NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
15791 | 1yxr | 6573 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HT1 MET 1 19.332 -2.780 -2.778 2 2H MET 1 HT2 MET 1 20.786 -3.149 -1.944 3 3H MET 1 HT3 MET 1 19.790 -4.414 -2.540 4 HA MET 1 HA MET 1 21.458 -2.517 -4.025 5 1HB MET 1 HB2 MET 1 21.510 -5.330 -3.254 6 2HB MET 1 HB1 MET 1 21.722 -5.111 -4.985 7 1HG MET 1 HG2 MET 1 23.322 -3.320 -3.298 8 2HG MET 1 HG1 MET 1 23.719 -5.032 -3.171 9 1HE MET 1 HE1 MET 1 25.596 -5.964 -4.621 10 2HE MET 1 HE2 MET 1 25.399 -5.950 -6.373 11 3HE MET 1 HE3 MET 1 24.098 -6.550 -5.344 12 H THR 2 HN THR 2 19.165 -5.202 -4.560 13 HA THR 2 HA THR 2 18.372 -3.905 -7.079 14 HB THR 2 HB THR 2 17.458 -6.197 -7.652 15 HG1 THR 2 HG1 THR 2 17.696 -7.774 -6.287 16 1HG2 THR 2 HG21 THR 2 19.634 -5.428 -8.515 17 2HG2 THR 2 HG22 THR 2 19.562 -7.172 -8.261 18 3HG2 THR 2 HG23 THR 2 20.415 -6.147 -7.107 19 H THR 3 HN THR 3 16.337 -3.216 -7.357 20 HA THR 3 HA THR 3 14.519 -3.364 -5.108 21 HB THR 3 HB THR 3 14.050 -2.038 -7.780 22 HG1 THR 3 HG1 THR 3 14.894 -0.176 -6.802 23 1HG2 THR 3 HG21 THR 3 12.825 -1.692 -5.068 24 2HG2 THR 3 HG22 THR 3 12.028 -2.039 -6.603 25 3HG2 THR 3 HG23 THR 3 12.734 -0.449 -6.315 26 H SER 4 HN SER 4 12.817 -4.677 -4.927 27 HA SER 4 HA SER 4 12.053 -6.272 -7.284 28 1HB SER 4 HB2 SER 4 12.366 -6.969 -4.401 29 2HB SER 4 HB1 SER 4 11.101 -7.791 -5.314 30 HG SER 4 HG SER 4 12.852 -9.029 -5.639 31 H THR 5 HN THR 5 9.719 -7.289 -6.738 32 HA THR 5 HA THR 5 7.933 -5.062 -6.849 33 HB THR 5 HB THR 5 7.227 -7.991 -6.611 34 HG1 THR 5 HG1 THR 5 7.638 -6.484 -8.974 35 1HG2 THR 5 HG21 THR 5 5.678 -5.975 -8.163 36 2HG2 THR 5 HG22 THR 5 5.436 -6.126 -6.422 37 3HG2 THR 5 HG23 THR 5 5.156 -7.513 -7.475 38 H LEU 6 HN LEU 6 8.681 -7.545 -4.456 39 HA LEU 6 HA LEU 6 6.621 -6.755 -2.638 40 1HB LEU 6 HB2 LEU 6 8.073 -8.987 -2.874 41 2HB LEU 6 HB1 LEU 6 9.037 -8.175 -1.654 42 HG LEU 6 HG LEU 6 6.596 -7.890 -0.551 43 1HD1 LEU 6 HD11 LEU 6 5.160 -9.053 -1.862 44 2HD1 LEU 6 HD12 LEU 6 5.738 -10.390 -0.872 45 3HD1 LEU 6 HD13 LEU 6 6.415 -10.120 -2.479 46 1HD2 LEU 6 HD21 LEU 6 8.321 -10.350 -0.314 47 2HD2 LEU 6 HD22 LEU 6 7.172 -9.758 0.884 48 3HD2 LEU 6 HD23 LEU 6 8.615 -8.818 0.503 49 H GLN 7 HN GLN 7 10.004 -5.942 -3.088 50 HA GLN 7 HA GLN 7 10.376 -4.602 -0.622 51 1HB GLN 7 HB2 GLN 7 12.012 -5.349 -2.681 52 2HB GLN 7 HB1 GLN 7 11.939 -3.607 -2.907 53 1HG GLN 7 HG2 GLN 7 12.473 -4.664 -0.182 54 2HG GLN 7 HG1 GLN 7 13.762 -4.722 -1.382 55 1HE2 GLN 7 HE21 GLN 7 12.193 -2.844 0.909 56 2HE2 GLN 7 HE22 GLN 7 12.889 -1.314 0.511 57 H LYS 8 HN LYS 8 9.244 -3.562 -3.789 58 HA LYS 8 HA LYS 8 9.263 -0.781 -3.246 59 1HB LYS 8 HB2 LYS 8 8.068 -2.545 -5.323 60 2HB LYS 8 HB1 LYS 8 7.400 -0.928 -5.150 61 1HG LYS 8 HG2 LYS 8 9.690 -0.012 -5.431 62 2HG LYS 8 HG1 LYS 8 10.258 -1.651 -5.754 63 1HD LYS 8 HD2 LYS 8 8.531 -1.738 -7.605 64 2HD LYS 8 HD1 LYS 8 8.328 -0.001 -7.370 65 1HE LYS 8 HE2 LYS 8 9.986 0.228 -8.851 66 2HE LYS 8 HE1 LYS 8 11.054 -0.273 -7.541 67 1HZ LYS 8 HZ1 LYS 8 11.225 -1.510 -9.738 68 2HZ LYS 8 HZ2 LYS 8 9.762 -2.248 -9.321 69 3HZ LYS 8 HZ3 LYS 8 11.121 -2.449 -8.334 70 H ALA 9 HN ALA 9 6.978 -3.341 -2.612 71 HA ALA 9 HA ALA 9 4.731 -1.687 -2.077 72 1HB ALA 9 HB1 ALA 9 4.868 -4.244 -2.548 73 2HB ALA 9 HB2 ALA 9 3.623 -3.615 -1.469 74 3HB ALA 9 HB3 ALA 9 5.072 -4.365 -0.800 75 H ILE 10 HN ILE 10 7.391 -2.893 -0.130 76 HA ILE 10 HA ILE 10 6.269 -2.144 2.386 77 HB ILE 10 HB ILE 10 9.188 -2.566 1.744 78 1HG1 ILE 10 HG12 ILE 10 7.310 -4.659 2.822 79 2HG1 ILE 10 HG11 ILE 10 7.557 -4.451 1.092 80 1HG2 ILE 10 HG21 ILE 10 9.250 -3.261 4.154 81 2HG2 ILE 10 HG22 ILE 10 7.606 -2.641 4.304 82 3HG2 ILE 10 HG23 ILE 10 8.925 -1.550 3.879 83 1HD1 ILE 10 HD11 ILE 10 9.752 -5.166 1.192 84 2HD1 ILE 10 HD12 ILE 10 8.941 -6.211 2.358 85 3HD1 ILE 10 HD13 ILE 10 9.888 -4.833 2.919 86 H ASP 11 HN ASP 11 8.330 -0.573 0.019 87 HA ASP 11 HA ASP 11 8.944 1.660 1.731 88 1HB ASP 11 HB2 ASP 11 9.601 0.837 -1.046 89 2HB ASP 11 HB1 ASP 11 9.635 2.564 -0.703 90 H LEU 12 HN LEU 12 6.563 0.882 -0.700 91 HA LEU 12 HA LEU 12 5.659 3.514 -1.208 92 1HB LEU 12 HB2 LEU 12 4.767 0.781 -1.799 93 2HB LEU 12 HB1 LEU 12 3.460 1.940 -1.651 94 HG LEU 12 HG LEU 12 4.212 1.659 -3.978 95 1HD1 LEU 12 HD11 LEU 12 5.098 4.406 -3.390 96 2HD1 LEU 12 HD12 LEU 12 3.523 3.948 -2.742 97 3HD1 LEU 12 HD13 LEU 12 3.834 3.824 -4.474 98 1HD2 LEU 12 HD21 LEU 12 6.444 1.211 -4.053 99 2HD2 LEU 12 HD22 LEU 12 6.829 2.340 -2.754 100 3HD2 LEU 12 HD23 LEU 12 6.493 2.944 -4.376 101 H VAL 13 HN VAL 13 4.801 1.093 1.196 102 HA VAL 13 HA VAL 13 2.551 2.555 2.210 103 HB VAL 13 HB VAL 13 2.623 0.931 4.088 104 1HG1 VAL 13 HG11 VAL 13 1.412 0.465 1.981 105 2HG1 VAL 13 HG12 VAL 13 1.981 -0.996 2.790 106 3HG1 VAL 13 HG13 VAL 13 2.841 -0.376 1.380 107 1HG2 VAL 13 HG21 VAL 13 4.892 -0.393 2.622 108 2HG2 VAL 13 HG22 VAL 13 4.226 -0.802 4.203 109 3HG2 VAL 13 HG23 VAL 13 5.141 0.691 3.991 110 H THR 14 HN THR 14 5.967 2.386 2.922 111 HA THR 14 HA THR 14 5.834 3.663 5.465 112 HB THR 14 HB THR 14 8.212 3.627 3.610 113 HG1 THR 14 HG1 THR 14 7.741 1.529 3.713 114 1HG2 THR 14 HG21 THR 14 9.345 3.234 5.898 115 2HG2 THR 14 HG22 THR 14 7.863 3.930 6.555 116 3HG2 THR 14 HG23 THR 14 8.858 4.865 5.439 117 H LYS 15 HN LYS 15 6.209 4.785 2.156 118 HA LYS 15 HA LYS 15 6.853 7.477 2.850 119 1HB LYS 15 HB2 LYS 15 6.675 5.924 0.472 120 2HB LYS 15 HB1 LYS 15 5.667 7.348 0.256 121 1HG LYS 15 HG2 LYS 15 7.561 8.335 -0.390 122 2HG LYS 15 HG1 LYS 15 7.912 8.437 1.337 123 1HD LYS 15 HD2 LYS 15 8.685 5.855 0.459 124 2HD LYS 15 HD1 LYS 15 9.326 7.023 -0.699 125 1HE LYS 15 HE2 LYS 15 9.632 7.732 2.146 126 2HE LYS 15 HE1 LYS 15 10.564 6.339 1.600 127 1HZ LYS 15 HZ1 LYS 15 11.932 8.194 1.265 128 2HZ LYS 15 HZ2 LYS 15 10.685 9.120 0.596 129 3HZ LYS 15 HZ3 LYS 15 11.334 7.823 -0.274 130 H ALA 16 HN ALA 16 3.895 5.699 2.341 131 HA ALA 16 HA ALA 16 2.210 7.997 2.085 132 1HB ALA 16 HB1 ALA 16 0.738 5.733 2.999 133 2HB ALA 16 HB2 ALA 16 1.924 5.198 1.810 134 3HB ALA 16 HB3 ALA 16 0.767 6.461 1.393 135 H THR 17 HN THR 17 2.970 5.751 4.730 136 HA THR 17 HA THR 17 1.245 6.820 6.649 137 HB THR 17 HB THR 17 2.314 4.693 7.018 138 HG1 THR 17 HG1 THR 17 1.978 5.395 8.987 139 1HG2 THR 17 HG21 THR 17 4.928 6.171 7.193 140 2HG2 THR 17 HG22 THR 17 4.442 5.079 5.897 141 3HG2 THR 17 HG23 THR 17 4.672 4.459 7.532 142 H GLU 18 HN GLU 18 4.611 7.645 5.891 143 HA GLU 18 HA GLU 18 4.888 9.591 7.932 144 1HB GLU 18 HB2 GLU 18 6.902 10.285 6.735 145 2HB GLU 18 HB1 GLU 18 6.820 8.533 6.856 146 1HG GLU 18 HG2 GLU 18 5.907 8.488 4.538 147 2HG GLU 18 HG1 GLU 18 6.217 10.221 4.442 148 H GLU 19 HN GLU 19 3.810 9.723 4.588 149 HA GLU 19 HA GLU 19 3.778 12.542 4.345 150 1HB GLU 19 HB2 GLU 19 2.595 10.258 2.842 151 2HB GLU 19 HB1 GLU 19 1.935 11.862 2.551 152 1HG GLU 19 HG2 GLU 19 4.879 11.330 2.404 153 2HG GLU 19 HG1 GLU 19 3.812 11.035 1.032 154 H ASP 20 HN ASP 20 1.352 10.186 5.368 155 HA ASP 20 HA ASP 20 -0.887 11.812 5.484 156 1HB ASP 20 HB2 ASP 20 -0.308 9.221 6.202 157 2HB ASP 20 HB1 ASP 20 -0.661 9.969 7.756 158 H LYS 21 HN LYS 21 1.744 11.461 7.803 159 HA LYS 21 HA LYS 21 0.525 13.118 9.793 160 1HB LYS 21 HB2 LYS 21 3.236 11.903 9.414 161 2HB LYS 21 HB1 LYS 21 3.004 13.146 10.636 162 1HG LYS 21 HG2 LYS 21 1.933 11.756 12.019 163 2HG LYS 21 HG1 LYS 21 0.996 11.026 10.714 164 1HD LYS 21 HD2 LYS 21 2.804 9.576 10.132 165 2HD LYS 21 HD1 LYS 21 3.904 10.421 11.223 166 1HE LYS 21 HE2 LYS 21 1.467 9.360 12.478 167 2HE LYS 21 HE1 LYS 21 2.569 8.141 11.842 168 1HZ LYS 21 HZ1 LYS 21 3.286 10.295 13.757 169 2HZ LYS 21 HZ2 LYS 21 4.353 9.136 13.141 170 3HZ LYS 21 HZ3 LYS 21 3.074 8.660 14.140 171 H ALA 22 HN ALA 22 2.313 13.712 6.922 172 HA ALA 22 HA ALA 22 3.068 16.405 7.769 173 1HB ALA 22 HB1 ALA 22 3.664 14.952 5.195 174 2HB ALA 22 HB2 ALA 22 4.739 15.066 6.588 175 3HB ALA 22 HB3 ALA 22 4.315 16.517 5.680 176 H LYS 23 HN LYS 23 0.249 15.598 7.312 177 HA LYS 23 HA LYS 23 -1.649 16.424 6.371 178 1HB LYS 23 HB2 LYS 23 -0.388 18.549 7.164 179 2HB LYS 23 HB1 LYS 23 -0.081 18.815 5.453 180 1HG LYS 23 HG2 LYS 23 -2.177 19.483 5.054 181 2HG LYS 23 HG1 LYS 23 -2.877 18.234 6.086 182 1HD LYS 23 HD2 LYS 23 -2.209 19.579 8.068 183 2HD LYS 23 HD1 LYS 23 -1.668 20.853 6.973 184 1HE LYS 23 HE2 LYS 23 -4.136 20.515 6.022 185 2HE LYS 23 HE1 LYS 23 -4.413 19.985 7.680 186 1HZ LYS 23 HZ1 LYS 23 -3.439 22.102 8.432 187 2HZ LYS 23 HZ2 LYS 23 -4.840 22.322 7.509 188 3HZ LYS 23 HZ3 LYS 23 -3.321 22.609 6.822 189 H ASN 24 HN ASN 24 0.118 14.787 4.735 190 HA ASN 24 HA ASN 24 -0.480 15.847 2.055 191 1HB ASN 24 HB2 ASN 24 1.723 14.179 3.142 192 2HB ASN 24 HB1 ASN 24 1.167 13.790 1.517 193 1HD2 ASN 24 HD21 ASN 24 3.026 15.873 3.432 194 2HD2 ASN 24 HD22 ASN 24 3.484 16.991 2.197 195 H TYR 25 HN TYR 25 -2.613 14.814 3.392 196 HA TYR 25 HA TYR 25 -3.144 12.111 3.236 197 1HB TYR 25 HB2 TYR 25 -5.027 14.430 2.768 198 2HB TYR 25 HB1 TYR 25 -5.542 12.768 3.029 199 HD1 TYR 25 HD1 TYR 25 -3.933 15.691 4.603 200 HD2 TYR 25 HD2 TYR 25 -5.585 11.819 5.219 201 HE1 TYR 25 HE1 TYR 25 -3.909 16.073 7.032 202 HE2 TYR 25 HE2 TYR 25 -5.567 12.191 7.650 203 HH TYR 25 HH TYR 25 -5.576 14.711 9.126 204 H GLU 26 HN GLU 26 -3.189 14.517 0.681 205 HA GLU 26 HA GLU 26 -4.498 12.972 -1.282 206 1HB GLU 26 HB2 GLU 26 -2.729 15.379 -1.314 207 2HB GLU 26 HB1 GLU 26 -3.055 14.555 -2.832 208 1HG GLU 26 HG2 GLU 26 -5.450 15.047 -1.248 209 2HG GLU 26 HG1 GLU 26 -4.593 16.517 -1.709 210 H GLU 27 HN GLU 27 -1.045 13.470 -0.600 211 HA GLU 27 HA GLU 27 -0.103 11.788 -2.667 212 1HB GLU 27 HB2 GLU 27 1.103 13.560 -1.080 213 2HB GLU 27 HB1 GLU 27 1.495 12.104 -0.175 214 1HG GLU 27 HG2 GLU 27 3.245 11.906 -1.522 215 2HG GLU 27 HG1 GLU 27 2.099 11.409 -2.765 216 H ALA 28 HN ALA 28 -0.867 11.214 0.734 217 HA ALA 28 HA ALA 28 0.141 8.617 0.960 218 1HB ALA 28 HB1 ALA 28 -1.325 8.376 2.877 219 2HB ALA 28 HB2 ALA 28 -2.270 9.772 2.358 220 3HB ALA 28 HB3 ALA 28 -0.595 9.982 2.869 221 H LEU 29 HN LEU 29 -2.839 9.814 -0.429 222 HA LEU 29 HA LEU 29 -4.239 7.369 -0.548 223 1HB LEU 29 HB2 LEU 29 -5.187 9.681 -0.887 224 2HB LEU 29 HB1 LEU 29 -4.476 9.663 -2.490 225 HG LEU 29 HG LEU 29 -5.861 7.413 -2.703 226 1HD1 LEU 29 HD11 LEU 29 -7.838 7.324 -1.464 227 2HD1 LEU 29 HD12 LEU 29 -7.658 8.979 -0.884 228 3HD1 LEU 29 HD13 LEU 29 -6.598 7.710 -0.272 229 1HD2 LEU 29 HD21 LEU 29 -7.429 8.595 -3.951 230 2HD2 LEU 29 HD22 LEU 29 -6.021 9.658 -3.952 231 3HD2 LEU 29 HD23 LEU 29 -7.377 9.992 -2.875 232 H ARG 30 HN ARG 30 -2.003 8.943 -2.789 233 HA ARG 30 HA ARG 30 -2.297 6.906 -4.797 234 1HB ARG 30 HB2 ARG 30 -0.340 9.183 -4.479 235 2HB ARG 30 HB1 ARG 30 -0.333 8.085 -5.851 236 1HG ARG 30 HG2 ARG 30 -2.717 9.742 -5.068 237 2HG ARG 30 HG1 ARG 30 -1.496 10.267 -6.229 238 1HD ARG 30 HD2 ARG 30 -2.074 7.834 -7.223 239 2HD ARG 30 HD1 ARG 30 -3.626 8.241 -6.494 240 HE ARG 30 HE ARG 30 -3.941 9.826 -8.119 241 1HH1 ARG 30 HH11 ARG 30 -0.597 8.824 -8.139 242 2HH1 ARG 30 HH12 ARG 30 -0.221 9.675 -9.600 243 1HH2 ARG 30 HH21 ARG 30 -3.448 10.945 -10.040 244 2HH2 ARG 30 HH22 ARG 30 -1.839 10.879 -10.670 245 H LEU 31 HN LEU 31 -0.109 7.572 -2.148 246 HA LEU 31 HA LEU 31 1.899 5.706 -2.916 247 1HB LEU 31 HB2 LEU 31 1.293 7.366 -0.548 248 2HB LEU 31 HB1 LEU 31 2.235 5.919 -0.240 249 HG LEU 31 HG LEU 31 3.606 7.964 -0.609 250 1HD1 LEU 31 HD11 LEU 31 5.286 6.808 -1.633 251 2HD1 LEU 31 HD12 LEU 31 4.224 6.141 -2.873 252 3HD1 LEU 31 HD13 LEU 31 4.199 5.476 -1.240 253 1HD2 LEU 31 HD21 LEU 31 3.221 7.849 -3.520 254 2HD2 LEU 31 HD22 LEU 31 3.489 9.234 -2.461 255 3HD2 LEU 31 HD23 LEU 31 1.876 8.537 -2.610 256 H TYR 32 HN TYR 32 -0.743 5.575 -0.534 257 HA TYR 32 HA TYR 32 -0.256 2.921 0.288 258 1HB TYR 32 HB2 TYR 32 -2.420 4.906 0.623 259 2HB TYR 32 HB1 TYR 32 -2.905 3.222 0.788 260 HD1 TYR 32 HD1 TYR 32 -0.821 1.896 2.168 261 HD2 TYR 32 HD2 TYR 32 -2.167 5.900 2.683 262 HE1 TYR 32 HE1 TYR 32 0.023 1.876 4.477 263 HE2 TYR 32 HE2 TYR 32 -1.326 5.891 4.994 264 HH TYR 32 HH TYR 32 -0.843 4.093 6.771 265 H GLN 33 HN GLN 33 -2.309 4.295 -2.232 266 HA GLN 33 HA GLN 33 -3.635 1.899 -2.929 267 1HB GLN 33 HB2 GLN 33 -3.188 4.530 -4.288 268 2HB GLN 33 HB1 GLN 33 -3.882 3.193 -5.194 269 1HG GLN 33 HG2 GLN 33 -5.194 3.518 -2.647 270 2HG GLN 33 HG1 GLN 33 -5.225 5.012 -3.581 271 1HE2 GLN 33 HE21 GLN 33 -7.414 4.915 -3.974 272 2HE2 GLN 33 HE22 GLN 33 -8.124 3.755 -5.039 273 H HIS 34 HN HIS 34 -0.662 3.415 -4.088 274 HA HIS 34 HA HIS 34 -0.188 1.642 -6.231 275 1HB HIS 34 HB2 HIS 34 1.334 3.703 -4.774 276 2HB HIS 34 HB1 HIS 34 2.318 2.443 -5.511 277 HD1 HIS 34 HD1 HIS 34 2.708 2.600 -7.983 278 HD2 HIS 34 HD2 HIS 34 -0.296 5.156 -6.677 279 HE1 HIS 34 HE1 HIS 34 2.142 4.040 -9.965 280 HE2 HIS 34 HE2 HIS 34 0.263 5.521 -9.176 281 H ALA 35 HN ALA 35 0.838 1.605 -2.843 282 HA ALA 35 HA ALA 35 2.573 -0.580 -2.961 283 1HB ALA 35 HB1 ALA 35 1.759 1.119 -1.004 284 2HB ALA 35 HB2 ALA 35 2.732 -0.327 -0.737 285 3HB ALA 35 HB3 ALA 35 0.984 -0.384 -0.503 286 H VAL 36 HN VAL 36 -0.931 -0.456 -2.489 287 HA VAL 36 HA VAL 36 -1.314 -3.187 -1.924 288 HB VAL 36 HB VAL 36 -3.284 -1.355 -3.296 289 1HG1 VAL 36 HG11 VAL 36 -4.871 -2.904 -2.920 290 2HG1 VAL 36 HG12 VAL 36 -4.191 -3.372 -1.361 291 3HG1 VAL 36 HG13 VAL 36 -3.505 -4.018 -2.852 292 1HG2 VAL 36 HG21 VAL 36 -3.517 -1.728 -0.400 293 2HG2 VAL 36 HG22 VAL 36 -3.696 -0.270 -1.376 294 3HG2 VAL 36 HG23 VAL 36 -2.090 -0.823 -0.903 295 H GLU 37 HN GLU 37 -0.951 -1.435 -4.927 296 HA GLU 37 HA GLU 37 -1.925 -3.484 -6.640 297 1HB GLU 37 HB2 GLU 37 0.015 -1.256 -7.281 298 2HB GLU 37 HB1 GLU 37 -0.909 -2.197 -8.443 299 1HG GLU 37 HG2 GLU 37 -2.668 -1.020 -6.508 300 2HG GLU 37 HG1 GLU 37 -1.631 0.214 -7.222 301 H TYR 38 HN TYR 38 1.263 -2.654 -5.382 302 HA TYR 38 HA TYR 38 2.674 -4.553 -6.978 303 1HB TYR 38 HB2 TYR 38 3.364 -2.879 -4.585 304 2HB TYR 38 HB1 TYR 38 4.466 -4.140 -5.129 305 HD1 TYR 38 HD1 TYR 38 3.213 -0.807 -5.724 306 HD2 TYR 38 HD2 TYR 38 5.427 -4.010 -7.439 307 HE1 TYR 38 HE1 TYR 38 4.143 0.739 -7.394 308 HE2 TYR 38 HE2 TYR 38 6.365 -2.473 -9.113 309 HH TYR 38 HH TYR 38 6.241 0.836 -8.846 310 H PHE 39 HN PHE 39 1.130 -4.619 -3.840 311 HA PHE 39 HA PHE 39 2.306 -7.005 -2.887 312 1HB PHE 39 HB2 PHE 39 -0.134 -5.424 -2.185 313 2HB PHE 39 HB1 PHE 39 0.059 -7.040 -1.514 314 HD1 PHE 39 HD1 PHE 39 0.512 -3.725 -0.805 315 HD2 PHE 39 HD2 PHE 39 2.624 -7.415 -0.644 316 HE1 PHE 39 HE1 PHE 39 1.966 -2.811 0.957 317 HE2 PHE 39 HE2 PHE 39 4.082 -6.509 1.119 318 HZ PHE 39 HZ PHE 39 3.753 -4.204 1.922 319 H LEU 40 HN LEU 40 -0.877 -6.423 -4.387 320 HA LEU 40 HA LEU 40 -1.700 -9.089 -4.484 321 1HB LEU 40 HB2 LEU 40 -2.433 -6.607 -5.960 322 2HB LEU 40 HB1 LEU 40 -3.007 -8.140 -6.588 323 HG LEU 40 HG LEU 40 -3.789 -8.453 -4.060 324 1HD1 LEU 40 HD11 LEU 40 -2.783 -6.215 -3.475 325 2HD1 LEU 40 HD12 LEU 40 -4.469 -6.447 -3.014 326 3HD1 LEU 40 HD13 LEU 40 -4.068 -5.484 -4.436 327 1HD2 LEU 40 HD21 LEU 40 -5.298 -8.646 -5.886 328 2HD2 LEU 40 HD22 LEU 40 -5.187 -6.922 -6.241 329 3HD2 LEU 40 HD23 LEU 40 -5.987 -7.469 -4.768 330 H HIS 41 HN HIS 41 0.024 -7.150 -6.909 331 HA HIS 41 HA HIS 41 0.120 -9.084 -8.929 332 1HB HIS 41 HB2 HIS 41 0.743 -6.595 -9.041 333 2HB HIS 41 HB1 HIS 41 2.322 -7.088 -8.437 334 HD1 HIS 41 HD1 HIS 41 0.892 -6.226 -11.470 335 HD2 HIS 41 HD2 HIS 41 3.175 -9.484 -10.270 336 HE1 HIS 41 HE1 HIS 41 1.880 -7.170 -13.580 337 HE2 HIS 41 HE2 HIS 41 3.334 -9.081 -12.820 338 H ALA 42 HN ALA 42 2.139 -8.588 -6.104 339 HA ALA 42 HA ALA 42 4.242 -10.320 -6.853 340 1HB ALA 42 HB1 ALA 42 4.985 -10.160 -4.595 341 2HB ALA 42 HB2 ALA 42 3.386 -9.668 -4.042 342 3HB ALA 42 HB3 ALA 42 4.344 -8.587 -5.054 343 H ILE 43 HN ILE 43 1.131 -10.840 -5.339 344 HA ILE 43 HA ILE 43 1.700 -13.530 -4.507 345 HB ILE 43 HB ILE 43 -1.012 -12.240 -4.826 346 1HG1 ILE 43 HG12 ILE 43 0.557 -12.370 -2.260 347 2HG1 ILE 43 HG11 ILE 43 0.718 -11.010 -3.359 348 1HG2 ILE 43 HG21 ILE 43 -0.740 -14.770 -4.519 349 2HG2 ILE 43 HG22 ILE 43 -1.840 -13.930 -3.433 350 3HG2 ILE 43 HG23 ILE 43 -0.231 -14.380 -2.877 351 1HD1 ILE 43 HD11 ILE 43 -2.026 -11.370 -3.025 352 2HD1 ILE 43 HD12 ILE 43 -1.016 -10.090 -2.342 353 3HD1 ILE 43 HD13 ILE 43 -1.320 -11.560 -1.421 354 H LYS 44 HN LYS 44 -0.114 -12.030 -7.164 355 HA LYS 44 HA LYS 44 -1.116 -14.370 -8.316 356 1HB LYS 44 HB2 LYS 44 -1.460 -11.780 -8.847 357 2HB LYS 44 HB1 LYS 44 -0.291 -12.140 -10.100 358 1HG LYS 44 HG2 LYS 44 -2.058 -14.200 -10.370 359 2HG LYS 44 HG1 LYS 44 -3.112 -12.880 -9.883 360 1HD LYS 44 HD2 LYS 44 -3.006 -11.990 -11.920 361 2HD LYS 44 HD1 LYS 44 -1.244 -11.930 -11.830 362 1HE LYS 44 HE2 LYS 44 -2.559 -14.540 -12.410 363 2HE LYS 44 HE1 LYS 44 -2.488 -13.330 -13.690 364 1HZ LYS 44 HZ1 LYS 44 -0.082 -14.140 -12.170 365 2HZ LYS 44 HZ2 LYS 44 -0.163 -13.340 -13.660 366 3HZ LYS 44 HZ3 LYS 44 -0.590 -14.980 -13.550 367 H TYR 45 HN TYR 45 1.829 -12.550 -9.165 368 HA TYR 45 HA TYR 45 2.717 -14.610 -10.960 369 1HB TYR 45 HB2 TYR 45 3.872 -12.010 -9.994 370 2HB TYR 45 HB1 TYR 45 4.868 -13.150 -10.890 371 HD1 TYR 45 HD1 TYR 45 1.528 -11.480 -11.130 372 HD2 TYR 45 HD2 TYR 45 4.964 -12.910 -13.190 373 HE1 TYR 45 HE1 TYR 45 0.632 -10.580 -13.230 374 HE2 TYR 45 HE2 TYR 45 4.078 -12.020 -15.300 375 HH TYR 45 HH TYR 45 2.502 -10.290 -16.050 376 H GLU 46 HN GLU 46 4.237 -13.200 -8.059 377 HA GLU 46 HA GLU 46 5.794 -15.630 -7.699 378 1HB GLU 46 HB2 GLU 46 5.794 -12.910 -6.422 379 2HB GLU 46 HB1 GLU 46 6.636 -14.250 -5.655 380 1HG GLU 46 HG2 GLU 46 7.633 -14.480 -8.119 381 2HG GLU 46 HG1 GLU 46 7.286 -12.750 -8.116 382 H ALA 47 HN ALA 47 4.051 -17.060 -7.198 383 HA ALA 47 HA ALA 47 2.554 -16.580 -4.753 384 1HB ALA 47 HB1 ALA 47 2.434 -19.120 -6.325 385 2HB ALA 47 HB2 ALA 47 1.661 -17.660 -6.929 386 3HB ALA 47 HB3 ALA 47 1.174 -18.330 -5.375 387 H HIS 48 HN HIS 48 3.262 -17.190 -2.827 388 HA HIS 48 HA HIS 48 5.321 -19.290 -2.676 389 1HB HIS 48 HB2 HIS 48 5.125 -16.700 -1.488 390 2HB HIS 48 HB1 HIS 48 5.066 -17.890 -0.198 391 HD1 HIS 48 HD1 HIS 48 7.191 -17.500 -3.343 392 HD2 HIS 48 HD2 HIS 48 7.560 -18.340 0.709 393 HE1 HIS 48 HE1 HIS 48 9.649 -17.850 -2.951 394 HE2 HIS 48 HE2 HIS 48 9.839 -18.450 -0.510 395 H SER 49 HN SER 49 5.138 -19.870 0.029 396 HA SER 49 HA SER 49 3.100 -21.810 0.060 397 1HB SER 49 HB2 SER 49 5.365 -21.340 1.541 398 2HB SER 49 HB1 SER 49 4.088 -20.980 2.704 399 HG SER 49 HG SER 49 4.957 -23.310 2.210 400 H ASP 50 HN ASP 50 1.581 -21.940 2.072 401 HA ASP 50 HA ASP 50 -0.405 -19.990 1.766 402 1HB ASP 50 HB2 ASP 50 -0.193 -22.470 3.025 403 2HB ASP 50 HB1 ASP 50 -0.551 -21.350 4.336 404 H LYS 51 HN LYS 51 2.208 -20.300 4.093 405 HA LYS 51 HA LYS 51 1.366 -18.380 5.952 406 1HB LYS 51 HB2 LYS 51 3.852 -19.780 5.302 407 2HB LYS 51 HB1 LYS 51 4.120 -18.170 5.959 408 1HG LYS 51 HG2 LYS 51 2.318 -19.040 7.722 409 2HG LYS 51 HG1 LYS 51 3.011 -20.590 7.246 410 1HD LYS 51 HD2 LYS 51 4.998 -18.500 7.755 411 2HD LYS 51 HD1 LYS 51 4.027 -18.930 9.165 412 1HE LYS 51 HE2 LYS 51 4.564 -21.330 8.683 413 2HE LYS 51 HE1 LYS 51 5.702 -20.770 7.463 414 1HZ LYS 51 HZ1 LYS 51 7.160 -20.070 9.016 415 2HZ LYS 51 HZ2 LYS 51 6.388 -21.230 9.976 416 3HZ LYS 51 HZ3 LYS 51 5.962 -19.600 10.115 417 H ALA 52 HN ALA 52 3.358 -18.040 3.035 418 HA ALA 52 HA ALA 52 3.733 -15.230 3.366 419 1HB ALA 52 HB1 ALA 52 5.059 -17.060 1.956 420 2HB ALA 52 HB2 ALA 52 5.094 -15.350 1.555 421 3HB ALA 52 HB3 ALA 52 4.018 -16.430 0.678 422 H LYS 53 HN LYS 53 1.574 -17.240 1.416 423 HA LYS 53 HA LYS 53 0.389 -15.210 -0.094 424 1HB LYS 53 HB2 LYS 53 0.191 -17.770 -0.325 425 2HB LYS 53 HB1 LYS 53 -1.122 -17.630 0.836 426 1HG LYS 53 HG2 LYS 53 -2.542 -16.880 -0.701 427 2HG LYS 53 HG1 LYS 53 -1.364 -15.740 -1.352 428 1HD LYS 53 HD2 LYS 53 -0.583 -17.220 -2.911 429 2HD LYS 53 HD1 LYS 53 -0.987 -18.630 -1.927 430 1HE LYS 53 HE2 LYS 53 -3.072 -18.780 -2.765 431 2HE LYS 53 HE1 LYS 53 -3.287 -17.030 -2.806 432 1HZ LYS 53 HZ1 LYS 53 -1.515 -17.310 -4.743 433 2HZ LYS 53 HZ2 LYS 53 -3.181 -17.410 -5.015 434 3HZ LYS 53 HZ3 LYS 53 -2.263 -18.820 -4.859 435 H GLU 54 HN GLU 54 -0.598 -16.630 3.009 436 HA GLU 54 HA GLU 54 -2.891 -14.990 3.324 437 1HB GLU 54 HB2 GLU 54 -1.266 -16.570 5.316 438 2HB GLU 54 HB1 GLU 54 -2.760 -15.740 5.723 439 1HG GLU 54 HG2 GLU 54 -2.815 -17.620 3.434 440 2HG GLU 54 HG1 GLU 54 -2.697 -18.300 5.057 441 H SER 55 HN SER 55 0.468 -14.700 4.329 442 HA SER 55 HA SER 55 0.163 -12.520 6.081 443 1HB SER 55 HB2 SER 55 2.566 -12.210 5.845 444 2HB SER 55 HB1 SER 55 2.201 -13.930 5.952 445 HG SER 55 HG SER 55 3.672 -12.960 4.176 446 H ILE 56 HN ILE 56 0.964 -12.630 2.620 447 HA ILE 56 HA ILE 56 1.123 -9.812 2.326 448 HB ILE 56 HB ILE 56 0.606 -11.830 0.148 449 1HG1 ILE 56 HG12 ILE 56 3.344 -10.810 0.664 450 2HG1 ILE 56 HG11 ILE 56 2.720 -11.990 1.809 451 1HG2 ILE 56 HG21 ILE 56 1.021 -10.210 -1.359 452 2HG2 ILE 56 HG22 ILE 56 2.216 -9.416 -0.334 453 3HG2 ILE 56 HG23 ILE 56 0.496 -9.157 -0.046 454 1HD1 ILE 56 HD11 ILE 56 3.945 -13.150 0.142 455 2HD1 ILE 56 HD12 ILE 56 3.081 -12.330 -1.154 456 3HD1 ILE 56 HD13 ILE 56 2.235 -13.480 -0.128 457 H ARG 57 HN ARG 57 -1.412 -12.200 1.705 458 HA ARG 57 HA ARG 57 -3.268 -10.510 0.476 459 1HB ARG 57 HB2 ARG 57 -3.295 -13.080 0.768 460 2HB ARG 57 HB1 ARG 57 -4.081 -12.750 2.306 461 1HG ARG 57 HG2 ARG 57 -5.943 -12.950 1.060 462 2HG ARG 57 HG1 ARG 57 -5.618 -11.260 0.701 463 1HD ARG 57 HD2 ARG 57 -4.613 -11.790 -1.376 464 2HD ARG 57 HD1 ARG 57 -4.551 -13.510 -0.979 465 HE ARG 57 HE ARG 57 -6.731 -13.720 -1.653 466 1HH1 ARG 57 HH11 ARG 57 -5.973 -10.330 -1.270 467 2HH1 ARG 57 HH12 ARG 57 -7.457 -9.795 -1.979 468 1HH2 ARG 57 HH21 ARG 57 -8.684 -13.010 -2.586 469 2HH2 ARG 57 HH22 ARG 57 -8.997 -11.310 -2.726 470 H ALA 58 HN ALA 58 -2.567 -11.090 3.870 471 HA ALA 58 HA ALA 58 -4.825 -9.622 4.842 472 1HB ALA 58 HB1 ALA 58 -3.797 -11.410 6.153 473 2HB ALA 58 HB2 ALA 58 -3.806 -9.888 7.035 474 3HB ALA 58 HB3 ALA 58 -2.317 -10.460 6.287 475 H LYS 59 HN LYS 59 -1.550 -8.857 3.943 476 HA LYS 59 HA LYS 59 -1.442 -6.339 5.297 477 1HB LYS 59 HB2 LYS 59 0.279 -7.864 3.444 478 2HB LYS 59 HB1 LYS 59 0.450 -6.116 3.365 479 1HG LYS 59 HG2 LYS 59 0.729 -6.191 5.894 480 2HG LYS 59 HG1 LYS 59 0.931 -7.934 5.700 481 1HD LYS 59 HD2 LYS 59 2.724 -7.352 3.972 482 2HD LYS 59 HD1 LYS 59 2.651 -5.715 4.627 483 1HE LYS 59 HE2 LYS 59 3.711 -6.292 6.530 484 2HE LYS 59 HE1 LYS 59 2.892 -7.850 6.633 485 1HZ LYS 59 HZ1 LYS 59 5.342 -7.955 6.240 486 2HZ LYS 59 HZ2 LYS 59 5.077 -7.291 4.707 487 3HZ LYS 59 HZ3 LYS 59 4.410 -8.795 5.104 488 H CYS 60 HN CYS 60 -2.014 -7.328 1.932 489 HA CYS 60 HA CYS 60 -2.296 -4.726 0.890 490 1HB CYS 60 HB2 CYS 60 -3.344 -5.820 -1.046 491 2HB CYS 60 HB1 CYS 60 -1.881 -6.659 -0.544 492 HG CYS 60 HG CYS 60 -4.707 -7.810 -0.507 493 H VAL 61 HN VAL 61 -4.661 -7.019 2.186 494 HA VAL 61 HA VAL 61 -6.959 -5.511 1.544 495 HB VAL 61 HB VAL 61 -7.069 -7.892 2.136 496 1HG1 VAL 61 HG11 VAL 61 -6.384 -6.938 4.913 497 2HG1 VAL 61 HG12 VAL 61 -5.410 -7.986 3.882 498 3HG1 VAL 61 HG13 VAL 61 -6.953 -8.559 4.514 499 1HG2 VAL 61 HG21 VAL 61 -9.097 -7.807 3.408 500 2HG2 VAL 61 HG22 VAL 61 -9.045 -6.388 2.362 501 3HG2 VAL 61 HG23 VAL 61 -8.670 -6.233 4.079 502 H GLN 62 HN GLN 62 -4.794 -5.490 4.317 503 HA GLN 62 HA GLN 62 -6.418 -3.817 5.948 504 1HB GLN 62 HB2 GLN 62 -4.126 -5.304 6.328 505 2HB GLN 62 HB1 GLN 62 -3.538 -3.651 6.438 506 1HG GLN 62 HG2 GLN 62 -4.307 -3.489 8.499 507 2HG GLN 62 HG1 GLN 62 -5.940 -3.849 7.942 508 1HE2 GLN 62 HE21 GLN 62 -6.853 -5.610 8.719 509 2HE2 GLN 62 HE22 GLN 62 -6.032 -6.947 9.441 510 H TYR 63 HN TYR 63 -3.793 -3.219 3.665 511 HA TYR 63 HA TYR 63 -3.572 -0.437 4.226 512 1HB TYR 63 HB2 TYR 63 -2.654 -2.149 1.919 513 2HB TYR 63 HB1 TYR 63 -2.365 -0.414 1.976 514 HD1 TYR 63 HD1 TYR 63 -0.777 -3.373 2.426 515 HD2 TYR 63 HD2 TYR 63 -1.487 0.245 4.550 516 HE1 TYR 63 HE1 TYR 63 1.254 -3.763 3.757 517 HE2 TYR 63 HE2 TYR 63 0.542 -0.135 5.887 518 HH TYR 63 HH TYR 63 2.224 -3.120 5.869 519 H LEU 64 HN LEU 64 -5.439 -2.343 1.937 520 HA LEU 64 HA LEU 64 -6.323 -0.250 0.288 521 1HB LEU 64 HB2 LEU 64 -6.926 -3.044 0.688 522 2HB LEU 64 HB1 LEU 64 -8.399 -2.135 0.413 523 HG LEU 64 HG LEU 64 -6.054 -1.823 -1.431 524 1HD1 LEU 64 HD11 LEU 64 -6.559 -4.236 -1.232 525 2HD1 LEU 64 HD12 LEU 64 -6.906 -3.583 -2.833 526 3HD1 LEU 64 HD13 LEU 64 -8.224 -3.896 -1.704 527 1HD2 LEU 64 HD21 LEU 64 -7.840 -1.268 -3.030 528 2HD2 LEU 64 HD22 LEU 64 -7.844 -0.203 -1.625 529 3HD2 LEU 64 HD23 LEU 64 -9.035 -1.497 -1.753 530 H ASP 65 HN ASP 65 -7.524 -1.482 3.354 531 HA ASP 65 HA ASP 65 -9.963 -0.021 3.338 532 1HB ASP 65 HB2 ASP 65 -9.113 -2.062 4.821 533 2HB ASP 65 HB1 ASP 65 -8.662 -0.759 5.917 534 H ARG 66 HN ARG 66 -6.722 0.639 4.548 535 HA ARG 66 HA ARG 66 -7.409 3.012 5.956 536 1HB ARG 66 HB2 ARG 66 -5.183 1.417 5.810 537 2HB ARG 66 HB1 ARG 66 -4.663 2.847 4.928 538 1HG ARG 66 HG2 ARG 66 -6.021 3.317 7.507 539 2HG ARG 66 HG1 ARG 66 -4.419 2.581 7.575 540 1HD ARG 66 HD2 ARG 66 -3.396 4.478 6.960 541 2HD ARG 66 HD1 ARG 66 -4.603 4.837 5.726 542 HE ARG 66 HE ARG 66 -5.638 6.225 7.211 543 1HH1 ARG 66 HH11 ARG 66 -3.546 4.071 8.988 544 2HH1 ARG 66 HH12 ARG 66 -3.801 4.871 10.502 545 1HH2 ARG 66 HH21 ARG 66 -5.976 7.278 9.201 546 2HH2 ARG 66 HH22 ARG 66 -5.181 6.691 10.624 547 H ALA 67 HN ALA 67 -6.033 2.405 2.740 548 HA ALA 67 HA ALA 67 -5.654 5.061 1.969 549 1HB ALA 67 HB1 ALA 67 -6.493 3.017 -0.036 550 2HB ALA 67 HB2 ALA 67 -4.968 2.816 0.827 551 3HB ALA 67 HB3 ALA 67 -5.246 4.258 -0.149 552 H GLU 68 HN GLU 68 -8.545 3.115 2.085 553 HA GLU 68 HA GLU 68 -10.130 4.777 0.403 554 1HB GLU 68 HB2 GLU 68 -10.600 2.484 2.224 555 2HB GLU 68 HB1 GLU 68 -11.980 3.529 1.904 556 1HG GLU 68 HG2 GLU 68 -11.080 3.170 -0.602 557 2HG GLU 68 HG1 GLU 68 -10.570 1.650 0.131 558 H LYS 69 HN LYS 69 -9.367 4.748 3.815 559 HA LYS 69 HA LYS 69 -11.410 6.593 4.580 560 1HB LYS 69 HB2 LYS 69 -10.210 4.919 6.087 561 2HB LYS 69 HB1 LYS 69 -8.865 6.044 6.091 562 1HG LYS 69 HG2 LYS 69 -11.070 7.609 6.722 563 2HG LYS 69 HG1 LYS 69 -11.320 6.102 7.605 564 1HD LYS 69 HD2 LYS 69 -10.050 7.278 9.119 565 2HD LYS 69 HD1 LYS 69 -8.793 6.418 8.235 566 1HE LYS 69 HE2 LYS 69 -8.121 8.312 7.091 567 2HE LYS 69 HE1 LYS 69 -9.671 9.122 7.318 568 1HZ LYS 69 HZ1 LYS 69 -9.151 9.484 9.615 569 2HZ LYS 69 HZ2 LYS 69 -7.868 10.064 8.679 570 3HZ LYS 69 HZ3 LYS 69 -7.721 8.589 9.493 571 H LEU 70 HN LEU 70 -8.082 6.845 3.535 572 HA LEU 70 HA LEU 70 -7.630 9.521 4.301 573 1HB LEU 70 HB2 LEU 70 -6.404 8.021 1.987 574 2HB LEU 70 HB1 LEU 70 -5.761 9.467 2.744 575 HG LEU 70 HG LEU 70 -6.050 6.784 4.099 576 1HD1 LEU 70 HD11 LEU 70 -3.398 7.973 3.616 577 2HD1 LEU 70 HD12 LEU 70 -4.241 7.360 2.193 578 3HD1 LEU 70 HD13 LEU 70 -3.920 6.289 3.557 579 1HD2 LEU 70 HD21 LEU 70 -4.857 9.398 5.006 580 2HD2 LEU 70 HD22 LEU 70 -4.608 7.857 5.827 581 3HD2 LEU 70 HD23 LEU 70 -6.229 8.543 5.711 582 H LYS 71 HN LYS 71 -9.040 8.076 1.419 583 HA LYS 71 HA LYS 71 -9.111 10.431 -0.146 584 1HB LYS 71 HB2 LYS 71 -9.590 7.825 -0.662 585 2HB LYS 71 HB1 LYS 71 -11.240 8.418 -0.554 586 1HG LYS 71 HG2 LYS 71 -10.160 10.302 -2.150 587 2HG LYS 71 HG1 LYS 71 -9.186 8.900 -2.598 588 1HD LYS 71 HD2 LYS 71 -11.520 7.708 -2.708 589 2HD LYS 71 HD1 LYS 71 -12.110 9.357 -2.904 590 1HE LYS 71 HE2 LYS 71 -10.130 9.424 -4.683 591 2HE LYS 71 HE1 LYS 71 -10.470 7.695 -4.727 592 1HZ LYS 71 HZ1 LYS 71 -11.860 8.548 -6.337 593 2HZ LYS 71 HZ2 LYS 71 -12.230 9.945 -5.456 594 3HZ LYS 71 HZ3 LYS 71 -12.900 8.461 -4.998 595 H ASP 72 HN ASP 72 -11.540 8.877 1.927 596 HA ASP 72 HA ASP 72 -13.590 10.756 1.456 597 1HB ASP 72 HB2 ASP 72 -13.430 8.370 2.776 598 2HB ASP 72 HB1 ASP 72 -13.560 9.500 4.121 599 H TYR 73 HN TYR 73 -10.840 10.754 3.601 600 HA TYR 73 HA TYR 73 -11.760 12.831 5.322 601 1HB TYR 73 HB2 TYR 73 -10.010 11.237 5.999 602 2HB TYR 73 HB1 TYR 73 -8.942 11.898 4.770 603 HD1 TYR 73 HD1 TYR 73 -8.256 14.342 4.972 604 HD2 TYR 73 HD2 TYR 73 -10.130 12.201 8.135 605 HE1 TYR 73 HE1 TYR 73 -7.439 16.014 6.579 606 HE2 TYR 73 HE2 TYR 73 -9.320 13.868 9.751 607 HH TYR 73 HH TYR 73 -6.982 16.240 8.930 608 H LEU 74 HN LEU 74 -9.480 12.773 2.594 609 HA LEU 74 HA LEU 74 -9.071 15.594 2.617 610 1HB LEU 74 HB2 LEU 74 -7.935 15.230 0.467 611 2HB LEU 74 HB1 LEU 74 -7.374 14.136 1.716 612 HG LEU 74 HG LEU 74 -9.188 12.531 0.631 613 1HD1 LEU 74 HD11 LEU 74 -8.824 14.697 -1.321 614 2HD1 LEU 74 HD12 LEU 74 -10.140 13.546 -1.130 615 3HD1 LEU 74 HD13 LEU 74 -8.672 13.063 -1.969 616 1HD2 LEU 74 HD21 LEU 74 -6.352 13.084 -0.074 617 2HD2 LEU 74 HD22 LEU 74 -7.249 11.911 -1.040 618 3HD2 LEU 74 HD23 LEU 74 -7.071 11.671 0.698 619 H ARG 75 HN ARG 75 -11.250 13.428 0.931 620 HA ARG 75 HA ARG 75 -12.170 15.265 -1.007 621 1HB ARG 75 HB2 ARG 75 -13.170 12.685 0.113 622 2HB ARG 75 HB1 ARG 75 -14.280 13.667 -0.834 623 1HG ARG 75 HG2 ARG 75 -12.040 13.648 -2.405 624 2HG ARG 75 HG1 ARG 75 -12.010 12.036 -1.687 625 1HD ARG 75 HD2 ARG 75 -14.010 11.422 -2.664 626 2HD ARG 75 HD1 ARG 75 -14.570 13.086 -2.798 627 HE ARG 75 HE ARG 75 -12.990 11.632 -4.708 628 1HH1 ARG 75 HH11 ARG 75 -13.860 14.805 -3.538 629 2HH1 ARG 75 HH12 ARG 75 -13.470 15.596 -5.030 630 1HH2 ARG 75 HH21 ARG 75 -12.490 12.672 -6.671 631 2HH2 ARG 75 HH22 ARG 75 -12.700 14.386 -6.808 632 H SER 76 HN SER 76 -13.420 14.367 2.194 633 HA SER 76 HA SER 76 -15.690 16.020 2.139 634 1HB SER 76 HB2 SER 76 -14.960 14.122 3.812 635 2HB SER 76 HB1 SER 76 -14.260 15.466 4.711 636 HG SER 76 HG SER 76 -16.960 14.946 4.098 637 H LYS 77 HN LYS 77 -12.420 16.584 3.386 638 HA LYS 77 HA LYS 77 -13.000 19.259 4.233 639 1HB LYS 77 HB2 LYS 77 -11.210 17.708 5.178 640 2HB LYS 77 HB1 LYS 77 -10.260 18.107 3.752 641 1HG LYS 77 HG2 LYS 77 -11.320 20.436 5.172 642 2HG LYS 77 HG1 LYS 77 -10.190 19.455 6.115 643 1HD LYS 77 HD2 LYS 77 -8.430 20.028 4.839 644 2HD LYS 77 HD1 LYS 77 -9.366 19.975 3.344 645 1HE LYS 77 HE2 LYS 77 -10.460 22.143 4.472 646 2HE LYS 77 HE1 LYS 77 -8.855 22.227 5.194 647 1HZ LYS 77 HZ1 LYS 77 -7.901 22.146 2.967 648 2HZ LYS 77 HZ2 LYS 77 -8.945 23.467 3.133 649 3HZ LYS 77 HZ3 LYS 77 -9.450 22.093 2.286 Start of MODEL 2 1 1H MET 1 HT1 MET 1 22.391 -5.903 -6.606 2 2H MET 1 HT2 MET 1 22.613 -6.754 -5.133 3 3H MET 1 HT3 MET 1 22.150 -5.102 -5.110 4 HA MET 1 HA MET 1 20.573 -7.395 -6.064 5 1HB MET 1 HB2 MET 1 20.974 -6.611 -3.531 6 2HB MET 1 HB1 MET 1 19.692 -5.488 -3.959 7 1HG MET 1 HG2 MET 1 18.824 -7.966 -4.888 8 2HG MET 1 HG1 MET 1 19.546 -8.289 -3.314 9 1HE MET 1 HE1 MET 1 16.722 -9.109 -3.200 10 2HE MET 1 HE2 MET 1 16.074 -8.181 -1.847 11 3HE MET 1 HE3 MET 1 17.705 -8.845 -1.759 12 H THR 2 HN THR 2 18.148 -6.458 -6.033 13 HA THR 2 HA THR 2 18.083 -3.881 -7.422 14 HB THR 2 HB THR 2 16.479 -4.934 -9.097 15 HG1 THR 2 HG1 THR 2 16.693 -7.171 -9.365 16 1HG2 THR 2 HG21 THR 2 18.152 -5.634 -10.590 17 2HG2 THR 2 HG22 THR 2 19.248 -6.071 -9.285 18 3HG2 THR 2 HG23 THR 2 18.879 -4.374 -9.598 19 H THR 3 HN THR 3 15.775 -3.150 -7.772 20 HA THR 3 HA THR 3 14.346 -3.478 -5.281 21 HB THR 3 HB THR 3 13.684 -1.781 -7.695 22 HG1 THR 3 HG1 THR 3 14.608 -0.114 -6.460 23 1HG2 THR 3 HG21 THR 3 12.339 -0.449 -6.159 24 2HG2 THR 3 HG22 THR 3 12.650 -1.617 -4.875 25 3HG2 THR 3 HG23 THR 3 11.729 -2.097 -6.300 26 H SER 4 HN SER 4 13.218 -5.327 -5.121 27 HA SER 4 HA SER 4 11.800 -6.419 -7.398 28 1HB SER 4 HB2 SER 4 12.636 -7.369 -4.753 29 2HB SER 4 HB1 SER 4 11.024 -7.916 -5.213 30 HG SER 4 HG SER 4 13.400 -8.218 -6.739 31 H THR 5 HN THR 5 9.497 -7.367 -6.662 32 HA THR 5 HA THR 5 7.797 -5.109 -6.489 33 HB THR 5 HB THR 5 6.887 -7.926 -5.966 34 HG1 THR 5 HG1 THR 5 7.497 -6.808 -8.498 35 1HG2 THR 5 HG21 THR 5 5.178 -6.194 -5.897 36 2HG2 THR 5 HG22 THR 5 4.950 -7.274 -7.273 37 3HG2 THR 5 HG23 THR 5 5.641 -5.669 -7.516 38 H LEU 6 HN LEU 6 9.019 -7.381 -4.133 39 HA LEU 6 HA LEU 6 7.171 -6.736 -2.067 40 1HB LEU 6 HB2 LEU 6 9.407 -8.490 -2.431 41 2HB LEU 6 HB1 LEU 6 9.607 -7.618 -0.923 42 HG LEU 6 HG LEU 6 8.479 -9.739 -0.548 43 1HD1 LEU 6 HD11 LEU 6 6.653 -7.365 -0.210 44 2HD1 LEU 6 HD12 LEU 6 7.909 -7.888 0.911 45 3HD1 LEU 6 HD13 LEU 6 6.495 -8.906 0.633 46 1HD2 LEU 6 HD21 LEU 6 6.592 -10.450 -1.637 47 2HD2 LEU 6 HD22 LEU 6 7.399 -9.571 -2.933 48 3HD2 LEU 6 HD23 LEU 6 6.075 -8.816 -2.045 49 H GLN 7 HN GLN 7 10.524 -5.730 -2.716 50 HA GLN 7 HA GLN 7 10.798 -4.019 -0.516 51 1HB GLN 7 HB2 GLN 7 12.474 -4.873 -2.446 52 2HB GLN 7 HB1 GLN 7 12.164 -3.244 -3.029 53 1HG GLN 7 HG2 GLN 7 14.045 -2.981 -1.719 54 2HG GLN 7 HG1 GLN 7 12.739 -2.509 -0.633 55 1HE2 GLN 7 HE21 GLN 7 13.161 -3.172 1.340 56 2HE2 GLN 7 HE22 GLN 7 13.818 -4.706 1.785 57 H LYS 8 HN LYS 8 9.357 -3.527 -3.670 58 HA LYS 8 HA LYS 8 9.174 -0.697 -3.518 59 1HB LYS 8 HB2 LYS 8 7.878 -2.810 -5.201 60 2HB LYS 8 HB1 LYS 8 7.271 -1.160 -5.256 61 1HG LYS 8 HG2 LYS 8 9.926 -0.734 -5.565 62 2HG LYS 8 HG1 LYS 8 9.741 -2.305 -6.349 63 1HD LYS 8 HD2 LYS 8 7.605 -0.964 -7.352 64 2HD LYS 8 HD1 LYS 8 8.772 0.347 -7.170 65 1HE LYS 8 HE2 LYS 8 10.323 -1.581 -8.278 66 2HE LYS 8 HE1 LYS 8 8.763 -1.942 -9.017 67 1HZ LYS 8 HZ1 LYS 8 8.670 0.487 -9.606 68 2HZ LYS 8 HZ2 LYS 8 9.831 -0.421 -10.430 69 3HZ LYS 8 HZ3 LYS 8 10.299 0.586 -9.158 70 H ALA 9 HN ALA 9 7.020 -3.336 -2.602 71 HA ALA 9 HA ALA 9 4.784 -1.710 -1.972 72 1HB ALA 9 HB1 ALA 9 3.738 -3.637 -1.372 73 2HB ALA 9 HB2 ALA 9 5.160 -4.290 -0.559 74 3HB ALA 9 HB3 ALA 9 5.056 -4.329 -2.318 75 H ILE 10 HN ILE 10 7.537 -2.880 -0.112 76 HA ILE 10 HA ILE 10 6.546 -2.012 2.419 77 HB ILE 10 HB ILE 10 9.425 -2.516 1.662 78 1HG1 ILE 10 HG12 ILE 10 7.663 -4.557 2.973 79 2HG1 ILE 10 HG11 ILE 10 7.622 -4.375 1.222 80 1HG2 ILE 10 HG21 ILE 10 7.966 -2.479 4.297 81 2HG2 ILE 10 HG22 ILE 10 9.261 -1.405 3.767 82 3HG2 ILE 10 HG23 ILE 10 9.601 -3.105 4.086 83 1HD1 ILE 10 HD11 ILE 10 9.167 -6.141 2.165 84 2HD1 ILE 10 HD12 ILE 10 10.180 -4.810 2.724 85 3HD1 ILE 10 HD13 ILE 10 9.866 -5.016 1.001 86 H ASP 11 HN ASP 11 8.437 -0.544 -0.130 87 HA ASP 11 HA ASP 11 9.242 1.716 1.463 88 1HB ASP 11 HB2 ASP 11 9.814 0.671 -1.186 89 2HB ASP 11 HB1 ASP 11 9.553 2.413 -1.223 90 H LEU 12 HN LEU 12 6.631 0.921 -0.709 91 HA LEU 12 HA LEU 12 5.727 3.581 -1.151 92 1HB LEU 12 HB2 LEU 12 4.739 0.853 -1.686 93 2HB LEU 12 HB1 LEU 12 3.498 2.079 -1.520 94 HG LEU 12 HG LEU 12 4.158 1.721 -3.863 95 1HD1 LEU 12 HD11 LEU 12 3.412 3.966 -2.888 96 2HD1 LEU 12 HD12 LEU 12 4.196 3.976 -4.469 97 3HD1 LEU 12 HD13 LEU 12 5.104 4.442 -3.030 98 1HD2 LEU 12 HD21 LEU 12 6.345 1.185 -4.073 99 2HD2 LEU 12 HD22 LEU 12 6.839 2.204 -2.720 100 3HD2 LEU 12 HD23 LEU 12 6.511 2.926 -4.296 101 H VAL 13 HN VAL 13 4.759 1.024 1.113 102 HA VAL 13 HA VAL 13 2.653 2.458 2.324 103 HB VAL 13 HB VAL 13 2.931 0.848 4.219 104 1HG1 VAL 13 HG11 VAL 13 1.656 0.441 2.020 105 2HG1 VAL 13 HG12 VAL 13 2.002 -0.943 3.057 106 3HG1 VAL 13 HG13 VAL 13 2.986 -0.648 1.623 107 1HG2 VAL 13 HG21 VAL 13 4.848 -0.787 2.705 108 2HG2 VAL 13 HG22 VAL 13 4.704 -0.521 4.442 109 3HG2 VAL 13 HG23 VAL 13 5.519 0.673 3.433 110 H THR 14 HN THR 14 6.103 2.473 2.812 111 HA THR 14 HA THR 14 6.032 3.767 5.366 112 HB THR 14 HB THR 14 8.339 3.706 3.418 113 HG1 THR 14 HG1 THR 14 8.156 1.625 3.656 114 1HG2 THR 14 HG21 THR 14 9.615 3.497 5.621 115 2HG2 THR 14 HG22 THR 14 8.136 4.091 6.378 116 3HG2 THR 14 HG23 THR 14 8.973 5.080 5.181 117 H LYS 15 HN LYS 15 6.208 4.811 2.024 118 HA LYS 15 HA LYS 15 6.858 7.529 2.606 119 1HB LYS 15 HB2 LYS 15 6.784 5.968 0.327 120 2HB LYS 15 HB1 LYS 15 5.443 7.078 0.089 121 1HG LYS 15 HG2 LYS 15 6.790 8.865 -0.173 122 2HG LYS 15 HG1 LYS 15 7.967 8.288 1.007 123 1HD LYS 15 HD2 LYS 15 8.238 6.444 -0.977 124 2HD LYS 15 HD1 LYS 15 7.856 7.898 -1.901 125 1HE LYS 15 HE2 LYS 15 9.890 8.734 -1.560 126 2HE LYS 15 HE1 LYS 15 9.774 8.467 0.179 127 1HZ LYS 15 HZ1 LYS 15 10.961 6.775 -1.887 128 2HZ LYS 15 HZ2 LYS 15 10.219 5.999 -0.580 129 3HZ LYS 15 HZ3 LYS 15 11.487 7.084 -0.308 130 H ALA 16 HN ALA 16 3.903 5.698 2.348 131 HA ALA 16 HA ALA 16 2.167 7.966 2.143 132 1HB ALA 16 HB1 ALA 16 1.075 5.446 3.214 133 2HB ALA 16 HB2 ALA 16 1.836 5.346 1.625 134 3HB ALA 16 HB3 ALA 16 0.500 6.466 1.896 135 H THR 17 HN THR 17 3.091 5.769 4.782 136 HA THR 17 HA THR 17 1.485 6.867 6.781 137 HB THR 17 HB THR 17 2.603 4.758 7.121 138 HG1 THR 17 HG1 THR 17 3.702 6.662 8.909 139 1HG2 THR 17 HG21 THR 17 4.667 5.209 5.867 140 2HG2 THR 17 HG22 THR 17 4.971 4.531 7.467 141 3HG2 THR 17 HG23 THR 17 5.211 6.254 7.179 142 H GLU 18 HN GLU 18 4.815 7.685 5.852 143 HA GLU 18 HA GLU 18 5.177 9.684 7.818 144 1HB GLU 18 HB2 GLU 18 7.109 10.378 6.479 145 2HB GLU 18 HB1 GLU 18 7.063 8.632 6.677 146 1HG GLU 18 HG2 GLU 18 6.008 8.490 4.416 147 2HG GLU 18 HG1 GLU 18 6.321 10.215 4.234 148 H GLU 19 HN GLU 19 4.104 9.804 4.447 149 HA GLU 19 HA GLU 19 3.968 12.600 4.212 150 1HB GLU 19 HB2 GLU 19 2.645 10.322 2.779 151 2HB GLU 19 HB1 GLU 19 2.168 11.978 2.430 152 1HG GLU 19 HG2 GLU 19 5.019 11.052 2.293 153 2HG GLU 19 HG1 GLU 19 3.915 10.957 0.921 154 H ASP 20 HN ASP 20 1.577 10.216 5.272 155 HA ASP 20 HA ASP 20 -0.659 11.839 5.466 156 1HB ASP 20 HB2 ASP 20 -0.516 9.331 5.838 157 2HB ASP 20 HB1 ASP 20 0.034 9.692 7.472 158 H LYS 21 HN LYS 21 2.100 11.574 7.604 159 HA LYS 21 HA LYS 21 0.935 13.086 9.738 160 1HB LYS 21 HB2 LYS 21 3.568 11.883 9.138 161 2HB LYS 21 HB1 LYS 21 3.597 13.288 10.192 162 1HG LYS 21 HG2 LYS 21 2.996 12.034 11.910 163 2HG LYS 21 HG1 LYS 21 1.516 11.566 11.071 164 1HD LYS 21 HD2 LYS 21 2.921 9.837 9.855 165 2HD LYS 21 HD1 LYS 21 4.197 10.197 11.021 166 1HE LYS 21 HE2 LYS 21 1.520 9.638 12.138 167 2HE LYS 21 HE1 LYS 21 2.348 8.277 11.381 168 1HZ LYS 21 HZ1 LYS 21 3.423 9.979 13.567 169 2HZ LYS 21 HZ2 LYS 21 4.258 8.712 12.820 170 3HZ LYS 21 HZ3 LYS 21 2.864 8.388 13.723 171 H ALA 22 HN ALA 22 2.549 13.860 6.784 172 HA ALA 22 HA ALA 22 3.086 16.601 7.645 173 1HB ALA 22 HB1 ALA 22 3.676 15.446 4.935 174 2HB ALA 22 HB2 ALA 22 4.748 15.216 6.317 175 3HB ALA 22 HB3 ALA 22 4.416 16.842 5.720 176 H LYS 23 HN LYS 23 0.338 15.511 7.213 177 HA LYS 23 HA LYS 23 -1.648 16.163 6.319 178 1HB LYS 23 HB2 LYS 23 0.000 18.662 6.035 179 2HB LYS 23 HB1 LYS 23 -1.667 18.606 5.477 180 1HG LYS 23 HG2 LYS 23 -1.671 17.552 8.081 181 2HG LYS 23 HG1 LYS 23 -0.650 18.991 8.124 182 1HD LYS 23 HD2 LYS 23 -2.377 20.394 7.489 183 2HD LYS 23 HD1 LYS 23 -3.298 19.089 6.739 184 1HE LYS 23 HE2 LYS 23 -4.472 18.840 8.605 185 2HE LYS 23 HE1 LYS 23 -2.994 18.475 9.494 186 1HZ LYS 23 HZ1 LYS 23 -2.709 20.736 10.042 187 2HZ LYS 23 HZ2 LYS 23 -4.337 20.395 10.347 188 3HZ LYS 23 HZ3 LYS 23 -3.899 21.245 8.952 189 H ASN 24 HN ASN 24 0.023 14.653 4.624 190 HA ASN 24 HA ASN 24 -0.501 15.829 1.978 191 1HB ASN 24 HB2 ASN 24 1.547 13.886 2.980 192 2HB ASN 24 HB1 ASN 24 1.073 13.843 1.284 193 1HD2 ASN 24 HD21 ASN 24 1.377 15.753 0.019 194 2HD2 ASN 24 HD22 ASN 24 2.615 16.883 0.439 195 H TYR 25 HN TYR 25 -2.696 14.843 3.248 196 HA TYR 25 HA TYR 25 -3.342 12.173 2.984 197 1HB TYR 25 HB2 TYR 25 -5.092 14.610 2.621 198 2HB TYR 25 HB1 TYR 25 -5.714 12.968 2.735 199 HD1 TYR 25 HD1 TYR 25 -3.956 15.640 4.582 200 HD2 TYR 25 HD2 TYR 25 -5.907 11.867 4.840 201 HE1 TYR 25 HE1 TYR 25 -3.984 15.829 7.032 202 HE2 TYR 25 HE2 TYR 25 -5.942 12.047 7.292 203 HH TYR 25 HH TYR 25 -5.868 14.281 8.975 204 H GLU 26 HN GLU 26 -3.107 14.629 0.516 205 HA GLU 26 HA GLU 26 -4.497 13.217 -1.521 206 1HB GLU 26 HB2 GLU 26 -2.771 15.621 -1.366 207 2HB GLU 26 HB1 GLU 26 -2.868 14.833 -2.935 208 1HG GLU 26 HG2 GLU 26 -5.411 15.358 -1.510 209 2HG GLU 26 HG1 GLU 26 -4.549 16.739 -2.185 210 H GLU 27 HN GLU 27 -1.046 13.596 -0.761 211 HA GLU 27 HA GLU 27 -0.181 11.872 -2.865 212 1HB GLU 27 HB2 GLU 27 1.072 13.731 -1.375 213 2HB GLU 27 HB1 GLU 27 1.572 12.283 -0.511 214 1HG GLU 27 HG2 GLU 27 3.270 12.505 -2.023 215 2HG GLU 27 HG1 GLU 27 2.186 11.418 -2.891 216 H ALA 28 HN ALA 28 -0.811 11.472 0.580 217 HA ALA 28 HA ALA 28 0.255 8.914 0.926 218 1HB ALA 28 HB1 ALA 28 -2.217 9.520 2.413 219 2HB ALA 28 HB2 ALA 28 -0.911 10.696 2.570 220 3HB ALA 28 HB3 ALA 28 -0.634 9.007 2.998 221 H LEU 29 HN LEU 29 -2.867 9.957 -0.315 222 HA LEU 29 HA LEU 29 -4.155 7.461 -0.309 223 1HB LEU 29 HB2 LEU 29 -5.373 9.538 -0.617 224 2HB LEU 29 HB1 LEU 29 -4.531 9.841 -2.124 225 HG LEU 29 HG LEU 29 -5.598 7.764 -3.049 226 1HD1 LEU 29 HD11 LEU 29 -7.696 7.062 -1.817 227 2HD1 LEU 29 HD12 LEU 29 -7.028 7.889 -0.411 228 3HD1 LEU 29 HD13 LEU 29 -6.164 6.530 -1.127 229 1HD2 LEU 29 HD21 LEU 29 -7.823 8.818 -3.337 230 2HD2 LEU 29 HD22 LEU 29 -6.482 9.927 -3.621 231 3HD2 LEU 29 HD23 LEU 29 -7.383 10.002 -2.108 232 H ARG 30 HN ARG 30 -2.351 9.121 -2.889 233 HA ARG 30 HA ARG 30 -2.600 7.014 -4.767 234 1HB ARG 30 HB2 ARG 30 -0.800 9.410 -4.546 235 2HB ARG 30 HB1 ARG 30 -0.570 8.224 -5.824 236 1HG ARG 30 HG2 ARG 30 -3.252 9.467 -5.387 237 2HG ARG 30 HG1 ARG 30 -1.997 10.328 -6.281 238 1HD ARG 30 HD2 ARG 30 -2.413 7.524 -7.071 239 2HD ARG 30 HD1 ARG 30 -3.765 8.606 -7.399 240 HE ARG 30 HE ARG 30 -1.209 8.576 -8.712 241 1HH1 ARG 30 HH11 ARG 30 -3.997 10.521 -7.923 242 2HH1 ARG 30 HH12 ARG 30 -3.762 11.617 -9.242 243 1HH2 ARG 30 HH21 ARG 30 -0.898 10.017 -10.440 244 2HH2 ARG 30 HH22 ARG 30 -2.003 11.330 -10.670 245 H LEU 31 HN LEU 31 -0.216 7.797 -2.308 246 HA LEU 31 HA LEU 31 1.717 5.882 -3.141 247 1HB LEU 31 HB2 LEU 31 1.305 7.647 -0.800 248 2HB LEU 31 HB1 LEU 31 2.309 6.233 -0.540 249 HG LEU 31 HG LEU 31 3.593 8.279 -1.116 250 1HD1 LEU 31 HD11 LEU 31 3.878 6.241 -3.301 251 2HD1 LEU 31 HD12 LEU 31 4.312 5.889 -1.629 252 3HD1 LEU 31 HD13 LEU 31 5.134 7.184 -2.500 253 1HD2 LEU 31 HD21 LEU 31 3.566 8.927 -3.552 254 2HD2 LEU 31 HD22 LEU 31 2.150 9.407 -2.618 255 3HD2 LEU 31 HD23 LEU 31 2.065 8.012 -3.695 256 H TYR 32 HN TYR 32 -1.097 5.777 -1.081 257 HA TYR 32 HA TYR 32 -0.453 3.289 0.171 258 1HB TYR 32 HB2 TYR 32 -2.598 5.242 0.285 259 2HB TYR 32 HB1 TYR 32 -3.227 3.598 0.298 260 HD1 TYR 32 HD1 TYR 32 -1.675 6.185 2.225 261 HD2 TYR 32 HD2 TYR 32 -2.308 1.981 2.041 262 HE1 TYR 32 HE1 TYR 32 -1.140 6.006 4.618 263 HE2 TYR 32 HE2 TYR 32 -1.775 1.791 4.434 264 HH TYR 32 HH TYR 32 -0.230 4.092 6.163 265 H GLN 33 HN GLN 33 -2.808 4.197 -2.350 266 HA GLN 33 HA GLN 33 -3.697 1.616 -2.934 267 1HB GLN 33 HB2 GLN 33 -4.485 2.550 -5.063 268 2HB GLN 33 HB1 GLN 33 -4.864 3.610 -3.712 269 1HG GLN 33 HG2 GLN 33 -3.259 5.177 -4.332 270 2HG GLN 33 HG1 GLN 33 -2.406 4.031 -5.365 271 1HE2 GLN 33 HE21 GLN 33 -4.522 6.582 -5.307 272 2HE2 GLN 33 HE22 GLN 33 -5.191 6.423 -6.892 273 H HIS 34 HN HIS 34 -0.839 3.337 -3.965 274 HA HIS 34 HA HIS 34 -0.165 1.613 -6.124 275 1HB HIS 34 HB2 HIS 34 1.020 3.899 -4.757 276 2HB HIS 34 HB1 HIS 34 2.225 2.707 -5.229 277 HD1 HIS 34 HD1 HIS 34 2.704 2.433 -7.724 278 HD2 HIS 34 HD2 HIS 34 -0.326 5.154 -6.904 279 HE1 HIS 34 HE1 HIS 34 2.274 3.633 -9.892 280 HE2 HIS 34 HE2 HIS 34 0.499 5.337 -9.348 281 H ALA 35 HN ALA 35 0.558 1.633 -2.684 282 HA ALA 35 HA ALA 35 2.532 -0.415 -2.778 283 1HB ALA 35 HB1 ALA 35 2.762 -0.040 -0.575 284 2HB ALA 35 HB2 ALA 35 1.026 -0.125 -0.274 285 3HB ALA 35 HB3 ALA 35 1.743 1.364 -0.890 286 H VAL 36 HN VAL 36 -0.951 -0.390 -2.550 287 HA VAL 36 HA VAL 36 -1.193 -3.124 -1.722 288 HB VAL 36 HB VAL 36 -3.307 -1.399 -3.016 289 1HG1 VAL 36 HG11 VAL 36 -4.023 -3.413 -0.998 290 2HG1 VAL 36 HG12 VAL 36 -3.398 -4.059 -2.516 291 3HG1 VAL 36 HG13 VAL 36 -4.809 -3.000 -2.523 292 1HG2 VAL 36 HG21 VAL 36 -2.008 -0.766 -0.706 293 2HG2 VAL 36 HG22 VAL 36 -3.360 -1.725 -0.103 294 3HG2 VAL 36 HG23 VAL 36 -3.664 -0.297 -1.093 295 H GLU 37 HN GLU 37 -1.074 -1.422 -4.772 296 HA GLU 37 HA GLU 37 -2.054 -3.538 -6.392 297 1HB GLU 37 HB2 GLU 37 -0.556 -0.998 -6.900 298 2HB GLU 37 HB1 GLU 37 -0.689 -2.188 -8.188 299 1HG GLU 37 HG2 GLU 37 -3.222 -1.587 -6.861 300 2HG GLU 37 HG1 GLU 37 -2.485 -0.206 -7.671 301 H TYR 38 HN TYR 38 1.090 -2.712 -5.117 302 HA TYR 38 HA TYR 38 2.580 -4.445 -6.827 303 1HB TYR 38 HB2 TYR 38 3.180 -2.965 -4.285 304 2HB TYR 38 HB1 TYR 38 4.324 -4.146 -4.915 305 HD1 TYR 38 HD1 TYR 38 4.809 -3.823 -7.542 306 HD2 TYR 38 HD2 TYR 38 3.510 -0.768 -4.882 307 HE1 TYR 38 HE1 TYR 38 5.734 -2.120 -9.056 308 HE2 TYR 38 HE2 TYR 38 4.431 0.944 -6.387 309 HH TYR 38 HH TYR 38 6.556 0.238 -8.892 310 H PHE 39 HN PHE 39 1.196 -4.740 -3.589 311 HA PHE 39 HA PHE 39 2.326 -7.232 -2.936 312 1HB PHE 39 HB2 PHE 39 -0.040 -5.676 -1.968 313 2HB PHE 39 HB1 PHE 39 0.157 -7.347 -1.450 314 HD1 PHE 39 HD1 PHE 39 2.719 -7.860 -0.713 315 HD2 PHE 39 HD2 PHE 39 0.752 -4.090 -0.528 316 HE1 PHE 39 HE1 PHE 39 4.284 -7.133 1.041 317 HE2 PHE 39 HE2 PHE 39 2.315 -3.357 1.225 318 HZ PHE 39 HZ PHE 39 4.083 -4.879 2.012 319 H LEU 40 HN LEU 40 -0.745 -6.381 -4.489 320 HA LEU 40 HA LEU 40 -1.767 -8.997 -4.667 321 1HB LEU 40 HB2 LEU 40 -2.317 -6.420 -6.067 322 2HB LEU 40 HB1 LEU 40 -3.012 -7.895 -6.711 323 HG LEU 40 HG LEU 40 -3.411 -6.991 -3.863 324 1HD1 LEU 40 HD11 LEU 40 -5.723 -6.387 -4.718 325 2HD1 LEU 40 HD12 LEU 40 -5.021 -6.430 -6.335 326 3HD1 LEU 40 HD13 LEU 40 -4.409 -5.288 -5.138 327 1HD2 LEU 40 HD21 LEU 40 -5.253 -8.785 -5.355 328 2HD2 LEU 40 HD22 LEU 40 -4.876 -8.728 -3.634 329 3HD2 LEU 40 HD23 LEU 40 -3.730 -9.450 -4.764 330 H HIS 41 HN HIS 41 0.187 -7.074 -6.907 331 HA HIS 41 HA HIS 41 0.183 -8.963 -9.012 332 1HB HIS 41 HB2 HIS 41 0.784 -6.520 -9.200 333 2HB HIS 41 HB1 HIS 41 2.326 -6.912 -8.447 334 HD1 HIS 41 HD1 HIS 41 0.985 -6.356 -11.640 335 HD2 HIS 41 HD2 HIS 41 3.585 -9.196 -10.080 336 HE1 HIS 41 HE1 HIS 41 2.228 -7.289 -13.620 337 HE2 HIS 41 HE2 HIS 41 3.729 -9.070 -12.660 338 H ALA 42 HN ALA 42 2.129 -8.583 -6.140 339 HA ALA 42 HA ALA 42 4.268 -10.270 -6.914 340 1HB ALA 42 HB1 ALA 42 3.303 -9.606 -4.136 341 2HB ALA 42 HB2 ALA 42 4.444 -8.650 -5.083 342 3HB ALA 42 HB3 ALA 42 4.877 -10.270 -4.562 343 H ILE 43 HN ILE 43 1.195 -10.840 -5.281 344 HA ILE 43 HA ILE 43 1.740 -13.560 -4.629 345 HB ILE 43 HB ILE 43 -0.970 -12.260 -4.895 346 1HG1 ILE 43 HG12 ILE 43 0.500 -12.540 -2.297 347 2HG1 ILE 43 HG11 ILE 43 0.840 -11.170 -3.342 348 1HG2 ILE 43 HG21 ILE 43 -1.353 -14.540 -4.690 349 2HG2 ILE 43 HG22 ILE 43 -1.409 -13.990 -3.014 350 3HG2 ILE 43 HG23 ILE 43 0.039 -14.780 -3.637 351 1HD1 ILE 43 HD11 ILE 43 -1.337 -11.580 -1.535 352 2HD1 ILE 43 HD12 ILE 43 -1.947 -11.320 -3.170 353 3HD1 ILE 43 HD13 ILE 43 -0.881 -10.130 -2.429 354 H LYS 44 HN LYS 44 -0.064 -11.960 -7.229 355 HA LYS 44 HA LYS 44 -1.062 -14.260 -8.474 356 1HB LYS 44 HB2 LYS 44 -1.156 -11.520 -8.938 357 2HB LYS 44 HB1 LYS 44 -0.348 -12.160 -10.360 358 1HG LYS 44 HG2 LYS 44 -2.550 -13.850 -9.819 359 2HG LYS 44 HG1 LYS 44 -3.118 -12.180 -9.710 360 1HD LYS 44 HD2 LYS 44 -1.476 -12.240 -11.960 361 2HD LYS 44 HD1 LYS 44 -2.406 -13.740 -12.030 362 1HE LYS 44 HE2 LYS 44 -3.785 -12.250 -13.140 363 2HE LYS 44 HE1 LYS 44 -4.431 -12.210 -11.500 364 1HZ LYS 44 HZ1 LYS 44 -3.014 -10.150 -13.000 365 2HZ LYS 44 HZ2 LYS 44 -2.646 -10.260 -11.350 366 3HZ LYS 44 HZ3 LYS 44 -4.243 -10.000 -11.840 367 H TYR 45 HN TYR 45 1.873 -12.390 -9.245 368 HA TYR 45 HA TYR 45 2.775 -14.320 -11.150 369 1HB TYR 45 HB2 TYR 45 3.852 -11.780 -10.010 370 2HB TYR 45 HB1 TYR 45 4.969 -12.880 -10.820 371 HD1 TYR 45 HD1 TYR 45 5.383 -12.440 -13.030 372 HD2 TYR 45 HD2 TYR 45 1.560 -11.470 -11.440 373 HE1 TYR 45 HE1 TYR 45 4.710 -11.530 -15.220 374 HE2 TYR 45 HE2 TYR 45 0.875 -10.560 -13.620 375 HH TYR 45 HH TYR 45 1.513 -10.840 -16.020 376 H GLU 46 HN GLU 46 4.266 -13.180 -8.121 377 HA GLU 46 HA GLU 46 5.692 -15.710 -7.907 378 1HB GLU 46 HB2 GLU 46 5.986 -13.020 -6.621 379 2HB GLU 46 HB1 GLU 46 6.705 -14.440 -5.863 380 1HG GLU 46 HG2 GLU 46 7.472 -14.610 -8.525 381 2HG GLU 46 HG1 GLU 46 7.604 -12.900 -8.130 382 H ALA 47 HN ALA 47 4.036 -17.110 -7.274 383 HA ALA 47 HA ALA 47 2.530 -16.510 -4.861 384 1HB ALA 47 HB1 ALA 47 2.450 -18.950 -6.627 385 2HB ALA 47 HB2 ALA 47 1.394 -17.550 -6.771 386 3HB ALA 47 HB3 ALA 47 1.319 -18.560 -5.331 387 H HIS 48 HN HIS 48 3.121 -17.130 -2.894 388 HA HIS 48 HA HIS 48 5.255 -19.140 -2.646 389 1HB HIS 48 HB2 HIS 48 4.753 -16.600 -1.353 390 2HB HIS 48 HB1 HIS 48 4.921 -17.880 -0.163 391 HD1 HIS 48 HD1 HIS 48 7.204 -19.350 -0.431 392 HD2 HIS 48 HD2 HIS 48 7.109 -15.640 -2.307 393 HE1 HIS 48 HE1 HIS 48 9.606 -18.770 -0.898 394 HE2 HIS 48 HE2 HIS 48 9.529 -16.480 -1.961 395 H SER 49 HN SER 49 5.007 -19.860 -0.032 396 HA SER 49 HA SER 49 2.994 -21.820 -0.120 397 1HB SER 49 HB2 SER 49 4.976 -20.890 1.881 398 2HB SER 49 HB1 SER 49 3.591 -21.780 2.508 399 HG SER 49 HG SER 49 5.145 -22.720 0.339 400 H ASP 50 HN ASP 50 1.409 -22.100 1.782 401 HA ASP 50 HA ASP 50 -0.562 -20.120 1.586 402 1HB ASP 50 HB2 ASP 50 -0.147 -22.530 3.299 403 2HB ASP 50 HB1 ASP 50 -1.387 -21.370 3.783 404 H LYS 51 HN LYS 51 1.971 -20.640 3.966 405 HA LYS 51 HA LYS 51 1.053 -18.840 5.921 406 1HB LYS 51 HB2 LYS 51 3.026 -20.610 5.906 407 2HB LYS 51 HB1 LYS 51 3.981 -19.200 5.470 408 1HG LYS 51 HG2 LYS 51 2.180 -18.780 7.744 409 2HG LYS 51 HG1 LYS 51 3.442 -19.990 8.008 410 1HD LYS 51 HD2 LYS 51 4.377 -17.540 6.703 411 2HD LYS 51 HD1 LYS 51 3.747 -17.290 8.333 412 1HE LYS 51 HE2 LYS 51 5.612 -19.560 7.878 413 2HE LYS 51 HE1 LYS 51 6.279 -17.930 7.890 414 1HZ LYS 51 HZ1 LYS 51 6.342 -18.930 10.087 415 2HZ LYS 51 HZ2 LYS 51 4.664 -19.150 10.065 416 3HZ LYS 51 HZ3 LYS 51 5.317 -17.590 10.078 417 H ALA 52 HN ALA 52 3.425 -18.380 3.303 418 HA ALA 52 HA ALA 52 3.729 -15.590 3.819 419 1HB ALA 52 HB1 ALA 52 4.762 -17.520 1.838 420 2HB ALA 52 HB2 ALA 52 5.613 -16.310 2.792 421 3HB ALA 52 HB3 ALA 52 4.725 -15.830 1.345 422 H LYS 53 HN LYS 53 1.756 -17.530 1.657 423 HA LYS 53 HA LYS 53 0.865 -15.380 0.019 424 1HB LYS 53 HB2 LYS 53 0.772 -17.910 -0.458 425 2HB LYS 53 HB1 LYS 53 -0.683 -17.910 0.529 426 1HG LYS 53 HG2 LYS 53 -1.374 -15.960 -1.101 427 2HG LYS 53 HG1 LYS 53 -0.218 -16.760 -2.164 428 1HD LYS 53 HD2 LYS 53 -2.245 -17.780 -2.691 429 2HD LYS 53 HD1 LYS 53 -1.494 -18.920 -1.565 430 1HE LYS 53 HE2 LYS 53 -3.106 -18.640 -0.041 431 2HE LYS 53 HE1 LYS 53 -3.111 -16.880 -0.242 432 1HZ LYS 53 HZ1 LYS 53 -4.785 -16.970 -1.721 433 2HZ LYS 53 HZ2 LYS 53 -5.128 -18.440 -0.973 434 3HZ LYS 53 HZ3 LYS 53 -4.261 -18.420 -2.424 435 H GLU 54 HN GLU 54 -0.251 -16.770 3.037 436 HA GLU 54 HA GLU 54 -2.764 -15.410 3.055 437 1HB GLU 54 HB2 GLU 54 -1.196 -17.040 4.998 438 2HB GLU 54 HB1 GLU 54 -2.467 -16.000 5.630 439 1HG GLU 54 HG2 GLU 54 -3.102 -17.790 3.346 440 2HG GLU 54 HG1 GLU 54 -2.939 -18.490 4.955 441 H SER 55 HN SER 55 0.405 -14.820 4.513 442 HA SER 55 HA SER 55 -0.286 -12.610 6.082 443 1HB SER 55 HB2 SER 55 2.155 -13.890 5.171 444 2HB SER 55 HB1 SER 55 2.332 -12.130 5.220 445 HG SER 55 HG SER 55 1.956 -12.140 7.356 446 H ILE 56 HN ILE 56 0.836 -12.770 2.722 447 HA ILE 56 HA ILE 56 0.857 -9.963 2.320 448 HB ILE 56 HB ILE 56 0.613 -12.090 0.201 449 1HG1 ILE 56 HG12 ILE 56 3.239 -10.880 0.898 450 2HG1 ILE 56 HG11 ILE 56 2.597 -12.090 2.001 451 1HG2 ILE 56 HG21 ILE 56 1.502 -9.226 0.155 452 2HG2 ILE 56 HG22 ILE 56 0.178 -9.973 -0.740 453 3HG2 ILE 56 HG23 ILE 56 1.849 -10.360 -1.150 454 1HD1 ILE 56 HD11 ILE 56 3.969 -13.260 0.512 455 2HD1 ILE 56 HD12 ILE 56 3.329 -12.400 -0.889 456 3HD1 ILE 56 HD13 ILE 56 2.324 -13.580 -0.040 457 H ARG 57 HN ARG 57 -1.544 -12.480 1.861 458 HA ARG 57 HA ARG 57 -3.383 -10.960 0.348 459 1HB ARG 57 HB2 ARG 57 -3.331 -13.490 0.667 460 2HB ARG 57 HB1 ARG 57 -4.111 -13.210 2.218 461 1HG ARG 57 HG2 ARG 57 -5.975 -13.520 0.997 462 2HG ARG 57 HG1 ARG 57 -5.762 -11.810 0.647 463 1HD ARG 57 HD2 ARG 57 -4.493 -12.440 -1.391 464 2HD ARG 57 HD1 ARG 57 -4.868 -14.130 -1.058 465 HE ARG 57 HE ARG 57 -6.994 -13.780 -1.843 466 1HH1 ARG 57 HH11 ARG 57 -5.463 -10.690 -1.297 467 2HH1 ARG 57 HH12 ARG 57 -6.730 -9.794 -2.056 468 1HH2 ARG 57 HH21 ARG 57 -8.661 -12.600 -2.842 469 2HH2 ARG 57 HH22 ARG 57 -8.547 -10.870 -2.934 470 H ALA 58 HN ALA 58 -3.002 -11.490 3.823 471 HA ALA 58 HA ALA 58 -5.334 -9.969 4.507 472 1HB ALA 58 HB1 ALA 58 -4.655 -10.300 6.806 473 2HB ALA 58 HB2 ALA 58 -3.074 -10.880 6.280 474 3HB ALA 58 HB3 ALA 58 -4.523 -11.820 5.910 475 H LYS 59 HN LYS 59 -1.948 -9.314 4.046 476 HA LYS 59 HA LYS 59 -1.813 -6.882 5.487 477 1HB LYS 59 HB2 LYS 59 -0.141 -8.244 3.436 478 2HB LYS 59 HB1 LYS 59 0.130 -6.526 3.697 479 1HG LYS 59 HG2 LYS 59 0.088 -8.453 5.990 480 2HG LYS 59 HG1 LYS 59 1.543 -8.204 5.023 481 1HD LYS 59 HD2 LYS 59 1.756 -5.985 5.689 482 2HD LYS 59 HD1 LYS 59 0.064 -5.870 6.179 483 1HE LYS 59 HE2 LYS 59 0.681 -7.632 7.951 484 2HE LYS 59 HE1 LYS 59 2.351 -7.195 7.595 485 1HZ LYS 59 HZ1 LYS 59 0.883 -5.971 9.433 486 2HZ LYS 59 HZ2 LYS 59 0.534 -4.985 8.105 487 3HZ LYS 59 HZ3 LYS 59 2.138 -5.204 8.595 488 H CYS 60 HN CYS 60 -2.239 -7.540 2.011 489 HA CYS 60 HA CYS 60 -2.471 -4.881 1.182 490 1HB CYS 60 HB2 CYS 60 -3.486 -5.764 -0.847 491 2HB CYS 60 HB1 CYS 60 -2.138 -6.783 -0.357 492 HG CYS 60 HG CYS 60 -3.695 -8.676 0.102 493 H VAL 61 HN VAL 61 -4.866 -7.104 2.480 494 HA VAL 61 HA VAL 61 -7.164 -5.596 1.861 495 HB VAL 61 HB VAL 61 -6.802 -7.440 4.225 496 1HG1 VAL 61 HG11 VAL 61 -9.141 -6.161 2.909 497 2HG1 VAL 61 HG12 VAL 61 -8.839 -6.483 4.617 498 3HG1 VAL 61 HG13 VAL 61 -9.330 -7.795 3.545 499 1HG2 VAL 61 HG21 VAL 61 -8.103 -8.465 1.801 500 2HG2 VAL 61 HG22 VAL 61 -6.963 -9.245 2.895 501 3HG2 VAL 61 HG23 VAL 61 -6.375 -8.155 1.641 502 H GLN 62 HN GLN 62 -4.936 -5.507 4.588 503 HA GLN 62 HA GLN 62 -6.512 -3.699 6.143 504 1HB GLN 62 HB2 GLN 62 -4.575 -5.342 6.847 505 2HB GLN 62 HB1 GLN 62 -3.556 -3.951 6.506 506 1HG GLN 62 HG2 GLN 62 -3.952 -3.302 8.587 507 2HG GLN 62 HG1 GLN 62 -5.586 -2.907 8.057 508 1HE2 GLN 62 HE21 GLN 62 -3.600 -5.106 9.824 509 2HE2 GLN 62 HE22 GLN 62 -4.878 -6.039 10.518 510 H TYR 63 HN TYR 63 -3.893 -3.368 3.822 511 HA TYR 63 HA TYR 63 -3.415 -0.605 4.305 512 1HB TYR 63 HB2 TYR 63 -2.724 -2.436 2.010 513 2HB TYR 63 HB1 TYR 63 -2.271 -0.735 2.031 514 HD1 TYR 63 HD1 TYR 63 -0.836 -3.722 2.345 515 HD2 TYR 63 HD2 TYR 63 -1.389 -0.231 4.716 516 HE1 TYR 63 HE1 TYR 63 1.182 -4.283 3.633 517 HE2 TYR 63 HE2 TYR 63 0.628 -0.782 6.009 518 HH TYR 63 HH TYR 63 2.829 -2.211 5.471 519 H LEU 64 HN LEU 64 -5.509 -2.393 2.119 520 HA LEU 64 HA LEU 64 -6.267 -0.228 0.478 521 1HB LEU 64 HB2 LEU 64 -7.146 -2.979 0.947 522 2HB LEU 64 HB1 LEU 64 -8.450 -1.905 0.480 523 HG LEU 64 HG LEU 64 -5.924 -1.966 -1.127 524 1HD1 LEU 64 HD11 LEU 64 -7.067 -3.664 -2.579 525 2HD1 LEU 64 HD12 LEU 64 -8.189 -3.943 -1.247 526 3HD1 LEU 64 HD13 LEU 64 -6.469 -4.273 -1.036 527 1HD2 LEU 64 HD21 LEU 64 -7.584 -1.441 -2.934 528 2HD2 LEU 64 HD22 LEU 64 -7.427 -0.210 -1.681 529 3HD2 LEU 64 HD23 LEU 64 -8.809 -1.305 -1.673 530 H ASP 65 HN ASP 65 -7.346 -1.308 3.613 531 HA ASP 65 HA ASP 65 -9.775 0.181 3.656 532 1HB ASP 65 HB2 ASP 65 -8.456 -1.678 5.345 533 2HB ASP 65 HB1 ASP 65 -8.755 -0.232 6.304 534 H ARG 66 HN ARG 66 -6.461 0.841 4.633 535 HA ARG 66 HA ARG 66 -7.007 3.250 6.026 536 1HB ARG 66 HB2 ARG 66 -4.875 1.736 6.014 537 2HB ARG 66 HB1 ARG 66 -4.393 2.739 4.652 538 1HG ARG 66 HG2 ARG 66 -3.508 4.100 6.173 539 2HG ARG 66 HG1 ARG 66 -5.166 4.596 6.517 540 1HD ARG 66 HD2 ARG 66 -4.361 2.141 7.887 541 2HD ARG 66 HD1 ARG 66 -3.401 3.551 8.336 542 HE ARG 66 HE ARG 66 -6.235 4.027 8.361 543 1HH1 ARG 66 HH11 ARG 66 -3.514 2.860 10.209 544 2HH1 ARG 66 HH12 ARG 66 -4.259 3.174 11.740 545 1HH2 ARG 66 HH21 ARG 66 -7.217 4.440 10.374 546 2HH2 ARG 66 HH22 ARG 66 -6.361 4.071 11.834 547 H ALA 67 HN ALA 67 -6.097 2.536 2.683 548 HA ALA 67 HA ALA 67 -5.717 5.172 1.811 549 1HB ALA 67 HB1 ALA 67 -6.845 3.064 0.012 550 2HB ALA 67 HB2 ALA 67 -5.200 2.929 0.631 551 3HB ALA 67 HB3 ALA 67 -5.663 4.323 -0.346 552 H GLU 68 HN GLU 68 -8.628 3.140 1.805 553 HA GLU 68 HA GLU 68 -10.330 4.916 0.492 554 1HB GLU 68 HB2 GLU 68 -10.760 2.675 2.433 555 2HB GLU 68 HB1 GLU 68 -12.120 3.677 1.943 556 1HG GLU 68 HG2 GLU 68 -10.500 2.722 -0.287 557 2HG GLU 68 HG1 GLU 68 -11.250 1.437 0.655 558 H LYS 69 HN LYS 69 -9.278 4.793 3.822 559 HA LYS 69 HA LYS 69 -11.230 6.633 4.812 560 1HB LYS 69 HB2 LYS 69 -9.710 4.877 6.066 561 2HB LYS 69 HB1 LYS 69 -8.599 6.236 6.169 562 1HG LYS 69 HG2 LYS 69 -11.380 6.785 6.963 563 2HG LYS 69 HG1 LYS 69 -10.470 5.693 8.010 564 1HD LYS 69 HD2 LYS 69 -8.697 7.757 7.478 565 2HD LYS 69 HD1 LYS 69 -10.250 8.569 7.682 566 1HE LYS 69 HE2 LYS 69 -10.370 8.057 9.878 567 2HE LYS 69 HE1 LYS 69 -9.633 6.475 9.660 568 1HZ LYS 69 HZ1 LYS 69 -7.480 7.517 9.528 569 2HZ LYS 69 HZ2 LYS 69 -8.246 7.998 10.957 570 3HZ LYS 69 HZ3 LYS 69 -8.169 9.058 9.642 571 H LEU 70 HN LEU 70 -8.078 6.909 3.356 572 HA LEU 70 HA LEU 70 -7.555 9.584 4.179 573 1HB LEU 70 HB2 LEU 70 -6.452 7.980 1.873 574 2HB LEU 70 HB1 LEU 70 -5.835 9.539 2.387 575 HG LEU 70 HG LEU 70 -5.890 7.114 4.179 576 1HD1 LEU 70 HD11 LEU 70 -3.977 7.939 2.083 577 2HD1 LEU 70 HD12 LEU 70 -4.350 6.336 2.717 578 3HD1 LEU 70 HD13 LEU 70 -3.294 7.419 3.624 579 1HD2 LEU 70 HD21 LEU 70 -4.589 9.821 4.347 580 2HD2 LEU 70 HD22 LEU 70 -4.125 8.460 5.369 581 3HD2 LEU 70 HD23 LEU 70 -5.763 9.109 5.453 582 H LYS 71 HN LYS 71 -8.736 8.178 1.129 583 HA LYS 71 HA LYS 71 -9.100 10.642 -0.195 584 1HB LYS 71 HB2 LYS 71 -10.530 9.335 -1.752 585 2HB LYS 71 HB1 LYS 71 -8.960 8.607 -1.469 586 1HG LYS 71 HG2 LYS 71 -9.836 6.769 -0.535 587 2HG LYS 71 HG1 LYS 71 -11.060 7.678 0.341 588 1HD LYS 71 HD2 LYS 71 -12.460 6.679 -1.117 589 2HD LYS 71 HD1 LYS 71 -11.950 7.979 -2.192 590 1HE LYS 71 HE2 LYS 71 -10.000 6.253 -2.714 591 2HE LYS 71 HE1 LYS 71 -11.230 5.097 -2.200 592 1HZ LYS 71 HZ1 LYS 71 -11.020 5.923 -4.688 593 2HZ LYS 71 HZ2 LYS 71 -12.040 7.142 -4.115 594 3HZ LYS 71 HZ3 LYS 71 -12.510 5.522 -3.997 595 H ASP 72 HN ASP 72 -11.110 8.803 1.986 596 HA ASP 72 HA ASP 72 -13.550 10.153 1.433 597 1HB ASP 72 HB2 ASP 72 -12.550 8.296 3.523 598 2HB ASP 72 HB1 ASP 72 -13.940 9.286 3.946 599 H TYR 73 HN TYR 73 -10.810 10.856 3.467 600 HA TYR 73 HA TYR 73 -12.150 12.851 5.036 601 1HB TYR 73 HB2 TYR 73 -10.220 11.638 5.934 602 2HB TYR 73 HB1 TYR 73 -9.202 12.292 4.659 603 HD1 TYR 73 HD1 TYR 73 -10.740 12.916 7.878 604 HD2 TYR 73 HD2 TYR 73 -8.642 14.711 4.647 605 HE1 TYR 73 HE1 TYR 73 -10.220 14.850 9.304 606 HE2 TYR 73 HE2 TYR 73 -8.108 16.648 6.064 607 HH TYR 73 HH TYR 73 -9.624 17.226 9.038 608 H LEU 74 HN LEU 74 -9.757 12.948 2.400 609 HA LEU 74 HA LEU 74 -9.700 15.769 2.210 610 1HB LEU 74 HB2 LEU 74 -8.623 15.381 0.013 611 2HB LEU 74 HB1 LEU 74 -7.878 14.492 1.327 612 HG LEU 74 HG LEU 74 -9.557 12.595 0.444 613 1HD1 LEU 74 HD11 LEU 74 -10.570 13.332 -1.421 614 2HD1 LEU 74 HD12 LEU 74 -9.041 12.914 -2.192 615 3HD1 LEU 74 HD13 LEU 74 -9.361 14.581 -1.713 616 1HD2 LEU 74 HD21 LEU 74 -6.763 13.328 -0.170 617 2HD2 LEU 74 HD22 LEU 74 -7.496 12.092 -1.193 618 3HD2 LEU 74 HD23 LEU 74 -7.421 11.862 0.554 619 H ARG 75 HN ARG 75 -11.590 13.292 0.546 620 HA ARG 75 HA ARG 75 -12.790 15.010 -1.345 621 1HB ARG 75 HB2 ARG 75 -13.490 12.308 -0.240 622 2HB ARG 75 HB1 ARG 75 -14.600 13.142 -1.309 623 1HG ARG 75 HG2 ARG 75 -12.220 13.346 -2.656 624 2HG ARG 75 HG1 ARG 75 -12.120 11.748 -1.915 625 1HD ARG 75 HD2 ARG 75 -13.550 10.913 -3.394 626 2HD ARG 75 HD1 ARG 75 -14.740 12.157 -3.011 627 HE ARG 75 HE ARG 75 -12.970 12.091 -5.266 628 1HH1 ARG 75 HH11 ARG 75 -14.840 14.158 -3.170 629 2HH1 ARG 75 HH12 ARG 75 -14.980 15.430 -4.336 630 1HH2 ARG 75 HH21 ARG 75 -13.150 13.762 -6.804 631 2HH2 ARG 75 HH22 ARG 75 -14.020 15.205 -6.401 632 H SER 76 HN SER 76 -13.810 13.920 1.869 633 HA SER 76 HA SER 76 -16.320 15.245 1.824 634 1HB SER 76 HB2 SER 76 -16.390 14.789 4.228 635 2HB SER 76 HB1 SER 76 -15.820 13.367 3.353 636 HG SER 76 HG SER 76 -14.640 14.416 5.354 637 H LYS 77 HN LYS 77 -13.140 16.114 3.132 638 HA LYS 77 HA LYS 77 -14.100 18.685 4.051 639 1HB LYS 77 HB2 LYS 77 -12.310 17.316 5.206 640 2HB LYS 77 HB1 LYS 77 -11.240 17.743 3.879 641 1HG LYS 77 HG2 LYS 77 -11.820 20.177 4.464 642 2HG LYS 77 HG1 LYS 77 -12.410 19.508 5.989 643 1HD LYS 77 HD2 LYS 77 -10.290 18.789 6.631 644 2HD LYS 77 HD1 LYS 77 -9.681 18.822 4.978 645 1HE LYS 77 HE2 LYS 77 -8.735 20.756 5.629 646 2HE LYS 77 HE1 LYS 77 -10.330 21.423 5.320 647 1HZ LYS 77 HZ1 LYS 77 -10.860 21.092 7.668 648 2HZ LYS 77 HZ2 LYS 77 -9.532 22.110 7.475 649 3HZ LYS 77 HZ3 LYS 77 -9.308 20.502 7.950 Start of MODEL 3 1 1H MET 1 HT1 MET 1 22.463 -4.794 -9.850 2 2H MET 1 HT2 MET 1 23.335 -3.739 -8.815 3 3H MET 1 HT3 MET 1 22.164 -3.106 -9.898 4 HA MET 1 HA MET 1 21.650 -4.901 -7.622 5 1HB MET 1 HB2 MET 1 22.315 -2.336 -7.421 6 2HB MET 1 HB1 MET 1 20.629 -2.107 -7.861 7 1HG MET 1 HG2 MET 1 19.940 -3.462 -5.958 8 2HG MET 1 HG1 MET 1 21.628 -3.713 -5.521 9 1HE MET 1 HE1 MET 1 21.648 -2.465 -2.954 10 2HE MET 1 HE2 MET 1 22.508 -0.972 -3.329 11 3HE MET 1 HE3 MET 1 22.919 -2.463 -4.177 12 H THR 2 HN THR 2 19.498 -5.484 -7.328 13 HA THR 2 HA THR 2 17.677 -4.865 -9.559 14 HB THR 2 HB THR 2 16.761 -7.202 -9.232 15 HG1 THR 2 HG1 THR 2 19.199 -7.556 -7.830 16 1HG2 THR 2 HG21 THR 2 18.486 -8.342 -10.490 17 2HG2 THR 2 HG22 THR 2 19.635 -7.059 -10.110 18 3HG2 THR 2 HG23 THR 2 18.230 -6.714 -11.110 19 H THR 3 HN THR 3 15.565 -4.463 -9.050 20 HA THR 3 HA THR 3 14.952 -4.293 -6.178 21 HB THR 3 HB THR 3 13.327 -2.567 -6.769 22 HG1 THR 3 HG1 THR 3 14.224 -2.919 -9.436 23 1HG2 THR 3 HG21 THR 3 15.980 -2.033 -8.082 24 2HG2 THR 3 HG22 THR 3 15.589 -1.784 -6.380 25 3HG2 THR 3 HG23 THR 3 14.789 -0.818 -7.619 26 H SER 4 HN SER 4 13.648 -5.814 -5.427 27 HA SER 4 HA SER 4 12.037 -7.417 -7.199 28 1HB SER 4 HB2 SER 4 13.303 -7.988 -4.880 29 2HB SER 4 HB1 SER 4 11.678 -7.680 -4.269 30 HG SER 4 HG SER 4 12.395 -9.909 -5.134 31 H THR 5 HN THR 5 9.730 -7.959 -6.338 32 HA THR 5 HA THR 5 8.227 -5.514 -6.489 33 HB THR 5 HB THR 5 7.112 -8.269 -5.980 34 HG1 THR 5 HG1 THR 5 7.415 -8.771 -8.019 35 1HG2 THR 5 HG21 THR 5 5.466 -6.511 -5.858 36 2HG2 THR 5 HG22 THR 5 5.230 -7.462 -7.324 37 3HG2 THR 5 HG23 THR 5 5.993 -5.874 -7.416 38 H LEU 6 HN LEU 6 9.058 -7.842 -4.009 39 HA LEU 6 HA LEU 6 7.186 -6.926 -2.071 40 1HB LEU 6 HB2 LEU 6 9.469 -8.787 -2.152 41 2HB LEU 6 HB1 LEU 6 9.166 -8.054 -0.588 42 HG LEU 6 HG LEU 6 8.060 -10.240 -0.850 43 1HD1 LEU 6 HD11 LEU 6 5.952 -8.115 -0.731 44 2HD1 LEU 6 HD12 LEU 6 7.153 -8.306 0.547 45 3HD1 LEU 6 HD13 LEU 6 6.050 -9.629 0.168 46 1HD2 LEU 6 HD21 LEU 6 6.379 -8.866 -2.939 47 2HD2 LEU 6 HD22 LEU 6 6.208 -10.520 -2.363 48 3HD2 LEU 6 HD23 LEU 6 7.638 -10.050 -3.281 49 H GLN 7 HN GLN 7 10.565 -6.173 -2.777 50 HA GLN 7 HA GLN 7 10.953 -4.486 -0.522 51 1HB GLN 7 HB2 GLN 7 12.739 -5.612 -1.964 52 2HB GLN 7 HB1 GLN 7 12.477 -4.311 -3.116 53 1HG GLN 7 HG2 GLN 7 14.142 -3.330 -1.980 54 2HG GLN 7 HG1 GLN 7 12.845 -2.876 -0.874 55 1HE2 GLN 7 HE21 GLN 7 12.798 -3.719 1.145 56 2HE2 GLN 7 HE22 GLN 7 14.014 -4.768 1.784 57 H LYS 8 HN LYS 8 9.783 -3.976 -3.784 58 HA LYS 8 HA LYS 8 9.884 -1.116 -3.658 59 1HB LYS 8 HB2 LYS 8 8.829 -3.147 -5.559 60 2HB LYS 8 HB1 LYS 8 8.148 -1.528 -5.647 61 1HG LYS 8 HG2 LYS 8 10.782 -0.945 -5.585 62 2HG LYS 8 HG1 LYS 8 10.813 -2.506 -6.408 63 1HD LYS 8 HD2 LYS 8 8.739 -0.654 -7.357 64 2HD LYS 8 HD1 LYS 8 10.397 -0.115 -7.636 65 1HE LYS 8 HE2 LYS 8 9.905 -2.934 -8.278 66 2HE LYS 8 HE1 LYS 8 9.000 -1.791 -9.269 67 1HZ LYS 8 HZ1 LYS 8 11.015 -0.736 -9.931 68 2HZ LYS 8 HZ2 LYS 8 11.207 -2.398 -10.170 69 3HZ LYS 8 HZ3 LYS 8 11.933 -1.652 -8.844 70 H ALA 9 HN ALA 9 7.545 -3.577 -2.845 71 HA ALA 9 HA ALA 9 5.274 -1.879 -2.692 72 1HB ALA 9 HB1 ALA 9 4.183 -3.714 -1.584 73 2HB ALA 9 HB2 ALA 9 5.733 -4.481 -1.239 74 3HB ALA 9 HB3 ALA 9 5.165 -4.349 -2.904 75 H ILE 10 HN ILE 10 7.731 -2.884 -0.371 76 HA ILE 10 HA ILE 10 6.464 -1.765 1.914 77 HB ILE 10 HB ILE 10 9.415 -2.282 1.541 78 1HG1 ILE 10 HG12 ILE 10 7.556 -4.215 2.871 79 2HG1 ILE 10 HG11 ILE 10 7.663 -4.206 1.114 80 1HG2 ILE 10 HG21 ILE 10 9.348 -1.167 3.521 81 2HG2 ILE 10 HG22 ILE 10 8.977 -2.788 4.112 82 3HG2 ILE 10 HG23 ILE 10 7.676 -1.626 3.851 83 1HD1 ILE 10 HD11 ILE 10 10.285 -4.207 2.295 84 2HD1 ILE 10 HD12 ILE 10 9.557 -5.347 1.163 85 3HD1 ILE 10 HD13 ILE 10 9.314 -5.550 2.898 86 H ASP 11 HN ASP 11 8.599 -0.506 -0.546 87 HA ASP 11 HA ASP 11 9.424 1.831 0.813 88 1HB ASP 11 HB2 ASP 11 9.625 0.738 -1.884 89 2HB ASP 11 HB1 ASP 11 9.441 2.489 -1.882 90 H LEU 12 HN LEU 12 6.565 1.016 -1.014 91 HA LEU 12 HA LEU 12 5.646 3.719 -1.293 92 1HB LEU 12 HB2 LEU 12 4.568 1.012 -1.884 93 2HB LEU 12 HB1 LEU 12 3.414 2.320 -1.706 94 HG LEU 12 HG LEU 12 4.022 1.945 -4.053 95 1HD1 LEU 12 HD11 LEU 12 4.092 4.164 -4.615 96 2HD1 LEU 12 HD12 LEU 12 5.267 4.559 -3.361 97 3HD1 LEU 12 HD13 LEU 12 3.580 4.272 -2.931 98 1HD2 LEU 12 HD21 LEU 12 6.787 2.482 -3.019 99 2HD2 LEU 12 HD22 LEU 12 6.362 2.738 -4.711 100 3HD2 LEU 12 HD23 LEU 12 6.215 1.132 -3.998 101 H VAL 13 HN VAL 13 5.265 1.159 1.050 102 HA VAL 13 HA VAL 13 3.041 2.336 2.414 103 HB VAL 13 HB VAL 13 5.003 0.314 3.502 104 1HG1 VAL 13 HG11 VAL 13 3.139 -0.340 4.949 105 2HG1 VAL 13 HG12 VAL 13 2.150 0.945 4.253 106 3HG1 VAL 13 HG13 VAL 13 3.588 1.349 5.193 107 1HG2 VAL 13 HG21 VAL 13 2.375 -0.384 2.247 108 2HG2 VAL 13 HG22 VAL 13 3.769 -1.416 2.560 109 3HG2 VAL 13 HG23 VAL 13 3.829 -0.222 1.264 110 H THR 14 HN THR 14 6.519 2.576 2.642 111 HA THR 14 HA THR 14 6.567 3.832 5.209 112 HB THR 14 HB THR 14 8.689 3.940 3.062 113 HG1 THR 14 HG1 THR 14 9.140 1.946 3.497 114 1HG2 THR 14 HG21 THR 14 8.959 4.051 6.055 115 2HG2 THR 14 HG22 THR 14 9.069 5.438 4.971 116 3HG2 THR 14 HG23 THR 14 10.262 4.144 4.869 117 H LYS 15 HN LYS 15 6.588 4.978 1.868 118 HA LYS 15 HA LYS 15 6.958 7.724 2.552 119 1HB LYS 15 HB2 LYS 15 6.943 6.193 0.193 120 2HB LYS 15 HB1 LYS 15 5.648 7.367 0.006 121 1HG LYS 15 HG2 LYS 15 7.064 9.100 -0.170 122 2HG LYS 15 HG1 LYS 15 8.175 8.451 1.037 123 1HD LYS 15 HD2 LYS 15 9.529 8.019 -0.694 124 2HD LYS 15 HD1 LYS 15 8.440 6.672 -1.036 125 1HE LYS 15 HE2 LYS 15 7.577 7.673 -2.857 126 2HE LYS 15 HE1 LYS 15 7.563 9.264 -2.099 127 1HZ LYS 15 HZ1 LYS 15 10.059 7.983 -3.048 128 2HZ LYS 15 HZ2 LYS 15 9.805 9.608 -2.650 129 3HZ LYS 15 HZ3 LYS 15 9.108 8.961 -4.049 130 H ALA 16 HN ALA 16 4.210 5.617 2.263 131 HA ALA 16 HA ALA 16 2.254 7.699 2.053 132 1HB ALA 16 HB1 ALA 16 0.746 6.042 1.795 133 2HB ALA 16 HB2 ALA 16 1.417 5.079 3.113 134 3HB ALA 16 HB3 ALA 16 2.188 5.062 1.526 135 H THR 17 HN THR 17 3.513 5.692 4.688 136 HA THR 17 HA THR 17 1.754 6.656 6.678 137 HB THR 17 HB THR 17 2.963 4.581 6.995 138 HG1 THR 17 HG1 THR 17 2.479 5.968 8.844 139 1HG2 THR 17 HG21 THR 17 5.337 4.494 7.448 140 2HG2 THR 17 HG22 THR 17 5.480 6.223 7.131 141 3HG2 THR 17 HG23 THR 17 5.039 5.120 5.826 142 H GLU 18 HN GLU 18 5.050 7.606 5.759 143 HA GLU 18 HA GLU 18 5.337 9.601 7.741 144 1HB GLU 18 HB2 GLU 18 7.256 10.356 6.456 145 2HB GLU 18 HB1 GLU 18 7.244 8.601 6.546 146 1HG GLU 18 HG2 GLU 18 7.370 8.493 4.346 147 2HG GLU 18 HG1 GLU 18 5.824 9.329 4.217 148 H GLU 19 HN GLU 19 3.881 9.579 4.573 149 HA GLU 19 HA GLU 19 3.788 12.390 4.195 150 1HB GLU 19 HB2 GLU 19 2.478 10.024 2.946 151 2HB GLU 19 HB1 GLU 19 1.756 11.602 2.669 152 1HG GLU 19 HG2 GLU 19 4.630 10.917 2.105 153 2HG GLU 19 HG1 GLU 19 3.338 10.901 0.905 154 H ASP 20 HN ASP 20 1.454 10.043 5.479 155 HA ASP 20 HA ASP 20 -0.710 11.740 5.855 156 1HB ASP 20 HB2 ASP 20 0.181 9.163 6.987 157 2HB ASP 20 HB1 ASP 20 -0.950 10.069 7.990 158 H LYS 21 HN LYS 21 2.209 11.375 7.735 159 HA LYS 21 HA LYS 21 1.269 12.841 10.006 160 1HB LYS 21 HB2 LYS 21 3.864 11.702 9.109 161 2HB LYS 21 HB1 LYS 21 3.924 13.006 10.287 162 1HG LYS 21 HG2 LYS 21 3.273 11.675 11.944 163 2HG LYS 21 HG1 LYS 21 1.964 10.983 10.984 164 1HD LYS 21 HD2 LYS 21 3.143 9.137 10.569 165 2HD LYS 21 HD1 LYS 21 4.542 10.074 10.043 166 1HE LYS 21 HE2 LYS 21 5.527 9.191 11.859 167 2HE LYS 21 HE1 LYS 21 4.649 10.451 12.725 168 1HZ LYS 21 HZ1 LYS 21 4.483 7.983 13.476 169 2HZ LYS 21 HZ2 LYS 21 3.335 7.869 12.239 170 3HZ LYS 21 HZ3 LYS 21 3.107 8.968 13.504 171 H ALA 22 HN ALA 22 2.682 13.662 6.950 172 HA ALA 22 HA ALA 22 3.256 16.393 7.825 173 1HB ALA 22 HB1 ALA 22 3.808 15.036 5.188 174 2HB ALA 22 HB2 ALA 22 4.964 15.276 6.498 175 3HB ALA 22 HB3 ALA 22 4.313 16.667 5.633 176 H LYS 23 HN LYS 23 0.499 15.332 7.541 177 HA LYS 23 HA LYS 23 -1.531 15.994 6.755 178 1HB LYS 23 HB2 LYS 23 0.088 18.488 6.261 179 2HB LYS 23 HB1 LYS 23 -1.642 18.410 5.957 180 1HG LYS 23 HG2 LYS 23 -0.796 17.495 8.617 181 2HG LYS 23 HG1 LYS 23 -0.540 19.209 8.283 182 1HD LYS 23 HD2 LYS 23 -2.788 19.638 8.054 183 2HD LYS 23 HD1 LYS 23 -3.165 17.977 7.590 184 1HE LYS 23 HE2 LYS 23 -3.419 17.303 9.724 185 2HE LYS 23 HE1 LYS 23 -2.083 18.297 10.303 186 1HZ LYS 23 HZ1 LYS 23 -3.606 20.244 10.051 187 2HZ LYS 23 HZ2 LYS 23 -4.060 19.145 11.254 188 3HZ LYS 23 HZ3 LYS 23 -4.870 19.155 9.770 189 H ASN 24 HN ASN 24 0.217 14.549 4.954 190 HA ASN 24 HA ASN 24 -0.587 15.652 2.351 191 1HB ASN 24 HB2 ASN 24 1.689 13.944 3.243 192 2HB ASN 24 HB1 ASN 24 1.076 13.716 1.608 193 1HD2 ASN 24 HD21 ASN 24 0.846 15.737 0.315 194 2HD2 ASN 24 HD22 ASN 24 2.087 16.927 0.476 195 H TYR 25 HN TYR 25 -2.616 14.521 3.767 196 HA TYR 25 HA TYR 25 -3.095 11.817 3.576 197 1HB TYR 25 HB2 TYR 25 -4.893 14.213 3.462 198 2HB TYR 25 HB1 TYR 25 -5.566 12.605 3.218 199 HD1 TYR 25 HD1 TYR 25 -6.307 11.425 5.064 200 HD2 TYR 25 HD2 TYR 25 -3.383 14.467 5.610 201 HE1 TYR 25 HE1 TYR 25 -6.440 11.107 7.498 202 HE2 TYR 25 HE2 TYR 25 -3.508 14.159 8.046 203 HH TYR 25 HH TYR 25 -5.064 13.296 9.715 204 H GLU 26 HN GLU 26 -3.651 14.296 1.100 205 HA GLU 26 HA GLU 26 -4.843 12.657 -0.825 206 1HB GLU 26 HB2 GLU 26 -4.021 14.374 -2.466 207 2HB GLU 26 HB1 GLU 26 -4.931 15.024 -1.110 208 1HG GLU 26 HG2 GLU 26 -3.254 16.474 -0.921 209 2HG GLU 26 HG1 GLU 26 -2.372 15.141 -0.176 210 H GLU 27 HN GLU 27 -1.434 13.383 -0.211 211 HA GLU 27 HA GLU 27 -0.432 11.934 -2.436 212 1HB GLU 27 HB2 GLU 27 0.691 13.717 -0.823 213 2HB GLU 27 HB1 GLU 27 1.208 12.271 0.033 214 1HG GLU 27 HG2 GLU 27 2.943 12.252 -1.350 215 2HG GLU 27 HG1 GLU 27 1.814 11.685 -2.579 216 H ALA 28 HN ALA 28 -0.931 11.123 0.973 217 HA ALA 28 HA ALA 28 0.251 8.590 0.964 218 1HB ALA 28 HB1 ALA 28 -1.133 8.138 2.950 219 2HB ALA 28 HB2 ALA 28 -2.057 9.603 2.619 220 3HB ALA 28 HB3 ALA 28 -0.344 9.714 3.024 221 H LEU 29 HN LEU 29 -2.898 9.668 -0.109 222 HA LEU 29 HA LEU 29 -4.209 7.196 -0.240 223 1HB LEU 29 HB2 LEU 29 -5.274 9.438 -0.499 224 2HB LEU 29 HB1 LEU 29 -4.569 9.543 -2.102 225 HG LEU 29 HG LEU 29 -5.849 7.266 -2.469 226 1HD1 LEU 29 HD11 LEU 29 -7.667 8.577 -0.473 227 2HD1 LEU 29 HD12 LEU 29 -6.553 7.285 -0.024 228 3HD1 LEU 29 HD13 LEU 29 -7.815 6.987 -1.221 229 1HD2 LEU 29 HD21 LEU 29 -6.452 8.931 -3.915 230 2HD2 LEU 29 HD22 LEU 29 -6.789 10.085 -2.624 231 3HD2 LEU 29 HD23 LEU 29 -7.936 8.791 -2.973 232 H ARG 30 HN ARG 30 -2.339 8.929 -2.723 233 HA ARG 30 HA ARG 30 -2.593 6.853 -4.660 234 1HB ARG 30 HB2 ARG 30 -0.759 9.239 -4.450 235 2HB ARG 30 HB1 ARG 30 -0.721 8.124 -5.810 236 1HG ARG 30 HG2 ARG 30 -3.265 9.479 -5.003 237 2HG ARG 30 HG1 ARG 30 -2.079 10.293 -6.027 238 1HD ARG 30 HD2 ARG 30 -2.514 7.642 -7.008 239 2HD ARG 30 HD1 ARG 30 -4.069 8.441 -6.789 240 HE ARG 30 HE ARG 30 -2.130 10.065 -8.147 241 1HH1 ARG 30 HH11 ARG 30 -4.564 7.596 -8.544 242 2HH1 ARG 30 HH12 ARG 30 -4.860 7.979 -10.200 243 1HH2 ARG 30 HH21 ARG 30 -2.518 10.570 -10.330 244 2HH2 ARG 30 HH22 ARG 30 -3.698 9.666 -11.220 245 H LEU 31 HN LEU 31 -0.272 7.622 -2.157 246 HA LEU 31 HA LEU 31 1.765 5.846 -3.051 247 1HB LEU 31 HB2 LEU 31 1.237 7.487 -0.652 248 2HB LEU 31 HB1 LEU 31 2.256 6.082 -0.398 249 HG LEU 31 HG LEU 31 3.547 8.139 -0.843 250 1HD1 LEU 31 HD11 LEU 31 4.013 6.428 -3.225 251 2HD1 LEU 31 HD12 LEU 31 4.131 5.688 -1.629 252 3HD1 LEU 31 HD13 LEU 31 5.158 7.062 -2.043 253 1HD2 LEU 31 HD21 LEU 31 3.565 9.058 -3.126 254 2HD2 LEU 31 HD22 LEU 31 2.006 9.269 -2.329 255 3HD2 LEU 31 HD23 LEU 31 2.212 8.006 -3.544 256 H TYR 32 HN TYR 32 -0.934 5.565 -0.794 257 HA TYR 32 HA TYR 32 -0.226 2.980 0.163 258 1HB TYR 32 HB2 TYR 32 -2.477 4.848 0.475 259 2HB TYR 32 HB1 TYR 32 -2.924 3.149 0.594 260 HD1 TYR 32 HD1 TYR 32 -1.431 1.703 2.190 261 HD2 TYR 32 HD2 TYR 32 -1.702 5.945 2.363 262 HE1 TYR 32 HE1 TYR 32 -0.638 1.653 4.516 263 HE2 TYR 32 HE2 TYR 32 -0.909 5.907 4.690 264 HH TYR 32 HH TYR 32 0.402 3.085 6.139 265 H GLN 33 HN GLN 33 -2.610 4.113 -2.222 266 HA GLN 33 HA GLN 33 -3.638 1.613 -2.927 267 1HB GLN 33 HB2 GLN 33 -3.508 4.281 -4.259 268 2HB GLN 33 HB1 GLN 33 -4.007 2.893 -5.215 269 1HG GLN 33 HG2 GLN 33 -5.513 2.647 -2.927 270 2HG GLN 33 HG1 GLN 33 -5.458 4.390 -3.193 271 1HE2 GLN 33 HE21 GLN 33 -6.808 5.235 -4.625 272 2HE2 GLN 33 HE22 GLN 33 -7.746 4.346 -5.772 273 H HIS 34 HN HIS 34 -0.709 3.242 -3.897 274 HA HIS 34 HA HIS 34 -0.150 1.598 -6.155 275 1HB HIS 34 HB2 HIS 34 1.264 3.682 -4.606 276 2HB HIS 34 HB1 HIS 34 2.297 2.514 -5.425 277 HD1 HIS 34 HD1 HIS 34 2.892 3.151 -7.732 278 HD2 HIS 34 HD2 HIS 34 -0.727 4.822 -6.561 279 HE1 HIS 34 HE1 HIS 34 2.155 4.581 -9.665 280 HE2 HIS 34 HE2 HIS 34 0.007 5.650 -8.897 281 H ALA 35 HN ALA 35 0.883 1.551 -2.764 282 HA ALA 35 HA ALA 35 2.708 -0.561 -2.942 283 1HB ALA 35 HB1 ALA 35 2.942 0.377 -0.909 284 2HB ALA 35 HB2 ALA 35 1.770 -0.848 -0.425 285 3HB ALA 35 HB3 ALA 35 1.232 0.792 -0.786 286 H VAL 36 HN VAL 36 -0.790 -0.555 -2.537 287 HA VAL 36 HA VAL 36 -1.055 -3.319 -1.959 288 HB VAL 36 HB VAL 36 -3.137 -1.549 -3.239 289 1HG1 VAL 36 HG11 VAL 36 -3.115 -4.248 -2.080 290 2HG1 VAL 36 HG12 VAL 36 -4.204 -3.527 -3.266 291 3HG1 VAL 36 HG13 VAL 36 -4.442 -3.214 -1.547 292 1HG2 VAL 36 HG21 VAL 36 -2.032 -1.580 -0.505 293 2HG2 VAL 36 HG22 VAL 36 -3.791 -1.539 -0.628 294 3HG2 VAL 36 HG23 VAL 36 -2.824 -0.280 -1.396 295 H GLU 37 HN GLU 37 -0.897 -1.473 -4.931 296 HA GLU 37 HA GLU 37 -1.819 -3.532 -6.656 297 1HB GLU 37 HB2 GLU 37 -0.364 -0.945 -7.030 298 2HB GLU 37 HB1 GLU 37 -0.457 -2.078 -8.372 299 1HG GLU 37 HG2 GLU 37 -2.974 -1.407 -6.959 300 2HG GLU 37 HG1 GLU 37 -2.254 -0.175 -7.995 301 H TYR 38 HN TYR 38 1.333 -2.629 -5.403 302 HA TYR 38 HA TYR 38 2.824 -4.342 -7.133 303 1HB TYR 38 HB2 TYR 38 3.406 -2.686 -4.731 304 2HB TYR 38 HB1 TYR 38 4.534 -3.982 -5.111 305 HD1 TYR 38 HD1 TYR 38 2.941 -0.930 -6.490 306 HD2 TYR 38 HD2 TYR 38 6.122 -3.734 -6.834 307 HE1 TYR 38 HE1 TYR 38 4.025 0.514 -8.160 308 HE2 TYR 38 HE2 TYR 38 7.216 -2.297 -8.503 309 HH TYR 38 HH TYR 38 7.187 0.210 -9.076 310 H PHE 39 HN PHE 39 1.330 -4.690 -3.983 311 HA PHE 39 HA PHE 39 2.604 -7.153 -3.318 312 1HB PHE 39 HB2 PHE 39 0.387 -5.514 -2.211 313 2HB PHE 39 HB1 PHE 39 0.402 -7.223 -1.786 314 HD1 PHE 39 HD1 PHE 39 1.435 -4.082 -0.769 315 HD2 PHE 39 HD2 PHE 39 2.848 -8.085 -1.082 316 HE1 PHE 39 HE1 PHE 39 3.105 -3.627 0.981 317 HE2 PHE 39 HE2 PHE 39 4.519 -7.636 0.668 318 HZ PHE 39 HZ PHE 39 4.649 -5.404 1.701 319 H LEU 40 HN LEU 40 -0.517 -6.296 -4.757 320 HA LEU 40 HA LEU 40 -1.628 -8.861 -4.848 321 1HB LEU 40 HB2 LEU 40 -2.128 -6.268 -6.114 322 2HB LEU 40 HB1 LEU 40 -2.616 -7.633 -7.100 323 HG LEU 40 HG LEU 40 -3.482 -7.514 -4.240 324 1HD1 LEU 40 HD11 LEU 40 -4.087 -5.336 -5.004 325 2HD1 LEU 40 HD12 LEU 40 -5.540 -6.335 -5.023 326 3HD1 LEU 40 HD13 LEU 40 -4.696 -5.979 -6.529 327 1HD2 LEU 40 HD21 LEU 40 -3.803 -9.489 -5.841 328 2HD2 LEU 40 HD22 LEU 40 -5.006 -8.476 -6.638 329 3HD2 LEU 40 HD23 LEU 40 -5.210 -8.918 -4.943 330 H HIS 41 HN HIS 41 0.353 -7.137 -7.239 331 HA HIS 41 HA HIS 41 0.300 -9.162 -9.202 332 1HB HIS 41 HB2 HIS 41 0.988 -6.765 -9.557 333 2HB HIS 41 HB1 HIS 41 2.511 -7.149 -8.761 334 HD1 HIS 41 HD1 HIS 41 1.375 -6.638 -11.980 335 HD2 HIS 41 HD2 HIS 41 3.552 -9.719 -10.240 336 HE1 HIS 41 HE1 HIS 41 2.563 -7.780 -13.880 337 HE2 HIS 41 HE2 HIS 41 3.942 -9.584 -12.790 338 H ALA 42 HN ALA 42 2.467 -8.529 -6.493 339 HA ALA 42 HA ALA 42 4.473 -10.370 -7.116 340 1HB ALA 42 HB1 ALA 42 3.531 -9.496 -4.389 341 2HB ALA 42 HB2 ALA 42 4.725 -8.667 -5.390 342 3HB ALA 42 HB3 ALA 42 5.072 -10.270 -4.752 343 H ILE 43 HN ILE 43 1.468 -10.760 -5.282 344 HA ILE 43 HA ILE 43 1.927 -13.450 -4.514 345 HB ILE 43 HB ILE 43 -0.754 -12.110 -4.883 346 1HG1 ILE 43 HG12 ILE 43 0.531 -12.270 -2.210 347 2HG1 ILE 43 HG11 ILE 43 1.187 -11.080 -3.331 348 1HG2 ILE 43 HG21 ILE 43 0.181 -14.540 -3.378 349 2HG2 ILE 43 HG22 ILE 43 -1.117 -14.400 -4.565 350 3HG2 ILE 43 HG23 ILE 43 -1.315 -13.700 -2.960 351 1HD1 ILE 43 HD11 ILE 43 -1.205 -10.980 -1.755 352 2HD1 ILE 43 HD12 ILE 43 -1.585 -10.790 -3.466 353 3HD1 ILE 43 HD13 ILE 43 -0.421 -9.714 -2.691 354 H LYS 44 HN LYS 44 0.014 -12.040 -7.164 355 HA LYS 44 HA LYS 44 -0.909 -14.440 -8.256 356 1HB LYS 44 HB2 LYS 44 -1.354 -11.840 -8.802 357 2HB LYS 44 HB1 LYS 44 -0.283 -12.240 -10.130 358 1HG LYS 44 HG2 LYS 44 -1.945 -14.300 -10.330 359 2HG LYS 44 HG1 LYS 44 -3.041 -13.150 -9.577 360 1HD LYS 44 HD2 LYS 44 -1.451 -12.070 -11.790 361 2HD LYS 44 HD1 LYS 44 -2.591 -13.330 -12.250 362 1HE LYS 44 HE2 LYS 44 -3.981 -11.650 -10.490 363 2HE LYS 44 HE1 LYS 44 -3.087 -10.580 -11.580 364 1HZ LYS 44 HZ1 LYS 44 -4.825 -12.800 -12.500 365 2HZ LYS 44 HZ2 LYS 44 -4.088 -11.630 -13.460 366 3HZ LYS 44 HZ3 LYS 44 -5.325 -11.190 -12.390 367 H TYR 45 HN TYR 45 1.902 -12.470 -9.226 368 HA TYR 45 HA TYR 45 2.831 -14.410 -11.100 369 1HB TYR 45 HB2 TYR 45 3.781 -11.810 -10.050 370 2HB TYR 45 HB1 TYR 45 5.014 -12.890 -10.690 371 HD1 TYR 45 HD1 TYR 45 5.613 -12.420 -12.860 372 HD2 TYR 45 HD2 TYR 45 1.556 -11.870 -11.700 373 HE1 TYR 45 HE1 TYR 45 5.064 -11.690 -15.140 374 HE2 TYR 45 HE2 TYR 45 0.995 -11.140 -13.980 375 HH TYR 45 HH TYR 45 2.055 -10.250 -15.940 376 H GLU 46 HN GLU 46 4.348 -13.230 -8.097 377 HA GLU 46 HA GLU 46 5.772 -15.770 -7.880 378 1HB GLU 46 HB2 GLU 46 6.181 -13.060 -6.657 379 2HB GLU 46 HB1 GLU 46 6.968 -14.480 -5.987 380 1HG GLU 46 HG2 GLU 46 7.400 -14.500 -8.784 381 2HG GLU 46 HG1 GLU 46 7.759 -12.880 -8.189 382 H ALA 47 HN ALA 47 4.138 -17.110 -7.094 383 HA ALA 47 HA ALA 47 2.699 -16.370 -4.691 384 1HB ALA 47 HB1 ALA 47 1.632 -17.650 -6.534 385 2HB ALA 47 HB2 ALA 47 1.514 -18.440 -4.962 386 3HB ALA 47 HB3 ALA 47 2.689 -19.010 -6.149 387 H HIS 48 HN HIS 48 2.765 -17.570 -2.727 388 HA HIS 48 HA HIS 48 5.157 -19.230 -2.324 389 1HB HIS 48 HB2 HIS 48 4.678 -16.590 -1.224 390 2HB HIS 48 HB1 HIS 48 4.825 -17.790 0.064 391 HD1 HIS 48 HD1 HIS 48 6.768 -16.190 -2.718 392 HD2 HIS 48 HD2 HIS 48 7.375 -18.850 0.419 393 HE1 HIS 48 HE1 HIS 48 9.261 -16.460 -2.541 394 HE2 HIS 48 HE2 HIS 48 9.608 -18.010 -0.580 395 H SER 49 HN SER 49 4.921 -19.750 0.338 396 HA SER 49 HA SER 49 2.904 -21.710 0.401 397 1HB SER 49 HB2 SER 49 5.005 -20.750 2.190 398 2HB SER 49 HB1 SER 49 3.570 -21.290 3.057 399 HG SER 49 HG SER 49 3.779 -23.290 2.147 400 H ASP 50 HN ASP 50 1.288 -21.850 2.260 401 HA ASP 50 HA ASP 50 -0.647 -19.860 1.949 402 1HB ASP 50 HB2 ASP 50 -0.299 -22.220 3.712 403 2HB ASP 50 HB1 ASP 50 -1.467 -21.010 4.234 404 H LYS 51 HN LYS 51 1.935 -20.220 4.274 405 HA LYS 51 HA LYS 51 1.012 -18.380 6.199 406 1HB LYS 51 HB2 LYS 51 3.107 -20.100 6.062 407 2HB LYS 51 HB1 LYS 51 3.932 -18.570 5.805 408 1HG LYS 51 HG2 LYS 51 2.606 -17.800 7.898 409 2HG LYS 51 HG1 LYS 51 2.427 -19.530 8.196 410 1HD LYS 51 HD2 LYS 51 4.596 -19.780 8.756 411 2HD LYS 51 HD1 LYS 51 5.151 -18.660 7.513 412 1HE LYS 51 HE2 LYS 51 5.676 -17.680 9.609 413 2HE LYS 51 HE1 LYS 51 4.294 -16.800 8.962 414 1HZ LYS 51 HZ1 LYS 51 4.075 -17.340 11.337 415 2HZ LYS 51 HZ2 LYS 51 4.105 -18.980 10.961 416 3HZ LYS 51 HZ3 LYS 51 2.836 -18.010 10.406 417 H ALA 52 HN ALA 52 3.282 -17.990 3.487 418 HA ALA 52 HA ALA 52 3.577 -15.180 3.899 419 1HB ALA 52 HB1 ALA 52 5.178 -15.270 2.311 420 2HB ALA 52 HB2 ALA 52 4.206 -16.280 1.239 421 3HB ALA 52 HB3 ALA 52 5.057 -17.010 2.602 422 H LYS 53 HN LYS 53 1.554 -17.200 1.864 423 HA LYS 53 HA LYS 53 0.569 -15.140 0.194 424 1HB LYS 53 HB2 LYS 53 0.448 -17.760 -0.013 425 2HB LYS 53 HB1 LYS 53 -1.082 -17.550 0.826 426 1HG LYS 53 HG2 LYS 53 -2.010 -16.320 -0.925 427 2HG LYS 53 HG1 LYS 53 -0.434 -15.970 -1.638 428 1HD LYS 53 HD2 LYS 53 -0.190 -18.190 -2.427 429 2HD LYS 53 HD1 LYS 53 -1.531 -18.770 -1.435 430 1HE LYS 53 HE2 LYS 53 -3.100 -17.480 -2.770 431 2HE LYS 53 HE1 LYS 53 -1.773 -16.830 -3.732 432 1HZ LYS 53 HZ1 LYS 53 -3.079 -18.790 -4.665 433 2HZ LYS 53 HZ2 LYS 53 -2.238 -19.740 -3.544 434 3HZ LYS 53 HZ3 LYS 53 -1.390 -18.880 -4.728 435 H GLU 54 HN GLU 54 -0.474 -16.460 3.281 436 HA GLU 54 HA GLU 54 -2.950 -15.040 3.353 437 1HB GLU 54 HB2 GLU 54 -1.352 -16.600 5.354 438 2HB GLU 54 HB1 GLU 54 -2.726 -15.640 5.881 439 1HG GLU 54 HG2 GLU 54 -3.595 -17.130 3.662 440 2HG GLU 54 HG1 GLU 54 -2.686 -18.230 4.697 441 H SER 55 HN SER 55 0.302 -14.470 4.570 442 HA SER 55 HA SER 55 -0.296 -12.240 6.197 443 1HB SER 55 HB2 SER 55 2.188 -13.320 4.921 444 2HB SER 55 HB1 SER 55 2.225 -11.710 5.634 445 HG SER 55 HG SER 55 2.193 -14.140 6.848 446 H ILE 56 HN ILE 56 0.727 -12.480 2.809 447 HA ILE 56 HA ILE 56 0.791 -9.672 2.374 448 HB ILE 56 HB ILE 56 0.479 -11.830 0.288 449 1HG1 ILE 56 HG12 ILE 56 3.108 -10.610 1.059 450 2HG1 ILE 56 HG11 ILE 56 2.465 -11.950 1.996 451 1HG2 ILE 56 HG21 ILE 56 1.655 -10.150 -1.142 452 2HG2 ILE 56 HG22 ILE 56 1.467 -8.989 0.167 453 3HG2 ILE 56 HG23 ILE 56 0.043 -9.666 -0.622 454 1HD1 ILE 56 HD11 ILE 56 3.315 -11.900 -0.870 455 2HD1 ILE 56 HD12 ILE 56 2.250 -13.160 -0.245 456 3HD1 ILE 56 HD13 ILE 56 3.863 -12.950 0.436 457 H ARG 57 HN ARG 57 -1.623 -12.190 1.801 458 HA ARG 57 HA ARG 57 -3.468 -10.550 0.414 459 1HB ARG 57 HB2 ARG 57 -3.353 -13.150 0.647 460 2HB ARG 57 HB1 ARG 57 -4.315 -12.890 2.097 461 1HG ARG 57 HG2 ARG 57 -6.029 -13.140 0.666 462 2HG ARG 57 HG1 ARG 57 -5.735 -11.430 0.345 463 1HD ARG 57 HD2 ARG 57 -4.346 -12.010 -1.565 464 2HD ARG 57 HD1 ARG 57 -4.563 -13.730 -1.225 465 HE ARG 57 HE ARG 57 -6.623 -13.630 -2.220 466 1HH1 ARG 57 HH11 ARG 57 -5.529 -10.380 -1.568 467 2HH1 ARG 57 HH12 ARG 57 -6.819 -9.639 -2.451 468 1HH2 ARG 57 HH21 ARG 57 -8.319 -12.650 -3.383 469 2HH2 ARG 57 HH22 ARG 57 -8.402 -10.920 -3.482 470 H ALA 58 HN ALA 58 -2.982 -11.260 3.828 471 HA ALA 58 HA ALA 58 -5.372 -9.982 4.714 472 1HB ALA 58 HB1 ALA 58 -2.877 -10.610 6.286 473 2HB ALA 58 HB2 ALA 58 -4.221 -11.720 6.022 474 3HB ALA 58 HB3 ALA 58 -4.472 -10.240 6.945 475 H LYS 59 HN LYS 59 -2.112 -8.934 4.048 476 HA LYS 59 HA LYS 59 -2.255 -6.461 5.449 477 1HB LYS 59 HB2 LYS 59 -0.414 -7.697 3.466 478 2HB LYS 59 HB1 LYS 59 -0.353 -5.949 3.647 479 1HG LYS 59 HG2 LYS 59 0.460 -6.058 5.783 480 2HG LYS 59 HG1 LYS 59 -0.254 -7.642 6.092 481 1HD LYS 59 HD2 LYS 59 1.413 -8.741 4.810 482 2HD LYS 59 HD1 LYS 59 2.000 -7.217 4.142 483 1HE LYS 59 HE2 LYS 59 2.535 -6.582 6.566 484 2HE LYS 59 HE1 LYS 59 2.315 -8.294 6.927 485 1HZ LYS 59 HZ1 LYS 59 4.396 -6.993 5.303 486 2HZ LYS 59 HZ2 LYS 59 3.982 -8.603 4.992 487 3HZ LYS 59 HZ3 LYS 59 4.559 -8.160 6.519 488 H CYS 60 HN CYS 60 -2.996 -7.473 2.162 489 HA CYS 60 HA CYS 60 -3.319 -4.910 1.037 490 1HB CYS 60 HB2 CYS 60 -4.617 -7.535 0.277 491 2HB CYS 60 HB1 CYS 60 -4.634 -6.080 -0.714 492 HG CYS 60 HG CYS 60 -1.968 -6.353 -0.841 493 H VAL 61 HN VAL 61 -5.490 -6.992 2.847 494 HA VAL 61 HA VAL 61 -7.894 -5.629 2.309 495 HB VAL 61 HB VAL 61 -7.229 -7.103 4.857 496 1HG1 VAL 61 HG11 VAL 61 -9.724 -6.133 3.568 497 2HG1 VAL 61 HG12 VAL 61 -9.279 -6.192 5.274 498 3HG1 VAL 61 HG13 VAL 61 -9.779 -7.663 4.442 499 1HG2 VAL 61 HG21 VAL 61 -7.670 -8.077 2.106 500 2HG2 VAL 61 HG22 VAL 61 -8.545 -8.925 3.380 501 3HG2 VAL 61 HG23 VAL 61 -6.787 -8.811 3.445 502 H GLN 62 HN GLN 62 -5.565 -5.301 4.975 503 HA GLN 62 HA GLN 62 -7.012 -3.170 6.222 504 1HB GLN 62 HB2 GLN 62 -4.537 -4.672 6.721 505 2HB GLN 62 HB1 GLN 62 -4.471 -2.992 7.235 506 1HG GLN 62 HG2 GLN 62 -5.398 -3.720 9.120 507 2HG GLN 62 HG1 GLN 62 -6.898 -3.783 8.196 508 1HE2 GLN 62 HE21 GLN 62 -4.311 -5.614 9.596 509 2HE2 GLN 62 HE22 GLN 62 -5.035 -7.171 9.413 510 H TYR 63 HN TYR 63 -4.447 -3.397 3.863 511 HA TYR 63 HA TYR 63 -3.604 -0.683 4.027 512 1HB TYR 63 HB2 TYR 63 -3.189 -2.923 2.086 513 2HB TYR 63 HB1 TYR 63 -2.753 -1.286 1.608 514 HD1 TYR 63 HD1 TYR 63 -1.260 -4.106 2.544 515 HD2 TYR 63 HD2 TYR 63 -1.598 -0.109 3.961 516 HE1 TYR 63 HE1 TYR 63 0.890 -4.345 3.712 517 HE2 TYR 63 HE2 TYR 63 0.552 -0.336 5.132 518 HH TYR 63 HH TYR 63 2.761 -2.583 4.504 519 H LEU 64 HN LEU 64 -6.017 -2.399 2.133 520 HA LEU 64 HA LEU 64 -6.593 -0.201 0.397 521 1HB LEU 64 HB2 LEU 64 -7.821 -2.862 0.952 522 2HB LEU 64 HB1 LEU 64 -8.771 -1.662 0.097 523 HG LEU 64 HG LEU 64 -6.030 -2.201 -0.917 524 1HD1 LEU 64 HD11 LEU 64 -8.306 -4.041 -1.596 525 2HD1 LEU 64 HD12 LEU 64 -7.104 -4.430 -0.367 526 3HD1 LEU 64 HD13 LEU 64 -6.605 -4.187 -2.041 527 1HD2 LEU 64 HD21 LEU 64 -8.713 -1.540 -2.105 528 2HD2 LEU 64 HD22 LEU 64 -7.313 -1.979 -3.084 529 3HD2 LEU 64 HD23 LEU 64 -7.260 -0.541 -2.064 530 H ASP 65 HN ASP 65 -7.778 -1.304 3.490 531 HA ASP 65 HA ASP 65 -10.120 0.335 3.495 532 1HB ASP 65 HB2 ASP 65 -9.242 -1.789 5.008 533 2HB ASP 65 HB1 ASP 65 -9.066 -0.434 6.121 534 H ARG 66 HN ARG 66 -6.796 0.752 4.439 535 HA ARG 66 HA ARG 66 -7.225 3.084 6.038 536 1HB ARG 66 HB2 ARG 66 -4.866 1.625 4.959 537 2HB ARG 66 HB1 ARG 66 -4.636 3.302 5.434 538 1HG ARG 66 HG2 ARG 66 -6.069 1.677 7.403 539 2HG ARG 66 HG1 ARG 66 -4.409 1.166 7.093 540 1HD ARG 66 HD2 ARG 66 -4.075 2.706 8.759 541 2HD ARG 66 HD1 ARG 66 -3.905 3.726 7.330 542 HE ARG 66 HE ARG 66 -6.552 3.888 7.955 543 1HH1 ARG 66 HH11 ARG 66 -3.592 4.458 9.714 544 2HH1 ARG 66 HH12 ARG 66 -4.285 5.674 10.733 545 1HH2 ARG 66 HH21 ARG 66 -7.465 5.486 9.295 546 2HH2 ARG 66 HH22 ARG 66 -6.484 6.258 10.497 547 H ALA 67 HN ALA 67 -6.580 2.462 2.655 548 HA ALA 67 HA ALA 67 -5.968 5.185 1.999 549 1HB ALA 67 HB1 ALA 67 -6.814 2.998 0.107 550 2HB ALA 67 HB2 ALA 67 -5.167 3.193 0.709 551 3HB ALA 67 HB3 ALA 67 -5.904 4.461 -0.272 552 H GLU 68 HN GLU 68 -8.848 3.176 1.986 553 HA GLU 68 HA GLU 68 -10.510 4.831 0.462 554 1HB GLU 68 HB2 GLU 68 -10.930 2.668 2.461 555 2HB GLU 68 HB1 GLU 68 -12.300 3.692 2.083 556 1HG GLU 68 HG2 GLU 68 -10.690 2.319 -0.040 557 2HG GLU 68 HG1 GLU 68 -12.060 1.554 0.754 558 H LYS 69 HN LYS 69 -9.700 4.869 3.886 559 HA LYS 69 HA LYS 69 -11.630 6.850 4.594 560 1HB LYS 69 HB2 LYS 69 -9.344 5.506 5.941 561 2HB LYS 69 HB1 LYS 69 -9.894 7.035 6.611 562 1HG LYS 69 HG2 LYS 69 -12.120 6.144 6.899 563 2HG LYS 69 HG1 LYS 69 -11.630 4.627 6.141 564 1HD LYS 69 HD2 LYS 69 -10.430 3.944 7.965 565 2HD LYS 69 HD1 LYS 69 -10.090 5.593 8.492 566 1HE LYS 69 HE2 LYS 69 -11.610 4.983 10.083 567 2HE LYS 69 HE1 LYS 69 -12.700 5.643 8.863 568 1HZ LYS 69 HZ1 LYS 69 -13.720 3.677 9.171 569 2HZ LYS 69 HZ2 LYS 69 -12.330 2.894 9.729 570 3HZ LYS 69 HZ3 LYS 69 -12.570 3.117 8.069 571 H LEU 70 HN LEU 70 -8.349 6.912 3.418 572 HA LEU 70 HA LEU 70 -7.671 9.540 4.168 573 1HB LEU 70 HB2 LEU 70 -6.726 7.758 1.934 574 2HB LEU 70 HB1 LEU 70 -6.066 9.361 2.193 575 HG LEU 70 HG LEU 70 -6.002 7.137 4.233 576 1HD1 LEU 70 HD11 LEU 70 -3.522 8.116 2.978 577 2HD1 LEU 70 HD12 LEU 70 -4.571 7.133 1.957 578 3HD1 LEU 70 HD13 LEU 70 -3.974 6.490 3.487 579 1HD2 LEU 70 HD21 LEU 70 -5.097 9.974 4.203 580 2HD2 LEU 70 HD22 LEU 70 -4.138 8.781 5.080 581 3HD2 LEU 70 HD23 LEU 70 -5.830 9.035 5.504 582 H LYS 71 HN LYS 71 -9.043 8.264 1.143 583 HA LYS 71 HA LYS 71 -9.218 10.740 -0.184 584 1HB LYS 71 HB2 LYS 71 -9.563 8.207 -0.973 585 2HB LYS 71 HB1 LYS 71 -11.250 8.653 -0.767 586 1HG LYS 71 HG2 LYS 71 -11.020 10.453 -2.340 587 2HG LYS 71 HG1 LYS 71 -9.286 10.177 -2.461 588 1HD LYS 71 HD2 LYS 71 -9.906 7.812 -3.230 589 2HD LYS 71 HD1 LYS 71 -11.530 8.455 -3.459 590 1HE LYS 71 HE2 LYS 71 -10.670 10.131 -4.996 591 2HE LYS 71 HE1 LYS 71 -9.032 9.560 -4.729 592 1HZ LYS 71 HZ1 LYS 71 -11.190 7.861 -5.838 593 2HZ LYS 71 HZ2 LYS 71 -9.543 7.503 -5.768 594 3HZ LYS 71 HZ3 LYS 71 -10.100 8.726 -6.797 595 H ASP 72 HN ASP 72 -11.590 8.941 1.738 596 HA ASP 72 HA ASP 72 -13.740 10.708 1.382 597 1HB ASP 72 HB2 ASP 72 -13.260 8.334 2.812 598 2HB ASP 72 HB1 ASP 72 -13.790 9.509 4.010 599 H TYR 73 HN TYR 73 -10.970 10.842 3.482 600 HA TYR 73 HA TYR 73 -12.010 12.812 5.263 601 1HB TYR 73 HB2 TYR 73 -10.170 11.308 5.910 602 2HB TYR 73 HB1 TYR 73 -9.143 12.050 4.694 603 HD1 TYR 73 HD1 TYR 73 -10.470 12.302 8.041 604 HD2 TYR 73 HD2 TYR 73 -8.462 14.445 4.965 605 HE1 TYR 73 HE1 TYR 73 -9.753 13.980 9.689 606 HE2 TYR 73 HE2 TYR 73 -7.736 16.129 6.604 607 HH TYR 73 HH TYR 73 -8.060 15.661 9.987 608 H LEU 74 HN LEU 74 -9.720 12.967 2.539 609 HA LEU 74 HA LEU 74 -9.452 15.794 2.662 610 1HB LEU 74 HB2 LEU 74 -8.370 15.564 0.446 611 2HB LEU 74 HB1 LEU 74 -7.695 14.509 1.672 612 HG LEU 74 HG LEU 74 -9.459 12.808 0.588 613 1HD1 LEU 74 HD11 LEU 74 -10.100 14.673 -1.036 614 2HD1 LEU 74 HD12 LEU 74 -9.760 13.081 -1.713 615 3HD1 LEU 74 HD13 LEU 74 -8.553 14.363 -1.810 616 1HD2 LEU 74 HD21 LEU 74 -7.165 12.258 0.844 617 2HD2 LEU 74 HD22 LEU 74 -6.674 13.465 -0.343 618 3HD2 LEU 74 HD23 LEU 74 -7.557 12.028 -0.860 619 H ARG 75 HN ARG 75 -11.540 13.624 0.846 620 HA ARG 75 HA ARG 75 -12.580 15.581 -0.921 621 1HB ARG 75 HB2 ARG 75 -13.220 12.802 -0.191 622 2HB ARG 75 HB1 ARG 75 -14.600 13.748 -0.722 623 1HG ARG 75 HG2 ARG 75 -13.050 14.407 -2.703 624 2HG ARG 75 HG1 ARG 75 -12.150 12.963 -2.235 625 1HD ARG 75 HD2 ARG 75 -14.440 11.781 -2.294 626 2HD ARG 75 HD1 ARG 75 -14.980 13.190 -3.203 627 HE ARG 75 HE ARG 75 -12.600 12.066 -4.293 628 1HH1 ARG 75 HH11 ARG 75 -16.070 11.705 -4.170 629 2HH1 ARG 75 HH12 ARG 75 -16.160 10.889 -5.695 630 1HH2 ARG 75 HH21 ARG 75 -12.720 10.993 -6.299 631 2HH2 ARG 75 HH22 ARG 75 -14.260 10.484 -6.902 632 H SER 76 HN SER 76 -13.820 14.228 2.124 633 HA SER 76 HA SER 76 -16.170 15.776 2.225 634 1HB SER 76 HB2 SER 76 -14.550 14.316 4.301 635 2HB SER 76 HB1 SER 76 -15.950 15.285 4.765 636 HG SER 76 HG SER 76 -16.810 13.333 4.387 637 H LYS 77 HN LYS 77 -13.100 16.222 3.997 638 HA LYS 77 HA LYS 77 -13.850 18.837 4.897 639 1HB LYS 77 HB2 LYS 77 -12.030 16.967 5.729 640 2HB LYS 77 HB1 LYS 77 -10.990 18.168 4.968 641 1HG LYS 77 HG2 LYS 77 -11.640 19.842 6.458 642 2HG LYS 77 HG1 LYS 77 -13.070 18.954 6.976 643 1HD LYS 77 HD2 LYS 77 -11.070 17.213 7.623 644 2HD LYS 77 HD1 LYS 77 -10.300 18.773 7.910 645 1HE LYS 77 HE2 LYS 77 -12.680 19.216 9.081 646 2HE LYS 77 HE1 LYS 77 -12.550 17.473 9.319 647 1HZ LYS 77 HZ1 LYS 77 -10.530 19.488 10.148 648 2HZ LYS 77 HZ2 LYS 77 -10.400 17.817 10.372 649 3HZ LYS 77 HZ3 LYS 77 -11.600 18.685 11.178 Start of MODEL 4 1 1H MET 1 HT1 MET 1 22.949 -6.568 -4.267 2 2H MET 1 HT2 MET 1 22.254 -8.096 -3.907 3 3H MET 1 HT3 MET 1 22.920 -7.136 -2.650 4 HA MET 1 HA MET 1 20.516 -7.100 -2.700 5 1HB MET 1 HB2 MET 1 22.301 -5.111 -2.234 6 2HB MET 1 HB1 MET 1 21.301 -4.353 -3.465 7 1HG MET 1 HG2 MET 1 19.392 -5.338 -1.846 8 2HG MET 1 HG1 MET 1 20.677 -5.044 -0.677 9 1HE MET 1 HE1 MET 1 18.551 -3.927 0.129 10 2HE MET 1 HE2 MET 1 17.958 -2.348 -0.386 11 3HE MET 1 HE3 MET 1 19.393 -2.461 0.633 12 H THR 2 HN THR 2 18.624 -6.757 -3.795 13 HA THR 2 HA THR 2 18.750 -5.758 -6.541 14 HB THR 2 HB THR 2 17.243 -7.666 -7.249 15 HG1 THR 2 HG1 THR 2 17.354 -9.530 -5.943 16 1HG2 THR 2 HG21 THR 2 19.634 -7.636 -7.838 17 2HG2 THR 2 HG22 THR 2 18.996 -9.265 -7.610 18 3HG2 THR 2 HG23 THR 2 19.984 -8.520 -6.353 19 H THR 3 HN THR 3 16.487 -5.491 -7.453 20 HA THR 3 HA THR 3 14.750 -4.447 -5.323 21 HB THR 3 HB THR 3 14.741 -3.734 -8.261 22 HG1 THR 3 HG1 THR 3 16.489 -2.705 -7.712 23 1HG2 THR 3 HG21 THR 3 13.421 -2.438 -5.891 24 2HG2 THR 3 HG22 THR 3 12.629 -3.206 -7.268 25 3HG2 THR 3 HG23 THR 3 13.543 -1.715 -7.494 26 H SER 4 HN SER 4 13.216 -5.866 -4.802 27 HA SER 4 HA SER 4 11.970 -7.458 -6.934 28 1HB SER 4 HB2 SER 4 13.000 -8.345 -4.599 29 2HB SER 4 HB1 SER 4 11.334 -8.050 -4.100 30 HG SER 4 HG SER 4 11.664 -10.170 -4.923 31 H THR 5 HN THR 5 9.576 -8.032 -6.293 32 HA THR 5 HA THR 5 8.126 -5.577 -6.410 33 HB THR 5 HB THR 5 6.980 -8.339 -6.001 34 HG1 THR 5 HG1 THR 5 7.887 -8.752 -7.844 35 1HG2 THR 5 HG21 THR 5 5.402 -6.435 -5.834 36 2HG2 THR 5 HG22 THR 5 5.057 -7.541 -7.163 37 3HG2 THR 5 HG23 THR 5 5.834 -5.990 -7.484 38 H LEU 6 HN LEU 6 8.813 -7.936 -3.918 39 HA LEU 6 HA LEU 6 6.874 -7.033 -2.049 40 1HB LEU 6 HB2 LEU 6 9.260 -8.800 -1.979 41 2HB LEU 6 HB1 LEU 6 8.698 -8.155 -0.449 42 HG LEU 6 HG LEU 6 6.666 -9.421 -2.204 43 1HD1 LEU 6 HD11 LEU 6 8.511 -11.100 -0.529 44 2HD1 LEU 6 HD12 LEU 6 8.714 -10.890 -2.269 45 3HD1 LEU 6 HD13 LEU 6 7.246 -11.630 -1.634 46 1HD2 LEU 6 HD21 LEU 6 5.895 -8.527 -0.150 47 2HD2 LEU 6 HD22 LEU 6 7.215 -9.273 0.750 48 3HD2 LEU 6 HD23 LEU 6 5.944 -10.270 0.055 49 H GLN 7 HN GLN 7 10.250 -6.213 -2.657 50 HA GLN 7 HA GLN 7 10.570 -4.555 -0.373 51 1HB GLN 7 HB2 GLN 7 12.288 -5.617 -2.166 52 2HB GLN 7 HB1 GLN 7 12.189 -3.974 -2.783 53 1HG GLN 7 HG2 GLN 7 14.008 -3.957 -1.328 54 2HG GLN 7 HG1 GLN 7 12.697 -3.220 -0.410 55 1HE2 GLN 7 HE21 GLN 7 12.245 -4.019 1.525 56 2HE2 GLN 7 HE22 GLN 7 12.834 -5.514 2.159 57 H LYS 8 HN LYS 8 9.642 -3.943 -3.725 58 HA LYS 8 HA LYS 8 9.627 -1.121 -3.549 59 1HB LYS 8 HB2 LYS 8 8.520 -3.143 -5.437 60 2HB LYS 8 HB1 LYS 8 7.892 -1.504 -5.527 61 1HG LYS 8 HG2 LYS 8 10.760 -1.457 -5.397 62 2HG LYS 8 HG1 LYS 8 10.219 -2.515 -6.702 63 1HD LYS 8 HD2 LYS 8 10.131 -0.586 -7.871 64 2HD LYS 8 HD1 LYS 8 8.567 -0.413 -7.071 65 1HE LYS 8 HE2 LYS 8 9.627 0.909 -5.301 66 2HE LYS 8 HE1 LYS 8 11.185 0.741 -6.110 67 1HZ LYS 8 HZ1 LYS 8 9.499 2.789 -6.479 68 2HZ LYS 8 HZ2 LYS 8 9.063 1.789 -7.771 69 3HZ LYS 8 HZ3 LYS 8 10.666 2.305 -7.605 70 H ALA 9 HN ALA 9 7.299 -3.580 -2.710 71 HA ALA 9 HA ALA 9 5.047 -1.841 -2.511 72 1HB ALA 9 HB1 ALA 9 3.938 -3.704 -1.422 73 2HB ALA 9 HB2 ALA 9 5.482 -4.532 -1.222 74 3HB ALA 9 HB3 ALA 9 4.827 -4.267 -2.838 75 H ILE 10 HN ILE 10 7.401 -3.110 -0.190 76 HA ILE 10 HA ILE 10 6.179 -1.967 2.104 77 HB ILE 10 HB ILE 10 9.084 -2.717 1.771 78 1HG1 ILE 10 HG12 ILE 10 7.036 -4.522 3.000 79 2HG1 ILE 10 HG11 ILE 10 7.190 -4.469 1.246 80 1HG2 ILE 10 HG21 ILE 10 8.638 -1.384 3.751 81 2HG2 ILE 10 HG22 ILE 10 9.010 -3.048 4.202 82 3HG2 ILE 10 HG23 ILE 10 7.339 -2.481 4.219 83 1HD1 ILE 10 HD11 ILE 10 9.142 -5.576 1.257 84 2HD1 ILE 10 HD12 ILE 10 8.569 -6.141 2.826 85 3HD1 ILE 10 HD13 ILE 10 9.703 -4.794 2.734 86 H ASP 11 HN ASP 11 8.460 -0.794 -0.264 87 HA ASP 11 HA ASP 11 9.396 1.438 1.225 88 1HB ASP 11 HB2 ASP 11 10.270 0.268 -1.010 89 2HB ASP 11 HB1 ASP 11 9.323 1.555 -1.750 90 H LEU 12 HN LEU 12 6.619 0.863 -0.806 91 HA LEU 12 HA LEU 12 5.929 3.625 -1.125 92 1HB LEU 12 HB2 LEU 12 4.746 1.011 -1.839 93 2HB LEU 12 HB1 LEU 12 3.612 2.332 -1.629 94 HG LEU 12 HG LEU 12 4.293 2.040 -3.976 95 1HD1 LEU 12 HD11 LEU 12 3.825 4.320 -2.751 96 2HD1 LEU 12 HD12 LEU 12 4.353 4.277 -4.433 97 3HD1 LEU 12 HD13 LEU 12 5.515 4.622 -3.152 98 1HD2 LEU 12 HD21 LEU 12 6.446 1.286 -4.081 99 2HD2 LEU 12 HD22 LEU 12 6.995 2.334 -2.773 100 3HD2 LEU 12 HD23 LEU 12 6.715 3.003 -4.381 101 H VAL 13 HN VAL 13 5.199 1.109 1.184 102 HA VAL 13 HA VAL 13 2.996 2.456 2.410 103 HB VAL 13 HB VAL 13 4.733 0.298 3.613 104 1HG1 VAL 13 HG11 VAL 13 2.892 -0.155 5.059 105 2HG1 VAL 13 HG12 VAL 13 1.854 0.972 4.186 106 3HG1 VAL 13 HG13 VAL 13 3.209 1.578 5.137 107 1HG2 VAL 13 HG21 VAL 13 3.479 -1.333 2.569 108 2HG2 VAL 13 HG22 VAL 13 3.596 -0.114 1.300 109 3HG2 VAL 13 HG23 VAL 13 2.124 -0.246 2.263 110 H THR 14 HN THR 14 6.460 2.460 2.847 111 HA THR 14 HA THR 14 6.465 3.683 5.420 112 HB THR 14 HB THR 14 8.703 3.868 3.414 113 HG1 THR 14 HG1 THR 14 8.736 1.784 3.401 114 1HG2 THR 14 HG21 THR 14 9.033 5.035 5.539 115 2HG2 THR 14 HG22 THR 14 10.144 3.679 5.342 116 3HG2 THR 14 HG23 THR 14 8.743 3.525 6.402 117 H LYS 15 HN LYS 15 6.584 4.888 2.113 118 HA LYS 15 HA LYS 15 7.090 7.601 2.841 119 1HB LYS 15 HB2 LYS 15 6.607 6.089 0.379 120 2HB LYS 15 HB1 LYS 15 5.927 7.710 0.346 121 1HG LYS 15 HG2 LYS 15 8.196 8.543 1.070 122 2HG LYS 15 HG1 LYS 15 8.796 6.915 0.748 123 1HD LYS 15 HD2 LYS 15 8.717 7.197 -1.483 124 2HD LYS 15 HD1 LYS 15 7.187 8.076 -1.416 125 1HE LYS 15 HE2 LYS 15 8.206 10.109 -1.184 126 2HE LYS 15 HE1 LYS 15 9.622 9.430 -0.383 127 1HZ LYS 15 HZ1 LYS 15 9.911 8.351 -2.768 128 2HZ LYS 15 HZ2 LYS 15 10.531 9.878 -2.388 129 3HZ LYS 15 HZ3 LYS 15 9.069 9.744 -3.227 130 H ALA 16 HN ALA 16 4.232 5.647 2.433 131 HA ALA 16 HA ALA 16 2.386 7.822 2.285 132 1HB ALA 16 HB1 ALA 16 2.243 5.112 1.832 133 2HB ALA 16 HB2 ALA 16 0.882 6.234 1.842 134 3HB ALA 16 HB3 ALA 16 1.285 5.324 3.298 135 H THR 17 HN THR 17 3.382 5.608 4.882 136 HA THR 17 HA THR 17 1.709 6.603 6.885 137 HB THR 17 HB THR 17 2.886 4.515 7.178 138 HG1 THR 17 HG1 THR 17 2.457 5.902 9.050 139 1HG2 THR 17 HG21 THR 17 4.959 5.059 5.985 140 2HG2 THR 17 HG22 THR 17 5.255 4.358 7.576 141 3HG2 THR 17 HG23 THR 17 5.441 6.095 7.329 142 H GLU 18 HN GLU 18 5.025 7.538 6.018 143 HA GLU 18 HA GLU 18 5.308 9.492 8.041 144 1HB GLU 18 HB2 GLU 18 7.242 10.266 6.758 145 2HB GLU 18 HB1 GLU 18 7.232 8.513 6.886 146 1HG GLU 18 HG2 GLU 18 6.266 8.396 4.613 147 2HG GLU 18 HG1 GLU 18 6.417 10.148 4.495 148 H GLU 19 HN GLU 19 4.113 9.613 4.732 149 HA GLU 19 HA GLU 19 3.984 12.414 4.476 150 1HB GLU 19 HB2 GLU 19 2.674 10.105 3.105 151 2HB GLU 19 HB1 GLU 19 2.052 11.723 2.811 152 1HG GLU 19 HG2 GLU 19 4.922 10.909 2.420 153 2HG GLU 19 HG1 GLU 19 3.711 10.954 1.141 154 H ASP 20 HN ASP 20 1.536 10.044 5.490 155 HA ASP 20 HA ASP 20 -0.608 11.761 5.850 156 1HB ASP 20 HB2 ASP 20 -0.026 9.068 6.426 157 2HB ASP 20 HB1 ASP 20 -0.567 9.776 7.945 158 H LYS 21 HN LYS 21 2.223 11.309 7.821 159 HA LYS 21 HA LYS 21 1.185 12.552 10.171 160 1HB LYS 21 HB2 LYS 21 3.582 11.227 9.404 161 2HB LYS 21 HB1 LYS 21 4.029 12.803 10.043 162 1HG LYS 21 HG2 LYS 21 3.989 11.731 12.011 163 2HG LYS 21 HG1 LYS 21 2.250 12.018 11.909 164 1HD LYS 21 HD2 LYS 21 1.783 9.840 11.558 165 2HD LYS 21 HD1 LYS 21 3.199 9.598 10.533 166 1HE LYS 21 HE2 LYS 21 4.487 8.922 12.252 167 2HE LYS 21 HE1 LYS 21 3.785 10.089 13.371 168 1HZ LYS 21 HZ1 LYS 21 2.919 8.218 14.254 169 2HZ LYS 21 HZ2 LYS 21 2.988 7.347 12.806 170 3HZ LYS 21 HZ3 LYS 21 1.733 8.449 13.070 171 H ALA 22 HN ALA 22 2.720 13.686 7.254 172 HA ALA 22 HA ALA 22 2.995 16.384 8.357 173 1HB ALA 22 HB1 ALA 22 4.264 16.899 6.356 174 2HB ALA 22 HB2 ALA 22 3.884 15.314 5.681 175 3HB ALA 22 HB3 ALA 22 4.896 15.441 7.121 176 H LYS 23 HN LYS 23 0.378 15.140 7.744 177 HA LYS 23 HA LYS 23 -1.616 15.681 6.795 178 1HB LYS 23 HB2 LYS 23 -0.159 18.230 7.075 179 2HB LYS 23 HB1 LYS 23 -1.503 18.265 5.943 180 1HG LYS 23 HG2 LYS 23 -2.870 18.560 7.656 181 2HG LYS 23 HG1 LYS 23 -2.462 16.936 8.212 182 1HD LYS 23 HD2 LYS 23 -0.466 17.971 9.369 183 2HD LYS 23 HD1 LYS 23 -1.177 19.544 9.001 184 1HE LYS 23 HE2 LYS 23 -3.076 19.105 10.335 185 2HE LYS 23 HE1 LYS 23 -2.686 17.390 10.459 186 1HZ LYS 23 HZ1 LYS 23 -0.933 17.826 11.917 187 2HZ LYS 23 HZ2 LYS 23 -2.174 18.840 12.455 188 3HZ LYS 23 HZ3 LYS 23 -0.896 19.477 11.550 189 H ASN 24 HN ASN 24 -0.393 14.186 5.093 190 HA ASN 24 HA ASN 24 -0.626 15.553 2.494 191 1HB ASN 24 HB2 ASN 24 1.361 13.490 3.415 192 2HB ASN 24 HB1 ASN 24 0.998 13.701 1.705 193 1HD2 ASN 24 HD21 ASN 24 1.786 15.442 0.630 194 2HD2 ASN 24 HD22 ASN 24 2.869 16.594 1.330 195 H TYR 25 HN TYR 25 -2.856 14.494 3.646 196 HA TYR 25 HA TYR 25 -3.465 11.833 3.224 197 1HB TYR 25 HB2 TYR 25 -5.262 14.245 2.898 198 2HB TYR 25 HB1 TYR 25 -5.829 12.583 3.012 199 HD1 TYR 25 HD1 TYR 25 -4.414 15.413 4.847 200 HD2 TYR 25 HD2 TYR 25 -5.747 11.382 5.132 201 HE1 TYR 25 HE1 TYR 25 -4.459 15.607 7.299 202 HE2 TYR 25 HE2 TYR 25 -5.795 11.565 7.583 203 HH TYR 25 HH TYR 25 -4.395 14.206 9.258 204 H GLU 26 HN GLU 26 -3.201 14.429 0.905 205 HA GLU 26 HA GLU 26 -4.512 13.103 -1.243 206 1HB GLU 26 HB2 GLU 26 -2.831 15.530 -0.920 207 2HB GLU 26 HB1 GLU 26 -2.908 14.832 -2.532 208 1HG GLU 26 HG2 GLU 26 -5.510 15.105 -1.232 209 2HG GLU 26 HG1 GLU 26 -4.672 16.632 -1.503 210 H GLU 27 HN GLU 27 -1.070 13.609 -0.477 211 HA GLU 27 HA GLU 27 -0.103 12.027 -2.616 212 1HB GLU 27 HB2 GLU 27 1.114 13.797 -1.136 213 2HB GLU 27 HB1 GLU 27 1.436 12.433 -0.074 214 1HG GLU 27 HG2 GLU 27 3.316 12.389 -1.345 215 2HG GLU 27 HG1 GLU 27 2.286 11.328 -2.304 216 H ALA 28 HN ALA 28 -0.794 11.336 0.780 217 HA ALA 28 HA ALA 28 0.282 8.762 0.915 218 1HB ALA 28 HB1 ALA 28 -0.301 9.715 2.960 219 2HB ALA 28 HB2 ALA 28 -1.509 8.450 2.733 220 3HB ALA 28 HB3 ALA 28 -1.924 10.134 2.412 221 H LEU 29 HN LEU 29 -2.806 9.907 -0.303 222 HA LEU 29 HA LEU 29 -4.136 7.448 -0.491 223 1HB LEU 29 HB2 LEU 29 -5.126 9.750 -0.780 224 2HB LEU 29 HB1 LEU 29 -4.434 9.771 -2.390 225 HG LEU 29 HG LEU 29 -5.789 7.493 -2.608 226 1HD1 LEU 29 HD11 LEU 29 -7.401 9.073 -0.610 227 2HD1 LEU 29 HD12 LEU 29 -6.576 7.550 -0.282 228 3HD1 LEU 29 HD13 LEU 29 -7.907 7.601 -1.437 229 1HD2 LEU 29 HD21 LEU 29 -7.226 8.644 -3.955 230 2HD2 LEU 29 HD22 LEU 29 -5.976 9.870 -3.746 231 3HD2 LEU 29 HD23 LEU 29 -7.456 9.947 -2.789 232 H ARG 30 HN ARG 30 -2.020 9.125 -2.784 233 HA ARG 30 HA ARG 30 -2.276 7.074 -4.781 234 1HB ARG 30 HB2 ARG 30 -0.708 9.599 -4.499 235 2HB ARG 30 HB1 ARG 30 -0.181 8.413 -5.685 236 1HG ARG 30 HG2 ARG 30 -1.558 9.870 -6.875 237 2HG ARG 30 HG1 ARG 30 -2.577 8.465 -6.554 238 1HD ARG 30 HD2 ARG 30 -3.110 9.950 -4.370 239 2HD ARG 30 HD1 ARG 30 -2.773 11.228 -5.537 240 HE ARG 30 HE ARG 30 -5.055 9.480 -5.485 241 1HH1 ARG 30 HH11 ARG 30 -3.053 11.512 -7.495 242 2HH1 ARG 30 HH12 ARG 30 -4.291 11.778 -8.676 243 1HH2 ARG 30 HH21 ARG 30 -6.685 9.829 -7.037 244 2HH2 ARG 30 HH22 ARG 30 -6.353 10.823 -8.415 245 H LEU 31 HN LEU 31 -0.065 7.835 -2.185 246 HA LEU 31 HA LEU 31 2.027 6.093 -3.016 247 1HB LEU 31 HB2 LEU 31 1.408 7.760 -0.684 248 2HB LEU 31 HB1 LEU 31 2.317 6.311 -0.295 249 HG LEU 31 HG LEU 31 3.770 8.259 -0.678 250 1HD1 LEU 31 HD11 LEU 31 4.344 6.509 -2.998 251 2HD1 LEU 31 HD12 LEU 31 4.232 5.747 -1.412 252 3HD1 LEU 31 HD13 LEU 31 5.398 7.041 -1.689 253 1HD2 LEU 31 HD21 LEU 31 3.745 9.541 -2.541 254 2HD2 LEU 31 HD22 LEU 31 2.068 8.999 -2.607 255 3HD2 LEU 31 HD23 LEU 31 3.292 8.200 -3.594 256 H TYR 32 HN TYR 32 -0.781 5.740 -0.915 257 HA TYR 32 HA TYR 32 -0.065 3.116 -0.014 258 1HB TYR 32 HB2 TYR 32 -2.223 5.028 0.453 259 2HB TYR 32 HB1 TYR 32 -2.794 3.364 0.391 260 HD1 TYR 32 HD1 TYR 32 -1.068 1.703 1.727 261 HD2 TYR 32 HD2 TYR 32 -1.766 5.816 2.562 262 HE1 TYR 32 HE1 TYR 32 -0.317 1.354 4.042 263 HE2 TYR 32 HE2 TYR 32 -1.015 5.478 4.879 264 HH TYR 32 HH TYR 32 0.321 3.959 6.180 265 H GLN 33 HN GLN 33 -2.355 4.405 -2.400 266 HA GLN 33 HA GLN 33 -3.509 1.985 -3.179 267 1HB GLN 33 HB2 GLN 33 -3.099 4.606 -4.594 268 2HB GLN 33 HB1 GLN 33 -3.863 3.246 -5.407 269 1HG GLN 33 HG2 GLN 33 -5.550 3.173 -3.597 270 2HG GLN 33 HG1 GLN 33 -4.819 4.623 -2.909 271 1HE2 GLN 33 HE21 GLN 33 -6.934 3.355 -5.265 272 2HE2 GLN 33 HE22 GLN 33 -7.387 4.851 -5.999 273 H HIS 34 HN HIS 34 -0.448 3.429 -4.016 274 HA HIS 34 HA HIS 34 0.077 1.808 -6.298 275 1HB HIS 34 HB2 HIS 34 1.537 3.781 -4.674 276 2HB HIS 34 HB1 HIS 34 2.557 2.534 -5.387 277 HD1 HIS 34 HD1 HIS 34 3.300 2.976 -7.705 278 HD2 HIS 34 HD2 HIS 34 -0.137 5.105 -6.747 279 HE1 HIS 34 HE1 HIS 34 2.834 4.434 -9.700 280 HE2 HIS 34 HE2 HIS 34 0.696 5.640 -9.137 281 H ALA 35 HN ALA 35 1.086 1.628 -2.895 282 HA ALA 35 HA ALA 35 2.693 -0.654 -3.111 283 1HB ALA 35 HB1 ALA 35 1.819 -0.873 -0.585 284 2HB ALA 35 HB2 ALA 35 1.362 0.799 -0.913 285 3HB ALA 35 HB3 ALA 35 3.043 0.294 -1.089 286 H VAL 36 HN VAL 36 -0.771 -0.290 -2.871 287 HA VAL 36 HA VAL 36 -1.365 -2.974 -2.159 288 HB VAL 36 HB VAL 36 -3.158 -1.047 -3.639 289 1HG1 VAL 36 HG11 VAL 36 -4.972 -2.336 -2.649 290 2HG1 VAL 36 HG12 VAL 36 -3.804 -3.397 -1.861 291 3HG1 VAL 36 HG13 VAL 36 -3.927 -3.373 -3.620 292 1HG2 VAL 36 HG21 VAL 36 -3.576 0.096 -1.749 293 2HG2 VAL 36 HG22 VAL 36 -2.010 -0.528 -1.230 294 3HG2 VAL 36 HG23 VAL 36 -3.492 -1.346 -0.738 295 H GLU 37 HN GLU 37 -0.977 -1.293 -5.228 296 HA GLU 37 HA GLU 37 -1.937 -3.414 -6.860 297 1HB GLU 37 HB2 GLU 37 -0.362 -0.915 -7.350 298 2HB GLU 37 HB1 GLU 37 -0.501 -2.116 -8.626 299 1HG GLU 37 HG2 GLU 37 -3.048 -1.442 -7.379 300 2HG GLU 37 HG1 GLU 37 -2.253 -0.073 -8.152 301 H TYR 38 HN TYR 38 1.173 -2.616 -5.483 302 HA TYR 38 HA TYR 38 2.694 -4.402 -7.108 303 1HB TYR 38 HB2 TYR 38 3.197 -2.744 -4.692 304 2HB TYR 38 HB1 TYR 38 4.285 -4.098 -4.977 305 HD1 TYR 38 HD1 TYR 38 6.045 -3.899 -6.507 306 HD2 TYR 38 HD2 TYR 38 2.887 -1.051 -6.586 307 HE1 TYR 38 HE1 TYR 38 7.317 -2.542 -8.117 308 HE2 TYR 38 HE2 TYR 38 4.148 0.313 -8.196 309 HH TYR 38 HH TYR 38 7.237 0.175 -8.702 310 H PHE 39 HN PHE 39 1.042 -4.651 -4.020 311 HA PHE 39 HA PHE 39 2.156 -7.162 -3.279 312 1HB PHE 39 HB2 PHE 39 -0.148 -5.501 -2.338 313 2HB PHE 39 HB1 PHE 39 -0.024 -7.175 -1.805 314 HD1 PHE 39 HD1 PHE 39 0.661 -3.958 -0.864 315 HD2 PHE 39 HD2 PHE 39 2.550 -7.764 -1.094 316 HE1 PHE 39 HE1 PHE 39 2.243 -3.274 0.891 317 HE2 PHE 39 HE2 PHE 39 4.136 -7.088 0.663 318 HZ PHE 39 HZ PHE 39 3.983 -4.840 1.658 319 H LEU 40 HN LEU 40 -0.944 -6.220 -4.746 320 HA LEU 40 HA LEU 40 -2.056 -8.776 -4.937 321 1HB LEU 40 HB2 LEU 40 -2.470 -6.193 -6.366 322 2HB LEU 40 HB1 LEU 40 -3.205 -7.638 -7.032 323 HG LEU 40 HG LEU 40 -3.646 -6.681 -4.206 324 1HD1 LEU 40 HD11 LEU 40 -4.998 -6.009 -6.761 325 2HD1 LEU 40 HD12 LEU 40 -4.734 -5.022 -5.324 326 3HD1 LEU 40 HD13 LEU 40 -6.000 -6.250 -5.330 327 1HD2 LEU 40 HD21 LEU 40 -5.019 -8.448 -3.910 328 2HD2 LEU 40 HD22 LEU 40 -4.004 -9.168 -5.161 329 3HD2 LEU 40 HD23 LEU 40 -5.557 -8.450 -5.590 330 H HIS 41 HN HIS 41 -0.010 -6.993 -7.217 331 HA HIS 41 HA HIS 41 -0.072 -9.009 -9.228 332 1HB HIS 41 HB2 HIS 41 0.470 -6.573 -9.599 333 2HB HIS 41 HB1 HIS 41 2.036 -6.876 -8.855 334 HD1 HIS 41 HD1 HIS 41 0.604 -6.586 -12.050 335 HD2 HIS 41 HD2 HIS 41 3.326 -9.228 -10.350 336 HE1 HIS 41 HE1 HIS 41 1.829 -7.626 -13.990 337 HE2 HIS 41 HE2 HIS 41 3.532 -9.154 -12.930 338 H ALA 42 HN ALA 42 1.924 -8.400 -6.431 339 HA ALA 42 HA ALA 42 4.110 -10.040 -7.124 340 1HB ALA 42 HB1 ALA 42 3.127 -9.412 -4.348 341 2HB ALA 42 HB2 ALA 42 4.127 -8.336 -5.323 342 3HB ALA 42 HB3 ALA 42 4.753 -9.905 -4.818 343 H ILE 43 HN ILE 43 1.079 -10.690 -5.424 344 HA ILE 43 HA ILE 43 1.739 -13.380 -4.741 345 HB ILE 43 HB ILE 43 -1.019 -12.170 -4.933 346 1HG1 ILE 43 HG12 ILE 43 0.306 -12.380 -2.301 347 2HG1 ILE 43 HG11 ILE 43 0.982 -11.160 -3.381 348 1HG2 ILE 43 HG21 ILE 43 -1.491 -13.870 -3.141 349 2HG2 ILE 43 HG22 ILE 43 0.092 -14.560 -3.488 350 3HG2 ILE 43 HG23 ILE 43 -1.151 -14.530 -4.739 351 1HD1 ILE 43 HD11 ILE 43 -1.786 -10.840 -3.526 352 2HD1 ILE 43 HD12 ILE 43 -0.617 -9.799 -2.714 353 3HD1 ILE 43 HD13 ILE 43 -1.418 -11.090 -1.820 354 H LYS 44 HN LYS 44 -0.260 -11.900 -7.280 355 HA LYS 44 HA LYS 44 -1.174 -14.270 -8.449 356 1HB LYS 44 HB2 LYS 44 -1.608 -11.620 -8.890 357 2HB LYS 44 HB1 LYS 44 -0.648 -12.040 -10.300 358 1HG LYS 44 HG2 LYS 44 -2.899 -13.830 -9.608 359 2HG LYS 44 HG1 LYS 44 -3.292 -12.240 -10.250 360 1HD LYS 44 HD2 LYS 44 -1.993 -12.660 -12.230 361 2HD LYS 44 HD1 LYS 44 -1.379 -14.180 -11.560 362 1HE LYS 44 HE2 LYS 44 -4.306 -13.970 -11.660 363 2HE LYS 44 HE1 LYS 44 -3.507 -13.980 -13.240 364 1HZ LYS 44 HZ1 LYS 44 -2.447 -16.040 -12.700 365 2HZ LYS 44 HZ2 LYS 44 -4.108 -16.210 -12.430 366 3HZ LYS 44 HZ3 LYS 44 -3.056 -16.010 -11.120 367 H TYR 45 HN TYR 45 1.776 -12.410 -8.987 368 HA TYR 45 HA TYR 45 2.644 -14.260 -11.060 369 1HB TYR 45 HB2 TYR 45 3.464 -11.580 -10.130 370 2HB TYR 45 HB1 TYR 45 4.766 -12.610 -10.710 371 HD1 TYR 45 HD1 TYR 45 5.277 -12.550 -12.960 372 HD2 TYR 45 HD2 TYR 45 1.340 -11.510 -11.720 373 HE1 TYR 45 HE1 TYR 45 4.708 -11.970 -15.280 374 HE2 TYR 45 HE2 TYR 45 0.759 -10.930 -14.040 375 HH TYR 45 HH TYR 45 2.604 -11.820 -16.670 376 H GLU 46 HN GLU 46 4.178 -12.930 -8.126 377 HA GLU 46 HA GLU 46 5.737 -15.400 -7.896 378 1HB GLU 46 HB2 GLU 46 6.056 -12.610 -6.917 379 2HB GLU 46 HB1 GLU 46 6.749 -13.890 -5.939 380 1HG GLU 46 HG2 GLU 46 7.765 -14.660 -8.226 381 2HG GLU 46 HG1 GLU 46 7.485 -12.980 -8.672 382 H ALA 47 HN ALA 47 4.235 -16.830 -7.048 383 HA ALA 47 HA ALA 47 2.781 -16.150 -4.636 384 1HB ALA 47 HB1 ALA 47 2.922 -18.760 -6.146 385 2HB ALA 47 HB2 ALA 47 1.700 -17.500 -6.360 386 3HB ALA 47 HB3 ALA 47 1.808 -18.380 -4.832 387 H HIS 48 HN HIS 48 2.781 -17.930 -2.873 388 HA HIS 48 HA HIS 48 5.299 -19.250 -2.428 389 1HB HIS 48 HB2 HIS 48 4.839 -16.600 -1.358 390 2HB HIS 48 HB1 HIS 48 5.071 -17.770 -0.061 391 HD1 HIS 48 HD1 HIS 48 6.870 -15.910 -2.691 392 HD2 HIS 48 HD2 HIS 48 7.623 -19.070 -0.099 393 HE1 HIS 48 HE1 HIS 48 9.366 -16.210 -2.709 394 HE2 HIS 48 HE2 HIS 48 9.790 -18.190 -1.201 395 H SER 49 HN SER 49 5.178 -19.720 0.253 396 HA SER 49 HA SER 49 3.180 -21.690 0.445 397 1HB SER 49 HB2 SER 49 4.833 -20.420 2.646 398 2HB SER 49 HB1 SER 49 3.911 -21.920 2.792 399 HG SER 49 HG SER 49 5.986 -22.500 2.308 400 H ASP 50 HN ASP 50 1.656 -21.790 2.392 401 HA ASP 50 HA ASP 50 -0.323 -19.840 2.109 402 1HB ASP 50 HB2 ASP 50 0.175 -22.030 4.104 403 2HB ASP 50 HB1 ASP 50 -1.134 -20.880 4.376 404 H LYS 51 HN LYS 51 2.225 -20.200 4.527 405 HA LYS 51 HA LYS 51 1.397 -18.210 6.309 406 1HB LYS 51 HB2 LYS 51 3.281 -19.940 6.561 407 2HB LYS 51 HB1 LYS 51 4.287 -18.790 5.693 408 1HG LYS 51 HG2 LYS 51 4.326 -17.300 7.428 409 2HG LYS 51 HG1 LYS 51 2.773 -17.840 8.070 410 1HD LYS 51 HD2 LYS 51 3.966 -20.030 8.633 411 2HD LYS 51 HD1 LYS 51 5.466 -19.150 8.334 412 1HE LYS 51 HE2 LYS 51 3.383 -18.090 10.216 413 2HE LYS 51 HE1 LYS 51 4.579 -19.270 10.746 414 1HZ LYS 51 HZ1 LYS 51 6.278 -17.650 9.810 415 2HZ LYS 51 HZ2 LYS 51 5.509 -17.210 11.251 416 3HZ LYS 51 HZ3 LYS 51 5.027 -16.510 9.790 417 H ALA 52 HN ALA 52 3.601 -17.990 3.527 418 HA ALA 52 HA ALA 52 3.974 -15.170 3.809 419 1HB ALA 52 HB1 ALA 52 5.225 -17.210 2.400 420 2HB ALA 52 HB2 ALA 52 5.630 -15.490 2.359 421 3HB ALA 52 HB3 ALA 52 4.534 -16.170 1.153 422 H LYS 53 HN LYS 53 1.738 -17.210 2.069 423 HA LYS 53 HA LYS 53 0.786 -15.170 0.305 424 1HB LYS 53 HB2 LYS 53 0.607 -17.810 0.201 425 2HB LYS 53 HB1 LYS 53 -0.912 -17.510 1.033 426 1HG LYS 53 HG2 LYS 53 -1.796 -16.310 -0.763 427 2HG LYS 53 HG1 LYS 53 -0.209 -16.070 -1.497 428 1HD LYS 53 HD2 LYS 53 -0.708 -17.810 -2.803 429 2HD LYS 53 HD1 LYS 53 -0.435 -18.820 -1.375 430 1HE LYS 53 HE2 LYS 53 -2.532 -19.530 -1.775 431 2HE LYS 53 HE1 LYS 53 -2.987 -18.030 -0.954 432 1HZ LYS 53 HZ1 LYS 53 -3.028 -18.660 -3.824 433 2HZ LYS 53 HZ2 LYS 53 -2.815 -17.050 -3.339 434 3HZ LYS 53 HZ3 LYS 53 -4.204 -17.900 -2.874 435 H GLU 54 HN GLU 54 -0.495 -16.640 3.282 436 HA GLU 54 HA GLU 54 -2.834 -15.100 3.429 437 1HB GLU 54 HB2 GLU 54 -1.828 -17.180 4.854 438 2HB GLU 54 HB1 GLU 54 -1.589 -15.860 5.994 439 1HG GLU 54 HG2 GLU 54 -4.140 -15.400 5.194 440 2HG GLU 54 HG1 GLU 54 -4.055 -17.160 5.102 441 H SER 55 HN SER 55 0.437 -14.500 4.582 442 HA SER 55 HA SER 55 -0.063 -12.290 6.215 443 1HB SER 55 HB2 SER 55 2.297 -13.380 4.784 444 2HB SER 55 HB1 SER 55 2.392 -11.690 5.284 445 HG SER 55 HG SER 55 2.263 -12.280 7.364 446 H ILE 56 HN ILE 56 0.806 -12.400 2.764 447 HA ILE 56 HA ILE 56 0.608 -9.582 2.405 448 HB ILE 56 HB ILE 56 0.425 -11.700 0.269 449 1HG1 ILE 56 HG12 ILE 56 2.961 -10.280 1.002 450 2HG1 ILE 56 HG11 ILE 56 2.465 -11.700 1.918 451 1HG2 ILE 56 HG21 ILE 56 1.537 -9.816 -1.059 452 2HG2 ILE 56 HG22 ILE 56 0.991 -8.764 0.247 453 3HG2 ILE 56 HG23 ILE 56 -0.185 -9.675 -0.700 454 1HD1 ILE 56 HD11 ILE 56 3.725 -12.740 0.363 455 2HD1 ILE 56 HD12 ILE 56 3.467 -11.480 -0.846 456 3HD1 ILE 56 HD13 ILE 56 2.215 -12.680 -0.547 457 H ARG 57 HN ARG 57 -1.612 -12.270 1.987 458 HA ARG 57 HA ARG 57 -3.628 -10.900 0.583 459 1HB ARG 57 HB2 ARG 57 -3.248 -13.480 1.296 460 2HB ARG 57 HB1 ARG 57 -4.476 -13.020 2.466 461 1HG ARG 57 HG2 ARG 57 -5.695 -13.860 0.680 462 2HG ARG 57 HG1 ARG 57 -5.777 -12.110 0.453 463 1HD ARG 57 HD2 ARG 57 -3.779 -12.360 -1.086 464 2HD ARG 57 HD1 ARG 57 -4.057 -14.100 -1.012 465 HE ARG 57 HE ARG 57 -6.474 -13.090 -1.727 466 1HH1 ARG 57 HH11 ARG 57 -3.245 -12.750 -3.004 467 2HH1 ARG 57 HH12 ARG 57 -3.779 -12.520 -4.636 468 1HH2 ARG 57 HH21 ARG 57 -7.179 -12.790 -3.871 469 2HH2 ARG 57 HH22 ARG 57 -6.014 -12.540 -5.128 470 H ALA 58 HN ALA 58 -3.312 -11.610 4.059 471 HA ALA 58 HA ALA 58 -5.621 -10.200 4.846 472 1HB ALA 58 HB1 ALA 58 -3.164 -10.910 6.442 473 2HB ALA 58 HB2 ALA 58 -4.622 -11.880 6.269 474 3HB ALA 58 HB3 ALA 58 -4.690 -10.340 7.117 475 H LYS 59 HN LYS 59 -2.328 -9.211 4.246 476 HA LYS 59 HA LYS 59 -2.473 -6.700 5.571 477 1HB LYS 59 HB2 LYS 59 -0.602 -8.024 3.681 478 2HB LYS 59 HB1 LYS 59 -0.530 -6.270 3.775 479 1HG LYS 59 HG2 LYS 59 -0.528 -6.909 6.401 480 2HG LYS 59 HG1 LYS 59 0.307 -8.305 5.717 481 1HD LYS 59 HD2 LYS 59 1.721 -6.579 4.444 482 2HD LYS 59 HD1 LYS 59 1.074 -5.407 5.593 483 1HE LYS 59 HE2 LYS 59 1.868 -7.433 7.239 484 2HE LYS 59 HE1 LYS 59 3.084 -7.506 5.965 485 1HZ LYS 59 HZ1 LYS 59 3.937 -6.016 7.517 486 2HZ LYS 59 HZ2 LYS 59 2.448 -5.254 7.769 487 3HZ LYS 59 HZ3 LYS 59 3.288 -5.010 6.321 488 H CYS 60 HN CYS 60 -3.176 -7.790 2.302 489 HA CYS 60 HA CYS 60 -3.430 -5.255 1.101 490 1HB CYS 60 HB2 CYS 60 -3.473 -7.792 0.168 491 2HB CYS 60 HB1 CYS 60 -5.194 -7.419 0.116 492 HG CYS 60 HG CYS 60 -4.168 -6.739 -2.158 493 H VAL 61 HN VAL 61 -5.687 -7.257 2.905 494 HA VAL 61 HA VAL 61 -8.020 -5.769 2.297 495 HB VAL 61 HB VAL 61 -7.538 -7.404 4.788 496 1HG1 VAL 61 HG11 VAL 61 -9.994 -6.441 3.353 497 2HG1 VAL 61 HG12 VAL 61 -9.540 -6.210 5.042 498 3HG1 VAL 61 HG13 VAL 61 -10.030 -7.803 4.472 499 1HG2 VAL 61 HG21 VAL 61 -7.122 -9.058 3.304 500 2HG2 VAL 61 HG22 VAL 61 -7.912 -8.212 1.974 501 3HG2 VAL 61 HG23 VAL 61 -8.880 -9.078 3.167 502 H GLN 62 HN GLN 62 -5.640 -5.577 4.901 503 HA GLN 62 HA GLN 62 -7.057 -3.559 6.352 504 1HB GLN 62 HB2 GLN 62 -4.601 -5.090 6.660 505 2HB GLN 62 HB1 GLN 62 -4.394 -3.413 7.143 506 1HG GLN 62 HG2 GLN 62 -5.185 -4.074 9.114 507 2HG GLN 62 HG1 GLN 62 -6.764 -4.051 8.329 508 1HE2 GLN 62 HE21 GLN 62 -7.822 -5.931 7.973 509 2HE2 GLN 62 HE22 GLN 62 -7.240 -7.480 8.469 510 H TYR 63 HN TYR 63 -4.610 -3.587 3.857 511 HA TYR 63 HA TYR 63 -3.842 -0.859 4.120 512 1HB TYR 63 HB2 TYR 63 -3.470 -2.966 2.021 513 2HB TYR 63 HB1 TYR 63 -3.061 -1.292 1.660 514 HD1 TYR 63 HD1 TYR 63 -1.766 -0.236 3.932 515 HD2 TYR 63 HD2 TYR 63 -1.588 -4.219 2.448 516 HE1 TYR 63 HE1 TYR 63 0.423 -0.534 5.012 517 HE2 TYR 63 HE2 TYR 63 0.600 -4.530 3.526 518 HH TYR 63 HH TYR 63 1.757 -3.206 5.758 519 H LEU 64 HN LEU 64 -6.290 -2.555 2.252 520 HA LEU 64 HA LEU 64 -7.006 -0.337 0.618 521 1HB LEU 64 HB2 LEU 64 -8.250 -2.981 1.262 522 2HB LEU 64 HB1 LEU 64 -9.186 -1.769 0.408 523 HG LEU 64 HG LEU 64 -6.495 -2.398 -0.677 524 1HD1 LEU 64 HD11 LEU 64 -7.168 -4.396 -1.752 525 2HD1 LEU 64 HD12 LEU 64 -8.829 -4.224 -1.186 526 3HD1 LEU 64 HD13 LEU 64 -7.542 -4.597 -0.040 527 1HD2 LEU 64 HD21 LEU 64 -9.204 -1.848 -1.880 528 2HD2 LEU 64 HD22 LEU 64 -7.727 -2.128 -2.801 529 3HD2 LEU 64 HD23 LEU 64 -7.856 -0.719 -1.748 530 H ASP 65 HN ASP 65 -7.937 -1.425 3.795 531 HA ASP 65 HA ASP 65 -10.310 0.144 3.990 532 1HB ASP 65 HB2 ASP 65 -8.797 -1.667 5.693 533 2HB ASP 65 HB1 ASP 65 -9.418 -0.285 6.590 534 H ARG 66 HN ARG 66 -6.924 0.710 4.623 535 HA ARG 66 HA ARG 66 -7.344 3.130 6.110 536 1HB ARG 66 HB2 ARG 66 -5.020 1.583 5.125 537 2HB ARG 66 HB1 ARG 66 -4.765 3.312 5.322 538 1HG ARG 66 HG2 ARG 66 -5.977 2.720 7.663 539 2HG ARG 66 HG1 ARG 66 -5.122 1.210 7.339 540 1HD ARG 66 HD2 ARG 66 -3.303 2.178 8.180 541 2HD ARG 66 HD1 ARG 66 -3.273 3.195 6.739 542 HE ARG 66 HE ARG 66 -4.995 4.468 8.424 543 1HH1 ARG 66 HH11 ARG 66 -1.695 3.363 8.680 544 2HH1 ARG 66 HH12 ARG 66 -1.233 4.607 9.792 545 1HH2 ARG 66 HH21 ARG 66 -4.389 6.105 9.888 546 2HH2 ARG 66 HH22 ARG 66 -2.762 6.163 10.479 547 H ALA 67 HN ALA 67 -6.452 2.324 2.781 548 HA ALA 67 HA ALA 67 -6.004 4.963 1.899 549 1HB ALA 67 HB1 ALA 67 -6.020 4.084 -0.305 550 2HB ALA 67 HB2 ALA 67 -6.978 2.688 0.186 551 3HB ALA 67 HB3 ALA 67 -5.309 2.847 0.731 552 H GLU 68 HN GLU 68 -8.912 3.076 2.303 553 HA GLU 68 HA GLU 68 -10.610 4.693 0.703 554 1HB GLU 68 HB2 GLU 68 -10.970 2.546 2.726 555 2HB GLU 68 HB1 GLU 68 -12.350 3.590 2.405 556 1HG GLU 68 HG2 GLU 68 -12.160 3.043 0.005 557 2HG GLU 68 HG1 GLU 68 -10.850 1.924 0.397 558 H LYS 69 HN LYS 69 -9.687 4.747 4.101 559 HA LYS 69 HA LYS 69 -11.560 6.760 4.851 560 1HB LYS 69 HB2 LYS 69 -10.170 5.012 6.287 561 2HB LYS 69 HB1 LYS 69 -9.047 6.358 6.394 562 1HG LYS 69 HG2 LYS 69 -11.750 7.205 6.930 563 2HG LYS 69 HG1 LYS 69 -11.260 5.894 8.001 564 1HD LYS 69 HD2 LYS 69 -9.293 8.060 7.581 565 2HD LYS 69 HD1 LYS 69 -10.740 8.488 8.490 566 1HE LYS 69 HE2 LYS 69 -10.030 7.395 10.296 567 2HE LYS 69 HE1 LYS 69 -9.665 5.949 9.357 568 1HZ LYS 69 HZ1 LYS 69 -7.755 7.112 10.545 569 2HZ LYS 69 HZ2 LYS 69 -7.860 8.287 9.334 570 3HZ LYS 69 HZ3 LYS 69 -7.515 6.683 8.926 571 H LEU 70 HN LEU 70 -8.323 6.768 3.571 572 HA LEU 70 HA LEU 70 -7.649 9.433 4.251 573 1HB LEU 70 HB2 LEU 70 -6.651 7.641 2.039 574 2HB LEU 70 HB1 LEU 70 -5.947 9.198 2.433 575 HG LEU 70 HG LEU 70 -6.115 6.923 4.404 576 1HD1 LEU 70 HD11 LEU 70 -4.158 6.062 3.691 577 2HD1 LEU 70 HD12 LEU 70 -3.526 7.630 3.189 578 3HD1 LEU 70 HD13 LEU 70 -4.657 6.762 2.152 579 1HD2 LEU 70 HD21 LEU 70 -4.653 9.553 4.349 580 2HD2 LEU 70 HD22 LEU 70 -4.266 8.252 5.475 581 3HD2 LEU 70 HD23 LEU 70 -5.860 9.006 5.512 582 H LYS 71 HN LYS 71 -9.242 7.979 1.462 583 HA LYS 71 HA LYS 71 -9.304 10.354 -0.102 584 1HB LYS 71 HB2 LYS 71 -9.740 7.756 -0.661 585 2HB LYS 71 HB1 LYS 71 -11.400 8.305 -0.517 586 1HG LYS 71 HG2 LYS 71 -10.550 10.221 -2.111 587 2HG LYS 71 HG1 LYS 71 -9.338 9.012 -2.529 588 1HD LYS 71 HD2 LYS 71 -11.360 7.420 -2.797 589 2HD LYS 71 HD1 LYS 71 -12.310 8.904 -2.878 590 1HE LYS 71 HE2 LYS 71 -10.360 9.517 -4.618 591 2HE LYS 71 HE1 LYS 71 -10.390 7.764 -4.814 592 1HZ LYS 71 HZ1 LYS 71 -12.910 8.112 -5.035 593 2HZ LYS 71 HZ2 LYS 71 -11.930 8.493 -6.354 594 3HZ LYS 71 HZ3 LYS 71 -12.520 9.726 -5.360 595 H ASP 72 HN ASP 72 -11.680 8.751 1.987 596 HA ASP 72 HA ASP 72 -13.810 10.501 1.543 597 1HB ASP 72 HB2 ASP 72 -13.160 8.385 3.411 598 2HB ASP 72 HB1 ASP 72 -14.030 9.685 4.214 599 H TYR 73 HN TYR 73 -10.970 10.824 3.529 600 HA TYR 73 HA TYR 73 -11.960 13.018 5.085 601 1HB TYR 73 HB2 TYR 73 -10.190 11.533 5.926 602 2HB TYR 73 HB1 TYR 73 -9.125 12.082 4.638 603 HD1 TYR 73 HD1 TYR 73 -8.375 14.481 4.616 604 HD2 TYR 73 HD2 TYR 73 -10.430 12.774 7.926 605 HE1 TYR 73 HE1 TYR 73 -7.590 16.321 6.045 606 HE2 TYR 73 HE2 TYR 73 -9.654 14.611 9.364 607 HH TYR 73 HH TYR 73 -7.210 16.778 8.417 608 H LEU 74 HN LEU 74 -9.665 12.732 2.384 609 HA LEU 74 HA LEU 74 -9.295 15.545 2.132 610 1HB LEU 74 HB2 LEU 74 -8.164 14.989 0.017 611 2HB LEU 74 HB1 LEU 74 -7.580 14.035 1.367 612 HG LEU 74 HG LEU 74 -9.372 12.301 0.459 613 1HD1 LEU 74 HD11 LEU 74 -10.350 13.170 -1.377 614 2HD1 LEU 74 HD12 LEU 74 -8.912 12.542 -2.173 615 3HD1 LEU 74 HD13 LEU 74 -9.003 14.246 -1.728 616 1HD2 LEU 74 HD21 LEU 74 -7.539 11.317 -0.931 617 2HD2 LEU 74 HD22 LEU 74 -7.066 11.751 0.711 618 3HD2 LEU 74 HD23 LEU 74 -6.611 12.789 -0.641 619 H ARG 75 HN ARG 75 -11.480 13.218 0.706 620 HA ARG 75 HA ARG 75 -12.440 14.949 -1.357 621 1HB ARG 75 HB2 ARG 75 -13.380 12.348 -0.187 622 2HB ARG 75 HB1 ARG 75 -14.400 13.235 -1.311 623 1HG ARG 75 HG2 ARG 75 -12.120 13.234 -2.708 624 2HG ARG 75 HG1 ARG 75 -11.900 11.744 -1.788 625 1HD ARG 75 HD2 ARG 75 -13.330 10.668 -3.106 626 2HD ARG 75 HD1 ARG 75 -14.580 11.869 -2.792 627 HE ARG 75 HE ARG 75 -12.890 11.683 -5.114 628 1HH1 ARG 75 HH11 ARG 75 -14.880 13.794 -3.178 629 2HH1 ARG 75 HH12 ARG 75 -15.180 14.904 -4.472 630 1HH2 ARG 75 HH21 ARG 75 -13.280 13.144 -6.817 631 2HH2 ARG 75 HH22 ARG 75 -14.270 14.536 -6.538 632 H SER 76 HN SER 76 -13.430 14.211 1.936 633 HA SER 76 HA SER 76 -15.930 15.551 1.846 634 1HB SER 76 HB2 SER 76 -14.150 14.478 3.979 635 2HB SER 76 HB1 SER 76 -15.350 15.673 4.459 636 HG SER 76 HG SER 76 -16.870 14.256 3.252 637 H LYS 77 HN LYS 77 -12.650 16.606 2.438 638 HA LYS 77 HA LYS 77 -13.290 19.141 3.545 639 1HB LYS 77 HB2 LYS 77 -10.960 17.666 3.083 640 2HB LYS 77 HB1 LYS 77 -10.770 19.123 2.117 641 1HG LYS 77 HG2 LYS 77 -11.330 20.443 4.173 642 2HG LYS 77 HG1 LYS 77 -11.240 18.933 5.081 643 1HD LYS 77 HD2 LYS 77 -8.941 18.655 4.538 644 2HD LYS 77 HD1 LYS 77 -8.998 19.966 3.358 645 1HE LYS 77 HE2 LYS 77 -9.849 21.201 5.648 646 2HE LYS 77 HE1 LYS 77 -8.656 20.057 6.261 647 1HZ LYS 77 HZ1 LYS 77 -8.282 22.313 4.413 648 2HZ LYS 77 HZ2 LYS 77 -7.223 20.996 4.338 649 3HZ LYS 77 HZ3 LYS 77 -7.374 21.881 5.772 Start of MODEL 5 1 1H MET 1 HT1 MET 1 17.910 1.085 -10.170 2 2H MET 1 HT2 MET 1 17.606 -0.214 -11.250 3 3H MET 1 HT3 MET 1 17.372 -0.423 -9.562 4 HA MET 1 HA MET 1 15.708 1.413 -9.724 5 1HB MET 1 HB2 MET 1 16.729 1.597 -12.250 6 2HB MET 1 HB1 MET 1 15.267 0.660 -12.530 7 1HG MET 1 HG2 MET 1 15.394 3.325 -11.140 8 2HG MET 1 HG1 MET 1 14.905 3.061 -12.810 9 1HE MET 1 HE1 MET 1 13.882 3.180 -9.153 10 2HE MET 1 HE2 MET 1 12.152 3.380 -9.432 11 3HE MET 1 HE3 MET 1 13.303 4.468 -10.210 12 H THR 2 HN THR 2 16.280 -1.714 -11.200 13 HA THR 2 HA THR 2 13.526 -2.551 -10.810 14 HB THR 2 HB THR 2 15.829 -4.288 -11.680 15 HG1 THR 2 HG1 THR 2 15.887 -2.682 -13.150 16 1HG2 THR 2 HG21 THR 2 13.957 -5.639 -11.350 17 2HG2 THR 2 HG22 THR 2 13.969 -5.312 -13.080 18 3HG2 THR 2 HG23 THR 2 12.858 -4.438 -12.020 19 H THR 3 HN THR 3 12.885 -3.161 -8.861 20 HA THR 3 HA THR 3 14.713 -4.797 -7.232 21 HB THR 3 HB THR 3 14.698 -2.631 -6.209 22 HG1 THR 3 HG1 THR 3 14.534 -4.231 -4.686 23 1HG2 THR 3 HG21 THR 3 11.711 -2.703 -5.982 24 2HG2 THR 3 HG22 THR 3 12.543 -1.875 -7.298 25 3HG2 THR 3 HG23 THR 3 12.812 -1.372 -5.628 26 H SER 4 HN SER 4 13.498 -5.991 -5.470 27 HA SER 4 HA SER 4 11.542 -7.635 -6.629 28 1HB SER 4 HB2 SER 4 13.116 -8.131 -4.649 29 2HB SER 4 HB1 SER 4 11.899 -7.334 -3.652 30 HG SER 4 HG SER 4 11.893 -9.816 -4.331 31 H THR 5 HN THR 5 9.335 -8.005 -5.769 32 HA THR 5 HA THR 5 7.878 -5.530 -5.745 33 HB THR 5 HB THR 5 6.480 -8.072 -5.133 34 HG1 THR 5 HG1 THR 5 7.700 -9.010 -6.609 35 1HG2 THR 5 HG21 THR 5 5.183 -6.093 -5.632 36 2HG2 THR 5 HG22 THR 5 4.966 -7.310 -6.890 37 3HG2 THR 5 HG23 THR 5 6.011 -5.919 -7.179 38 H LEU 6 HN LEU 6 8.839 -7.928 -3.395 39 HA LEU 6 HA LEU 6 7.072 -7.191 -1.321 40 1HB LEU 6 HB2 LEU 6 9.609 -8.723 -1.523 41 2HB LEU 6 HB1 LEU 6 9.152 -8.140 0.067 42 HG LEU 6 HG LEU 6 8.416 -10.450 -0.356 43 1HD1 LEU 6 HD11 LEU 6 6.071 -8.584 -0.137 44 2HD1 LEU 6 HD12 LEU 6 7.201 -8.903 1.180 45 3HD1 LEU 6 HD13 LEU 6 6.217 -10.210 0.525 46 1HD2 LEU 6 HD21 LEU 6 6.807 -9.154 -2.541 47 2HD2 LEU 6 HD22 LEU 6 6.465 -10.760 -1.900 48 3HD2 LEU 6 HD23 LEU 6 8.004 -10.430 -2.700 49 H GLN 7 HN GLN 7 10.382 -6.170 -2.090 50 HA GLN 7 HA GLN 7 10.617 -4.405 0.128 51 1HB GLN 7 HB2 GLN 7 12.388 -5.467 -1.623 52 2HB GLN 7 HB1 GLN 7 12.230 -3.846 -2.287 53 1HG GLN 7 HG2 GLN 7 12.637 -4.031 0.628 54 2HG GLN 7 HG1 GLN 7 13.995 -4.506 -0.390 55 1HE2 GLN 7 HE21 GLN 7 12.332 -1.944 1.011 56 2HE2 GLN 7 HE22 GLN 7 13.122 -0.647 0.190 57 H LYS 8 HN LYS 8 9.402 -4.080 -3.129 58 HA LYS 8 HA LYS 8 9.407 -1.250 -3.248 59 1HB LYS 8 HB2 LYS 8 8.467 -3.454 -4.878 60 2HB LYS 8 HB1 LYS 8 7.301 -2.138 -4.861 61 1HG LYS 8 HG2 LYS 8 8.763 -0.652 -5.856 62 2HG LYS 8 HG1 LYS 8 10.189 -1.570 -5.367 63 1HD LYS 8 HD2 LYS 8 9.632 -3.323 -6.958 64 2HD LYS 8 HD1 LYS 8 8.158 -2.467 -7.412 65 1HE LYS 8 HE2 LYS 8 10.734 -1.003 -7.617 66 2HE LYS 8 HE1 LYS 8 10.405 -2.258 -8.811 67 1HZ LYS 8 HZ1 LYS 8 9.112 0.322 -8.421 68 2HZ LYS 8 HZ2 LYS 8 8.103 -0.961 -8.865 69 3HZ LYS 8 HZ3 LYS 8 9.411 -0.536 -9.849 70 H ALA 9 HN ALA 9 6.924 -3.614 -2.333 71 HA ALA 9 HA ALA 9 4.822 -1.817 -1.912 72 1HB ALA 9 HB1 ALA 9 3.675 -3.574 -0.942 73 2HB ALA 9 HB2 ALA 9 5.129 -4.259 -0.215 74 3HB ALA 9 HB3 ALA 9 4.853 -4.414 -1.951 75 H ILE 10 HN ILE 10 7.470 -2.808 0.178 76 HA ILE 10 HA ILE 10 6.449 -1.592 2.544 77 HB ILE 10 HB ILE 10 9.333 -2.233 1.920 78 1HG1 ILE 10 HG12 ILE 10 7.510 -4.051 3.454 79 2HG1 ILE 10 HG11 ILE 10 7.510 -4.106 1.694 80 1HG2 ILE 10 HG21 ILE 10 9.171 -0.856 3.853 81 2HG2 ILE 10 HG22 ILE 10 9.443 -2.506 4.411 82 3HG2 ILE 10 HG23 ILE 10 7.828 -1.802 4.491 83 1HD1 ILE 10 HD11 ILE 10 9.183 -5.547 1.865 84 2HD1 ILE 10 HD12 ILE 10 9.402 -5.198 3.580 85 3HD1 ILE 10 HD13 ILE 10 10.189 -4.189 2.368 86 H ASP 11 HN ASP 11 8.366 -0.481 -0.151 87 HA ASP 11 HA ASP 11 9.282 1.916 1.123 88 1HB ASP 11 HB2 ASP 11 9.879 0.530 -1.243 89 2HB ASP 11 HB1 ASP 11 9.243 2.087 -1.765 90 H LEU 12 HN LEU 12 6.485 0.988 -0.741 91 HA LEU 12 HA LEU 12 5.629 3.666 -1.304 92 1HB LEU 12 HB2 LEU 12 4.515 0.935 -1.672 93 2HB LEU 12 HB1 LEU 12 3.386 2.276 -1.668 94 HG LEU 12 HG LEU 12 4.125 1.606 -3.939 95 1HD1 LEU 12 HD11 LEU 12 4.302 3.789 -4.766 96 2HD1 LEU 12 HD12 LEU 12 5.128 4.365 -3.318 97 3HD1 LEU 12 HD13 LEU 12 3.414 3.956 -3.251 98 1HD2 LEU 12 HD21 LEU 12 6.800 2.405 -2.835 99 2HD2 LEU 12 HD22 LEU 12 6.458 2.437 -4.565 100 3HD2 LEU 12 HD23 LEU 12 6.349 0.920 -3.672 101 H VAL 13 HN VAL 13 5.120 1.351 1.257 102 HA VAL 13 HA VAL 13 2.905 2.773 2.426 103 HB VAL 13 HB VAL 13 4.612 0.629 3.694 104 1HG1 VAL 13 HG11 VAL 13 2.705 0.264 5.143 105 2HG1 VAL 13 HG12 VAL 13 1.797 1.523 4.305 106 3HG1 VAL 13 HG13 VAL 13 3.227 1.945 5.246 107 1HG2 VAL 13 HG21 VAL 13 1.955 0.016 2.522 108 2HG2 VAL 13 HG22 VAL 13 3.381 -1.006 2.691 109 3HG2 VAL 13 HG23 VAL 13 3.314 0.209 1.415 110 H THR 14 HN THR 14 6.376 2.714 2.786 111 HA THR 14 HA THR 14 6.487 4.028 5.305 112 HB THR 14 HB THR 14 8.605 4.009 3.149 113 HG1 THR 14 HG1 THR 14 9.075 2.026 3.704 114 1HG2 THR 14 HG21 THR 14 9.203 5.501 4.922 115 2HG2 THR 14 HG22 THR 14 10.163 4.028 5.067 116 3HG2 THR 14 HG23 THR 14 8.784 4.293 6.137 117 H LYS 15 HN LYS 15 6.535 5.142 1.957 118 HA LYS 15 HA LYS 15 7.055 7.873 2.607 119 1HB LYS 15 HB2 LYS 15 6.577 6.292 0.200 120 2HB LYS 15 HB1 LYS 15 5.835 7.884 0.119 121 1HG LYS 15 HG2 LYS 15 7.919 8.265 -0.778 122 2HG LYS 15 HG1 LYS 15 8.152 8.732 0.907 123 1HD LYS 15 HD2 LYS 15 9.709 7.166 1.197 124 2HD LYS 15 HD1 LYS 15 8.651 5.913 0.544 125 1HE LYS 15 HE2 LYS 15 10.030 7.836 -1.289 126 2HE LYS 15 HE1 LYS 15 10.902 6.447 -0.642 127 1HZ LYS 15 HZ1 LYS 15 10.035 5.675 -2.630 128 2HZ LYS 15 HZ2 LYS 15 8.561 6.481 -2.437 129 3HZ LYS 15 HZ3 LYS 15 8.907 5.116 -1.500 130 H ALA 16 HN ALA 16 4.190 5.912 2.310 131 HA ALA 16 HA ALA 16 2.336 8.072 2.105 132 1HB ALA 16 HB1 ALA 16 0.794 6.091 3.024 133 2HB ALA 16 HB2 ALA 16 2.175 5.142 2.473 134 3HB ALA 16 HB3 ALA 16 1.322 6.195 1.344 135 H THR 17 HN THR 17 3.434 6.019 4.790 136 HA THR 17 HA THR 17 1.783 7.084 6.777 137 HB THR 17 HB THR 17 2.988 5.045 7.180 138 HG1 THR 17 HG1 THR 17 2.641 6.159 9.059 139 1HG2 THR 17 HG21 THR 17 4.990 5.408 5.877 140 2HG2 THR 17 HG22 THR 17 5.406 4.989 7.539 141 3HG2 THR 17 HG23 THR 17 5.518 6.663 6.997 142 H GLU 18 HN GLU 18 5.008 8.082 5.698 143 HA GLU 18 HA GLU 18 5.338 10.120 7.638 144 1HB GLU 18 HB2 GLU 18 7.181 10.897 6.218 145 2HB GLU 18 HB1 GLU 18 7.239 9.155 6.451 146 1HG GLU 18 HG2 GLU 18 6.229 8.833 4.244 147 2HG GLU 18 HG1 GLU 18 6.203 10.581 4.011 148 H GLU 19 HN GLU 19 4.013 10.075 4.373 149 HA GLU 19 HA GLU 19 3.763 12.874 4.070 150 1HB GLU 19 HB2 GLU 19 2.464 10.512 2.745 151 2HB GLU 19 HB1 GLU 19 1.950 12.150 2.366 152 1HG GLU 19 HG2 GLU 19 4.795 11.210 2.138 153 2HG GLU 19 HG1 GLU 19 3.638 11.163 0.808 154 H ASP 20 HN ASP 20 1.541 10.387 5.261 155 HA ASP 20 HA ASP 20 -0.762 11.903 5.529 156 1HB ASP 20 HB2 ASP 20 -0.220 9.356 6.038 157 2HB ASP 20 HB1 ASP 20 -0.087 9.956 7.689 158 H LYS 21 HN LYS 21 2.075 11.769 7.586 159 HA LYS 21 HA LYS 21 0.917 13.274 9.727 160 1HB LYS 21 HB2 LYS 21 3.634 12.258 9.046 161 2HB LYS 21 HB1 LYS 21 3.514 13.566 10.216 162 1HG LYS 21 HG2 LYS 21 2.828 12.192 11.822 163 2HG LYS 21 HG1 LYS 21 1.626 11.441 10.773 164 1HD LYS 21 HD2 LYS 21 2.956 9.693 10.307 165 2HD LYS 21 HD1 LYS 21 4.387 10.710 10.132 166 1HE LYS 21 HE2 LYS 21 3.187 10.029 12.805 167 2HE LYS 21 HE1 LYS 21 4.416 9.030 12.031 168 1HZ LYS 21 HZ1 LYS 21 4.829 11.920 12.497 169 2HZ LYS 21 HZ2 LYS 21 5.989 10.731 12.180 170 3HZ LYS 21 HZ3 LYS 21 5.204 10.767 13.678 171 H ALA 22 HN ALA 22 2.429 14.057 6.722 172 HA ALA 22 HA ALA 22 2.894 16.826 7.534 173 1HB ALA 22 HB1 ALA 22 4.124 17.088 5.514 174 2HB ALA 22 HB2 ALA 22 3.490 15.578 4.860 175 3HB ALA 22 HB3 ALA 22 4.608 15.548 6.224 176 H LYS 23 HN LYS 23 0.176 15.660 7.191 177 HA LYS 23 HA LYS 23 -1.849 16.233 6.327 178 1HB LYS 23 HB2 LYS 23 -0.247 18.721 6.258 179 2HB LYS 23 HB1 LYS 23 -1.709 18.722 5.280 180 1HG LYS 23 HG2 LYS 23 -2.546 19.518 7.237 181 2HG LYS 23 HG1 LYS 23 -2.787 17.789 7.493 182 1HD LYS 23 HD2 LYS 23 -0.487 17.809 8.604 183 2HD LYS 23 HD1 LYS 23 -0.640 19.567 8.617 184 1HE LYS 23 HE2 LYS 23 -2.951 18.048 9.651 185 2HE LYS 23 HE1 LYS 23 -1.481 17.981 10.622 186 1HZ LYS 23 HZ1 LYS 23 -1.511 20.262 10.964 187 2HZ LYS 23 HZ2 LYS 23 -3.146 19.845 11.077 188 3HZ LYS 23 HZ3 LYS 23 -2.552 20.560 9.664 189 H ASN 24 HN ASN 24 -0.115 14.766 4.620 190 HA ASN 24 HA ASN 24 -0.799 15.846 1.969 191 1HB ASN 24 HB2 ASN 24 1.422 14.068 2.926 192 2HB ASN 24 HB1 ASN 24 0.916 14.016 1.240 193 1HD2 ASN 24 HD21 ASN 24 1.884 15.363 -0.088 194 2HD2 ASN 24 HD22 ASN 24 2.723 16.806 0.360 195 H TYR 25 HN TYR 25 -2.865 14.710 3.325 196 HA TYR 25 HA TYR 25 -3.297 11.994 3.142 197 1HB TYR 25 HB2 TYR 25 -5.221 14.295 2.806 198 2HB TYR 25 HB1 TYR 25 -5.743 12.615 2.881 199 HD1 TYR 25 HD1 TYR 25 -5.908 11.477 4.955 200 HD2 TYR 25 HD2 TYR 25 -4.086 15.318 4.787 201 HE1 TYR 25 HE1 TYR 25 -5.938 11.591 7.412 202 HE2 TYR 25 HE2 TYR 25 -4.109 15.443 7.243 203 HH TYR 25 HH TYR 25 -4.229 14.003 9.160 204 H GLU 26 HN GLU 26 -3.477 14.423 0.612 205 HA GLU 26 HA GLU 26 -4.727 12.800 -1.343 206 1HB GLU 26 HB2 GLU 26 -3.874 14.480 -2.959 207 2HB GLU 26 HB1 GLU 26 -4.710 15.202 -1.591 208 1HG GLU 26 HG2 GLU 26 -2.932 16.566 -1.567 209 2HG GLU 26 HG1 GLU 26 -2.189 15.245 -0.664 210 H GLU 27 HN GLU 27 -1.347 13.433 -0.534 211 HA GLU 27 HA GLU 27 -0.284 11.914 -2.704 212 1HB GLU 27 HB2 GLU 27 0.793 13.763 -1.110 213 2HB GLU 27 HB1 GLU 27 1.310 12.334 -0.224 214 1HG GLU 27 HG2 GLU 27 3.081 12.429 -1.584 215 2HG GLU 27 HG1 GLU 27 2.007 11.632 -2.733 216 H ALA 28 HN ALA 28 -1.220 11.210 0.591 217 HA ALA 28 HA ALA 28 0.074 8.705 0.825 218 1HB ALA 28 HB1 ALA 28 -0.712 9.940 2.771 219 2HB ALA 28 HB2 ALA 28 -1.426 8.327 2.722 220 3HB ALA 28 HB3 ALA 28 -2.382 9.729 2.244 221 H LEU 29 HN LEU 29 -3.060 9.690 -0.431 222 HA LEU 29 HA LEU 29 -4.259 7.165 -0.612 223 1HB LEU 29 HB2 LEU 29 -5.305 9.472 -0.953 224 2HB LEU 29 HB1 LEU 29 -4.685 9.390 -2.591 225 HG LEU 29 HG LEU 29 -5.996 7.043 -2.507 226 1HD1 LEU 29 HD11 LEU 29 -7.645 8.871 -0.771 227 2HD1 LEU 29 HD12 LEU 29 -6.743 7.477 -0.179 228 3HD1 LEU 29 HD13 LEU 29 -8.069 7.249 -1.319 229 1HD2 LEU 29 HD21 LEU 29 -7.553 9.553 -3.008 230 2HD2 LEU 29 HD22 LEU 29 -7.576 8.028 -3.895 231 3HD2 LEU 29 HD23 LEU 29 -6.192 9.111 -4.039 232 H ARG 30 HN ARG 30 -2.345 8.972 -3.002 233 HA ARG 30 HA ARG 30 -2.455 6.925 -4.976 234 1HB ARG 30 HB2 ARG 30 -0.867 9.436 -4.611 235 2HB ARG 30 HB1 ARG 30 -0.386 8.285 -5.848 236 1HG ARG 30 HG2 ARG 30 -1.747 9.734 -7.012 237 2HG ARG 30 HG1 ARG 30 -2.855 8.423 -6.601 238 1HD ARG 30 HD2 ARG 30 -3.367 9.851 -4.500 239 2HD ARG 30 HD1 ARG 30 -2.649 11.169 -5.425 240 HE ARG 30 HE ARG 30 -4.464 10.131 -7.140 241 1HH1 ARG 30 HH11 ARG 30 -4.663 11.226 -3.832 242 2HH1 ARG 30 HH12 ARG 30 -6.317 11.723 -3.965 243 1HH2 ARG 30 HH21 ARG 30 -6.638 10.784 -7.317 244 2HH2 ARG 30 HH22 ARG 30 -7.438 11.472 -5.943 245 H LEU 31 HN LEU 31 -0.252 7.701 -2.361 246 HA LEU 31 HA LEU 31 1.833 5.945 -3.180 247 1HB LEU 31 HB2 LEU 31 1.191 7.559 -0.787 248 2HB LEU 31 HB1 LEU 31 2.233 6.175 -0.519 249 HG LEU 31 HG LEU 31 3.503 8.248 -0.894 250 1HD1 LEU 31 HD11 LEU 31 4.707 7.261 -3.071 251 2HD1 LEU 31 HD12 LEU 31 3.746 5.857 -2.608 252 3HD1 LEU 31 HD13 LEU 31 4.890 6.559 -1.464 253 1HD2 LEU 31 HD21 LEU 31 2.364 9.615 -2.328 254 2HD2 LEU 31 HD22 LEU 31 1.866 8.289 -3.376 255 3HD2 LEU 31 HD23 LEU 31 3.519 8.898 -3.451 256 H TYR 32 HN TYR 32 -0.933 5.637 -1.004 257 HA TYR 32 HA TYR 32 -0.248 3.054 -0.036 258 1HB TYR 32 HB2 TYR 32 -2.516 4.907 0.194 259 2HB TYR 32 HB1 TYR 32 -2.971 3.208 0.266 260 HD1 TYR 32 HD1 TYR 32 -2.162 5.918 2.228 261 HD2 TYR 32 HD2 TYR 32 -1.224 1.789 1.814 262 HE1 TYR 32 HE1 TYR 32 -1.483 5.842 4.591 263 HE2 TYR 32 HE2 TYR 32 -0.542 1.701 4.174 264 HH TYR 32 HH TYR 32 -1.058 3.007 6.290 265 H GLN 33 HN GLN 33 -2.471 4.184 -2.564 266 HA GLN 33 HA GLN 33 -3.496 1.691 -3.306 267 1HB GLN 33 HB2 GLN 33 -3.221 4.334 -4.673 268 2HB GLN 33 HB1 GLN 33 -3.711 2.937 -5.621 269 1HG GLN 33 HG2 GLN 33 -5.437 2.645 -3.646 270 2HG GLN 33 HG1 GLN 33 -5.159 4.378 -3.471 271 1HE2 GLN 33 HE21 GLN 33 -4.993 5.369 -5.882 272 2HE2 GLN 33 HE22 GLN 33 -6.400 5.042 -6.830 273 H HIS 34 HN HIS 34 -0.493 3.279 -4.125 274 HA HIS 34 HA HIS 34 0.193 1.612 -6.321 275 1HB HIS 34 HB2 HIS 34 1.602 3.607 -4.625 276 2HB HIS 34 HB1 HIS 34 2.597 2.464 -5.520 277 HD1 HIS 34 HD1 HIS 34 3.459 3.737 -7.464 278 HD2 HIS 34 HD2 HIS 34 -0.585 4.439 -6.817 279 HE1 HIS 34 HE1 HIS 34 2.715 5.191 -9.376 280 HE2 HIS 34 HE2 HIS 34 0.245 5.527 -9.012 281 H ALA 35 HN ALA 35 0.781 1.453 -2.854 282 HA ALA 35 HA ALA 35 2.633 -0.690 -2.929 283 1HB ALA 35 HB1 ALA 35 1.606 -0.936 -0.468 284 2HB ALA 35 HB2 ALA 35 1.056 0.695 -0.849 285 3HB ALA 35 HB3 ALA 35 2.775 0.310 -0.904 286 H VAL 36 HN VAL 36 -0.883 -0.546 -2.608 287 HA VAL 36 HA VAL 36 -1.354 -3.238 -2.007 288 HB VAL 36 HB VAL 36 -3.167 -1.477 -3.657 289 1HG1 VAL 36 HG11 VAL 36 -3.465 -4.095 -3.076 290 2HG1 VAL 36 HG12 VAL 36 -4.811 -2.976 -3.287 291 3HG1 VAL 36 HG13 VAL 36 -4.236 -3.368 -1.667 292 1HG2 VAL 36 HG21 VAL 36 -2.905 -0.103 -1.854 293 2HG2 VAL 36 HG22 VAL 36 -2.483 -1.426 -0.766 294 3HG2 VAL 36 HG23 VAL 36 -4.165 -1.163 -1.223 295 H GLU 37 HN GLU 37 -1.072 -1.587 -5.128 296 HA GLU 37 HA GLU 37 -1.779 -3.739 -6.772 297 1HB GLU 37 HB2 GLU 37 0.063 -1.398 -7.270 298 2HB GLU 37 HB1 GLU 37 -0.429 -2.529 -8.522 299 1HG GLU 37 HG2 GLU 37 -2.616 -1.323 -6.969 300 2HG GLU 37 HG1 GLU 37 -1.694 -0.217 -7.987 301 H TYR 38 HN TYR 38 1.421 -2.690 -5.630 302 HA TYR 38 HA TYR 38 2.921 -4.658 -6.947 303 1HB TYR 38 HB2 TYR 38 3.400 -2.970 -4.510 304 2HB TYR 38 HB1 TYR 38 4.562 -4.208 -4.979 305 HD1 TYR 38 HD1 TYR 38 5.257 -4.109 -7.549 306 HD2 TYR 38 HD2 TYR 38 3.719 -0.833 -5.313 307 HE1 TYR 38 HE1 TYR 38 6.283 -2.546 -9.146 308 HE2 TYR 38 HE2 TYR 38 4.738 0.740 -6.903 309 HH TYR 38 HH TYR 38 6.054 -0.275 -9.904 310 H PHE 39 HN PHE 39 1.330 -4.660 -3.795 311 HA PHE 39 HA PHE 39 2.399 -7.056 -2.810 312 1HB PHE 39 HB2 PHE 39 0.023 -5.382 -2.209 313 2HB PHE 39 HB1 PHE 39 -0.018 -7.046 -1.633 314 HD1 PHE 39 HD1 PHE 39 2.603 -7.651 -0.751 315 HD2 PHE 39 HD2 PHE 39 0.517 -3.951 -0.492 316 HE1 PHE 39 HE1 PHE 39 3.979 -7.015 1.188 317 HE2 PHE 39 HE2 PHE 39 1.889 -3.307 1.446 318 HZ PHE 39 HZ PHE 39 3.623 -4.840 2.288 319 H LEU 40 HN LEU 40 -0.690 -6.487 -4.495 320 HA LEU 40 HA LEU 40 -1.508 -9.158 -4.606 321 1HB LEU 40 HB2 LEU 40 -2.177 -6.682 -6.114 322 2HB LEU 40 HB1 LEU 40 -2.695 -8.214 -6.791 323 HG LEU 40 HG LEU 40 -3.595 -8.528 -4.277 324 1HD1 LEU 40 HD11 LEU 40 -4.457 -6.509 -3.372 325 2HD1 LEU 40 HD12 LEU 40 -3.952 -5.584 -4.786 326 3HD1 LEU 40 HD13 LEU 40 -2.741 -6.245 -3.687 327 1HD2 LEU 40 HD21 LEU 40 -4.937 -7.133 -6.584 328 2HD2 LEU 40 HD22 LEU 40 -5.791 -7.687 -5.144 329 3HD2 LEU 40 HD23 LEU 40 -4.978 -8.852 -6.189 330 H HIS 41 HN HIS 41 0.334 -7.228 -6.949 331 HA HIS 41 HA HIS 41 0.544 -9.187 -8.941 332 1HB HIS 41 HB2 HIS 41 1.140 -6.690 -9.061 333 2HB HIS 41 HB1 HIS 41 2.693 -7.152 -8.372 334 HD1 HIS 41 HD1 HIS 41 1.277 -6.458 -11.500 335 HD2 HIS 41 HD2 HIS 41 3.791 -9.457 -10.100 336 HE1 HIS 41 HE1 HIS 41 2.410 -7.392 -13.540 337 HE2 HIS 41 HE2 HIS 41 3.989 -9.148 -12.660 338 H ALA 42 HN ALA 42 2.323 -8.700 -5.979 339 HA ALA 42 HA ALA 42 4.530 -10.370 -6.601 340 1HB ALA 42 HB1 ALA 42 5.248 -9.992 -4.457 341 2HB ALA 42 HB2 ALA 42 3.616 -10.010 -3.789 342 3HB ALA 42 HB3 ALA 42 4.182 -8.607 -4.690 343 H ILE 43 HN ILE 43 1.343 -10.950 -5.265 344 HA ILE 43 HA ILE 43 1.910 -13.640 -4.448 345 HB ILE 43 HB ILE 43 -0.797 -12.370 -4.868 346 1HG1 ILE 43 HG12 ILE 43 0.427 -12.620 -2.164 347 2HG1 ILE 43 HG11 ILE 43 1.015 -11.330 -3.206 348 1HG2 ILE 43 HG21 ILE 43 -1.658 -14.090 -3.482 349 2HG2 ILE 43 HG22 ILE 43 -0.044 -14.620 -3.013 350 3HG2 ILE 43 HG23 ILE 43 -0.617 -14.890 -4.659 351 1HD1 ILE 43 HD11 ILE 43 -1.831 -11.340 -3.276 352 2HD1 ILE 43 HD12 ILE 43 -0.737 -10.090 -2.688 353 3HD1 ILE 43 HD13 ILE 43 -1.291 -11.360 -1.597 354 H LYS 44 HN LYS 44 0.104 -12.150 -7.127 355 HA LYS 44 HA LYS 44 -0.732 -14.510 -8.365 356 1HB LYS 44 HB2 LYS 44 -1.122 -11.870 -8.835 357 2HB LYS 44 HB1 LYS 44 -0.040 -12.280 -10.160 358 1HG LYS 44 HG2 LYS 44 -1.903 -14.320 -10.160 359 2HG LYS 44 HG1 LYS 44 -2.848 -12.880 -9.802 360 1HD LYS 44 HD2 LYS 44 -2.870 -12.590 -12.020 361 2HD LYS 44 HD1 LYS 44 -1.222 -12.000 -11.800 362 1HE LYS 44 HE2 LYS 44 -1.789 -14.910 -12.220 363 2HE LYS 44 HE1 LYS 44 -1.652 -13.810 -13.590 364 1HZ LYS 44 HZ1 LYS 44 0.482 -13.690 -11.610 365 2HZ LYS 44 HZ2 LYS 44 0.559 -13.580 -13.300 366 3HZ LYS 44 HZ3 LYS 44 0.416 -15.090 -12.560 367 H TYR 45 HN TYR 45 2.108 -12.490 -9.102 368 HA TYR 45 HA TYR 45 3.155 -14.360 -10.990 369 1HB TYR 45 HB2 TYR 45 4.126 -11.820 -9.746 370 2HB TYR 45 HB1 TYR 45 5.281 -12.850 -10.570 371 HD1 TYR 45 HD1 TYR 45 1.760 -11.820 -11.300 372 HD2 TYR 45 HD2 TYR 45 5.788 -12.000 -12.650 373 HE1 TYR 45 HE1 TYR 45 1.076 -10.840 -13.450 374 HE2 TYR 45 HE2 TYR 45 5.116 -11.030 -14.810 375 HH TYR 45 HH TYR 45 1.910 -10.800 -15.800 376 H GLU 46 HN GLU 46 4.502 -13.230 -7.887 377 HA GLU 46 HA GLU 46 5.990 -15.740 -7.680 378 1HB GLU 46 HB2 GLU 46 6.227 -13.040 -6.426 379 2HB GLU 46 HB1 GLU 46 6.888 -14.430 -5.571 380 1HG GLU 46 HG2 GLU 46 7.789 -14.680 -8.203 381 2HG GLU 46 HG1 GLU 46 7.957 -12.970 -7.800 382 H ALA 47 HN ALA 47 4.143 -17.050 -7.190 383 HA ALA 47 HA ALA 47 2.691 -16.540 -4.737 384 1HB ALA 47 HB1 ALA 47 2.527 -18.640 -6.864 385 2HB ALA 47 HB2 ALA 47 1.319 -17.450 -6.378 386 3HB ALA 47 HB3 ALA 47 1.672 -18.830 -5.332 387 H HIS 48 HN HIS 48 3.294 -17.220 -2.798 388 HA HIS 48 HA HIS 48 5.349 -19.320 -2.623 389 1HB HIS 48 HB2 HIS 48 5.059 -16.780 -1.348 390 2HB HIS 48 HB1 HIS 48 4.977 -18.030 -0.111 391 HD1 HIS 48 HD1 HIS 48 7.349 -15.990 -1.780 392 HD2 HIS 48 HD2 HIS 48 7.302 -19.950 -0.513 393 HE1 HIS 48 HE1 HIS 48 9.763 -16.690 -1.661 394 HE2 HIS 48 HE2 HIS 48 9.705 -19.110 -0.976 395 H SER 49 HN SER 49 5.042 -20.000 0.055 396 HA SER 49 HA SER 49 3.022 -21.950 -0.080 397 1HB SER 49 HB2 SER 49 4.967 -21.020 1.940 398 2HB SER 49 HB1 SER 49 3.529 -21.800 2.589 399 HG SER 49 HG SER 49 5.514 -22.840 0.889 400 H ASP 50 HN ASP 50 1.359 -22.180 1.761 401 HA ASP 50 HA ASP 50 -0.593 -20.200 1.446 402 1HB ASP 50 HB2 ASP 50 -0.312 -22.700 2.885 403 2HB ASP 50 HB1 ASP 50 -1.199 -21.520 3.848 404 H LYS 51 HN LYS 51 1.887 -20.620 3.889 405 HA LYS 51 HA LYS 51 0.901 -18.790 5.789 406 1HB LYS 51 HB2 LYS 51 3.217 -20.400 5.450 407 2HB LYS 51 HB1 LYS 51 3.765 -18.760 5.769 408 1HG LYS 51 HG2 LYS 51 1.867 -18.990 7.662 409 2HG LYS 51 HG1 LYS 51 2.391 -20.670 7.527 410 1HD LYS 51 HD2 LYS 51 4.360 -20.250 8.514 411 2HD LYS 51 HD1 LYS 51 4.605 -18.770 7.589 412 1HE LYS 51 HE2 LYS 51 2.500 -18.640 9.639 413 2HE LYS 51 HE1 LYS 51 4.138 -18.850 10.257 414 1HZ LYS 51 HZ1 LYS 51 4.829 -16.900 9.035 415 2HZ LYS 51 HZ2 LYS 51 3.539 -16.510 10.059 416 3HZ LYS 51 HZ3 LYS 51 3.272 -16.700 8.400 417 H ALA 52 HN ALA 52 3.168 -18.360 3.091 418 HA ALA 52 HA ALA 52 3.529 -15.560 3.580 419 1HB ALA 52 HB1 ALA 52 4.908 -17.420 2.161 420 2HB ALA 52 HB2 ALA 52 5.127 -15.680 2.007 421 3HB ALA 52 HB3 ALA 52 4.091 -16.540 0.870 422 H LYS 53 HN LYS 53 1.368 -17.480 1.607 423 HA LYS 53 HA LYS 53 0.420 -15.380 -0.041 424 1HB LYS 53 HB2 LYS 53 0.178 -17.930 -0.360 425 2HB LYS 53 HB1 LYS 53 -1.200 -17.800 0.723 426 1HG LYS 53 HG2 LYS 53 -2.450 -16.590 -0.792 427 2HG LYS 53 HG1 LYS 53 -1.026 -16.030 -1.673 428 1HD LYS 53 HD2 LYS 53 -0.889 -17.930 -2.921 429 2HD LYS 53 HD1 LYS 53 -1.510 -18.950 -1.628 430 1HE LYS 53 HE2 LYS 53 -3.747 -18.310 -2.070 431 2HE LYS 53 HE1 LYS 53 -3.233 -16.990 -3.126 432 1HZ LYS 53 HZ1 LYS 53 -2.374 -18.640 -4.682 433 2HZ LYS 53 HZ2 LYS 53 -4.028 -18.860 -4.409 434 3HZ LYS 53 HZ3 LYS 53 -2.907 -19.900 -3.673 435 H GLU 54 HN GLU 54 -0.841 -16.840 2.949 436 HA GLU 54 HA GLU 54 -3.130 -15.190 3.123 437 1HB GLU 54 HB2 GLU 54 -3.332 -16.000 5.400 438 2HB GLU 54 HB1 GLU 54 -2.885 -17.330 4.337 439 1HG GLU 54 HG2 GLU 54 -0.544 -17.080 5.062 440 2HG GLU 54 HG1 GLU 54 -1.048 -15.820 6.181 441 H SER 55 HN SER 55 0.151 -14.880 4.372 442 HA SER 55 HA SER 55 -0.251 -12.690 6.073 443 1HB SER 55 HB2 SER 55 2.105 -13.850 4.649 444 2HB SER 55 HB1 SER 55 2.269 -12.250 5.369 445 HG SER 55 HG SER 55 2.535 -14.500 6.604 446 H ILE 56 HN ILE 56 0.721 -12.770 2.652 447 HA ILE 56 HA ILE 56 0.802 -9.942 2.378 448 HB ILE 56 HB ILE 56 0.471 -11.960 0.167 449 1HG1 ILE 56 HG12 ILE 56 3.129 -10.840 0.943 450 2HG1 ILE 56 HG11 ILE 56 2.467 -12.170 1.900 451 1HG2 ILE 56 HG21 ILE 56 0.260 -9.316 -0.052 452 2HG2 ILE 56 HG22 ILE 56 0.970 -10.320 -1.311 453 3HG2 ILE 56 HG23 ILE 56 2.013 -9.470 -0.175 454 1HD1 ILE 56 HD11 ILE 56 3.798 -13.220 0.316 455 2HD1 ILE 56 HD12 ILE 56 3.263 -12.150 -0.982 456 3HD1 ILE 56 HD13 ILE 56 2.168 -13.370 -0.337 457 H ARG 57 HN ARG 57 -1.628 -12.410 1.682 458 HA ARG 57 HA ARG 57 -3.465 -10.790 0.323 459 1HB ARG 57 HB2 ARG 57 -3.416 -13.370 0.697 460 2HB ARG 57 HB1 ARG 57 -4.350 -13.010 2.142 461 1HG ARG 57 HG2 ARG 57 -6.030 -13.400 0.651 462 2HG ARG 57 HG1 ARG 57 -5.838 -11.650 0.457 463 1HD ARG 57 HD2 ARG 57 -4.369 -12.050 -1.478 464 2HD ARG 57 HD1 ARG 57 -4.629 -13.790 -1.297 465 HE ARG 57 HE ARG 57 -6.682 -13.550 -2.286 466 1HH1 ARG 57 HH11 ARG 57 -5.502 -10.400 -1.355 467 2HH1 ARG 57 HH12 ARG 57 -6.763 -9.552 -2.181 468 1HH2 ARG 57 HH21 ARG 57 -8.340 -12.430 -3.372 469 2HH2 ARG 57 HH22 ARG 57 -8.375 -10.700 -3.325 470 H ALA 58 HN ALA 58 -2.947 -11.320 3.764 471 HA ALA 58 HA ALA 58 -5.280 -9.855 4.562 472 1HB ALA 58 HB1 ALA 58 -4.470 -10.150 6.822 473 2HB ALA 58 HB2 ALA 58 -2.903 -10.690 6.218 474 3HB ALA 58 HB3 ALA 58 -4.340 -11.670 5.933 475 H LYS 59 HN LYS 59 -1.941 -9.119 3.920 476 HA LYS 59 HA LYS 59 -1.814 -6.656 5.319 477 1HB LYS 59 HB2 LYS 59 -0.168 -8.054 3.281 478 2HB LYS 59 HB1 LYS 59 0.053 -6.315 3.423 479 1HG LYS 59 HG2 LYS 59 0.542 -6.576 5.807 480 2HG LYS 59 HG1 LYS 59 0.341 -8.323 5.648 481 1HD LYS 59 HD2 LYS 59 2.212 -7.119 3.730 482 2HD LYS 59 HD1 LYS 59 2.712 -7.008 5.419 483 1HE LYS 59 HE2 LYS 59 1.919 -9.570 5.354 484 2HE LYS 59 HE1 LYS 59 2.413 -9.375 3.673 485 1HZ LYS 59 HZ1 LYS 59 4.196 -10.160 5.187 486 2HZ LYS 59 HZ2 LYS 59 4.135 -8.673 5.985 487 3HZ LYS 59 HZ3 LYS 59 4.586 -8.741 4.356 488 H CYS 60 HN CYS 60 -2.328 -7.405 1.873 489 HA CYS 60 HA CYS 60 -2.643 -4.778 0.982 490 1HB CYS 60 HB2 CYS 60 -3.719 -5.734 -0.982 491 2HB CYS 60 HB1 CYS 60 -2.336 -6.718 -0.514 492 HG CYS 60 HG CYS 60 -3.828 -8.639 -0.341 493 H VAL 61 HN VAL 61 -5.012 -7.052 2.288 494 HA VAL 61 HA VAL 61 -7.322 -5.548 1.765 495 HB VAL 61 HB VAL 61 -6.885 -7.402 4.109 496 1HG1 VAL 61 HG11 VAL 61 -9.339 -6.342 2.737 497 2HG1 VAL 61 HG12 VAL 61 -8.903 -6.237 4.442 498 3HG1 VAL 61 HG13 VAL 61 -9.370 -7.788 3.745 499 1HG2 VAL 61 HG21 VAL 61 -6.527 -8.095 1.508 500 2HG2 VAL 61 HG22 VAL 61 -8.246 -8.426 1.720 501 3HG2 VAL 61 HG23 VAL 61 -7.062 -9.200 2.774 502 H GLN 62 HN GLN 62 -5.014 -5.438 4.416 503 HA GLN 62 HA GLN 62 -6.558 -3.680 6.049 504 1HB GLN 62 HB2 GLN 62 -4.320 -5.232 6.434 505 2HB GLN 62 HB1 GLN 62 -3.654 -3.605 6.443 506 1HG GLN 62 HG2 GLN 62 -6.080 -4.102 8.069 507 2HG GLN 62 HG1 GLN 62 -4.556 -4.787 8.632 508 1HE2 GLN 62 HE21 GLN 62 -2.703 -3.220 8.664 509 2HE2 GLN 62 HE22 GLN 62 -3.038 -1.622 9.229 510 H TYR 63 HN TYR 63 -4.061 -3.253 3.610 511 HA TYR 63 HA TYR 63 -3.657 -0.476 4.085 512 1HB TYR 63 HB2 TYR 63 -3.031 -2.240 1.715 513 2HB TYR 63 HB1 TYR 63 -2.580 -0.541 1.799 514 HD1 TYR 63 HD1 TYR 63 -1.549 -0.105 4.405 515 HD2 TYR 63 HD2 TYR 63 -1.183 -3.586 1.987 516 HE1 TYR 63 HE1 TYR 63 0.514 -0.710 5.599 517 HE2 TYR 63 HE2 TYR 63 0.881 -4.201 3.174 518 HH TYR 63 HH TYR 63 1.970 -3.774 5.318 519 H LEU 64 HN LEU 64 -5.783 -2.328 1.984 520 HA LEU 64 HA LEU 64 -6.683 -0.216 0.363 521 1HB LEU 64 HB2 LEU 64 -7.692 -2.920 1.082 522 2HB LEU 64 HB1 LEU 64 -8.821 -1.806 0.336 523 HG LEU 64 HG LEU 64 -6.180 -2.184 -0.983 524 1HD1 LEU 64 HD11 LEU 64 -7.019 -4.155 -2.179 525 2HD1 LEU 64 HD12 LEU 64 -8.424 -4.193 -1.114 526 3HD1 LEU 64 HD13 LEU 64 -6.811 -4.465 -0.456 527 1HD2 LEU 64 HD21 LEU 64 -7.599 -1.952 -2.994 528 2HD2 LEU 64 HD22 LEU 64 -7.725 -0.577 -1.897 529 3HD2 LEU 64 HD23 LEU 64 -9.008 -1.786 -1.947 530 H ASP 65 HN ASP 65 -7.806 -1.425 3.484 531 HA ASP 65 HA ASP 65 -10.150 0.130 3.643 532 1HB ASP 65 HB2 ASP 65 -9.154 -1.864 5.140 533 2HB ASP 65 HB1 ASP 65 -8.694 -0.499 6.152 534 H ARG 66 HN ARG 66 -6.879 0.693 4.915 535 HA ARG 66 HA ARG 66 -7.407 3.150 6.152 536 1HB ARG 66 HB2 ARG 66 -4.916 1.863 5.084 537 2HB ARG 66 HB1 ARG 66 -4.867 3.505 5.709 538 1HG ARG 66 HG2 ARG 66 -6.074 1.337 7.365 539 2HG ARG 66 HG1 ARG 66 -4.318 1.489 7.259 540 1HD ARG 66 HD2 ARG 66 -4.851 2.774 9.121 541 2HD ARG 66 HD1 ARG 66 -4.717 3.968 7.831 542 HE ARG 66 HE ARG 66 -6.955 4.411 8.049 543 1HH1 ARG 66 HH11 ARG 66 -6.215 1.442 9.727 544 2HH1 ARG 66 HH12 ARG 66 -7.777 1.323 10.465 545 1HH2 ARG 66 HH21 ARG 66 -9.009 4.257 9.020 546 2HH2 ARG 66 HH22 ARG 66 -9.364 2.920 10.063 547 H ALA 67 HN ALA 67 -6.212 2.430 2.886 548 HA ALA 67 HA ALA 67 -5.825 5.048 2.014 549 1HB ALA 67 HB1 ALA 67 -5.395 4.134 -0.003 550 2HB ALA 67 HB2 ALA 67 -6.857 3.149 0.011 551 3HB ALA 67 HB3 ALA 67 -5.433 2.626 0.910 552 H GLU 68 HN GLU 68 -8.756 3.199 2.380 553 HA GLU 68 HA GLU 68 -10.400 4.850 0.742 554 1HB GLU 68 HB2 GLU 68 -10.910 2.746 2.815 555 2HB GLU 68 HB1 GLU 68 -12.240 3.730 2.216 556 1HG GLU 68 HG2 GLU 68 -10.980 2.920 -0.089 557 2HG GLU 68 HG1 GLU 68 -10.840 1.512 0.964 558 H LYS 69 HN LYS 69 -9.618 4.788 4.182 559 HA LYS 69 HA LYS 69 -11.490 6.771 4.956 560 1HB LYS 69 HB2 LYS 69 -10.100 5.045 6.377 561 2HB LYS 69 HB1 LYS 69 -8.932 6.352 6.445 562 1HG LYS 69 HG2 LYS 69 -11.630 7.232 7.066 563 2HG LYS 69 HG1 LYS 69 -11.040 5.977 8.158 564 1HD LYS 69 HD2 LYS 69 -9.147 8.150 7.536 565 2HD LYS 69 HD1 LYS 69 -10.550 8.605 8.495 566 1HE LYS 69 HE2 LYS 69 -9.510 7.816 10.289 567 2HE LYS 69 HE1 LYS 69 -9.646 6.201 9.598 568 1HZ LYS 69 HZ1 LYS 69 -7.507 6.272 8.787 569 2HZ LYS 69 HZ2 LYS 69 -7.337 7.110 10.247 570 3HZ LYS 69 HZ3 LYS 69 -7.431 7.963 8.790 571 H LEU 70 HN LEU 70 -8.204 6.880 3.756 572 HA LEU 70 HA LEU 70 -7.613 9.548 4.441 573 1HB LEU 70 HB2 LEU 70 -6.584 7.917 2.118 574 2HB LEU 70 HB1 LEU 70 -5.867 9.398 2.719 575 HG LEU 70 HG LEU 70 -6.115 6.863 4.337 576 1HD1 LEU 70 HD11 LEU 70 -4.093 6.172 3.623 577 2HD1 LEU 70 HD12 LEU 70 -3.477 7.813 3.434 578 3HD1 LEU 70 HD13 LEU 70 -4.512 7.111 2.191 579 1HD2 LEU 70 HD21 LEU 70 -4.407 9.290 4.843 580 2HD2 LEU 70 HD22 LEU 70 -4.706 7.927 5.922 581 3HD2 LEU 70 HD23 LEU 70 -6.005 9.063 5.554 582 H LYS 71 HN LYS 71 -9.166 8.114 1.615 583 HA LYS 71 HA LYS 71 -9.277 10.485 0.072 584 1HB LYS 71 HB2 LYS 71 -9.769 7.887 -0.458 585 2HB LYS 71 HB1 LYS 71 -11.410 8.470 -0.286 586 1HG LYS 71 HG2 LYS 71 -10.520 10.364 -1.905 587 2HG LYS 71 HG1 LYS 71 -9.389 9.090 -2.353 588 1HD LYS 71 HD2 LYS 71 -11.530 7.619 -2.516 589 2HD LYS 71 HD1 LYS 71 -12.360 9.172 -2.642 590 1HE LYS 71 HE2 LYS 71 -10.350 9.528 -4.417 591 2HE LYS 71 HE1 LYS 71 -10.610 7.792 -4.567 592 1HZ LYS 71 HZ1 LYS 71 -12.980 8.258 -4.955 593 2HZ LYS 71 HZ2 LYS 71 -11.980 8.956 -6.132 594 3HZ LYS 71 HZ3 LYS 71 -12.650 9.918 -4.913 595 H ASP 72 HN ASP 72 -11.650 8.905 2.191 596 HA ASP 72 HA ASP 72 -13.720 10.770 1.807 597 1HB ASP 72 HB2 ASP 72 -13.100 8.650 3.792 598 2HB ASP 72 HB1 ASP 72 -14.270 9.874 4.277 599 H TYR 73 HN TYR 73 -10.890 10.813 3.836 600 HA TYR 73 HA TYR 73 -11.760 12.887 5.582 601 1HB TYR 73 HB2 TYR 73 -9.967 11.305 6.182 602 2HB TYR 73 HB1 TYR 73 -8.951 12.001 4.924 603 HD1 TYR 73 HD1 TYR 73 -8.256 14.424 5.136 604 HD2 TYR 73 HD2 TYR 73 -10.080 12.277 8.324 605 HE1 TYR 73 HE1 TYR 73 -7.420 16.097 6.734 606 HE2 TYR 73 HE2 TYR 73 -9.252 13.944 9.930 607 HH TYR 73 HH TYR 73 -6.933 16.325 9.076 608 H LEU 74 HN LEU 74 -9.586 12.845 2.766 609 HA LEU 74 HA LEU 74 -9.243 15.682 2.771 610 1HB LEU 74 HB2 LEU 74 -8.048 15.362 0.692 611 2HB LEU 74 HB1 LEU 74 -7.541 14.167 1.870 612 HG LEU 74 HG LEU 74 -9.422 12.730 0.620 613 1HD1 LEU 74 HD11 LEU 74 -9.846 13.280 -1.533 614 2HD1 LEU 74 HD12 LEU 74 -8.282 14.066 -1.757 615 3HD1 LEU 74 HD13 LEU 74 -9.580 14.910 -0.912 616 1HD2 LEU 74 HD21 LEU 74 -7.597 11.773 -0.743 617 2HD2 LEU 74 HD22 LEU 74 -7.139 12.018 0.942 618 3HD2 LEU 74 HD23 LEU 74 -6.579 13.142 -0.296 619 H ARG 75 HN ARG 75 -11.280 13.418 0.993 620 HA ARG 75 HA ARG 75 -12.300 15.208 -0.905 621 1HB ARG 75 HB2 ARG 75 -13.320 12.652 0.292 622 2HB ARG 75 HB1 ARG 75 -14.330 13.577 -0.805 623 1HG ARG 75 HG2 ARG 75 -12.040 13.475 -2.231 624 2HG ARG 75 HG1 ARG 75 -11.940 11.951 -1.348 625 1HD ARG 75 HD2 ARG 75 -13.230 11.140 -2.997 626 2HD ARG 75 HD1 ARG 75 -14.550 11.953 -2.161 627 HE ARG 75 HE ARG 75 -13.170 13.630 -4.042 628 1HH1 ARG 75 HH11 ARG 75 -15.710 11.277 -3.640 629 2HH1 ARG 75 HH12 ARG 75 -16.590 11.800 -5.040 630 1HH2 ARG 75 HH21 ARG 75 -14.320 14.320 -5.883 631 2HH2 ARG 75 HH22 ARG 75 -15.800 13.528 -6.314 632 H SER 76 HN SER 76 -13.690 14.189 2.218 633 HA SER 76 HA SER 76 -15.920 15.868 2.153 634 1HB SER 76 HB2 SER 76 -15.330 13.912 3.766 635 2HB SER 76 HB1 SER 76 -14.550 15.167 4.730 636 HG SER 76 HG SER 76 -17.000 14.553 4.898 637 H LYS 77 HN LYS 77 -12.770 16.360 3.737 638 HA LYS 77 HA LYS 77 -13.390 19.038 4.528 639 1HB LYS 77 HB2 LYS 77 -11.580 17.237 5.387 640 2HB LYS 77 HB1 LYS 77 -10.560 18.202 4.332 641 1HG LYS 77 HG2 LYS 77 -10.600 19.988 5.703 642 2HG LYS 77 HG1 LYS 77 -12.270 19.714 6.190 643 1HD LYS 77 HD2 LYS 77 -11.560 17.896 7.651 644 2HD LYS 77 HD1 LYS 77 -9.889 18.127 7.141 645 1HE LYS 77 HE2 LYS 77 -9.799 19.391 9.011 646 2HE LYS 77 HE1 LYS 77 -10.460 20.622 7.939 647 1HZ LYS 77 HZ1 LYS 77 -11.840 20.683 9.788 648 2HZ LYS 77 HZ2 LYS 77 -11.850 19.003 9.975 649 3HZ LYS 77 HZ3 LYS 77 -12.710 19.720 8.707 Start of MODEL 6 1 1H MET 1 HT1 MET 1 22.622 -2.980 -8.313 2 2H MET 1 HT2 MET 1 22.424 -4.685 -8.316 3 3H MET 1 HT3 MET 1 23.419 -3.937 -7.135 4 HA MET 1 HA MET 1 21.391 -4.542 -6.146 5 1HB MET 1 HB2 MET 1 22.558 -2.050 -6.128 6 2HB MET 1 HB1 MET 1 20.870 -1.668 -6.434 7 1HG MET 1 HG2 MET 1 20.529 -3.370 -4.425 8 2HG MET 1 HG1 MET 1 22.156 -2.818 -4.031 9 1HE MET 1 HE1 MET 1 18.370 -1.677 -3.085 10 2HE MET 1 HE2 MET 1 18.651 -2.136 -4.765 11 3HE MET 1 HE3 MET 1 18.321 -0.454 -4.355 12 H THR 2 HN THR 2 19.292 -5.035 -6.370 13 HA THR 2 HA THR 2 17.742 -3.718 -8.485 14 HB THR 2 HB THR 2 17.662 -6.698 -8.010 15 HG1 THR 2 HG1 THR 2 18.985 -5.294 -10.080 16 1HG2 THR 2 HG21 THR 2 16.458 -4.903 -10.080 17 2HG2 THR 2 HG22 THR 2 15.667 -6.100 -9.054 18 3HG2 THR 2 HG23 THR 2 16.718 -6.623 -10.370 19 H THR 3 HN THR 3 15.596 -3.405 -8.038 20 HA THR 3 HA THR 3 14.793 -3.931 -5.276 21 HB THR 3 HB THR 3 12.893 -2.344 -5.886 22 HG1 THR 3 HG1 THR 3 12.962 -1.322 -7.772 23 1HG2 THR 3 HG21 THR 3 15.496 -0.968 -6.339 24 2HG2 THR 3 HG22 THR 3 15.147 -1.712 -4.780 25 3HG2 THR 3 HG23 THR 3 14.093 -0.446 -5.408 26 H SER 4 HN SER 4 13.617 -5.674 -4.875 27 HA SER 4 HA SER 4 12.346 -7.193 -6.913 28 1HB SER 4 HB2 SER 4 13.155 -7.665 -4.300 29 2HB SER 4 HB1 SER 4 11.396 -7.754 -4.211 30 HG SER 4 HG SER 4 13.026 -9.177 -6.050 31 H THR 5 HN THR 5 9.961 -7.960 -6.374 32 HA THR 5 HA THR 5 8.317 -5.639 -6.782 33 HB THR 5 HB THR 5 7.489 -8.531 -6.476 34 HG1 THR 5 HG1 THR 5 8.322 -8.784 -8.365 35 1HG2 THR 5 HG21 THR 5 5.883 -6.283 -6.637 36 2HG2 THR 5 HG22 THR 5 5.407 -7.953 -6.945 37 3HG2 THR 5 HG23 THR 5 5.921 -6.921 -8.280 38 H LEU 6 HN LEU 6 8.766 -8.029 -4.224 39 HA LEU 6 HA LEU 6 6.641 -7.036 -2.592 40 1HB LEU 6 HB2 LEU 6 8.089 -9.335 -2.627 41 2HB LEU 6 HB1 LEU 6 8.843 -8.496 -1.284 42 HG LEU 6 HG LEU 6 6.261 -8.168 -0.606 43 1HD1 LEU 6 HD11 LEU 6 5.429 -10.660 -1.018 44 2HD1 LEU 6 HD12 LEU 6 6.364 -10.440 -2.495 45 3HD1 LEU 6 HD13 LEU 6 5.041 -9.339 -2.113 46 1HD2 LEU 6 HD21 LEU 6 6.591 -9.876 1.006 47 2HD2 LEU 6 HD22 LEU 6 8.173 -9.163 0.695 48 3HD2 LEU 6 HD23 LEU 6 7.750 -10.710 -0.023 49 H GLN 7 HN GLN 7 10.089 -6.436 -2.842 50 HA GLN 7 HA GLN 7 10.333 -4.959 -0.426 51 1HB GLN 7 HB2 GLN 7 12.192 -6.046 -1.824 52 2HB GLN 7 HB1 GLN 7 12.098 -4.616 -2.841 53 1HG GLN 7 HG2 GLN 7 13.529 -3.636 -1.471 54 2HG GLN 7 HG1 GLN 7 12.270 -3.641 -0.238 55 1HE2 GLN 7 HE21 GLN 7 12.903 -4.451 1.615 56 2HE2 GLN 7 HE22 GLN 7 14.070 -5.706 1.841 57 H LYS 8 HN LYS 8 9.418 -4.146 -3.697 58 HA LYS 8 HA LYS 8 9.693 -1.324 -3.421 59 1HB LYS 8 HB2 LYS 8 8.481 -3.178 -5.407 60 2HB LYS 8 HB1 LYS 8 7.928 -1.509 -5.420 61 1HG LYS 8 HG2 LYS 8 10.413 -0.889 -5.503 62 2HG LYS 8 HG1 LYS 8 10.676 -2.578 -5.939 63 1HD LYS 8 HD2 LYS 8 8.598 -1.059 -7.425 64 2HD LYS 8 HD1 LYS 8 10.291 -0.701 -7.771 65 1HE LYS 8 HE2 LYS 8 9.381 -3.541 -7.694 66 2HE LYS 8 HE1 LYS 8 9.014 -2.557 -9.111 67 1HZ LYS 8 HZ1 LYS 8 11.410 -2.058 -9.275 68 2HZ LYS 8 HZ2 LYS 8 11.069 -3.705 -9.458 69 3HZ LYS 8 HZ3 LYS 8 11.707 -3.131 -8.001 70 H ALA 9 HN ALA 9 7.157 -3.622 -2.728 71 HA ALA 9 HA ALA 9 5.051 -1.723 -2.462 72 1HB ALA 9 HB1 ALA 9 3.746 -3.509 -1.598 73 2HB ALA 9 HB2 ALA 9 5.184 -4.438 -1.168 74 3HB ALA 9 HB3 ALA 9 4.770 -4.188 -2.864 75 H ILE 10 HN ILE 10 7.485 -3.010 -0.301 76 HA ILE 10 HA ILE 10 6.289 -2.056 2.109 77 HB ILE 10 HB ILE 10 9.201 -2.699 1.649 78 1HG1 ILE 10 HG12 ILE 10 7.181 -4.624 2.764 79 2HG1 ILE 10 HG11 ILE 10 7.423 -4.494 1.025 80 1HG2 ILE 10 HG21 ILE 10 8.835 -1.532 3.716 81 2HG2 ILE 10 HG22 ILE 10 9.144 -3.231 4.074 82 3HG2 ILE 10 HG23 ILE 10 7.497 -2.602 4.132 83 1HD1 ILE 10 HD11 ILE 10 8.824 -6.105 2.761 84 2HD1 ILE 10 HD12 ILE 10 9.925 -4.760 2.458 85 3HD1 ILE 10 HD13 ILE 10 9.284 -5.696 1.108 86 H ASP 11 HN ASP 11 8.453 -0.708 -0.275 87 HA ASP 11 HA ASP 11 9.343 1.488 1.316 88 1HB ASP 11 HB2 ASP 11 9.805 0.470 -1.348 89 2HB ASP 11 HB1 ASP 11 9.561 2.214 -1.393 90 H LEU 12 HN LEU 12 6.619 0.906 -0.789 91 HA LEU 12 HA LEU 12 5.852 3.642 -1.064 92 1HB LEU 12 HB2 LEU 12 4.691 1.002 -1.744 93 2HB LEU 12 HB1 LEU 12 3.560 2.330 -1.562 94 HG LEU 12 HG LEU 12 4.258 1.979 -3.903 95 1HD1 LEU 12 HD11 LEU 12 4.285 4.205 -4.404 96 2HD1 LEU 12 HD12 LEU 12 5.456 4.590 -3.143 97 3HD1 LEU 12 HD13 LEU 12 3.771 4.286 -2.718 98 1HD2 LEU 12 HD21 LEU 12 6.644 2.889 -4.382 99 2HD2 LEU 12 HD22 LEU 12 6.437 1.212 -3.877 100 3HD2 LEU 12 HD23 LEU 12 6.961 2.426 -2.710 101 H VAL 13 HN VAL 13 5.204 1.115 1.254 102 HA VAL 13 HA VAL 13 2.984 2.412 2.503 103 HB VAL 13 HB VAL 13 4.784 0.292 3.682 104 1HG1 VAL 13 HG11 VAL 13 1.900 0.896 4.305 105 2HG1 VAL 13 HG12 VAL 13 3.255 1.550 5.226 106 3HG1 VAL 13 HG13 VAL 13 2.989 -0.193 5.166 107 1HG2 VAL 13 HG21 VAL 13 3.608 -1.355 2.616 108 2HG2 VAL 13 HG22 VAL 13 3.552 -0.098 1.379 109 3HG2 VAL 13 HG23 VAL 13 2.163 -0.360 2.434 110 H THR 14 HN THR 14 6.452 2.481 2.905 111 HA THR 14 HA THR 14 6.455 3.724 5.471 112 HB THR 14 HB THR 14 8.643 3.783 3.388 113 HG1 THR 14 HG1 THR 14 8.595 1.703 3.668 114 1HG2 THR 14 HG21 THR 14 9.137 5.261 5.210 115 2HG2 THR 14 HG22 THR 14 10.141 3.818 5.343 116 3HG2 THR 14 HG23 THR 14 8.731 4.010 6.385 117 H LYS 15 HN LYS 15 6.636 4.909 2.149 118 HA LYS 15 HA LYS 15 7.057 7.634 2.882 119 1HB LYS 15 HB2 LYS 15 6.742 6.097 0.420 120 2HB LYS 15 HB1 LYS 15 5.974 7.677 0.334 121 1HG LYS 15 HG2 LYS 15 8.017 8.331 -0.328 122 2HG LYS 15 HG1 LYS 15 8.342 8.369 1.405 123 1HD LYS 15 HD2 LYS 15 8.852 5.767 0.848 124 2HD LYS 15 HD1 LYS 15 9.327 6.529 -0.671 125 1HE LYS 15 HE2 LYS 15 10.572 8.201 0.917 126 2HE LYS 15 HE1 LYS 15 10.466 6.869 2.066 127 1HZ LYS 15 HZ1 LYS 15 11.676 5.467 0.605 128 2HZ LYS 15 HZ2 LYS 15 12.536 6.921 0.709 129 3HZ LYS 15 HZ3 LYS 15 11.600 6.589 -0.660 130 H ALA 16 HN ALA 16 4.262 5.613 2.445 131 HA ALA 16 HA ALA 16 2.360 7.712 2.137 132 1HB ALA 16 HB1 ALA 16 1.463 5.150 3.296 133 2HB ALA 16 HB2 ALA 16 2.253 5.064 1.721 134 3HB ALA 16 HB3 ALA 16 0.820 6.071 1.935 135 H THR 17 HN THR 17 3.303 5.678 4.904 136 HA THR 17 HA THR 17 1.573 6.800 6.785 137 HB THR 17 HB THR 17 2.733 4.737 7.253 138 HG1 THR 17 HG1 THR 17 2.227 5.981 9.071 139 1HG2 THR 17 HG21 THR 17 4.844 5.213 6.082 140 2HG2 THR 17 HG22 THR 17 5.086 4.593 7.716 141 3HG2 THR 17 HG23 THR 17 5.291 6.313 7.385 142 H GLU 18 HN GLU 18 4.922 7.674 5.979 143 HA GLU 18 HA GLU 18 5.198 9.723 7.880 144 1HB GLU 18 HB2 GLU 18 7.100 10.469 6.556 145 2HB GLU 18 HB1 GLU 18 7.099 8.716 6.689 146 1HG GLU 18 HG2 GLU 18 6.205 8.516 4.450 147 2HG GLU 18 HG1 GLU 18 6.105 10.271 4.312 148 H GLU 19 HN GLU 19 3.713 9.654 4.727 149 HA GLU 19 HA GLU 19 3.574 12.497 4.416 150 1HB GLU 19 HB2 GLU 19 2.709 10.124 2.920 151 2HB GLU 19 HB1 GLU 19 1.616 11.494 2.775 152 1HG GLU 19 HG2 GLU 19 3.072 12.702 1.560 153 2HG GLU 19 HG1 GLU 19 4.473 12.107 2.448 154 H ASP 20 HN ASP 20 1.384 9.984 5.583 155 HA ASP 20 HA ASP 20 -0.968 11.433 5.776 156 1HB ASP 20 HB2 ASP 20 0.116 8.992 6.943 157 2HB ASP 20 HB1 ASP 20 -0.979 9.824 8.045 158 H LYS 21 HN LYS 21 1.634 11.135 8.180 159 HA LYS 21 HA LYS 21 0.382 12.927 10.026 160 1HB LYS 21 HB2 LYS 21 2.504 12.780 11.267 161 2HB LYS 21 HB1 LYS 21 1.881 11.194 10.833 162 1HG LYS 21 HG2 LYS 21 3.479 11.629 8.728 163 2HG LYS 21 HG1 LYS 21 4.328 12.580 9.949 164 1HD LYS 21 HD2 LYS 21 3.789 10.299 11.328 165 2HD LYS 21 HD1 LYS 21 4.015 9.669 9.694 166 1HE LYS 21 HE2 LYS 21 6.192 9.661 10.259 167 2HE LYS 21 HE1 LYS 21 6.105 11.379 9.871 168 1HZ LYS 21 HZ1 LYS 21 7.139 11.143 11.985 169 2HZ LYS 21 HZ2 LYS 21 5.903 10.141 12.560 170 3HZ LYS 21 HZ3 LYS 21 5.593 11.775 12.253 171 H ALA 22 HN ALA 22 2.248 13.360 7.205 172 HA ALA 22 HA ALA 22 3.185 16.005 8.012 173 1HB ALA 22 HB1 ALA 22 3.694 14.382 5.526 174 2HB ALA 22 HB2 ALA 22 4.804 14.652 6.870 175 3HB ALA 22 HB3 ALA 22 4.349 15.993 5.820 176 H LYS 23 HN LYS 23 0.304 15.316 7.506 177 HA LYS 23 HA LYS 23 -1.534 16.238 6.535 178 1HB LYS 23 HB2 LYS 23 0.471 18.462 6.398 179 2HB LYS 23 HB1 LYS 23 -1.116 18.666 5.670 180 1HG LYS 23 HG2 LYS 23 -1.142 17.637 8.419 181 2HG LYS 23 HG1 LYS 23 -0.509 19.274 8.234 182 1HD LYS 23 HD2 LYS 23 -2.518 20.123 7.608 183 2HD LYS 23 HD1 LYS 23 -2.999 18.648 6.766 184 1HE LYS 23 HE2 LYS 23 -2.956 17.779 9.329 185 2HE LYS 23 HE1 LYS 23 -3.426 19.463 9.563 186 1HZ LYS 23 HZ1 LYS 23 -5.185 19.057 7.851 187 2HZ LYS 23 HZ2 LYS 23 -5.400 18.217 9.302 188 3HZ LYS 23 HZ3 LYS 23 -4.814 17.409 7.937 189 H ASN 24 HN ASN 24 -0.010 14.513 4.894 190 HA ASN 24 HA ASN 24 -0.426 15.722 2.239 191 1HB ASN 24 HB2 ASN 24 1.699 13.930 3.296 192 2HB ASN 24 HB1 ASN 24 1.169 13.652 1.640 193 1HD2 ASN 24 HD21 ASN 24 1.029 15.698 0.300 194 2HD2 ASN 24 HD22 ASN 24 2.341 16.810 0.461 195 H TYR 25 HN TYR 25 -2.612 14.708 3.505 196 HA TYR 25 HA TYR 25 -3.208 12.023 3.231 197 1HB TYR 25 HB2 TYR 25 -4.970 14.458 2.960 198 2HB TYR 25 HB1 TYR 25 -5.605 12.817 2.947 199 HD1 TYR 25 HD1 TYR 25 -5.925 11.618 4.963 200 HD2 TYR 25 HD2 TYR 25 -3.783 15.294 5.009 201 HE1 TYR 25 HE1 TYR 25 -6.003 11.626 7.420 202 HE2 TYR 25 HE2 TYR 25 -3.854 15.312 7.466 203 HH TYR 25 HH TYR 25 -5.673 14.066 9.263 204 H GLU 26 HN GLU 26 -3.293 14.573 0.800 205 HA GLU 26 HA GLU 26 -4.591 13.141 -1.235 206 1HB GLU 26 HB2 GLU 26 -2.952 15.584 -1.049 207 2HB GLU 26 HB1 GLU 26 -2.933 14.801 -2.623 208 1HG GLU 26 HG2 GLU 26 -5.579 15.159 -1.368 209 2HG GLU 26 HG1 GLU 26 -4.751 16.622 -1.898 210 H GLU 27 HN GLU 27 -1.110 13.632 -0.658 211 HA GLU 27 HA GLU 27 -0.245 11.966 -2.764 212 1HB GLU 27 HB2 GLU 27 1.028 13.728 -1.252 213 2HB GLU 27 HB1 GLU 27 1.420 12.297 -0.308 214 1HG GLU 27 HG2 GLU 27 3.196 12.247 -1.687 215 2HG GLU 27 HG1 GLU 27 2.065 11.391 -2.733 216 H ALA 28 HN ALA 28 -0.885 11.353 0.655 217 HA ALA 28 HA ALA 28 0.139 8.760 0.824 218 1HB ALA 28 HB1 ALA 28 -2.100 10.109 2.315 219 2HB ALA 28 HB2 ALA 28 -0.428 9.885 2.831 220 3HB ALA 28 HB3 ALA 28 -1.509 8.495 2.713 221 H LEU 29 HN LEU 29 -2.889 9.952 -0.461 222 HA LEU 29 HA LEU 29 -4.300 7.521 -0.548 223 1HB LEU 29 HB2 LEU 29 -5.223 9.846 -0.898 224 2HB LEU 29 HB1 LEU 29 -4.553 9.789 -2.516 225 HG LEU 29 HG LEU 29 -5.982 7.528 -2.594 226 1HD1 LEU 29 HD11 LEU 29 -6.706 8.093 -0.177 227 2HD1 LEU 29 HD12 LEU 29 -7.923 7.550 -1.332 228 3HD1 LEU 29 HD13 LEU 29 -7.775 9.265 -0.947 229 1HD2 LEU 29 HD21 LEU 29 -6.560 10.347 -3.267 230 2HD2 LEU 29 HD22 LEU 29 -7.920 9.225 -3.322 231 3HD2 LEU 29 HD23 LEU 29 -6.486 8.922 -4.303 232 H ARG 30 HN ARG 30 -2.220 9.109 -2.948 233 HA ARG 30 HA ARG 30 -2.514 6.981 -4.854 234 1HB ARG 30 HB2 ARG 30 -0.666 9.364 -4.720 235 2HB ARG 30 HB1 ARG 30 -0.651 8.207 -6.044 236 1HG ARG 30 HG2 ARG 30 -3.115 9.725 -5.238 237 2HG ARG 30 HG1 ARG 30 -1.957 10.326 -6.427 238 1HD ARG 30 HD2 ARG 30 -2.411 7.776 -7.304 239 2HD ARG 30 HD1 ARG 30 -3.989 8.231 -6.663 240 HE ARG 30 HE ARG 30 -2.822 10.221 -8.377 241 1HH1 ARG 30 HH11 ARG 30 -4.753 7.317 -8.269 242 2HH1 ARG 30 HH12 ARG 30 -5.538 7.633 -9.779 243 1HH2 ARG 30 HH21 ARG 30 -3.854 10.639 -10.360 244 2HH2 ARG 30 HH22 ARG 30 -5.027 9.518 -10.960 245 H LEU 31 HN LEU 31 -0.263 7.814 -2.319 246 HA LEU 31 HA LEU 31 1.827 6.064 -3.124 247 1HB LEU 31 HB2 LEU 31 1.202 7.751 -0.807 248 2HB LEU 31 HB1 LEU 31 2.130 6.318 -0.411 249 HG LEU 31 HG LEU 31 3.546 8.296 -0.829 250 1HD1 LEU 31 HD11 LEU 31 4.111 6.441 -3.085 251 2HD1 LEU 31 HD12 LEU 31 4.098 5.800 -1.441 252 3HD1 LEU 31 HD13 LEU 31 5.200 7.109 -1.868 253 1HD2 LEU 31 HD21 LEU 31 3.458 9.554 -2.695 254 2HD2 LEU 31 HD22 LEU 31 1.823 8.905 -2.819 255 3HD2 LEU 31 HD23 LEU 31 3.135 8.170 -3.740 256 H TYR 32 HN TYR 32 -0.879 5.748 -0.859 257 HA TYR 32 HA TYR 32 -0.175 3.149 0.041 258 1HB TYR 32 HB2 TYR 32 -2.399 5.020 0.407 259 2HB TYR 32 HB1 TYR 32 -2.898 3.332 0.432 260 HD1 TYR 32 HD1 TYR 32 -1.633 1.757 2.023 261 HD2 TYR 32 HD2 TYR 32 -1.461 5.998 2.308 262 HE1 TYR 32 HE1 TYR 32 -0.877 1.563 4.355 263 HE2 TYR 32 HE2 TYR 32 -0.704 5.816 4.641 264 HH TYR 32 HH TYR 32 0.618 3.767 5.993 265 H GLN 33 HN GLN 33 -2.496 4.320 -2.378 266 HA GLN 33 HA GLN 33 -3.581 1.860 -3.113 267 1HB GLN 33 HB2 GLN 33 -3.203 4.442 -4.610 268 2HB GLN 33 HB1 GLN 33 -3.959 3.047 -5.368 269 1HG GLN 33 HG2 GLN 33 -5.612 3.031 -3.494 270 2HG GLN 33 HG1 GLN 33 -4.917 4.558 -2.953 271 1HE2 GLN 33 HE21 GLN 33 -6.909 2.984 -5.282 272 2HE2 GLN 33 HE22 GLN 33 -7.471 4.408 -6.083 273 H HIS 34 HN HIS 34 -0.558 3.367 -3.997 274 HA HIS 34 HA HIS 34 0.016 1.668 -6.209 275 1HB HIS 34 HB2 HIS 34 1.419 3.758 -4.679 276 2HB HIS 34 HB1 HIS 34 2.469 2.528 -5.376 277 HD1 HIS 34 HD1 HIS 34 3.155 2.936 -7.717 278 HD2 HIS 34 HD2 HIS 34 -0.353 4.945 -6.760 279 HE1 HIS 34 HE1 HIS 34 2.591 4.308 -9.747 280 HE2 HIS 34 HE2 HIS 34 0.418 5.447 -9.176 281 H ALA 35 HN ALA 35 1.009 1.670 -2.800 282 HA ALA 35 HA ALA 35 2.745 -0.515 -2.897 283 1HB ALA 35 HB1 ALA 35 2.995 0.387 -0.863 284 2HB ALA 35 HB2 ALA 35 1.682 -0.690 -0.388 285 3HB ALA 35 HB3 ALA 35 1.337 0.985 -0.817 286 H VAL 36 HN VAL 36 -0.753 -0.376 -2.675 287 HA VAL 36 HA VAL 36 -1.133 -3.115 -1.995 288 HB VAL 36 HB VAL 36 -3.114 -1.312 -3.384 289 1HG1 VAL 36 HG11 VAL 36 -3.325 -3.957 -2.906 290 2HG1 VAL 36 HG12 VAL 36 -4.700 -2.851 -2.930 291 3HG1 VAL 36 HG13 VAL 36 -3.965 -3.310 -1.394 292 1HG2 VAL 36 HG21 VAL 36 -3.811 -1.261 -0.755 293 2HG2 VAL 36 HG22 VAL 36 -2.888 -0.001 -1.574 294 3HG2 VAL 36 HG23 VAL 36 -2.051 -1.250 -0.652 295 H GLU 37 HN GLU 37 -0.808 -1.356 -5.004 296 HA GLU 37 HA GLU 37 -1.751 -3.429 -6.707 297 1HB GLU 37 HB2 GLU 37 -0.281 -0.865 -7.066 298 2HB GLU 37 HB1 GLU 37 -0.206 -2.036 -8.375 299 1HG GLU 37 HG2 GLU 37 -2.793 -1.097 -7.174 300 2HG GLU 37 HG1 GLU 37 -2.014 -0.294 -8.538 301 H TYR 38 HN TYR 38 1.377 -2.615 -5.349 302 HA TYR 38 HA TYR 38 2.879 -4.395 -6.997 303 1HB TYR 38 HB2 TYR 38 3.429 -2.795 -4.534 304 2HB TYR 38 HB1 TYR 38 4.552 -4.076 -4.978 305 HD1 TYR 38 HD1 TYR 38 3.367 -0.739 -5.731 306 HD2 TYR 38 HD2 TYR 38 5.751 -3.961 -7.158 307 HE1 TYR 38 HE1 TYR 38 4.460 0.783 -7.324 308 HE2 TYR 38 HE2 TYR 38 6.853 -2.448 -8.752 309 HH TYR 38 HH TYR 38 6.482 0.960 -8.609 310 H PHE 39 HN PHE 39 1.184 -4.679 -3.957 311 HA PHE 39 HA PHE 39 2.363 -7.155 -3.173 312 1HB PHE 39 HB2 PHE 39 0.015 -5.536 -2.273 313 2HB PHE 39 HB1 PHE 39 0.151 -7.208 -1.739 314 HD1 PHE 39 HD1 PHE 39 0.823 -3.960 -0.832 315 HD2 PHE 39 HD2 PHE 39 2.671 -7.793 -0.931 316 HE1 PHE 39 HE1 PHE 39 2.365 -3.259 0.954 317 HE2 PHE 39 HE2 PHE 39 4.215 -7.098 0.854 318 HZ PHE 39 HZ PHE 39 4.063 -4.829 1.800 319 H LEU 40 HN LEU 40 -0.708 -6.280 -4.728 320 HA LEU 40 HA LEU 40 -1.777 -8.857 -4.916 321 1HB LEU 40 HB2 LEU 40 -2.168 -6.359 -6.535 322 2HB LEU 40 HB1 LEU 40 -3.003 -7.844 -6.946 323 HG LEU 40 HG LEU 40 -3.206 -6.516 -4.247 324 1HD1 LEU 40 HD11 LEU 40 -5.546 -5.945 -5.150 325 2HD1 LEU 40 HD12 LEU 40 -4.824 -6.170 -6.743 326 3HD1 LEU 40 HD13 LEU 40 -4.184 -4.942 -5.651 327 1HD2 LEU 40 HD21 LEU 40 -5.298 -8.309 -5.300 328 2HD2 LEU 40 HD22 LEU 40 -4.659 -8.143 -3.665 329 3HD2 LEU 40 HD23 LEU 40 -3.766 -9.069 -4.871 330 H HIS 41 HN HIS 41 0.345 -7.077 -7.118 331 HA HIS 41 HA HIS 41 0.338 -9.032 -9.171 332 1HB HIS 41 HB2 HIS 41 1.026 -6.600 -9.390 333 2HB HIS 41 HB1 HIS 41 2.544 -7.047 -8.618 334 HD1 HIS 41 HD1 HIS 41 1.334 -6.421 -11.820 335 HD2 HIS 41 HD2 HIS 41 3.627 -9.487 -10.210 336 HE1 HIS 41 HE1 HIS 41 2.528 -7.464 -13.770 337 HE2 HIS 41 HE2 HIS 41 3.839 -9.375 -12.780 338 H ALA 42 HN ALA 42 2.287 -8.544 -6.298 339 HA ALA 42 HA ALA 42 4.371 -10.330 -6.927 340 1HB ALA 42 HB1 ALA 42 3.325 -9.519 -4.218 341 2HB ALA 42 HB2 ALA 42 4.562 -8.676 -5.151 342 3HB ALA 42 HB3 ALA 42 4.875 -10.290 -4.536 343 H ILE 43 HN ILE 43 1.256 -10.780 -5.321 344 HA ILE 43 HA ILE 43 1.726 -13.510 -4.622 345 HB ILE 43 HB ILE 43 -0.942 -12.120 -4.889 346 1HG1 ILE 43 HG12 ILE 43 0.292 -12.430 -2.223 347 2HG1 ILE 43 HG11 ILE 43 1.068 -11.250 -3.277 348 1HG2 ILE 43 HG21 ILE 43 -1.638 -13.790 -3.191 349 2HG2 ILE 43 HG22 ILE 43 -0.056 -14.550 -3.346 350 3HG2 ILE 43 HG23 ILE 43 -1.155 -14.510 -4.725 351 1HD1 ILE 43 HD11 ILE 43 -1.353 -11.030 -1.769 352 2HD1 ILE 43 HD12 ILE 43 -1.678 -10.770 -3.483 353 3HD1 ILE 43 HD13 ILE 43 -0.465 -9.794 -2.655 354 H LYS 44 HN LYS 44 -0.108 -11.900 -7.209 355 HA LYS 44 HA LYS 44 -1.139 -14.200 -8.418 356 1HB LYS 44 HB2 LYS 44 -1.579 -11.650 -8.848 357 2HB LYS 44 HB1 LYS 44 -0.338 -11.850 -10.070 358 1HG LYS 44 HG2 LYS 44 -2.376 -13.920 -10.160 359 2HG LYS 44 HG1 LYS 44 -3.022 -12.300 -10.400 360 1HD LYS 44 HD2 LYS 44 -2.195 -12.210 -12.470 361 2HD LYS 44 HD1 LYS 44 -0.583 -12.640 -11.890 362 1HE LYS 44 HE2 LYS 44 -2.444 -14.890 -11.930 363 2HE LYS 44 HE1 LYS 44 -2.182 -14.180 -13.520 364 1HZ LYS 44 HZ1 LYS 44 -0.529 -15.780 -13.310 365 2HZ LYS 44 HZ2 LYS 44 -0.195 -15.390 -11.700 366 3HZ LYS 44 HZ3 LYS 44 0.277 -14.340 -12.940 367 H TYR 45 HN TYR 45 1.887 -12.450 -9.029 368 HA TYR 45 HA TYR 45 2.714 -14.340 -11.040 369 1HB TYR 45 HB2 TYR 45 3.841 -11.840 -9.867 370 2HB TYR 45 HB1 TYR 45 4.947 -12.960 -10.660 371 HD1 TYR 45 HD1 TYR 45 1.588 -11.440 -11.310 372 HD2 TYR 45 HD2 TYR 45 5.389 -12.530 -12.880 373 HE1 TYR 45 HE1 TYR 45 0.954 -10.490 -13.490 374 HE2 TYR 45 HE2 TYR 45 4.766 -11.590 -15.060 375 HH TYR 45 HH TYR 45 2.569 -11.130 -16.310 376 H GLU 46 HN GLU 46 4.224 -13.290 -7.986 377 HA GLU 46 HA GLU 46 5.519 -15.910 -7.797 378 1HB GLU 46 HB2 GLU 46 6.049 -13.230 -6.542 379 2HB GLU 46 HB1 GLU 46 6.729 -14.700 -5.844 380 1HG GLU 46 HG2 GLU 46 7.298 -14.840 -8.574 381 2HG GLU 46 HG1 GLU 46 7.606 -13.170 -8.113 382 H ALA 47 HN ALA 47 3.906 -17.230 -7.013 383 HA ALA 47 HA ALA 47 2.421 -16.450 -4.643 384 1HB ALA 47 HB1 ALA 47 2.325 -18.900 -6.389 385 2HB ALA 47 HB2 ALA 47 1.148 -17.590 -6.294 386 3HB ALA 47 HB3 ALA 47 1.345 -18.700 -4.937 387 H HIS 48 HN HIS 48 3.481 -16.580 -2.770 388 HA HIS 48 HA HIS 48 5.512 -18.590 -2.321 389 1HB HIS 48 HB2 HIS 48 4.443 -16.290 -0.692 390 2HB HIS 48 HB1 HIS 48 5.556 -17.460 -0.003 391 HD1 HIS 48 HD1 HIS 48 7.651 -17.800 -2.082 392 HD2 HIS 48 HD2 HIS 48 5.921 -14.110 -1.278 393 HE1 HIS 48 HE1 HIS 48 9.304 -16.090 -2.899 394 HE2 HIS 48 HE2 HIS 48 8.268 -13.870 -2.336 395 H SER 49 HN SER 49 5.318 -19.380 0.213 396 HA SER 49 HA SER 49 3.374 -21.410 0.149 397 1HB SER 49 HB2 SER 49 5.021 -20.350 2.457 398 2HB SER 49 HB1 SER 49 4.055 -21.820 2.517 399 HG SER 49 HG SER 49 6.055 -22.490 1.952 400 H ASP 50 HN ASP 50 1.886 -21.750 2.144 401 HA ASP 50 HA ASP 50 -0.209 -19.920 2.003 402 1HB ASP 50 HB2 ASP 50 0.071 -22.420 3.025 403 2HB ASP 50 HB1 ASP 50 -0.014 -21.480 4.510 404 H LYS 51 HN LYS 51 2.367 -20.240 4.408 405 HA LYS 51 HA LYS 51 1.439 -18.340 6.238 406 1HB LYS 51 HB2 LYS 51 3.844 -19.850 5.797 407 2HB LYS 51 HB1 LYS 51 4.261 -18.200 6.225 408 1HG LYS 51 HG2 LYS 51 2.617 -18.490 8.166 409 2HG LYS 51 HG1 LYS 51 2.716 -20.220 7.813 410 1HD LYS 51 HD2 LYS 51 5.363 -19.300 7.848 411 2HD LYS 51 HD1 LYS 51 4.577 -18.520 9.220 412 1HE LYS 51 HE2 LYS 51 3.857 -20.650 10.085 413 2HE LYS 51 HE1 LYS 51 4.456 -21.480 8.649 414 1HZ LYS 51 HZ1 LYS 51 6.699 -20.860 9.251 415 2HZ LYS 51 HZ2 LYS 51 5.973 -21.690 10.528 416 3HZ LYS 51 HZ3 LYS 51 6.140 -20.010 10.605 417 H ALA 52 HN ALA 52 3.689 -17.960 3.508 418 HA ALA 52 HA ALA 52 3.950 -15.130 3.874 419 1HB ALA 52 HB1 ALA 52 5.798 -15.980 2.821 420 2HB ALA 52 HB2 ALA 52 4.888 -15.390 1.432 421 3HB ALA 52 HB3 ALA 52 4.860 -17.110 1.839 422 H LYS 53 HN LYS 53 1.920 -17.210 1.901 423 HA LYS 53 HA LYS 53 0.890 -15.140 0.245 424 1HB LYS 53 HB2 LYS 53 0.890 -17.720 -0.116 425 2HB LYS 53 HB1 LYS 53 -0.601 -17.670 0.817 426 1HG LYS 53 HG2 LYS 53 -1.394 -15.920 -0.854 427 2HG LYS 53 HG1 LYS 53 -0.027 -16.430 -1.848 428 1HD LYS 53 HD2 LYS 53 -1.544 -17.880 -2.678 429 2HD LYS 53 HD1 LYS 53 -1.082 -18.830 -1.260 430 1HE LYS 53 HE2 LYS 53 -2.992 -18.160 -0.064 431 2HE LYS 53 HE1 LYS 53 -3.331 -16.840 -1.176 432 1HZ LYS 53 HZ1 LYS 53 -3.774 -18.540 -2.901 433 2HZ LYS 53 HZ2 LYS 53 -4.859 -18.590 -1.606 434 3HZ LYS 53 HZ3 LYS 53 -3.622 -19.740 -1.717 435 H GLU 54 HN GLU 54 -0.079 -16.560 3.303 436 HA GLU 54 HA GLU 54 -2.633 -15.280 3.400 437 1HB GLU 54 HB2 GLU 54 -1.877 -17.390 4.658 438 2HB GLU 54 HB1 GLU 54 -1.099 -16.290 5.788 439 1HG GLU 54 HG2 GLU 54 -3.133 -15.390 6.500 440 2HG GLU 54 HG1 GLU 54 -4.003 -16.030 5.105 441 H SER 55 HN SER 55 0.587 -14.530 4.608 442 HA SER 55 HA SER 55 -0.112 -12.380 6.281 443 1HB SER 55 HB2 SER 55 2.204 -13.700 5.753 444 2HB SER 55 HB1 SER 55 2.481 -12.200 4.869 445 HG SER 55 HG SER 55 1.782 -11.150 6.918 446 H ILE 56 HN ILE 56 0.803 -12.490 2.856 447 HA ILE 56 HA ILE 56 0.685 -9.672 2.481 448 HB ILE 56 HB ILE 56 0.413 -11.800 0.361 449 1HG1 ILE 56 HG12 ILE 56 3.001 -10.450 1.036 450 2HG1 ILE 56 HG11 ILE 56 2.474 -11.830 1.995 451 1HG2 ILE 56 HG21 ILE 56 1.115 -8.886 0.301 452 2HG2 ILE 56 HG22 ILE 56 -0.162 -9.730 -0.577 453 3HG2 ILE 56 HG23 ILE 56 1.527 -9.980 -1.019 454 1HD1 ILE 56 HD11 ILE 56 3.530 -13.060 0.472 455 2HD1 ILE 56 HD12 ILE 56 3.589 -11.730 -0.688 456 3HD1 ILE 56 HD13 ILE 56 2.142 -12.730 -0.565 457 H ARG 57 HN ARG 57 -1.600 -12.310 1.973 458 HA ARG 57 HA ARG 57 -3.591 -10.890 0.623 459 1HB ARG 57 HB2 ARG 57 -3.308 -13.460 1.282 460 2HB ARG 57 HB1 ARG 57 -4.407 -12.990 2.569 461 1HG ARG 57 HG2 ARG 57 -6.022 -13.450 1.105 462 2HG ARG 57 HG1 ARG 57 -5.606 -11.890 0.375 463 1HD ARG 57 HD2 ARG 57 -3.923 -13.160 -1.029 464 2HD ARG 57 HD1 ARG 57 -4.682 -14.640 -0.444 465 HE ARG 57 HE ARG 57 -6.532 -12.760 -1.594 466 1HH1 ARG 57 HH11 ARG 57 -4.331 -15.390 -2.262 467 2HH1 ARG 57 HH12 ARG 57 -5.125 -15.850 -3.730 468 1HH2 ARG 57 HH21 ARG 57 -7.579 -13.370 -3.525 469 2HH2 ARG 57 HH22 ARG 57 -6.969 -14.700 -4.447 470 H ALA 58 HN ALA 58 -3.094 -11.400 4.098 471 HA ALA 58 HA ALA 58 -5.418 -9.965 4.891 472 1HB ALA 58 HB1 ALA 58 -2.952 -10.700 6.464 473 2HB ALA 58 HB2 ALA 58 -4.440 -11.640 6.342 474 3HB ALA 58 HB3 ALA 58 -4.452 -10.070 7.149 475 H LYS 59 HN LYS 59 -2.115 -9.082 4.196 476 HA LYS 59 HA LYS 59 -2.145 -6.544 5.467 477 1HB LYS 59 HB2 LYS 59 -0.299 -8.115 3.957 478 2HB LYS 59 HB1 LYS 59 -0.353 -6.502 3.259 479 1HG LYS 59 HG2 LYS 59 1.038 -5.836 4.844 480 2HG LYS 59 HG1 LYS 59 -0.246 -6.109 6.023 481 1HD LYS 59 HD2 LYS 59 0.800 -7.890 6.874 482 2HD LYS 59 HD1 LYS 59 1.078 -8.580 5.275 483 1HE LYS 59 HE2 LYS 59 2.735 -6.253 6.074 484 2HE LYS 59 HE1 LYS 59 3.068 -7.796 6.859 485 1HZ LYS 59 HZ1 LYS 59 3.879 -8.680 4.971 486 2HZ LYS 59 HZ2 LYS 59 4.142 -7.066 4.541 487 3HZ LYS 59 HZ3 LYS 59 2.774 -7.880 3.970 488 H CYS 60 HN CYS 60 -2.923 -7.646 2.209 489 HA CYS 60 HA CYS 60 -3.212 -5.095 1.039 490 1HB CYS 60 HB2 CYS 60 -4.374 -7.784 0.309 491 2HB CYS 60 HB1 CYS 60 -4.594 -6.341 -0.675 492 HG CYS 60 HG CYS 60 -1.674 -7.122 -0.154 493 H VAL 61 HN VAL 61 -5.387 -7.126 2.887 494 HA VAL 61 HA VAL 61 -7.793 -5.789 2.265 495 HB VAL 61 HB VAL 61 -7.170 -7.208 4.854 496 1HG1 VAL 61 HG11 VAL 61 -9.700 -6.468 3.420 497 2HG1 VAL 61 HG12 VAL 61 -9.228 -6.119 5.083 498 3HG1 VAL 61 HG13 VAL 61 -9.656 -7.764 4.614 499 1HG2 VAL 61 HG21 VAL 61 -8.484 -9.039 3.339 500 2HG2 VAL 61 HG22 VAL 61 -6.732 -8.976 3.536 501 3HG2 VAL 61 HG23 VAL 61 -7.488 -8.238 2.123 502 H GLN 62 HN GLN 62 -5.419 -5.330 4.855 503 HA GLN 62 HA GLN 62 -6.906 -3.245 6.134 504 1HB GLN 62 HB2 GLN 62 -4.916 -4.859 6.965 505 2HB GLN 62 HB1 GLN 62 -3.980 -3.425 6.568 506 1HG GLN 62 HG2 GLN 62 -4.454 -2.799 8.656 507 2HG GLN 62 HG1 GLN 62 -6.022 -2.345 7.991 508 1HE2 GLN 62 HE21 GLN 62 -7.440 -2.824 9.524 509 2HE2 GLN 62 HE22 GLN 62 -7.588 -4.355 10.313 510 H TYR 63 HN TYR 63 -4.444 -3.398 3.662 511 HA TYR 63 HA TYR 63 -3.725 -0.645 3.739 512 1HB TYR 63 HB2 TYR 63 -3.350 -2.839 1.712 513 2HB TYR 63 HB1 TYR 63 -2.854 -1.183 1.374 514 HD1 TYR 63 HD1 TYR 63 -1.764 -0.321 3.956 515 HD2 TYR 63 HD2 TYR 63 -1.380 -4.049 1.944 516 HE1 TYR 63 HE1 TYR 63 0.366 -0.721 5.117 517 HE2 TYR 63 HE2 TYR 63 0.751 -4.460 3.099 518 HH TYR 63 HH TYR 63 2.557 -2.265 4.464 519 H LEU 64 HN LEU 64 -6.136 -2.508 1.984 520 HA LEU 64 HA LEU 64 -6.884 -0.385 0.225 521 1HB LEU 64 HB2 LEU 64 -8.068 -3.040 0.952 522 2HB LEU 64 HB1 LEU 64 -8.989 -1.898 -0.009 523 HG LEU 64 HG LEU 64 -6.235 -2.521 -0.930 524 1HD1 LEU 64 HD11 LEU 64 -8.512 -4.420 -1.438 525 2HD1 LEU 64 HD12 LEU 64 -7.253 -4.708 -0.236 526 3HD1 LEU 64 HD13 LEU 64 -6.830 -4.581 -1.944 527 1HD2 LEU 64 HD21 LEU 64 -8.887 -2.118 -2.307 528 2HD2 LEU 64 HD22 LEU 64 -7.340 -2.363 -3.119 529 3HD2 LEU 64 HD23 LEU 64 -7.602 -0.922 -2.135 530 H ASP 65 HN ASP 65 -7.848 -1.406 3.416 531 HA ASP 65 HA ASP 65 -10.270 0.107 3.497 532 1HB ASP 65 HB2 ASP 65 -9.301 -1.908 5.011 533 2HB ASP 65 HB1 ASP 65 -8.898 -0.537 6.041 534 H ARG 66 HN ARG 66 -6.921 0.741 4.246 535 HA ARG 66 HA ARG 66 -7.441 3.177 5.678 536 1HB ARG 66 HB2 ARG 66 -5.353 1.544 5.722 537 2HB ARG 66 HB1 ARG 66 -4.782 2.614 4.449 538 1HG ARG 66 HG2 ARG 66 -3.949 3.833 6.119 539 2HG ARG 66 HG1 ARG 66 -5.606 4.398 6.334 540 1HD ARG 66 HD2 ARG 66 -5.045 1.857 7.666 541 2HD ARG 66 HD1 ARG 66 -4.064 3.196 8.257 542 HE ARG 66 HE ARG 66 -5.950 4.157 9.157 543 1HH1 ARG 66 HH11 ARG 66 -6.879 1.522 7.062 544 2HH1 ARG 66 HH12 ARG 66 -8.530 1.525 7.584 545 1HH2 ARG 66 HH21 ARG 66 -8.120 4.159 9.845 546 2HH2 ARG 66 HH22 ARG 66 -9.234 3.022 9.163 547 H ALA 67 HN ALA 67 -6.740 2.278 2.371 548 HA ALA 67 HA ALA 67 -6.071 4.852 1.411 549 1HB ALA 67 HB1 ALA 67 -7.151 2.426 -0.013 550 2HB ALA 67 HB2 ALA 67 -5.465 2.922 0.131 551 3HB ALA 67 HB3 ALA 67 -6.589 3.886 -0.827 552 H GLU 68 HN GLU 68 -9.111 3.241 1.994 553 HA GLU 68 HA GLU 68 -10.690 5.094 0.474 554 1HB GLU 68 HB2 GLU 68 -11.230 2.798 2.291 555 2HB GLU 68 HB1 GLU 68 -12.520 3.965 2.041 556 1HG GLU 68 HG2 GLU 68 -11.410 3.309 -0.489 557 2HG GLU 68 HG1 GLU 68 -11.740 1.813 0.383 558 H LYS 69 HN LYS 69 -9.614 4.819 3.792 559 HA LYS 69 HA LYS 69 -11.390 6.789 4.843 560 1HB LYS 69 HB2 LYS 69 -10.000 4.910 6.049 561 2HB LYS 69 HB1 LYS 69 -8.767 6.161 6.130 562 1HG LYS 69 HG2 LYS 69 -11.450 6.989 6.999 563 2HG LYS 69 HG1 LYS 69 -10.660 5.769 8.005 564 1HD LYS 69 HD2 LYS 69 -8.628 7.290 7.994 565 2HD LYS 69 HD1 LYS 69 -9.686 8.529 7.317 566 1HE LYS 69 HE2 LYS 69 -11.060 8.536 9.245 567 2HE LYS 69 HE1 LYS 69 -10.310 7.063 9.867 568 1HZ LYS 69 HZ1 LYS 69 -8.183 8.497 9.847 569 2HZ LYS 69 HZ2 LYS 69 -9.298 8.691 11.103 570 3HZ LYS 69 HZ3 LYS 69 -9.256 9.806 9.833 571 H LEU 70 HN LEU 70 -8.243 6.852 3.348 572 HA LEU 70 HA LEU 70 -7.512 9.468 4.189 573 1HB LEU 70 HB2 LEU 70 -6.589 7.845 1.817 574 2HB LEU 70 HB1 LEU 70 -5.836 9.329 2.369 575 HG LEU 70 HG LEU 70 -6.091 7.004 4.240 576 1HD1 LEU 70 HD11 LEU 70 -4.392 5.826 3.341 577 2HD1 LEU 70 HD12 LEU 70 -3.571 7.263 2.732 578 3HD1 LEU 70 HD13 LEU 70 -4.938 6.587 1.847 579 1HD2 LEU 70 HD21 LEU 70 -4.037 9.195 3.955 580 2HD2 LEU 70 HD22 LEU 70 -4.122 7.994 5.244 581 3HD2 LEU 70 HD23 LEU 70 -5.390 9.208 5.086 582 H LYS 71 HN LYS 71 -9.270 8.184 1.428 583 HA LYS 71 HA LYS 71 -9.333 10.645 -0.020 584 1HB LYS 71 HB2 LYS 71 -9.798 8.094 -0.723 585 2HB LYS 71 HB1 LYS 71 -11.450 8.624 -0.472 586 1HG LYS 71 HG2 LYS 71 -11.210 10.358 -2.106 587 2HG LYS 71 HG1 LYS 71 -9.488 10.027 -2.265 588 1HD LYS 71 HD2 LYS 71 -10.320 7.617 -2.874 589 2HD LYS 71 HD1 LYS 71 -11.820 8.462 -3.262 590 1HE LYS 71 HE2 LYS 71 -9.991 10.050 -4.482 591 2HE LYS 71 HE1 LYS 71 -9.237 8.465 -4.649 592 1HZ LYS 71 HZ1 LYS 71 -11.990 9.168 -5.506 593 2HZ LYS 71 HZ2 LYS 71 -11.270 7.646 -5.665 594 3HZ LYS 71 HZ3 LYS 71 -10.660 8.965 -6.530 595 H ASP 72 HN ASP 72 -11.680 8.927 2.020 596 HA ASP 72 HA ASP 72 -13.790 10.728 1.763 597 1HB ASP 72 HB2 ASP 72 -13.020 8.617 3.697 598 2HB ASP 72 HB1 ASP 72 -14.200 9.803 4.264 599 H TYR 73 HN TYR 73 -10.890 10.880 3.685 600 HA TYR 73 HA TYR 73 -11.810 12.972 5.415 601 1HB TYR 73 HB2 TYR 73 -10.050 11.414 6.119 602 2HB TYR 73 HB1 TYR 73 -9.009 12.014 4.837 603 HD1 TYR 73 HD1 TYR 73 -8.170 14.369 4.943 604 HD2 TYR 73 HD2 TYR 73 -10.240 12.561 8.185 605 HE1 TYR 73 HE1 TYR 73 -7.306 16.103 6.456 606 HE2 TYR 73 HE2 TYR 73 -9.391 14.292 9.707 607 HH TYR 73 HH TYR 73 -7.518 15.864 9.840 608 H LEU 74 HN LEU 74 -9.584 12.844 2.646 609 HA LEU 74 HA LEU 74 -9.155 15.653 2.583 610 1HB LEU 74 HB2 LEU 74 -8.121 15.235 0.391 611 2HB LEU 74 HB1 LEU 74 -7.521 14.154 1.634 612 HG LEU 74 HG LEU 74 -9.316 12.505 0.700 613 1HD1 LEU 74 HD11 LEU 74 -10.500 13.259 -1.018 614 2HD1 LEU 74 HD12 LEU 74 -9.020 13.238 -1.975 615 3HD1 LEU 74 HD13 LEU 74 -9.509 14.712 -1.140 616 1HD2 LEU 74 HD21 LEU 74 -7.612 11.881 -1.142 617 2HD2 LEU 74 HD22 LEU 74 -7.098 11.843 0.545 618 3HD2 LEU 74 HD23 LEU 74 -6.658 13.208 -0.481 619 H ARG 75 HN ARG 75 -11.390 13.482 0.950 620 HA ARG 75 HA ARG 75 -12.400 15.450 -0.849 621 1HB ARG 75 HB2 ARG 75 -12.530 12.799 -0.875 622 2HB ARG 75 HB1 ARG 75 -14.060 13.100 -0.046 623 1HG ARG 75 HG2 ARG 75 -14.680 14.621 -1.940 624 2HG ARG 75 HG1 ARG 75 -13.240 14.040 -2.783 625 1HD ARG 75 HD2 ARG 75 -14.350 11.692 -2.095 626 2HD ARG 75 HD1 ARG 75 -15.800 12.679 -2.229 627 HE ARG 75 HE ARG 75 -14.020 12.931 -4.470 628 1HH1 ARG 75 HH11 ARG 75 -16.650 11.091 -3.097 629 2HH1 ARG 75 HH12 ARG 75 -17.200 10.499 -4.628 630 1HH2 ARG 75 HH21 ARG 75 -14.740 12.155 -6.485 631 2HH2 ARG 75 HH22 ARG 75 -16.120 11.103 -6.552 632 H SER 76 HN SER 76 -13.190 14.429 2.395 633 HA SER 76 HA SER 76 -15.760 15.640 2.539 634 1HB SER 76 HB2 SER 76 -13.800 14.546 4.516 635 2HB SER 76 HB1 SER 76 -15.100 15.577 5.109 636 HG SER 76 HG SER 76 -16.560 14.138 3.995 637 H LYS 77 HN LYS 77 -12.550 16.690 3.682 638 HA LYS 77 HA LYS 77 -13.480 19.251 4.531 639 1HB LYS 77 HB2 LYS 77 -11.070 19.785 4.773 640 2HB LYS 77 HB1 LYS 77 -11.520 18.284 5.570 641 1HG LYS 77 HG2 LYS 77 -10.120 17.085 4.326 642 2HG LYS 77 HG1 LYS 77 -10.650 17.866 2.833 643 1HD LYS 77 HD2 LYS 77 -9.043 19.501 2.963 644 2HD LYS 77 HD1 LYS 77 -8.933 19.402 4.721 645 1HE LYS 77 HE2 LYS 77 -8.077 16.933 4.029 646 2HE LYS 77 HE1 LYS 77 -7.523 17.866 2.640 647 1HZ LYS 77 HZ1 LYS 77 -6.578 19.449 4.393 648 2HZ LYS 77 HZ2 LYS 77 -5.770 17.987 4.129 649 3HZ LYS 77 HZ3 LYS 77 -6.775 18.166 5.479 Start of MODEL 7 1 1H MET 1 HT1 MET 1 21.531 -7.581 -1.658 2 2H MET 1 HT2 MET 1 20.628 -8.210 -2.977 3 3H MET 1 HT3 MET 1 19.916 -7.068 -1.911 4 HA MET 1 HA MET 1 21.580 -5.453 -2.596 5 1HB MET 1 HB2 MET 1 22.918 -7.625 -3.509 6 2HB MET 1 HB1 MET 1 22.173 -7.073 -5.002 7 1HG MET 1 HG2 MET 1 23.145 -4.744 -4.075 8 2HG MET 1 HG1 MET 1 24.321 -5.868 -3.395 9 1HE MET 1 HE1 MET 1 26.689 -5.267 -6.214 10 2HE MET 1 HE2 MET 1 26.479 -5.912 -4.587 11 3HE MET 1 HE3 MET 1 26.003 -4.253 -4.945 12 H THR 2 HN THR 2 20.133 -7.597 -5.057 13 HA THR 2 HA THR 2 19.008 -5.470 -6.545 14 HB THR 2 HB THR 2 17.764 -7.250 -7.732 15 HG1 THR 2 HG1 THR 2 18.972 -9.021 -5.881 16 1HG2 THR 2 HG21 THR 2 19.645 -8.564 -8.542 17 2HG2 THR 2 HG22 THR 2 20.629 -7.992 -7.195 18 3HG2 THR 2 HG23 THR 2 20.060 -6.855 -8.416 19 H THR 3 HN THR 3 16.719 -5.067 -6.898 20 HA THR 3 HA THR 3 15.246 -5.165 -4.374 21 HB THR 3 HB THR 3 13.763 -3.480 -5.460 22 HG1 THR 3 HG1 THR 3 15.684 -3.495 -7.540 23 1HG2 THR 3 HG21 THR 3 15.359 -1.626 -5.554 24 2HG2 THR 3 HG22 THR 3 16.689 -2.785 -5.513 25 3HG2 THR 3 HG23 THR 3 15.598 -2.645 -4.134 26 H SER 4 HN SER 4 13.003 -5.742 -4.325 27 HA SER 4 HA SER 4 12.138 -7.456 -6.554 28 1HB SER 4 HB2 SER 4 12.956 -8.418 -4.085 29 2HB SER 4 HB1 SER 4 11.198 -8.379 -3.947 30 HG SER 4 HG SER 4 11.920 -10.340 -4.831 31 H THR 5 HN THR 5 9.696 -8.182 -5.863 32 HA THR 5 HA THR 5 8.189 -5.772 -6.092 33 HB THR 5 HB THR 5 6.992 -8.463 -5.492 34 HG1 THR 5 HG1 THR 5 7.933 -7.593 -8.019 35 1HG2 THR 5 HG21 THR 5 5.324 -6.830 -5.720 36 2HG2 THR 5 HG22 THR 5 5.375 -7.680 -7.264 37 3HG2 THR 5 HG23 THR 5 6.124 -6.091 -7.107 38 H LEU 6 HN LEU 6 8.961 -7.965 -3.485 39 HA LEU 6 HA LEU 6 6.981 -7.036 -1.665 40 1HB LEU 6 HB2 LEU 6 9.388 -8.758 -1.532 41 2HB LEU 6 HB1 LEU 6 8.875 -8.020 -0.026 42 HG LEU 6 HG LEU 6 7.962 -10.280 -0.312 43 1HD1 LEU 6 HD11 LEU 6 6.751 -8.451 0.926 44 2HD1 LEU 6 HD12 LEU 6 5.751 -9.793 0.367 45 3HD1 LEU 6 HD13 LEU 6 5.745 -8.263 -0.510 46 1HD2 LEU 6 HD21 LEU 6 7.817 -10.220 -2.780 47 2HD2 LEU 6 HD22 LEU 6 6.443 -9.127 -2.644 48 3HD2 LEU 6 HD23 LEU 6 6.326 -10.760 -2.014 49 H GLN 7 HN GLN 7 10.402 -6.251 -2.166 50 HA GLN 7 HA GLN 7 10.644 -4.450 -0.013 51 1HB GLN 7 HB2 GLN 7 12.417 -5.551 -1.679 52 2HB GLN 7 HB1 GLN 7 12.245 -3.993 -2.478 53 1HG GLN 7 HG2 GLN 7 12.813 -4.183 0.455 54 2HG GLN 7 HG1 GLN 7 14.103 -4.277 -0.742 55 1HE2 GLN 7 HE21 GLN 7 12.254 -2.247 1.150 56 2HE2 GLN 7 HE22 GLN 7 12.631 -0.747 0.380 57 H LYS 8 HN LYS 8 9.628 -4.028 -3.357 58 HA LYS 8 HA LYS 8 9.605 -1.205 -3.369 59 1HB LYS 8 HB2 LYS 8 8.233 -3.303 -5.025 60 2HB LYS 8 HB1 LYS 8 7.879 -1.597 -5.262 61 1HG LYS 8 HG2 LYS 8 10.476 -1.383 -5.441 62 2HG LYS 8 HG1 LYS 8 10.386 -3.107 -5.809 63 1HD LYS 8 HD2 LYS 8 9.441 -2.759 -7.829 64 2HD LYS 8 HD1 LYS 8 8.464 -1.407 -7.252 65 1HE LYS 8 HE2 LYS 8 10.431 0.043 -7.312 66 2HE LYS 8 HE1 LYS 8 11.414 -1.309 -7.875 67 1HZ LYS 8 HZ1 LYS 8 9.357 0.217 -9.315 68 2HZ LYS 8 HZ2 LYS 8 9.647 -1.389 -9.755 69 3HZ LYS 8 HZ3 LYS 8 10.899 -0.254 -9.828 70 H ALA 9 HN ALA 9 7.107 -3.604 -2.625 71 HA ALA 9 HA ALA 9 4.963 -1.829 -2.295 72 1HB ALA 9 HB1 ALA 9 5.259 -4.352 -0.697 73 2HB ALA 9 HB2 ALA 9 4.937 -4.386 -2.431 74 3HB ALA 9 HB3 ALA 9 3.791 -3.611 -1.336 75 H ILE 10 HN ILE 10 7.444 -2.931 -0.038 76 HA ILE 10 HA ILE 10 6.305 -1.762 2.280 77 HB ILE 10 HB ILE 10 9.225 -2.349 1.794 78 1HG1 ILE 10 HG12 ILE 10 7.428 -4.245 3.235 79 2HG1 ILE 10 HG11 ILE 10 7.360 -4.220 1.476 80 1HG2 ILE 10 HG21 ILE 10 8.924 -1.014 3.749 81 2HG2 ILE 10 HG22 ILE 10 9.229 -2.671 4.272 82 3HG2 ILE 10 HG23 ILE 10 7.588 -2.025 4.301 83 1HD1 ILE 10 HD11 ILE 10 10.071 -4.294 2.083 84 2HD1 ILE 10 HD12 ILE 10 9.071 -5.621 1.489 85 3HD1 ILE 10 HD13 ILE 10 9.311 -5.405 3.223 86 H ASP 11 HN ASP 11 8.340 -0.542 -0.275 87 HA ASP 11 HA ASP 11 9.221 1.799 1.087 88 1HB ASP 11 HB2 ASP 11 10.081 0.598 -1.127 89 2HB ASP 11 HB1 ASP 11 9.003 1.765 -1.886 90 H LEU 12 HN LEU 12 6.464 1.019 -0.944 91 HA LEU 12 HA LEU 12 5.568 3.684 -1.320 92 1HB LEU 12 HB2 LEU 12 4.418 0.968 -1.704 93 2HB LEU 12 HB1 LEU 12 3.304 2.321 -1.647 94 HG LEU 12 HG LEU 12 3.936 1.717 -3.948 95 1HD1 LEU 12 HD11 LEU 12 5.135 4.392 -3.309 96 2HD1 LEU 12 HD12 LEU 12 3.403 4.090 -3.165 97 3HD1 LEU 12 HD13 LEU 12 4.204 3.905 -4.726 98 1HD2 LEU 12 HD21 LEU 12 6.698 2.376 -2.957 99 2HD2 LEU 12 HD22 LEU 12 6.272 2.370 -4.669 100 3HD2 LEU 12 HD23 LEU 12 6.136 0.889 -3.721 101 H VAL 13 HN VAL 13 5.119 1.318 1.205 102 HA VAL 13 HA VAL 13 2.932 2.684 2.468 103 HB VAL 13 HB VAL 13 4.756 0.608 3.684 104 1HG1 VAL 13 HG11 VAL 13 3.390 1.822 5.298 105 2HG1 VAL 13 HG12 VAL 13 2.846 0.151 5.144 106 3HG1 VAL 13 HG13 VAL 13 1.940 1.448 4.366 107 1HG2 VAL 13 HG21 VAL 13 2.101 0.007 2.436 108 2HG2 VAL 13 HG22 VAL 13 3.424 -1.092 2.823 109 3HG2 VAL 13 HG23 VAL 13 3.573 0.024 1.464 110 H THR 14 HN THR 14 6.411 2.754 2.696 111 HA THR 14 HA THR 14 6.584 4.058 5.212 112 HB THR 14 HB THR 14 8.602 4.183 2.969 113 HG1 THR 14 HG1 THR 14 9.346 2.244 3.632 114 1HG2 THR 14 HG21 THR 14 9.421 5.569 4.621 115 2HG2 THR 14 HG22 THR 14 10.160 4.016 5.013 116 3HG2 THR 14 HG23 THR 14 8.758 4.581 5.922 117 H LYS 15 HN LYS 15 6.541 5.221 1.868 118 HA LYS 15 HA LYS 15 6.896 7.964 2.571 119 1HB LYS 15 HB2 LYS 15 6.298 6.442 0.091 120 2HB LYS 15 HB1 LYS 15 5.841 8.140 0.114 121 1HG LYS 15 HG2 LYS 15 7.924 8.531 -0.568 122 2HG LYS 15 HG1 LYS 15 8.392 8.211 1.103 123 1HD LYS 15 HD2 LYS 15 8.234 5.688 0.044 124 2HD LYS 15 HD1 LYS 15 8.848 6.629 -1.317 125 1HE LYS 15 HE2 LYS 15 10.251 7.474 0.987 126 2HE LYS 15 HE1 LYS 15 10.232 5.711 1.008 127 1HZ LYS 15 HZ1 LYS 15 12.144 6.579 -0.194 128 2HZ LYS 15 HZ2 LYS 15 11.126 7.391 -1.272 129 3HZ LYS 15 HZ3 LYS 15 11.132 5.701 -1.227 130 H ALA 16 HN ALA 16 4.151 5.849 2.221 131 HA ALA 16 HA ALA 16 2.176 7.891 2.010 132 1HB ALA 16 HB1 ALA 16 1.603 5.737 1.203 133 2HB ALA 16 HB2 ALA 16 0.600 6.025 2.625 134 3HB ALA 16 HB3 ALA 16 2.013 4.977 2.741 135 H THR 17 HN THR 17 3.429 5.962 4.712 136 HA THR 17 HA THR 17 1.680 6.972 6.673 137 HB THR 17 HB THR 17 2.927 4.943 7.072 138 HG1 THR 17 HG1 THR 17 3.865 6.968 8.821 139 1HG2 THR 17 HG21 THR 17 5.408 6.642 7.010 140 2HG2 THR 17 HG22 THR 17 4.966 5.380 5.859 141 3HG2 THR 17 HG23 THR 17 5.330 4.961 7.533 142 H GLU 18 HN GLU 18 4.908 8.011 5.640 143 HA GLU 18 HA GLU 18 5.182 10.058 7.579 144 1HB GLU 18 HB2 GLU 18 7.050 10.838 6.235 145 2HB GLU 18 HB1 GLU 18 7.095 9.085 6.367 146 1HG GLU 18 HG2 GLU 18 6.091 8.912 4.131 147 2HG GLU 18 HG1 GLU 18 6.122 10.670 4.000 148 H GLU 19 HN GLU 19 3.685 9.915 4.429 149 HA GLU 19 HA GLU 19 3.448 12.748 4.102 150 1HB GLU 19 HB2 GLU 19 2.723 10.348 2.607 151 2HB GLU 19 HB1 GLU 19 1.500 11.606 2.498 152 1HG GLU 19 HG2 GLU 19 2.721 12.454 0.852 153 2HG GLU 19 HG1 GLU 19 3.841 12.989 2.104 154 H ASP 20 HN ASP 20 1.368 10.176 5.323 155 HA ASP 20 HA ASP 20 -1.040 11.535 5.512 156 1HB ASP 20 HB2 ASP 20 -0.069 9.065 6.334 157 2HB ASP 20 HB1 ASP 20 -0.550 9.847 7.837 158 H LYS 21 HN LYS 21 1.591 11.370 7.897 159 HA LYS 21 HA LYS 21 0.286 13.141 9.727 160 1HB LYS 21 HB2 LYS 21 2.397 13.075 10.970 161 2HB LYS 21 HB1 LYS 21 1.868 11.460 10.521 162 1HG LYS 21 HG2 LYS 21 3.441 11.888 8.453 163 2HG LYS 21 HG1 LYS 21 4.198 13.031 9.563 164 1HD LYS 21 HD2 LYS 21 4.017 10.937 11.201 165 2HD LYS 21 HD1 LYS 21 4.077 10.068 9.666 166 1HE LYS 21 HE2 LYS 21 6.240 10.564 9.334 167 2HE LYS 21 HE1 LYS 21 6.046 12.222 9.903 168 1HZ LYS 21 HZ1 LYS 21 6.028 11.321 12.196 169 2HZ LYS 21 HZ2 LYS 21 7.492 11.075 11.386 170 3HZ LYS 21 HZ3 LYS 21 6.404 9.794 11.571 171 H ALA 22 HN ALA 22 2.093 13.606 6.877 172 HA ALA 22 HA ALA 22 2.949 16.293 7.640 173 1HB ALA 22 HB1 ALA 22 3.435 14.814 5.059 174 2HB ALA 22 HB2 ALA 22 4.524 14.809 6.447 175 3HB ALA 22 HB3 ALA 22 4.205 16.313 5.582 176 H LYS 23 HN LYS 23 0.094 15.551 7.236 177 HA LYS 23 HA LYS 23 -1.792 16.403 6.294 178 1HB LYS 23 HB2 LYS 23 -0.438 18.505 7.053 179 2HB LYS 23 HB1 LYS 23 -0.216 18.762 5.328 180 1HG LYS 23 HG2 LYS 23 -2.364 19.364 5.000 181 2HG LYS 23 HG1 LYS 23 -2.979 18.242 6.214 182 1HD LYS 23 HD2 LYS 23 -2.122 19.749 7.982 183 2HD LYS 23 HD1 LYS 23 -1.625 20.888 6.730 184 1HE LYS 23 HE2 LYS 23 -3.731 21.603 6.365 185 2HE LYS 23 HE1 LYS 23 -4.423 19.996 6.575 186 1HZ LYS 23 HZ1 LYS 23 -4.801 21.932 8.312 187 2HZ LYS 23 HZ2 LYS 23 -3.365 21.312 8.955 188 3HZ LYS 23 HZ3 LYS 23 -4.716 20.309 8.783 189 H ASN 24 HN ASN 24 -0.029 14.742 4.645 190 HA ASN 24 HA ASN 24 -0.685 15.789 1.972 191 1HB ASN 24 HB2 ASN 24 1.575 14.155 3.013 192 2HB ASN 24 HB1 ASN 24 1.014 13.811 1.380 193 1HD2 ASN 24 HD21 ASN 24 2.666 14.611 0.222 194 2HD2 ASN 24 HD22 ASN 24 3.162 16.265 0.237 195 H TYR 25 HN TYR 25 -2.761 14.690 3.350 196 HA TYR 25 HA TYR 25 -3.207 11.971 3.210 197 1HB TYR 25 HB2 TYR 25 -5.212 14.182 2.716 198 2HB TYR 25 HB1 TYR 25 -5.611 12.514 3.113 199 HD1 TYR 25 HD1 TYR 25 -5.395 11.688 5.368 200 HD2 TYR 25 HD2 TYR 25 -4.244 15.669 4.407 201 HE1 TYR 25 HE1 TYR 25 -5.305 12.233 7.764 202 HE2 TYR 25 HE2 TYR 25 -4.151 16.227 6.801 203 HH TYR 25 HH TYR 25 -4.001 14.031 9.194 204 H GLU 26 HN GLU 26 -3.689 14.403 0.676 205 HA GLU 26 HA GLU 26 -4.852 12.741 -1.247 206 1HB GLU 26 HB2 GLU 26 -4.007 14.411 -2.898 207 2HB GLU 26 HB1 GLU 26 -4.874 15.124 -1.546 208 1HG GLU 26 HG2 GLU 26 -3.123 16.531 -1.545 209 2HG GLU 26 HG1 GLU 26 -2.385 15.253 -0.579 210 H GLU 27 HN GLU 27 -1.440 13.505 -0.643 211 HA GLU 27 HA GLU 27 -0.436 11.926 -2.779 212 1HB GLU 27 HB2 GLU 27 0.742 13.818 -1.512 213 2HB GLU 27 HB1 GLU 27 1.089 12.617 -0.275 214 1HG GLU 27 HG2 GLU 27 2.832 11.887 -1.415 215 2HG GLU 27 HG1 GLU 27 1.819 11.564 -2.822 216 H ALA 28 HN ALA 28 -1.025 11.313 0.646 217 HA ALA 28 HA ALA 28 0.239 8.823 0.845 218 1HB ALA 28 HB1 ALA 28 -0.330 9.746 2.885 219 2HB ALA 28 HB2 ALA 28 -1.542 8.477 2.705 220 3HB ALA 28 HB3 ALA 28 -1.965 10.155 2.364 221 H LEU 29 HN LEU 29 -2.908 9.733 -0.392 222 HA LEU 29 HA LEU 29 -4.067 7.159 -0.444 223 1HB LEU 29 HB2 LEU 29 -5.312 9.301 -0.682 224 2HB LEU 29 HB1 LEU 29 -4.625 9.485 -2.284 225 HG LEU 29 HG LEU 29 -5.721 7.192 -2.781 226 1HD1 LEU 29 HD11 LEU 29 -6.253 6.810 -0.348 227 2HD1 LEU 29 HD12 LEU 29 -7.592 6.575 -1.472 228 3HD1 LEU 29 HD13 LEU 29 -7.496 8.050 -0.510 229 1HD2 LEU 29 HD21 LEU 29 -7.603 8.266 -3.647 230 2HD2 LEU 29 HD22 LEU 29 -6.386 9.539 -3.566 231 3HD2 LEU 29 HD23 LEU 29 -7.647 9.447 -2.338 232 H ARG 30 HN ARG 30 -2.109 8.947 -2.775 233 HA ARG 30 HA ARG 30 -2.349 6.995 -4.847 234 1HB ARG 30 HB2 ARG 30 -0.507 9.337 -4.408 235 2HB ARG 30 HB1 ARG 30 -0.337 8.268 -5.793 236 1HG ARG 30 HG2 ARG 30 -2.826 9.820 -5.116 237 2HG ARG 30 HG1 ARG 30 -1.610 10.316 -6.294 238 1HD ARG 30 HD2 ARG 30 -2.040 7.993 -7.352 239 2HD ARG 30 HD1 ARG 30 -3.528 8.018 -6.407 240 HE ARG 30 HE ARG 30 -3.119 10.387 -7.983 241 1HH1 ARG 30 HH11 ARG 30 -4.380 7.133 -7.984 242 2HH1 ARG 30 HH12 ARG 30 -5.484 7.428 -9.286 243 1HH2 ARG 30 HH21 ARG 30 -4.569 10.777 -9.695 244 2HH2 ARG 30 HH22 ARG 30 -5.592 9.497 -10.250 245 H LEU 31 HN LEU 31 -0.003 7.654 -2.301 246 HA LEU 31 HA LEU 31 1.920 5.752 -3.188 247 1HB LEU 31 HB2 LEU 31 1.492 7.393 -0.749 248 2HB LEU 31 HB1 LEU 31 2.534 5.990 -0.600 249 HG LEU 31 HG LEU 31 3.759 8.102 -1.056 250 1HD1 LEU 31 HD11 LEU 31 4.322 5.643 -1.920 251 2HD1 LEU 31 HD12 LEU 31 5.352 7.033 -2.260 252 3HD1 LEU 31 HD13 LEU 31 4.211 6.464 -3.477 253 1HD2 LEU 31 HD21 LEU 31 3.382 9.419 -2.849 254 2HD2 LEU 31 HD22 LEU 31 1.775 8.696 -2.775 255 3HD2 LEU 31 HD23 LEU 31 2.978 8.060 -3.898 256 H TYR 32 HN TYR 32 -0.878 5.619 -1.090 257 HA TYR 32 HA TYR 32 -0.285 3.073 0.049 258 1HB TYR 32 HB2 TYR 32 -2.494 5.006 0.132 259 2HB TYR 32 HB1 TYR 32 -3.013 3.328 0.260 260 HD1 TYR 32 HD1 TYR 32 -2.203 6.083 2.139 261 HD2 TYR 32 HD2 TYR 32 -1.325 1.926 1.911 262 HE1 TYR 32 HE1 TYR 32 -1.597 6.088 4.522 263 HE2 TYR 32 HE2 TYR 32 -0.716 1.918 4.294 264 HH TYR 32 HH TYR 32 0.097 4.379 5.992 265 H GLN 33 HN GLN 33 -2.278 4.164 -2.664 266 HA GLN 33 HA GLN 33 -3.355 1.624 -3.293 267 1HB GLN 33 HB2 GLN 33 -3.173 4.263 -4.652 268 2HB GLN 33 HB1 GLN 33 -3.518 2.862 -5.656 269 1HG GLN 33 HG2 GLN 33 -5.356 2.355 -3.919 270 2HG GLN 33 HG1 GLN 33 -5.141 4.038 -3.440 271 1HE2 GLN 33 HE21 GLN 33 -7.266 4.491 -4.102 272 2HE2 GLN 33 HE22 GLN 33 -7.672 4.663 -5.773 273 H HIS 34 HN HIS 34 -0.368 3.229 -4.119 274 HA HIS 34 HA HIS 34 0.349 1.547 -6.292 275 1HB HIS 34 HB2 HIS 34 1.712 3.579 -4.610 276 2HB HIS 34 HB1 HIS 34 2.743 2.418 -5.441 277 HD1 HIS 34 HD1 HIS 34 3.631 4.451 -6.870 278 HD2 HIS 34 HD2 HIS 34 -0.382 3.519 -7.416 279 HE1 HIS 34 HE1 HIS 34 2.945 5.638 -8.978 280 HE2 HIS 34 HE2 HIS 34 0.537 4.989 -9.336 281 H ALA 35 HN ALA 35 0.908 1.419 -2.817 282 HA ALA 35 HA ALA 35 2.754 -0.737 -2.877 283 1HB ALA 35 HB1 ALA 35 2.850 -0.484 -0.643 284 2HB ALA 35 HB2 ALA 35 1.095 -0.450 -0.466 285 3HB ALA 35 HB3 ALA 35 1.959 1.003 -0.968 286 H VAL 36 HN VAL 36 -0.731 -0.537 -2.860 287 HA VAL 36 HA VAL 36 -1.196 -3.261 -2.135 288 HB VAL 36 HB VAL 36 -3.069 -1.411 -3.614 289 1HG1 VAL 36 HG11 VAL 36 -4.825 -2.811 -2.810 290 2HG1 VAL 36 HG12 VAL 36 -3.706 -3.735 -1.808 291 3HG1 VAL 36 HG13 VAL 36 -3.618 -3.852 -3.565 292 1HG2 VAL 36 HG21 VAL 36 -3.427 -1.768 -0.724 293 2HG2 VAL 36 HG22 VAL 36 -3.571 -0.317 -1.716 294 3HG2 VAL 36 HG23 VAL 36 -1.982 -0.867 -1.182 295 H GLU 37 HN GLU 37 -0.730 -1.538 -5.150 296 HA GLU 37 HA GLU 37 -1.621 -3.623 -6.864 297 1HB GLU 37 HB2 GLU 37 0.081 -1.177 -7.283 298 2HB GLU 37 HB1 GLU 37 -0.215 -2.322 -8.583 299 1HG GLU 37 HG2 GLU 37 -2.304 -0.774 -7.067 300 2HG GLU 37 HG1 GLU 37 -1.746 -0.450 -8.708 301 H TYR 38 HN TYR 38 1.447 -2.829 -5.374 302 HA TYR 38 HA TYR 38 3.011 -4.624 -6.949 303 1HB TYR 38 HB2 TYR 38 3.473 -3.085 -4.415 304 2HB TYR 38 HB1 TYR 38 4.627 -4.314 -4.922 305 HD1 TYR 38 HD1 TYR 38 3.849 -0.915 -5.095 306 HD2 TYR 38 HD2 TYR 38 5.358 -4.098 -7.483 307 HE1 TYR 38 HE1 TYR 38 4.919 0.720 -6.589 308 HE2 TYR 38 HE2 TYR 38 6.433 -2.473 -8.982 309 HH TYR 38 HH TYR 38 7.228 -0.163 -8.928 310 H PHE 39 HN PHE 39 1.311 -4.848 -3.878 311 HA PHE 39 HA PHE 39 2.387 -7.336 -3.069 312 1HB PHE 39 HB2 PHE 39 -0.028 -5.735 -2.308 313 2HB PHE 39 HB1 PHE 39 0.131 -7.390 -1.729 314 HD1 PHE 39 HD1 PHE 39 2.682 -7.853 -0.853 315 HD2 PHE 39 HD2 PHE 39 0.622 -4.131 -0.821 316 HE1 PHE 39 HE1 PHE 39 4.128 -7.074 0.980 317 HE2 PHE 39 HE2 PHE 39 2.063 -3.343 1.010 318 HZ PHE 39 HZ PHE 39 3.820 -4.815 1.913 319 H LEU 40 HN LEU 40 -0.549 -6.464 -4.854 320 HA LEU 40 HA LEU 40 -1.640 -9.038 -5.049 321 1HB LEU 40 HB2 LEU 40 -1.897 -6.574 -6.750 322 2HB LEU 40 HB1 LEU 40 -2.729 -8.061 -7.166 323 HG LEU 40 HG LEU 40 -3.072 -6.812 -4.458 324 1HD1 LEU 40 HD11 LEU 40 -3.603 -5.053 -6.017 325 2HD1 LEU 40 HD12 LEU 40 -5.096 -5.708 -5.344 326 3HD1 LEU 40 HD13 LEU 40 -4.593 -6.154 -6.974 327 1HD2 LEU 40 HD21 LEU 40 -3.813 -9.195 -5.133 328 2HD2 LEU 40 HD22 LEU 40 -5.086 -8.368 -6.031 329 3HD2 LEU 40 HD23 LEU 40 -4.956 -8.153 -4.286 330 H HIS 41 HN HIS 41 0.538 -7.284 -7.236 331 HA HIS 41 HA HIS 41 0.683 -9.325 -9.190 332 1HB HIS 41 HB2 HIS 41 1.346 -6.850 -9.402 333 2HB HIS 41 HB1 HIS 41 2.871 -7.324 -8.663 334 HD1 HIS 41 HD1 HIS 41 1.341 -6.920 -11.860 335 HD2 HIS 41 HD2 HIS 41 4.134 -9.540 -10.250 336 HE1 HIS 41 HE1 HIS 41 2.537 -7.925 -13.830 337 HE2 HIS 41 HE2 HIS 41 4.161 -9.573 -12.840 338 H ALA 42 HN ALA 42 2.407 -8.734 -6.212 339 HA ALA 42 HA ALA 42 4.583 -10.480 -6.694 340 1HB ALA 42 HB1 ALA 42 3.446 -9.683 -4.021 341 2HB ALA 42 HB2 ALA 42 4.557 -8.695 -4.970 342 3HB ALA 42 HB3 ALA 42 5.076 -10.260 -4.358 343 H ILE 43 HN ILE 43 1.397 -10.910 -5.237 344 HA ILE 43 HA ILE 43 1.901 -13.620 -4.430 345 HB ILE 43 HB ILE 43 -0.772 -12.240 -4.699 346 1HG1 ILE 43 HG12 ILE 43 0.587 -12.510 -2.066 347 2HG1 ILE 43 HG11 ILE 43 1.188 -11.270 -3.155 348 1HG2 ILE 43 HG21 ILE 43 0.145 -14.680 -3.187 349 2HG2 ILE 43 HG22 ILE 43 -1.042 -14.600 -4.488 350 3HG2 ILE 43 HG23 ILE 43 -1.406 -13.890 -2.918 351 1HD1 ILE 43 HD11 ILE 43 -0.470 -9.937 -2.576 352 2HD1 ILE 43 HD12 ILE 43 -1.022 -11.150 -1.426 353 3HD1 ILE 43 HD13 ILE 43 -1.658 -11.140 -3.071 354 H LYS 44 HN LYS 44 0.275 -12.030 -7.130 355 HA LYS 44 HA LYS 44 -0.890 -14.320 -8.272 356 1HB LYS 44 HB2 LYS 44 -1.019 -11.680 -8.811 357 2HB LYS 44 HB1 LYS 44 0.055 -12.190 -10.100 358 1HG LYS 44 HG2 LYS 44 -2.051 -14.050 -10.040 359 2HG LYS 44 HG1 LYS 44 -2.785 -12.450 -9.895 360 1HD LYS 44 HD2 LYS 44 -2.677 -12.660 -12.180 361 2HD LYS 44 HD1 LYS 44 -1.143 -11.850 -11.850 362 1HE LYS 44 HE2 LYS 44 -0.291 -13.520 -13.100 363 2HE LYS 44 HE1 LYS 44 -0.399 -14.440 -11.590 364 1HZ LYS 44 HZ1 LYS 44 -1.364 -15.520 -13.640 365 2HZ LYS 44 HZ2 LYS 44 -2.606 -14.370 -13.570 366 3HZ LYS 44 HZ3 LYS 44 -2.382 -15.450 -12.280 367 H TYR 45 HN TYR 45 2.158 -12.660 -9.087 368 HA TYR 45 HA TYR 45 2.956 -14.810 -10.840 369 1HB TYR 45 HB2 TYR 45 4.215 -12.210 -9.991 370 2HB TYR 45 HB1 TYR 45 5.135 -13.410 -10.890 371 HD1 TYR 45 HD1 TYR 45 2.061 -11.330 -11.030 372 HD2 TYR 45 HD2 TYR 45 4.957 -13.550 -13.220 373 HE1 TYR 45 HE1 TYR 45 1.129 -10.460 -13.130 374 HE2 TYR 45 HE2 TYR 45 4.034 -12.680 -15.330 375 HH TYR 45 HH TYR 45 1.327 -11.630 -15.860 376 H GLU 46 HN GLU 46 4.539 -13.300 -8.016 377 HA GLU 46 HA GLU 46 6.071 -15.720 -7.560 378 1HB GLU 46 HB2 GLU 46 6.018 -13.000 -6.270 379 2HB GLU 46 HB1 GLU 46 6.933 -14.330 -5.573 380 1HG GLU 46 HG2 GLU 46 7.300 -13.330 -8.386 381 2HG GLU 46 HG1 GLU 46 8.256 -12.790 -7.008 382 H ALA 47 HN ALA 47 4.208 -17.080 -7.112 383 HA ALA 47 HA ALA 47 2.694 -16.580 -4.701 384 1HB ALA 47 HB1 ALA 47 1.743 -17.670 -6.753 385 2HB ALA 47 HB2 ALA 47 1.464 -18.550 -5.247 386 3HB ALA 47 HB3 ALA 47 2.712 -19.090 -6.365 387 H HIS 48 HN HIS 48 3.153 -17.300 -2.722 388 HA HIS 48 HA HIS 48 5.312 -19.280 -2.435 389 1HB HIS 48 HB2 HIS 48 4.966 -16.680 -1.270 390 2HB HIS 48 HB1 HIS 48 4.958 -17.890 0.008 391 HD1 HIS 48 HD1 HIS 48 7.076 -19.800 -0.651 392 HD2 HIS 48 HD2 HIS 48 7.479 -15.760 -1.534 393 HE1 HIS 48 HE1 HIS 48 9.550 -19.400 -0.863 394 HE2 HIS 48 HE2 HIS 48 9.774 -16.930 -1.312 395 H SER 49 HN SER 49 5.028 -19.870 0.240 396 HA SER 49 HA SER 49 2.994 -21.810 0.210 397 1HB SER 49 HB2 SER 49 4.939 -20.790 2.207 398 2HB SER 49 HB1 SER 49 3.534 -21.640 2.841 399 HG SER 49 HG SER 49 5.631 -22.580 1.251 400 H ASP 50 HN ASP 50 1.390 -21.950 2.134 401 HA ASP 50 HA ASP 50 -0.577 -20.000 1.777 402 1HB ASP 50 HB2 ASP 50 -0.172 -22.220 3.734 403 2HB ASP 50 HB1 ASP 50 -1.464 -21.060 4.018 404 H LYS 51 HN LYS 51 1.968 -20.300 4.172 405 HA LYS 51 HA LYS 51 1.053 -18.400 6.021 406 1HB LYS 51 HB2 LYS 51 3.049 -20.070 6.146 407 2HB LYS 51 HB1 LYS 51 3.972 -18.760 5.421 408 1HG LYS 51 HG2 LYS 51 4.354 -18.190 7.556 409 2HG LYS 51 HG1 LYS 51 2.762 -17.440 7.435 410 1HD LYS 51 HD2 LYS 51 2.748 -20.300 8.131 411 2HD LYS 51 HD1 LYS 51 3.467 -19.230 9.341 412 1HE LYS 51 HE2 LYS 51 1.496 -18.240 9.830 413 2HE LYS 51 HE1 LYS 51 0.917 -18.320 8.167 414 1HZ LYS 51 HZ1 LYS 51 1.141 -20.780 9.786 415 2HZ LYS 51 HZ2 LYS 51 0.140 -20.460 8.459 416 3HZ LYS 51 HZ3 LYS 51 -0.204 -19.760 9.962 417 H ALA 52 HN ALA 52 3.182 -18.030 3.202 418 HA ALA 52 HA ALA 52 3.489 -15.210 3.553 419 1HB ALA 52 HB1 ALA 52 4.921 -17.030 2.218 420 2HB ALA 52 HB2 ALA 52 4.957 -15.310 1.826 421 3HB ALA 52 HB3 ALA 52 3.947 -16.400 0.885 422 H LYS 53 HN LYS 53 1.509 -17.250 1.440 423 HA LYS 53 HA LYS 53 0.368 -15.220 -0.108 424 1HB LYS 53 HB2 LYS 53 0.252 -17.780 -0.399 425 2HB LYS 53 HB1 LYS 53 -1.128 -17.710 0.688 426 1HG LYS 53 HG2 LYS 53 -2.223 -16.140 -0.872 427 2HG LYS 53 HG1 LYS 53 -0.862 -16.330 -1.977 428 1HD LYS 53 HD2 LYS 53 -1.556 -18.360 -2.670 429 2HD LYS 53 HD1 LYS 53 -2.077 -18.840 -1.055 430 1HE LYS 53 HE2 LYS 53 -3.873 -16.870 -1.731 431 2HE LYS 53 HE1 LYS 53 -3.612 -17.710 -3.258 432 1HZ LYS 53 HZ1 LYS 53 -4.106 -19.810 -2.081 433 2HZ LYS 53 HZ2 LYS 53 -5.415 -18.730 -2.097 434 3HZ LYS 53 HZ3 LYS 53 -4.490 -18.920 -0.692 435 H GLU 54 HN GLU 54 -0.649 -16.620 2.980 436 HA GLU 54 HA GLU 54 -3.047 -15.070 3.149 437 1HB GLU 54 HB2 GLU 54 -1.537 -16.880 4.984 438 2HB GLU 54 HB1 GLU 54 -2.744 -15.810 5.673 439 1HG GLU 54 HG2 GLU 54 -4.396 -16.750 4.064 440 2HG GLU 54 HG1 GLU 54 -3.172 -17.930 3.590 441 H SER 55 HN SER 55 0.233 -14.750 4.396 442 HA SER 55 HA SER 55 -0.199 -12.610 6.157 443 1HB SER 55 HB2 SER 55 2.161 -13.720 4.716 444 2HB SER 55 HB1 SER 55 2.317 -12.110 5.417 445 HG SER 55 HG SER 55 1.671 -13.020 7.424 446 H ILE 56 HN ILE 56 0.622 -12.620 2.706 447 HA ILE 56 HA ILE 56 0.759 -9.789 2.481 448 HB ILE 56 HB ILE 56 0.248 -11.770 0.263 449 1HG1 ILE 56 HG12 ILE 56 2.962 -10.690 0.942 450 2HG1 ILE 56 HG11 ILE 56 2.332 -12.070 1.838 451 1HG2 ILE 56 HG21 ILE 56 1.430 -10.010 -1.089 452 2HG2 ILE 56 HG22 ILE 56 1.285 -8.946 0.308 453 3HG2 ILE 56 HG23 ILE 56 -0.164 -9.557 -0.489 454 1HD1 ILE 56 HD11 ILE 56 3.640 -12.950 0.095 455 2HD1 ILE 56 HD12 ILE 56 2.910 -11.880 -1.099 456 3HD1 ILE 56 HD13 ILE 56 1.962 -13.190 -0.394 457 H ARG 57 HN ARG 57 -1.760 -12.180 1.800 458 HA ARG 57 HA ARG 57 -3.633 -10.460 0.636 459 1HB ARG 57 HB2 ARG 57 -3.550 -13.120 1.080 460 2HB ARG 57 HB1 ARG 57 -4.665 -12.640 2.355 461 1HG ARG 57 HG2 ARG 57 -6.062 -13.140 0.579 462 2HG ARG 57 HG1 ARG 57 -5.922 -11.380 0.497 463 1HD ARG 57 HD2 ARG 57 -4.262 -11.560 -1.252 464 2HD ARG 57 HD1 ARG 57 -4.273 -13.320 -1.123 465 HE ARG 57 HE ARG 57 -6.180 -13.370 -2.388 466 1HH1 ARG 57 HH11 ARG 57 -5.661 -10.110 -1.253 467 2HH1 ARG 57 HH12 ARG 57 -6.922 -9.439 -2.229 468 1HH2 ARG 57 HH21 ARG 57 -7.839 -12.480 -3.672 469 2HH2 ARG 57 HH22 ARG 57 -8.160 -10.780 -3.602 470 H ALA 58 HN ALA 58 -2.920 -11.170 4.005 471 HA ALA 58 HA ALA 58 -5.186 -9.909 5.127 472 1HB ALA 58 HB1 ALA 58 -3.830 -11.480 6.391 473 2HB ALA 58 HB2 ALA 58 -3.918 -9.933 7.224 474 3HB ALA 58 HB3 ALA 58 -2.461 -10.370 6.334 475 H LYS 59 HN LYS 59 -2.016 -8.723 4.170 476 HA LYS 59 HA LYS 59 -2.348 -6.139 5.353 477 1HB LYS 59 HB2 LYS 59 -0.341 -7.475 3.628 478 2HB LYS 59 HB1 LYS 59 -0.414 -5.721 3.527 479 1HG LYS 59 HG2 LYS 59 0.948 -5.699 5.280 480 2HG LYS 59 HG1 LYS 59 -0.447 -6.199 6.240 481 1HD LYS 59 HD2 LYS 59 0.149 -8.543 5.896 482 2HD LYS 59 HD1 LYS 59 1.532 -8.053 4.915 483 1HE LYS 59 HE2 LYS 59 1.989 -6.622 7.159 484 2HE LYS 59 HE1 LYS 59 1.172 -8.028 7.840 485 1HZ LYS 59 HZ1 LYS 59 3.551 -8.366 7.776 486 2HZ LYS 59 HZ2 LYS 59 3.583 -8.090 6.107 487 3HZ LYS 59 HZ3 LYS 59 2.790 -9.450 6.724 488 H CYS 60 HN CYS 60 -2.944 -7.545 2.192 489 HA CYS 60 HA CYS 60 -3.297 -5.207 0.707 490 1HB CYS 60 HB2 CYS 60 -3.379 -7.834 0.110 491 2HB CYS 60 HB1 CYS 60 -5.103 -7.479 0.101 492 HG CYS 60 HG CYS 60 -4.633 -5.715 -1.792 493 H VAL 61 HN VAL 61 -5.729 -7.156 2.429 494 HA VAL 61 HA VAL 61 -7.920 -5.491 1.846 495 HB VAL 61 HB VAL 61 -8.184 -7.796 2.654 496 1HG1 VAL 61 HG11 VAL 61 -7.934 -8.269 5.071 497 2HG1 VAL 61 HG12 VAL 61 -7.191 -6.683 5.276 498 3HG1 VAL 61 HG13 VAL 61 -6.403 -7.902 4.275 499 1HG2 VAL 61 HG21 VAL 61 -10.100 -7.431 4.008 500 2HG2 VAL 61 HG22 VAL 61 -9.982 -6.056 2.910 501 3HG2 VAL 61 HG23 VAL 61 -9.479 -5.888 4.591 502 H GLN 62 HN GLN 62 -5.551 -5.442 4.447 503 HA GLN 62 HA GLN 62 -6.901 -3.474 6.010 504 1HB GLN 62 HB2 GLN 62 -4.705 -5.162 6.359 505 2HB GLN 62 HB1 GLN 62 -4.030 -3.540 6.418 506 1HG GLN 62 HG2 GLN 62 -4.545 -3.799 8.607 507 2HG GLN 62 HG1 GLN 62 -6.076 -3.135 8.039 508 1HE2 GLN 62 HE21 GLN 62 -7.821 -4.189 8.637 509 2HE2 GLN 62 HE22 GLN 62 -7.904 -5.854 9.091 510 H TYR 63 HN TYR 63 -4.285 -3.376 3.629 511 HA TYR 63 HA TYR 63 -3.723 -0.617 3.910 512 1HB TYR 63 HB2 TYR 63 -3.134 -2.673 1.806 513 2HB TYR 63 HB1 TYR 63 -2.771 -0.977 1.508 514 HD1 TYR 63 HD1 TYR 63 -1.301 -3.909 2.430 515 HD2 TYR 63 HD2 TYR 63 -1.595 0.117 3.771 516 HE1 TYR 63 HE1 TYR 63 0.829 -4.161 3.634 517 HE2 TYR 63 HE2 TYR 63 0.534 -0.122 4.977 518 HH TYR 63 HH TYR 63 2.612 -2.811 4.523 519 H LEU 64 HN LEU 64 -5.965 -2.427 1.894 520 HA LEU 64 HA LEU 64 -6.702 -0.286 0.195 521 1HB LEU 64 HB2 LEU 64 -8.127 -2.829 0.960 522 2HB LEU 64 HB1 LEU 64 -8.744 -1.703 -0.235 523 HG LEU 64 HG LEU 64 -5.979 -2.753 -0.596 524 1HD1 LEU 64 HD11 LEU 64 -7.545 -4.674 0.005 525 2HD1 LEU 64 HD12 LEU 64 -6.664 -4.795 -1.518 526 3HD1 LEU 64 HD13 LEU 64 -8.364 -4.326 -1.517 527 1HD2 LEU 64 HD21 LEU 64 -7.060 -2.789 -3.004 528 2HD2 LEU 64 HD22 LEU 64 -6.461 -1.294 -2.286 529 3HD2 LEU 64 HD23 LEU 64 -8.187 -1.655 -2.258 530 H ASP 65 HN ASP 65 -7.926 -1.440 3.291 531 HA ASP 65 HA ASP 65 -10.240 0.192 3.350 532 1HB ASP 65 HB2 ASP 65 -9.417 -1.879 4.846 533 2HB ASP 65 HB1 ASP 65 -8.942 -0.560 5.913 534 H ARG 66 HN ARG 66 -6.981 0.595 4.685 535 HA ARG 66 HA ARG 66 -7.431 3.013 6.027 536 1HB ARG 66 HB2 ARG 66 -5.377 1.383 6.025 537 2HB ARG 66 HB1 ARG 66 -4.794 2.426 4.737 538 1HG ARG 66 HG2 ARG 66 -3.847 3.496 6.487 539 2HG ARG 66 HG1 ARG 66 -5.415 4.305 6.512 540 1HD ARG 66 HD2 ARG 66 -5.501 1.843 8.013 541 2HD ARG 66 HD1 ARG 66 -4.203 2.886 8.592 542 HE ARG 66 HE ARG 66 -6.475 4.464 8.308 543 1HH1 ARG 66 HH11 ARG 66 -5.410 1.756 10.235 544 2HH1 ARG 66 HH12 ARG 66 -6.404 2.169 11.591 545 1HH2 ARG 66 HH21 ARG 66 -7.783 5.009 10.091 546 2HH2 ARG 66 HH22 ARG 66 -7.752 4.016 11.510 547 H ALA 67 HN ALA 67 -6.320 2.380 2.717 548 HA ALA 67 HA ALA 67 -5.830 5.024 1.959 549 1HB ALA 67 HB1 ALA 67 -5.467 2.675 0.750 550 2HB ALA 67 HB2 ALA 67 -5.492 4.204 -0.129 551 3HB ALA 67 HB3 ALA 67 -6.933 3.189 -0.085 552 H GLU 68 HN GLU 68 -8.799 3.094 1.729 553 HA GLU 68 HA GLU 68 -10.360 4.969 0.372 554 1HB GLU 68 HB2 GLU 68 -10.890 2.591 2.069 555 2HB GLU 68 HB1 GLU 68 -12.230 3.706 1.837 556 1HG GLU 68 HG2 GLU 68 -10.650 2.508 -0.422 557 2HG GLU 68 HG1 GLU 68 -12.130 1.806 0.222 558 H LYS 69 HN LYS 69 -9.517 4.697 3.753 559 HA LYS 69 HA LYS 69 -11.470 6.544 4.708 560 1HB LYS 69 HB2 LYS 69 -10.080 4.740 5.997 561 2HB LYS 69 HB1 LYS 69 -8.886 6.016 6.130 562 1HG LYS 69 HG2 LYS 69 -11.160 7.299 6.911 563 2HG LYS 69 HG1 LYS 69 -11.420 5.668 7.534 564 1HD LYS 69 HD2 LYS 69 -9.785 5.863 9.070 565 2HD LYS 69 HD1 LYS 69 -8.729 6.761 7.977 566 1HE LYS 69 HE2 LYS 69 -9.783 8.801 8.461 567 2HE LYS 69 HE1 LYS 69 -11.170 8.005 9.188 568 1HZ LYS 69 HZ1 LYS 69 -10.010 7.533 11.109 569 2HZ LYS 69 HZ2 LYS 69 -9.422 9.066 10.709 570 3HZ LYS 69 HZ3 LYS 69 -8.497 7.691 10.372 571 H LEU 70 HN LEU 70 -8.205 6.810 3.484 572 HA LEU 70 HA LEU 70 -7.682 9.441 4.382 573 1HB LEU 70 HB2 LEU 70 -6.556 7.983 1.990 574 2HB LEU 70 HB1 LEU 70 -5.891 9.441 2.701 575 HG LEU 70 HG LEU 70 -6.144 6.850 4.219 576 1HD1 LEU 70 HD11 LEU 70 -4.069 6.173 3.549 577 2HD1 LEU 70 HD12 LEU 70 -3.540 7.807 3.150 578 3HD1 LEU 70 HD13 LEU 70 -4.631 6.945 2.066 579 1HD2 LEU 70 HD21 LEU 70 -4.496 9.331 4.696 580 2HD2 LEU 70 HD22 LEU 70 -4.510 7.883 5.702 581 3HD2 LEU 70 HD23 LEU 70 -5.959 8.880 5.572 582 H LYS 71 HN LYS 71 -8.936 8.168 1.313 583 HA LYS 71 HA LYS 71 -9.128 10.602 -0.050 584 1HB LYS 71 HB2 LYS 71 -9.463 8.132 -0.855 585 2HB LYS 71 HB1 LYS 71 -11.150 8.434 -0.468 586 1HG LYS 71 HG2 LYS 71 -11.320 10.142 -2.077 587 2HG LYS 71 HG1 LYS 71 -9.572 10.239 -2.272 588 1HD LYS 71 HD2 LYS 71 -9.839 7.720 -2.981 589 2HD LYS 71 HD1 LYS 71 -11.490 8.220 -3.326 590 1HE LYS 71 HE2 LYS 71 -9.450 10.053 -4.341 591 2HE LYS 71 HE1 LYS 71 -9.390 8.440 -5.051 592 1HZ LYS 71 HZ1 LYS 71 -11.760 10.228 -4.971 593 2HZ LYS 71 HZ2 LYS 71 -11.740 8.659 -5.602 594 3HZ LYS 71 HZ3 LYS 71 -10.820 9.870 -6.334 595 H ASP 72 HN ASP 72 -11.550 8.885 1.899 596 HA ASP 72 HA ASP 72 -13.580 10.837 1.571 597 1HB ASP 72 HB2 ASP 72 -13.400 8.298 2.705 598 2HB ASP 72 HB1 ASP 72 -13.780 9.352 4.065 599 H TYR 73 HN TYR 73 -10.910 10.491 3.799 600 HA TYR 73 HA TYR 73 -11.840 12.343 5.745 601 1HB TYR 73 HB2 TYR 73 -10.080 10.670 6.213 602 2HB TYR 73 HB1 TYR 73 -9.006 11.499 5.099 603 HD1 TYR 73 HD1 TYR 73 -8.179 13.784 5.663 604 HD2 TYR 73 HD2 TYR 73 -10.380 11.438 8.442 605 HE1 TYR 73 HE1 TYR 73 -7.388 15.221 7.495 606 HE2 TYR 73 HE2 TYR 73 -9.603 12.868 10.282 607 HH TYR 73 HH TYR 73 -7.086 15.164 9.881 608 H LEU 74 HN LEU 74 -9.530 12.647 3.054 609 HA LEU 74 HA LEU 74 -9.140 15.447 3.453 610 1HB LEU 74 HB2 LEU 74 -7.940 15.371 1.318 611 2HB LEU 74 HB1 LEU 74 -7.419 14.101 2.409 612 HG LEU 74 HG LEU 74 -9.257 12.724 1.030 613 1HD1 LEU 74 HD11 LEU 74 -9.067 13.333 -1.356 614 2HD1 LEU 74 HD12 LEU 74 -8.244 14.819 -0.885 615 3HD1 LEU 74 HD13 LEU 74 -9.917 14.546 -0.401 616 1HD2 LEU 74 HD21 LEU 74 -6.356 13.186 0.690 617 2HD2 LEU 74 HD22 LEU 74 -7.182 12.318 -0.604 618 3HD2 LEU 74 HD23 LEU 74 -7.238 11.700 1.046 619 H ARG 75 HN ARG 75 -11.310 13.497 1.544 620 HA ARG 75 HA ARG 75 -12.200 15.523 -0.218 621 1HB ARG 75 HB2 ARG 75 -13.200 12.844 0.623 622 2HB ARG 75 HB1 ARG 75 -14.330 13.921 -0.189 623 1HG ARG 75 HG2 ARG 75 -12.560 14.154 -2.000 624 2HG ARG 75 HG1 ARG 75 -11.760 12.780 -1.236 625 1HD ARG 75 HD2 ARG 75 -13.040 11.563 -2.623 626 2HD ARG 75 HD1 ARG 75 -14.290 11.854 -1.417 627 HE ARG 75 HE ARG 75 -14.140 13.900 -3.426 628 1HH1 ARG 75 HH11 ARG 75 -15.480 10.775 -2.635 629 2HH1 ARG 75 HH12 ARG 75 -16.810 10.929 -3.729 630 1HH2 ARG 75 HH21 ARG 75 -15.890 14.105 -4.866 631 2HH2 ARG 75 HH22 ARG 75 -17.050 12.819 -4.996 632 H SER 76 HN SER 76 -13.430 14.350 2.894 633 HA SER 76 HA SER 76 -15.730 15.945 3.005 634 1HB SER 76 HB2 SER 76 -14.730 13.992 4.578 635 2HB SER 76 HB1 SER 76 -14.340 15.401 5.563 636 HG SER 76 HG SER 76 -16.370 14.802 6.148 637 H LYS 77 HN LYS 77 -12.550 16.495 4.518 638 HA LYS 77 HA LYS 77 -13.190 19.114 5.408 639 1HB LYS 77 HB2 LYS 77 -11.320 17.474 6.196 640 2HB LYS 77 HB1 LYS 77 -10.370 18.203 4.903 641 1HG LYS 77 HG2 LYS 77 -10.800 20.427 5.927 642 2HG LYS 77 HG1 LYS 77 -11.590 19.606 7.274 643 1HD LYS 77 HD2 LYS 77 -9.638 18.942 8.174 644 2HD LYS 77 HD1 LYS 77 -8.928 18.570 6.601 645 1HE LYS 77 HE2 LYS 77 -9.365 21.424 7.320 646 2HE LYS 77 HE1 LYS 77 -8.036 20.561 8.093 647 1HZ LYS 77 HZ1 LYS 77 -8.457 20.877 5.170 648 2HZ LYS 77 HZ2 LYS 77 -7.214 19.972 5.876 649 3HZ LYS 77 HZ3 LYS 77 -7.273 21.647 6.101 Start of MODEL 8 1 1H MET 1 HT1 MET 1 23.201 -2.628 -3.399 2 2H MET 1 HT2 MET 1 22.261 -1.712 -4.505 3 3H MET 1 HT3 MET 1 22.905 -3.231 -4.975 4 HA MET 1 HA MET 1 21.564 -4.313 -3.315 5 1HB MET 1 HB2 MET 1 21.498 -2.027 -2.026 6 2HB MET 1 HB1 MET 1 20.065 -1.736 -3.002 7 1HG MET 1 HG2 MET 1 18.817 -3.096 -1.767 8 2HG MET 1 HG1 MET 1 20.047 -4.359 -1.759 9 1HE MET 1 HE1 MET 1 20.407 -5.221 0.735 10 2HE MET 1 HE2 MET 1 21.612 -4.237 1.566 11 3HE MET 1 HE3 MET 1 21.841 -4.666 -0.129 12 H THR 2 HN THR 2 19.419 -5.037 -3.853 13 HA THR 2 HA THR 2 18.573 -4.144 -6.530 14 HB THR 2 HB THR 2 17.579 -6.424 -6.754 15 HG1 THR 2 HG1 THR 2 17.586 -7.735 -5.127 16 1HG2 THR 2 HG21 THR 2 19.776 -6.054 -7.698 17 2HG2 THR 2 HG22 THR 2 19.657 -7.675 -7.015 18 3HG2 THR 2 HG23 THR 2 20.524 -6.411 -6.141 19 H THR 3 HN THR 3 16.354 -3.953 -6.983 20 HA THR 3 HA THR 3 14.674 -3.617 -4.588 21 HB THR 3 HB THR 3 13.341 -2.044 -6.033 22 HG1 THR 3 HG1 THR 3 14.315 -1.322 -7.929 23 1HG2 THR 3 HG21 THR 3 14.589 -0.228 -5.514 24 2HG2 THR 3 HG22 THR 3 16.094 -0.960 -6.073 25 3HG2 THR 3 HG23 THR 3 15.414 -1.425 -4.513 26 H SER 4 HN SER 4 13.562 -5.478 -4.384 27 HA SER 4 HA SER 4 12.492 -6.836 -6.712 28 1HB SER 4 HB2 SER 4 13.262 -7.626 -4.118 29 2HB SER 4 HB1 SER 4 11.523 -7.903 -4.213 30 HG SER 4 HG SER 4 12.001 -9.008 -6.247 31 H THR 5 HN THR 5 10.119 -7.801 -6.078 32 HA THR 5 HA THR 5 8.380 -5.562 -6.379 33 HB THR 5 HB THR 5 7.427 -8.341 -5.755 34 HG1 THR 5 HG1 THR 5 8.628 -7.427 -8.146 35 1HG2 THR 5 HG21 THR 5 6.405 -6.494 -7.875 36 2HG2 THR 5 HG22 THR 5 5.858 -6.377 -6.203 37 3HG2 THR 5 HG23 THR 5 5.602 -7.866 -7.112 38 H LEU 6 HN LEU 6 9.041 -7.849 -3.765 39 HA LEU 6 HA LEU 6 7.023 -6.885 -2.018 40 1HB LEU 6 HB2 LEU 6 9.378 -8.678 -1.796 41 2HB LEU 6 HB1 LEU 6 8.774 -7.977 -0.306 42 HG LEU 6 HG LEU 6 7.837 -10.200 -0.724 43 1HD1 LEU 6 HD11 LEU 6 6.557 -8.145 0.303 44 2HD1 LEU 6 HD12 LEU 6 5.748 -9.689 0.037 45 3HD1 LEU 6 HD13 LEU 6 5.532 -8.370 -1.114 46 1HD2 LEU 6 HD21 LEU 6 6.502 -10.720 -2.575 47 2HD2 LEU 6 HD22 LEU 6 7.887 -9.877 -3.257 48 3HD2 LEU 6 HD23 LEU 6 6.349 -9.039 -3.054 49 H GLN 7 HN GLN 7 10.485 -6.195 -2.340 50 HA GLN 7 HA GLN 7 10.688 -4.467 -0.126 51 1HB GLN 7 HB2 GLN 7 12.477 -5.557 -1.826 52 2HB GLN 7 HB1 GLN 7 12.413 -3.922 -2.469 53 1HG GLN 7 HG2 GLN 7 12.703 -4.169 0.455 54 2HG GLN 7 HG1 GLN 7 14.079 -4.681 -0.521 55 1HE2 GLN 7 HE21 GLN 7 13.224 -2.252 1.246 56 2HE2 GLN 7 HE22 GLN 7 13.802 -0.907 0.330 57 H LYS 8 HN LYS 8 9.630 -3.972 -3.417 58 HA LYS 8 HA LYS 8 9.739 -1.126 -3.371 59 1HB LYS 8 HB2 LYS 8 8.796 -3.214 -5.198 60 2HB LYS 8 HB1 LYS 8 7.823 -1.750 -5.247 61 1HG LYS 8 HG2 LYS 8 10.195 -0.600 -5.393 62 2HG LYS 8 HG1 LYS 8 10.651 -2.180 -6.035 63 1HD LYS 8 HD2 LYS 8 8.172 -1.110 -7.162 64 2HD LYS 8 HD1 LYS 8 9.594 -0.120 -7.496 65 1HE LYS 8 HE2 LYS 8 10.030 -2.991 -7.856 66 2HE LYS 8 HE1 LYS 8 8.812 -2.314 -8.935 67 1HZ LYS 8 HZ1 LYS 8 10.987 -2.197 -9.938 68 2HZ LYS 8 HZ2 LYS 8 11.600 -1.340 -8.615 69 3HZ LYS 8 HZ3 LYS 8 10.432 -0.632 -9.613 70 H ALA 9 HN ALA 9 7.318 -3.514 -2.510 71 HA ALA 9 HA ALA 9 5.152 -1.685 -2.259 72 1HB ALA 9 HB1 ALA 9 5.381 -4.328 -0.845 73 2HB ALA 9 HB2 ALA 9 4.995 -4.195 -2.560 74 3HB ALA 9 HB3 ALA 9 3.920 -3.484 -1.357 75 H ILE 10 HN ILE 10 7.622 -2.889 -0.071 76 HA ILE 10 HA ILE 10 6.449 -1.842 2.306 77 HB ILE 10 HB ILE 10 9.361 -2.491 1.842 78 1HG1 ILE 10 HG12 ILE 10 7.408 -4.389 3.094 79 2HG1 ILE 10 HG11 ILE 10 7.527 -4.302 1.339 80 1HG2 ILE 10 HG21 ILE 10 7.670 -2.090 4.285 81 2HG2 ILE 10 HG22 ILE 10 9.208 -1.336 3.863 82 3HG2 ILE 10 HG23 ILE 10 9.159 -3.033 4.341 83 1HD1 ILE 10 HD11 ILE 10 9.540 -5.311 1.295 84 2HD1 ILE 10 HD12 ILE 10 8.980 -5.968 2.833 85 3HD1 ILE 10 HD13 ILE 10 10.066 -4.579 2.810 86 H ASP 11 HN ASP 11 8.598 -0.577 -0.139 87 HA ASP 11 HA ASP 11 9.491 1.681 1.353 88 1HB ASP 11 HB2 ASP 11 9.807 0.641 -1.366 89 2HB ASP 11 HB1 ASP 11 9.748 2.400 -1.299 90 H LEU 12 HN LEU 12 6.750 1.015 -0.708 91 HA LEU 12 HA LEU 12 5.954 3.742 -1.028 92 1HB LEU 12 HB2 LEU 12 4.826 1.079 -1.680 93 2HB LEU 12 HB1 LEU 12 3.680 2.396 -1.518 94 HG LEU 12 HG LEU 12 4.328 2.091 -3.845 95 1HD1 LEU 12 HD11 LEU 12 5.574 4.617 -2.783 96 2HD1 LEU 12 HD12 LEU 12 3.835 4.363 -2.925 97 3HD1 LEU 12 HD13 LEU 12 4.848 4.357 -4.369 98 1HD2 LEU 12 HD21 LEU 12 6.439 1.185 -3.911 99 2HD2 LEU 12 HD22 LEU 12 7.075 2.300 -2.702 100 3HD2 LEU 12 HD23 LEU 12 6.775 2.860 -4.347 101 H VAL 13 HN VAL 13 5.323 1.222 1.306 102 HA VAL 13 HA VAL 13 3.096 2.527 2.545 103 HB VAL 13 HB VAL 13 4.877 0.397 3.733 104 1HG1 VAL 13 HG11 VAL 13 3.275 1.722 5.212 105 2HG1 VAL 13 HG12 VAL 13 3.145 -0.037 5.256 106 3HG1 VAL 13 HG13 VAL 13 1.980 0.911 4.332 107 1HG2 VAL 13 HG21 VAL 13 3.594 0.055 1.414 108 2HG2 VAL 13 HG22 VAL 13 2.269 -0.303 2.522 109 3HG2 VAL 13 HG23 VAL 13 3.767 -1.231 2.608 110 H THR 14 HN THR 14 6.563 2.587 2.949 111 HA THR 14 HA THR 14 6.542 3.842 5.518 112 HB THR 14 HB THR 14 8.810 3.950 3.538 113 HG1 THR 14 HG1 THR 14 8.478 1.834 3.553 114 1HG2 THR 14 HG21 THR 14 8.964 3.549 6.503 115 2HG2 THR 14 HG22 THR 14 8.950 5.151 5.765 116 3HG2 THR 14 HG23 THR 14 10.244 4.015 5.383 117 H LYS 15 HN LYS 15 6.832 4.977 2.184 118 HA LYS 15 HA LYS 15 7.275 7.706 2.895 119 1HB LYS 15 HB2 LYS 15 6.990 6.145 0.440 120 2HB LYS 15 HB1 LYS 15 6.272 7.746 0.320 121 1HG LYS 15 HG2 LYS 15 8.322 8.426 -0.225 122 2HG LYS 15 HG1 LYS 15 8.679 8.284 1.498 123 1HD LYS 15 HD2 LYS 15 9.609 6.113 1.209 124 2HD LYS 15 HD1 LYS 15 9.012 6.009 -0.449 125 1HE LYS 15 HE2 LYS 15 11.096 6.655 -0.990 126 2HE LYS 15 HE1 LYS 15 10.504 8.265 -0.584 127 1HZ LYS 15 HZ1 LYS 15 12.653 7.634 0.476 128 2HZ LYS 15 HZ2 LYS 15 11.819 6.470 1.376 129 3HZ LYS 15 HZ3 LYS 15 11.451 8.109 1.569 130 H ALA 16 HN ALA 16 4.462 5.730 2.305 131 HA ALA 16 HA ALA 16 2.611 7.872 1.985 132 1HB ALA 16 HB1 ALA 16 0.959 6.254 1.878 133 2HB ALA 16 HB2 ALA 16 1.811 5.164 2.972 134 3HB ALA 16 HB3 ALA 16 2.382 5.378 1.317 135 H THR 17 HN THR 17 3.415 5.741 4.720 136 HA THR 17 HA THR 17 1.627 6.839 6.566 137 HB THR 17 HB THR 17 2.744 4.726 6.984 138 HG1 THR 17 HG1 THR 17 2.168 5.631 8.872 139 1HG2 THR 17 HG21 THR 17 5.292 6.274 7.376 140 2HG2 THR 17 HG22 THR 17 4.930 5.265 5.975 141 3HG2 THR 17 HG23 THR 17 5.057 4.537 7.577 142 H GLU 18 HN GLU 18 5.033 7.640 5.941 143 HA GLU 18 HA GLU 18 5.259 9.636 7.908 144 1HB GLU 18 HB2 GLU 18 7.261 10.345 6.722 145 2HB GLU 18 HB1 GLU 18 7.195 8.590 6.806 146 1HG GLU 18 HG2 GLU 18 6.410 8.492 4.509 147 2HG GLU 18 HG1 GLU 18 6.423 10.252 4.419 148 H GLU 19 HN GLU 19 4.286 9.774 4.514 149 HA GLU 19 HA GLU 19 4.177 12.566 4.260 150 1HB GLU 19 HB2 GLU 19 3.226 10.242 2.757 151 2HB GLU 19 HB1 GLU 19 2.183 11.648 2.589 152 1HG GLU 19 HG2 GLU 19 3.648 12.723 1.303 153 2HG GLU 19 HG1 GLU 19 5.013 12.282 2.328 154 H ASP 20 HN ASP 20 1.714 10.221 5.261 155 HA ASP 20 HA ASP 20 -0.479 11.904 5.442 156 1HB ASP 20 HB2 ASP 20 -0.039 9.281 5.991 157 2HB ASP 20 HB1 ASP 20 -0.220 9.925 7.620 158 H LYS 21 HN LYS 21 2.264 11.584 7.574 159 HA LYS 21 HA LYS 21 1.100 13.023 9.757 160 1HB LYS 21 HB2 LYS 21 3.609 11.685 9.178 161 2HB LYS 21 HB1 LYS 21 3.877 13.218 9.995 162 1HG LYS 21 HG2 LYS 21 3.586 12.017 11.857 163 2HG LYS 21 HG1 LYS 21 1.868 12.184 11.491 164 1HD LYS 21 HD2 LYS 21 1.740 10.036 10.565 165 2HD LYS 21 HD1 LYS 21 3.491 9.914 10.385 166 1HE LYS 21 HE2 LYS 21 3.820 9.387 12.587 167 2HE LYS 21 HE1 LYS 21 2.386 10.262 13.122 168 1HZ LYS 21 HZ1 LYS 21 1.924 7.932 11.443 169 2HZ LYS 21 HZ2 LYS 21 1.067 8.480 12.795 170 3HZ LYS 21 HZ3 LYS 21 2.509 7.622 13.000 171 H ALA 22 HN ALA 22 2.761 13.883 6.839 172 HA ALA 22 HA ALA 22 3.188 16.625 7.766 173 1HB ALA 22 HB1 ALA 22 4.954 15.301 6.499 174 2HB ALA 22 HB2 ALA 22 4.610 16.931 5.920 175 3HB ALA 22 HB3 ALA 22 3.946 15.536 5.071 176 H LYS 23 HN LYS 23 0.500 15.517 7.246 177 HA LYS 23 HA LYS 23 -1.468 16.144 6.295 178 1HB LYS 23 HB2 LYS 23 0.206 18.599 6.163 179 2HB LYS 23 HB1 LYS 23 -1.286 18.588 5.234 180 1HG LYS 23 HG2 LYS 23 -1.586 17.645 7.987 181 2HG LYS 23 HG1 LYS 23 -1.062 19.324 7.844 182 1HD LYS 23 HD2 LYS 23 -3.064 19.999 7.097 183 2HD LYS 23 HD1 LYS 23 -3.214 18.626 5.998 184 1HE LYS 23 HE2 LYS 23 -3.732 17.237 8.071 185 2HE LYS 23 HE1 LYS 23 -3.925 18.773 8.914 186 1HZ LYS 23 HZ1 LYS 23 -5.815 19.272 7.767 187 2HZ LYS 23 HZ2 LYS 23 -5.949 17.587 7.790 188 3HZ LYS 23 HZ3 LYS 23 -5.381 18.370 6.403 189 H ASN 24 HN ASN 24 -0.340 14.400 4.732 190 HA ASN 24 HA ASN 24 -0.588 15.513 2.015 191 1HB ASN 24 HB2 ASN 24 1.306 13.391 3.029 192 2HB ASN 24 HB1 ASN 24 0.971 13.631 1.317 193 1HD2 ASN 24 HD21 ASN 24 1.809 15.387 0.268 194 2HD2 ASN 24 HD22 ASN 24 2.977 16.443 0.977 195 H TYR 25 HN TYR 25 -2.818 14.657 3.319 196 HA TYR 25 HA TYR 25 -3.521 11.983 3.156 197 1HB TYR 25 HB2 TYR 25 -5.141 14.506 2.893 198 2HB TYR 25 HB1 TYR 25 -5.894 12.918 2.798 199 HD1 TYR 25 HD1 TYR 25 -6.438 11.733 4.751 200 HD2 TYR 25 HD2 TYR 25 -3.845 15.096 5.000 201 HE1 TYR 25 HE1 TYR 25 -6.568 11.643 7.204 202 HE2 TYR 25 HE2 TYR 25 -3.966 15.015 7.455 203 HH TYR 25 HH TYR 25 -4.689 12.659 9.185 204 H GLU 26 HN GLU 26 -3.487 14.444 0.640 205 HA GLU 26 HA GLU 26 -4.832 12.900 -1.326 206 1HB GLU 26 HB2 GLU 26 -3.925 14.566 -2.924 207 2HB GLU 26 HB1 GLU 26 -4.723 15.304 -1.542 208 1HG GLU 26 HG2 GLU 26 -2.898 16.591 -1.477 209 2HG GLU 26 HG1 GLU 26 -2.176 15.210 -0.652 210 H GLU 27 HN GLU 27 -1.432 13.369 -0.499 211 HA GLU 27 HA GLU 27 -0.428 11.858 -2.703 212 1HB GLU 27 HB2 GLU 27 0.711 13.612 -1.017 213 2HB GLU 27 HB1 GLU 27 1.199 12.115 -0.234 214 1HG GLU 27 HG2 GLU 27 2.961 12.356 -1.622 215 2HG GLU 27 HG1 GLU 27 1.886 11.494 -2.721 216 H ALA 28 HN ALA 28 -1.143 11.146 0.682 217 HA ALA 28 HA ALA 28 -0.040 8.585 0.822 218 1HB ALA 28 HB1 ALA 28 -1.579 8.218 2.707 219 2HB ALA 28 HB2 ALA 28 -2.443 9.691 2.269 220 3HB ALA 28 HB3 ALA 28 -0.763 9.779 2.801 221 H LEU 29 HN LEU 29 -3.143 9.688 -0.413 222 HA LEU 29 HA LEU 29 -4.411 7.196 -0.631 223 1HB LEU 29 HB2 LEU 29 -5.635 9.278 -0.847 224 2HB LEU 29 HB1 LEU 29 -4.734 9.693 -2.293 225 HG LEU 29 HG LEU 29 -5.740 7.656 -3.389 226 1HD1 LEU 29 HD11 LEU 29 -6.451 6.296 -1.640 227 2HD1 LEU 29 HD12 LEU 29 -7.950 6.978 -2.270 228 3HD1 LEU 29 HD13 LEU 29 -7.236 7.629 -0.794 229 1HD2 LEU 29 HD21 LEU 29 -7.387 9.989 -2.476 230 2HD2 LEU 29 HD22 LEU 29 -8.048 8.760 -3.553 231 3HD2 LEU 29 HD23 LEU 29 -6.645 9.703 -4.049 232 H ARG 30 HN ARG 30 -2.527 9.027 -3.033 233 HA ARG 30 HA ARG 30 -2.679 6.974 -5.008 234 1HB ARG 30 HB2 ARG 30 -1.016 9.464 -4.718 235 2HB ARG 30 HB1 ARG 30 -0.758 8.340 -6.044 236 1HG ARG 30 HG2 ARG 30 -3.456 9.517 -5.477 237 2HG ARG 30 HG1 ARG 30 -2.259 10.351 -6.471 238 1HD ARG 30 HD2 ARG 30 -2.293 7.769 -7.477 239 2HD ARG 30 HD1 ARG 30 -3.986 8.112 -7.125 240 HE ARG 30 HE ARG 30 -2.657 10.222 -8.551 241 1HH1 ARG 30 HH11 ARG 30 -4.377 7.202 -8.868 242 2HH1 ARG 30 HH12 ARG 30 -4.889 7.521 -10.490 243 1HH2 ARG 30 HH21 ARG 30 -3.330 10.643 -10.680 244 2HH2 ARG 30 HH22 ARG 30 -4.294 9.473 -11.520 245 H LEU 31 HN LEU 31 -0.463 7.749 -2.422 246 HA LEU 31 HA LEU 31 1.673 6.091 -3.308 247 1HB LEU 31 HB2 LEU 31 1.020 7.677 -0.927 248 2HB LEU 31 HB1 LEU 31 1.995 6.259 -0.594 249 HG LEU 31 HG LEU 31 3.319 8.333 -0.962 250 1HD1 LEU 31 HD11 LEU 31 5.037 7.247 -2.057 251 2HD1 LEU 31 HD12 LEU 31 3.948 6.430 -3.178 252 3HD1 LEU 31 HD13 LEU 31 4.043 5.901 -1.499 253 1HD2 LEU 31 HD21 LEU 31 3.196 9.585 -2.827 254 2HD2 LEU 31 HD22 LEU 31 1.600 8.852 -2.986 255 3HD2 LEU 31 HD23 LEU 31 2.968 8.187 -3.878 256 H TYR 32 HN TYR 32 -0.926 5.645 -0.922 257 HA TYR 32 HA TYR 32 -0.174 3.028 -0.167 258 1HB TYR 32 HB2 TYR 32 -2.468 4.813 0.279 259 2HB TYR 32 HB1 TYR 32 -2.867 3.099 0.318 260 HD1 TYR 32 HD1 TYR 32 -1.432 1.604 1.858 261 HD2 TYR 32 HD2 TYR 32 -1.564 5.846 2.161 262 HE1 TYR 32 HE1 TYR 32 -0.596 1.459 4.165 263 HE2 TYR 32 HE2 TYR 32 -0.727 5.712 4.470 264 HH TYR 32 HH TYR 32 -0.743 3.966 6.335 265 H GLN 33 HN GLN 33 -2.428 4.258 -2.599 266 HA GLN 33 HA GLN 33 -3.569 1.823 -3.360 267 1HB GLN 33 HB2 GLN 33 -3.464 4.535 -4.383 268 2HB GLN 33 HB1 GLN 33 -3.436 3.359 -5.690 269 1HG GLN 33 HG2 GLN 33 -5.434 2.285 -4.495 270 2HG GLN 33 HG1 GLN 33 -5.541 3.807 -3.612 271 1HE2 GLN 33 HE21 GLN 33 -6.389 5.562 -4.589 272 2HE2 GLN 33 HE22 GLN 33 -7.010 5.575 -6.201 273 H HIS 34 HN HIS 34 -0.506 3.282 -4.184 274 HA HIS 34 HA HIS 34 0.071 1.585 -6.400 275 1HB HIS 34 HB2 HIS 34 1.401 3.720 -4.935 276 2HB HIS 34 HB1 HIS 34 2.519 2.437 -5.386 277 HD1 HIS 34 HD1 HIS 34 3.314 2.412 -7.758 278 HD2 HIS 34 HD2 HIS 34 0.021 4.888 -7.214 279 HE1 HIS 34 HE1 HIS 34 3.020 3.628 -9.939 280 HE2 HIS 34 HE2 HIS 34 1.076 5.185 -9.557 281 H ALA 35 HN ALA 35 1.094 1.586 -2.994 282 HA ALA 35 HA ALA 35 2.747 -0.659 -3.092 283 1HB ALA 35 HB1 ALA 35 1.324 0.821 -0.964 284 2HB ALA 35 HB2 ALA 35 3.032 0.404 -1.112 285 3HB ALA 35 HB3 ALA 35 1.871 -0.809 -0.573 286 H VAL 36 HN VAL 36 -0.728 -0.395 -2.931 287 HA VAL 36 HA VAL 36 -1.204 -3.106 -2.155 288 HB VAL 36 HB VAL 36 -3.119 -1.232 -3.549 289 1HG1 VAL 36 HG11 VAL 36 -4.767 -2.708 -3.114 290 2HG1 VAL 36 HG12 VAL 36 -4.058 -3.213 -1.580 291 3HG1 VAL 36 HG13 VAL 36 -3.441 -3.870 -3.096 292 1HG2 VAL 36 HG21 VAL 36 -1.898 -0.694 -1.177 293 2HG2 VAL 36 HG22 VAL 36 -3.336 -1.562 -0.642 294 3HG2 VAL 36 HG23 VAL 36 -3.500 -0.116 -1.637 295 H GLU 37 HN GLU 37 -0.897 -1.401 -5.207 296 HA GLU 37 HA GLU 37 -1.891 -3.497 -6.850 297 1HB GLU 37 HB2 GLU 37 -0.434 -0.943 -7.282 298 2HB GLU 37 HB1 GLU 37 -0.348 -2.141 -8.567 299 1HG GLU 37 HG2 GLU 37 -3.050 -1.731 -7.559 300 2HG GLU 37 HG1 GLU 37 -2.323 -0.271 -8.231 301 H TYR 38 HN TYR 38 1.280 -2.666 -5.596 302 HA TYR 38 HA TYR 38 2.747 -4.469 -7.235 303 1HB TYR 38 HB2 TYR 38 3.322 -2.874 -4.775 304 2HB TYR 38 HB1 TYR 38 4.429 -4.172 -5.213 305 HD1 TYR 38 HD1 TYR 38 3.326 -0.812 -5.945 306 HD2 TYR 38 HD2 TYR 38 5.592 -4.093 -7.430 307 HE1 TYR 38 HE1 TYR 38 4.442 0.690 -7.540 308 HE2 TYR 38 HE2 TYR 38 6.715 -2.600 -9.029 309 HH TYR 38 HH TYR 38 6.470 0.809 -8.847 310 H PHE 39 HN PHE 39 1.149 -4.731 -4.122 311 HA PHE 39 HA PHE 39 2.291 -7.220 -3.375 312 1HB PHE 39 HB2 PHE 39 -0.051 -5.598 -2.461 313 2HB PHE 39 HB1 PHE 39 0.090 -7.270 -1.926 314 HD1 PHE 39 HD1 PHE 39 2.698 -7.805 -1.225 315 HD2 PHE 39 HD2 PHE 39 0.688 -4.065 -0.939 316 HE1 PHE 39 HE1 PHE 39 4.255 -7.108 0.548 317 HE2 PHE 39 HE2 PHE 39 2.242 -3.361 0.834 318 HZ PHE 39 HZ PHE 39 4.028 -4.883 1.579 319 H LEU 40 HN LEU 40 -0.738 -6.325 -4.985 320 HA LEU 40 HA LEU 40 -1.841 -8.899 -5.140 321 1HB LEU 40 HB2 LEU 40 -2.240 -6.337 -6.605 322 2HB LEU 40 HB1 LEU 40 -2.928 -7.795 -7.295 323 HG LEU 40 HG LEU 40 -3.492 -6.836 -4.490 324 1HD1 LEU 40 HD11 LEU 40 -4.370 -5.199 -5.996 325 2HD1 LEU 40 HD12 LEU 40 -5.709 -6.195 -5.426 326 3HD1 LEU 40 HD13 LEU 40 -5.046 -6.449 -7.040 327 1HD2 LEU 40 HD21 LEU 40 -3.770 -9.333 -5.443 328 2HD2 LEU 40 HD22 LEU 40 -5.315 -8.643 -5.942 329 3HD2 LEU 40 HD23 LEU 40 -4.848 -8.623 -4.242 330 H HIS 41 HN HIS 41 0.271 -7.139 -7.374 331 HA HIS 41 HA HIS 41 0.272 -9.154 -9.377 332 1HB HIS 41 HB2 HIS 41 0.866 -6.741 -9.744 333 2HB HIS 41 HB1 HIS 41 2.382 -7.043 -8.902 334 HD1 HIS 41 HD1 HIS 41 1.149 -6.780 -12.180 335 HD2 HIS 41 HD2 HIS 41 3.754 -9.411 -10.300 336 HE1 HIS 41 HE1 HIS 41 2.487 -7.840 -14.030 337 HE2 HIS 41 HE2 HIS 41 4.002 -9.486 -12.870 338 H ALA 42 HN ALA 42 2.169 -8.585 -6.503 339 HA ALA 42 HA ALA 42 4.333 -10.300 -7.126 340 1HB ALA 42 HB1 ALA 42 3.929 -8.504 -5.192 341 2HB ALA 42 HB2 ALA 42 5.127 -9.791 -5.065 342 3HB ALA 42 HB3 ALA 42 3.553 -9.972 -4.292 343 H ILE 43 HN ILE 43 1.311 -10.810 -5.337 344 HA ILE 43 HA ILE 43 1.847 -13.490 -4.611 345 HB ILE 43 HB ILE 43 -0.873 -12.230 -4.982 346 1HG1 ILE 43 HG12 ILE 43 0.344 -12.380 -2.289 347 2HG1 ILE 43 HG11 ILE 43 1.053 -11.200 -3.381 348 1HG2 ILE 43 HG21 ILE 43 -1.450 -13.860 -3.138 349 2HG2 ILE 43 HG22 ILE 43 0.120 -14.610 -3.427 350 3HG2 ILE 43 HG23 ILE 43 -1.091 -14.570 -4.709 351 1HD1 ILE 43 HD11 ILE 43 -1.673 -10.820 -3.661 352 2HD1 ILE 43 HD12 ILE 43 -0.557 -9.825 -2.735 353 3HD1 ILE 43 HD13 ILE 43 -1.444 -11.120 -1.938 354 H LYS 44 HN LYS 44 -0.062 -12.090 -7.268 355 HA LYS 44 HA LYS 44 -0.933 -14.490 -8.400 356 1HB LYS 44 HB2 LYS 44 -1.360 -11.870 -8.940 357 2HB LYS 44 HB1 LYS 44 -0.299 -12.300 -10.270 358 1HG LYS 44 HG2 LYS 44 -1.956 -14.330 -10.510 359 2HG LYS 44 HG1 LYS 44 -3.052 -13.230 -9.665 360 1HD LYS 44 HD2 LYS 44 -1.549 -12.040 -11.890 361 2HD LYS 44 HD1 LYS 44 -2.720 -13.280 -12.350 362 1HE LYS 44 HE2 LYS 44 -4.494 -12.080 -11.260 363 2HE LYS 44 HE1 LYS 44 -3.357 -10.910 -10.590 364 1HZ LYS 44 HZ1 LYS 44 -4.479 -11.090 -13.260 365 2HZ LYS 44 HZ2 LYS 44 -2.840 -10.680 -13.190 366 3HZ LYS 44 HZ3 LYS 44 -3.985 -9.736 -12.380 367 H TYR 45 HN TYR 45 1.922 -12.520 -9.215 368 HA TYR 45 HA TYR 45 2.884 -14.460 -11.100 369 1HB TYR 45 HB2 TYR 45 3.797 -11.820 -10.080 370 2HB TYR 45 HB1 TYR 45 5.023 -12.890 -10.750 371 HD1 TYR 45 HD1 TYR 45 1.524 -11.940 -11.680 372 HD2 TYR 45 HD2 TYR 45 5.565 -12.390 -12.930 373 HE1 TYR 45 HE1 TYR 45 0.897 -11.220 -13.950 374 HE2 TYR 45 HE2 TYR 45 4.949 -11.680 -15.200 375 HH TYR 45 HH TYR 45 1.714 -11.430 -16.240 376 H GLU 46 HN GLU 46 4.350 -13.170 -8.115 377 HA GLU 46 HA GLU 46 5.826 -15.690 -7.832 378 1HB GLU 46 HB2 GLU 46 6.199 -12.920 -6.735 379 2HB GLU 46 HB1 GLU 46 6.968 -14.290 -5.950 380 1HG GLU 46 HG2 GLU 46 7.578 -14.640 -8.622 381 2HG GLU 46 HG1 GLU 46 7.691 -12.900 -8.381 382 H ALA 47 HN ALA 47 4.255 -17.040 -6.990 383 HA ALA 47 HA ALA 47 2.854 -16.260 -4.562 384 1HB ALA 47 HB1 ALA 47 2.646 -18.580 -6.434 385 2HB ALA 47 HB2 ALA 47 1.420 -17.400 -5.984 386 3HB ALA 47 HB3 ALA 47 1.905 -18.650 -4.836 387 H HIS 48 HN HIS 48 3.029 -17.340 -2.584 388 HA HIS 48 HA HIS 48 5.379 -19.090 -2.293 389 1HB HIS 48 HB2 HIS 48 4.947 -16.490 -1.140 390 2HB HIS 48 HB1 HIS 48 5.029 -17.690 0.142 391 HD1 HIS 48 HD1 HIS 48 7.274 -19.050 0.337 392 HD2 HIS 48 HD2 HIS 48 7.346 -15.910 -2.382 393 HE1 HIS 48 HE1 HIS 48 9.705 -18.660 -0.170 394 HE2 HIS 48 HE2 HIS 48 9.719 -16.810 -1.884 395 H SER 49 HN SER 49 5.166 -19.660 0.382 396 HA SER 49 HA SER 49 3.192 -21.670 0.407 397 1HB SER 49 HB2 SER 49 5.148 -20.570 2.356 398 2HB SER 49 HB1 SER 49 3.786 -21.470 3.024 399 HG SER 49 HG SER 49 5.855 -22.610 2.291 400 H ASP 50 HN ASP 50 1.559 -21.880 2.229 401 HA ASP 50 HA ASP 50 -0.413 -19.920 1.958 402 1HB ASP 50 HB2 ASP 50 -0.305 -22.460 3.003 403 2HB ASP 50 HB1 ASP 50 -0.585 -21.480 4.439 404 H LYS 51 HN LYS 51 2.137 -20.300 4.326 405 HA LYS 51 HA LYS 51 1.166 -18.480 6.251 406 1HB LYS 51 HB2 LYS 51 3.016 -20.160 6.573 407 2HB LYS 51 HB1 LYS 51 4.063 -19.090 5.655 408 1HG LYS 51 HG2 LYS 51 3.594 -17.310 7.345 409 2HG LYS 51 HG1 LYS 51 2.748 -18.530 8.301 410 1HD LYS 51 HD2 LYS 51 4.694 -19.710 8.759 411 2HD LYS 51 HD1 LYS 51 5.547 -19.030 7.368 412 1HE LYS 51 HE2 LYS 51 6.037 -17.060 8.452 413 2HE LYS 51 HE1 LYS 51 4.660 -17.200 9.545 414 1HZ LYS 51 HZ1 LYS 51 6.061 -19.300 10.318 415 2HZ LYS 51 HZ2 LYS 51 6.287 -17.760 10.983 416 3HZ LYS 51 HZ3 LYS 51 7.335 -18.320 9.780 417 H ALA 52 HN ALA 52 3.485 -18.050 3.584 418 HA ALA 52 HA ALA 52 3.785 -15.250 4.040 419 1HB ALA 52 HB1 ALA 52 4.770 -17.220 2.068 420 2HB ALA 52 HB2 ALA 52 5.640 -15.970 2.966 421 3HB ALA 52 HB3 ALA 52 4.702 -15.530 1.538 422 H LYS 53 HN LYS 53 1.686 -17.230 2.073 423 HA LYS 53 HA LYS 53 0.756 -15.130 0.384 424 1HB LYS 53 HB2 LYS 53 0.598 -17.800 0.225 425 2HB LYS 53 HB1 LYS 53 -0.983 -17.480 0.922 426 1HG LYS 53 HG2 LYS 53 -1.548 -16.030 -0.926 427 2HG LYS 53 HG1 LYS 53 0.071 -16.220 -1.601 428 1HD LYS 53 HD2 LYS 53 -0.863 -17.860 -2.822 429 2HD LYS 53 HD1 LYS 53 -0.704 -18.810 -1.347 430 1HE LYS 53 HE2 LYS 53 -2.923 -18.810 -0.952 431 2HE LYS 53 HE1 LYS 53 -3.121 -17.150 -1.507 432 1HZ LYS 53 HZ1 LYS 53 -3.348 -19.640 -2.987 433 2HZ LYS 53 HZ2 LYS 53 -2.588 -18.370 -3.804 434 3HZ LYS 53 HZ3 LYS 53 -4.157 -18.170 -3.207 435 H GLU 54 HN GLU 54 -0.255 -16.450 3.469 436 HA GLU 54 HA GLU 54 -2.766 -15.120 3.569 437 1HB GLU 54 HB2 GLU 54 -1.134 -16.780 5.362 438 2HB GLU 54 HB1 GLU 54 -2.111 -15.570 6.191 439 1HG GLU 54 HG2 GLU 54 -4.071 -16.450 4.844 440 2HG GLU 54 HG1 GLU 54 -3.026 -17.810 4.409 441 H SER 55 HN SER 55 0.459 -14.380 4.820 442 HA SER 55 HA SER 55 -0.209 -12.120 6.319 443 1HB SER 55 HB2 SER 55 2.331 -13.000 4.967 444 2HB SER 55 HB1 SER 55 2.244 -11.470 5.843 445 HG SER 55 HG SER 55 2.606 -12.640 7.543 446 H ILE 56 HN ILE 56 0.758 -12.430 2.922 447 HA ILE 56 HA ILE 56 0.696 -9.639 2.389 448 HB ILE 56 HB ILE 56 0.425 -11.870 0.383 449 1HG1 ILE 56 HG12 ILE 56 3.025 -10.540 1.049 450 2HG1 ILE 56 HG11 ILE 56 2.450 -11.870 2.054 451 1HG2 ILE 56 HG21 ILE 56 1.778 -9.285 -0.160 452 2HG2 ILE 56 HG22 ILE 56 0.016 -9.334 -0.144 453 3HG2 ILE 56 HG23 ILE 56 0.916 -10.360 -1.259 454 1HD1 ILE 56 HD11 ILE 56 3.554 -11.890 -0.659 455 2HD1 ILE 56 HD12 ILE 56 2.157 -12.940 -0.407 456 3HD1 ILE 56 HD13 ILE 56 3.593 -13.130 0.600 457 H ARG 57 HN ARG 57 -1.578 -12.290 1.762 458 HA ARG 57 HA ARG 57 -3.533 -10.810 0.419 459 1HB ARG 57 HB2 ARG 57 -3.292 -13.380 0.837 460 2HB ARG 57 HB1 ARG 57 -4.270 -13.060 2.262 461 1HG ARG 57 HG2 ARG 57 -5.991 -13.440 0.886 462 2HG ARG 57 HG1 ARG 57 -5.708 -11.780 0.354 463 1HD ARG 57 HD2 ARG 57 -4.288 -12.600 -1.456 464 2HD ARG 57 HD1 ARG 57 -4.539 -14.260 -0.915 465 HE ARG 57 HE ARG 57 -6.598 -14.240 -1.921 466 1HH1 ARG 57 HH11 ARG 57 -5.413 -10.970 -1.711 467 2HH1 ARG 57 HH12 ARG 57 -6.672 -10.320 -2.705 468 1HH2 ARG 57 HH21 ARG 57 -8.255 -13.390 -3.229 469 2HH2 ARG 57 HH22 ARG 57 -8.285 -11.690 -3.567 470 H ALA 58 HN ALA 58 -3.211 -11.540 3.884 471 HA ALA 58 HA ALA 58 -5.551 -10.160 4.674 472 1HB ALA 58 HB1 ALA 58 -4.691 -10.360 6.938 473 2HB ALA 58 HB2 ALA 58 -3.101 -10.800 6.313 474 3HB ALA 58 HB3 ALA 58 -4.474 -11.870 6.059 475 H LYS 59 HN LYS 59 -2.264 -9.150 4.082 476 HA LYS 59 HA LYS 59 -2.436 -6.645 5.423 477 1HB LYS 59 HB2 LYS 59 -0.513 -8.017 3.662 478 2HB LYS 59 HB1 LYS 59 -0.486 -6.262 3.558 479 1HG LYS 59 HG2 LYS 59 -0.218 -6.181 6.027 480 2HG LYS 59 HG1 LYS 59 -0.082 -7.940 6.023 481 1HD LYS 59 HD2 LYS 59 1.754 -7.368 4.166 482 2HD LYS 59 HD1 LYS 59 1.837 -5.878 5.107 483 1HE LYS 59 HE2 LYS 59 3.332 -7.073 6.311 484 2HE LYS 59 HE1 LYS 59 1.872 -7.661 7.105 485 1HZ LYS 59 HZ1 LYS 59 3.238 -9.516 6.540 486 2HZ LYS 59 HZ2 LYS 59 3.384 -9.007 4.934 487 3HZ LYS 59 HZ3 LYS 59 1.890 -9.542 5.518 488 H CYS 60 HN CYS 60 -3.113 -7.737 2.153 489 HA CYS 60 HA CYS 60 -3.363 -5.191 0.959 490 1HB CYS 60 HB2 CYS 60 -4.540 -7.874 0.226 491 2HB CYS 60 HB1 CYS 60 -4.711 -6.436 -0.775 492 HG CYS 60 HG CYS 60 -2.540 -6.968 -1.744 493 H VAL 61 HN VAL 61 -5.617 -7.240 2.710 494 HA VAL 61 HA VAL 61 -7.980 -5.843 2.059 495 HB VAL 61 HB VAL 61 -7.440 -7.376 4.604 496 1HG1 VAL 61 HG11 VAL 61 -9.474 -6.445 5.010 497 2HG1 VAL 61 HG12 VAL 61 -10.000 -7.847 4.080 498 3HG1 VAL 61 HG13 VAL 61 -9.863 -6.273 3.298 499 1HG2 VAL 61 HG21 VAL 61 -7.628 -9.338 3.522 500 2HG2 VAL 61 HG22 VAL 61 -7.147 -8.405 2.106 501 3HG2 VAL 61 HG23 VAL 61 -8.854 -8.723 2.413 502 H GLN 62 HN GLN 62 -5.844 -5.625 4.900 503 HA GLN 62 HA GLN 62 -7.288 -3.498 6.108 504 1HB GLN 62 HB2 GLN 62 -5.514 -5.201 7.082 505 2HB GLN 62 HB1 GLN 62 -4.387 -3.915 6.672 506 1HG GLN 62 HG2 GLN 62 -4.961 -2.740 8.458 507 2HG GLN 62 HG1 GLN 62 -6.675 -2.863 8.067 508 1HE2 GLN 62 HE21 GLN 62 -7.836 -4.709 8.817 509 2HE2 GLN 62 HE22 GLN 62 -7.310 -5.558 10.226 510 H TYR 63 HN TYR 63 -4.700 -3.652 3.776 511 HA TYR 63 HA TYR 63 -3.846 -0.952 4.015 512 1HB TYR 63 HB2 TYR 63 -3.434 -3.157 2.052 513 2HB TYR 63 HB1 TYR 63 -3.074 -1.515 1.529 514 HD1 TYR 63 HD1 TYR 63 -1.396 -4.218 2.360 515 HD2 TYR 63 HD2 TYR 63 -1.933 -0.297 3.920 516 HE1 TYR 63 HE1 TYR 63 0.801 -4.359 3.455 517 HE2 TYR 63 HE2 TYR 63 0.263 -0.427 5.018 518 HH TYR 63 HH TYR 63 2.554 -2.765 4.281 519 H LEU 64 HN LEU 64 -6.294 -2.579 2.084 520 HA LEU 64 HA LEU 64 -6.863 -0.330 0.419 521 1HB LEU 64 HB2 LEU 64 -8.144 -2.975 0.943 522 2HB LEU 64 HB1 LEU 64 -9.070 -1.737 0.114 523 HG LEU 64 HG LEU 64 -6.355 -2.315 -0.938 524 1HD1 LEU 64 HD11 LEU 64 -8.693 -4.156 -1.412 525 2HD1 LEU 64 HD12 LEU 64 -7.264 -4.551 -0.458 526 3HD1 LEU 64 HD13 LEU 64 -7.111 -4.242 -2.187 527 1HD2 LEU 64 HD21 LEU 64 -7.358 -0.755 -2.256 528 2HD2 LEU 64 HD22 LEU 64 -8.983 -1.349 -1.915 529 3HD2 LEU 64 HD23 LEU 64 -7.951 -2.212 -3.057 530 H ASP 65 HN ASP 65 -7.991 -1.455 3.520 531 HA ASP 65 HA ASP 65 -10.370 0.061 3.653 532 1HB ASP 65 HB2 ASP 65 -8.835 -1.639 5.410 533 2HB ASP 65 HB1 ASP 65 -9.388 -0.209 6.276 534 H ARG 66 HN ARG 66 -7.020 0.805 4.371 535 HA ARG 66 HA ARG 66 -7.595 3.294 5.675 536 1HB ARG 66 HB2 ARG 66 -5.521 1.865 6.011 537 2HB ARG 66 HB1 ARG 66 -4.964 2.465 4.456 538 1HG ARG 66 HG2 ARG 66 -3.920 3.847 6.007 539 2HG ARG 66 HG1 ARG 66 -5.294 4.801 5.446 540 1HD ARG 66 HD2 ARG 66 -5.219 5.024 7.807 541 2HD ARG 66 HD1 ARG 66 -6.567 3.950 7.437 542 HE ARG 66 HE ARG 66 -5.480 2.259 8.533 543 1HH1 ARG 66 HH11 ARG 66 -3.217 4.842 7.912 544 2HH1 ARG 66 HH12 ARG 66 -1.960 4.139 8.874 545 1HH2 ARG 66 HH21 ARG 66 -3.829 1.335 9.800 546 2HH2 ARG 66 HH22 ARG 66 -2.307 2.148 9.947 547 H ALA 67 HN ALA 67 -6.898 2.264 2.407 548 HA ALA 67 HA ALA 67 -6.227 4.734 1.272 549 1HB ALA 67 HB1 ALA 67 -5.789 2.934 -0.105 550 2HB ALA 67 HB2 ALA 67 -7.235 3.616 -0.848 551 3HB ALA 67 HB3 ALA 67 -7.362 2.192 0.187 552 H GLU 68 HN GLU 68 -9.359 3.251 1.913 553 HA GLU 68 HA GLU 68 -10.870 5.228 0.516 554 1HB GLU 68 HB2 GLU 68 -11.430 2.868 2.184 555 2HB GLU 68 HB1 GLU 68 -12.640 4.135 2.277 556 1HG GLU 68 HG2 GLU 68 -13.440 2.851 0.557 557 2HG GLU 68 HG1 GLU 68 -12.520 4.075 -0.317 558 H LYS 69 HN LYS 69 -10.140 4.646 3.944 559 HA LYS 69 HA LYS 69 -11.630 6.782 4.987 560 1HB LYS 69 HB2 LYS 69 -10.660 4.888 6.303 561 2HB LYS 69 HB1 LYS 69 -9.081 5.625 6.123 562 1HG LYS 69 HG2 LYS 69 -10.640 7.674 7.113 563 2HG LYS 69 HG1 LYS 69 -11.210 6.244 7.977 564 1HD LYS 69 HD2 LYS 69 -8.525 5.897 8.091 565 2HD LYS 69 HD1 LYS 69 -8.646 7.657 8.141 566 1HE LYS 69 HE2 LYS 69 -10.190 7.498 10.024 567 2HE LYS 69 HE1 LYS 69 -10.090 5.739 9.967 568 1HZ LYS 69 HZ1 LYS 69 -7.577 6.179 10.253 569 2HZ LYS 69 HZ2 LYS 69 -8.589 6.280 11.604 570 3HZ LYS 69 HZ3 LYS 69 -8.066 7.691 10.831 571 H LEU 70 HN LEU 70 -8.480 6.670 3.497 572 HA LEU 70 HA LEU 70 -7.594 9.216 4.432 573 1HB LEU 70 HB2 LEU 70 -6.699 7.437 2.172 574 2HB LEU 70 HB1 LEU 70 -5.936 8.977 2.523 575 HG LEU 70 HG LEU 70 -6.159 6.842 4.624 576 1HD1 LEU 70 HD11 LEU 70 -4.372 6.946 2.274 577 2HD1 LEU 70 HD12 LEU 70 -4.937 5.565 3.214 578 3HD1 LEU 70 HD13 LEU 70 -3.623 6.571 3.825 579 1HD2 LEU 70 HD21 LEU 70 -4.247 8.002 5.575 580 2HD2 LEU 70 HD22 LEU 70 -5.586 9.123 5.325 581 3HD2 LEU 70 HD23 LEU 70 -4.220 9.116 4.209 582 H LYS 71 HN LYS 71 -8.920 8.089 1.325 583 HA LYS 71 HA LYS 71 -8.933 10.637 0.102 584 1HB LYS 71 HB2 LYS 71 -10.440 9.593 -1.556 585 2HB LYS 71 HB1 LYS 71 -9.014 8.626 -1.240 586 1HG LYS 71 HG2 LYS 71 -10.190 6.979 -0.156 587 2HG LYS 71 HG1 LYS 71 -11.510 8.065 0.284 588 1HD LYS 71 HD2 LYS 71 -12.530 6.899 -1.388 589 2HD LYS 71 HD1 LYS 71 -11.790 8.182 -2.348 590 1HE LYS 71 HE2 LYS 71 -9.980 6.765 -2.975 591 2HE LYS 71 HE1 LYS 71 -10.480 5.520 -1.835 592 1HZ LYS 71 HZ1 LYS 71 -11.060 5.215 -4.286 593 2HZ LYS 71 HZ2 LYS 71 -12.260 6.384 -4.028 594 3HZ LYS 71 HZ3 LYS 71 -12.290 4.938 -3.150 595 H ASP 72 HN ASP 72 -11.200 8.968 2.165 596 HA ASP 72 HA ASP 72 -13.420 10.681 1.632 597 1HB ASP 72 HB2 ASP 72 -12.790 8.552 3.622 598 2HB ASP 72 HB1 ASP 72 -14.100 9.662 3.991 599 H TYR 73 HN TYR 73 -10.700 10.781 3.805 600 HA TYR 73 HA TYR 73 -11.760 12.735 5.586 601 1HB TYR 73 HB2 TYR 73 -9.934 11.253 6.252 602 2HB TYR 73 HB1 TYR 73 -8.897 11.963 5.020 603 HD1 TYR 73 HD1 TYR 73 -8.191 14.358 5.249 604 HD2 TYR 73 HD2 TYR 73 -10.190 12.278 8.372 605 HE1 TYR 73 HE1 TYR 73 -7.435 16.056 6.858 606 HE2 TYR 73 HE2 TYR 73 -9.448 13.971 9.990 607 HH TYR 73 HH TYR 73 -7.733 15.638 10.251 608 H LEU 74 HN LEU 74 -9.526 12.906 2.830 609 HA LEU 74 HA LEU 74 -9.215 15.730 2.966 610 1HB LEU 74 HB2 LEU 74 -8.189 15.498 0.730 611 2HB LEU 74 HB1 LEU 74 -7.512 14.402 1.918 612 HG LEU 74 HG LEU 74 -9.423 12.819 0.812 613 1HD1 LEU 74 HD11 LEU 74 -9.463 13.094 -1.555 614 2HD1 LEU 74 HD12 LEU 74 -8.315 14.432 -1.476 615 3HD1 LEU 74 HD13 LEU 74 -9.945 14.627 -0.829 616 1HD2 LEU 74 HD21 LEU 74 -7.411 11.793 0.961 617 2HD2 LEU 74 HD22 LEU 74 -6.521 13.213 0.409 618 3HD2 LEU 74 HD23 LEU 74 -7.354 12.185 -0.758 619 H ARG 75 HN ARG 75 -11.270 13.584 1.041 620 HA ARG 75 HA ARG 75 -12.360 15.521 -0.657 621 1HB ARG 75 HB2 ARG 75 -13.150 12.800 0.242 622 2HB ARG 75 HB1 ARG 75 -14.400 13.793 -0.502 623 1HG ARG 75 HG2 ARG 75 -12.720 14.148 -2.402 624 2HG ARG 75 HG1 ARG 75 -11.840 12.797 -1.695 625 1HD ARG 75 HD2 ARG 75 -13.160 11.685 -3.199 626 2HD ARG 75 HD1 ARG 75 -14.190 11.631 -1.772 627 HE ARG 75 HE ARG 75 -14.590 13.246 -4.169 628 1HH1 ARG 75 HH11 ARG 75 -15.660 12.389 -0.951 629 2HH1 ARG 75 HH12 ARG 75 -17.230 13.078 -1.161 630 1HH2 ARG 75 HH21 ARG 75 -16.660 14.147 -4.436 631 2HH2 ARG 75 HH22 ARG 75 -17.800 14.072 -3.137 632 H SER 76 HN SER 76 -13.680 14.191 2.376 633 HA SER 76 HA SER 76 -15.940 15.825 2.501 634 1HB SER 76 HB2 SER 76 -15.080 13.755 3.975 635 2HB SER 76 HB1 SER 76 -14.640 15.070 5.064 636 HG SER 76 HG SER 76 -16.900 15.798 4.695 637 H LYS 77 HN LYS 77 -12.850 16.218 4.234 638 HA LYS 77 HA LYS 77 -13.470 18.773 5.265 639 1HB LYS 77 HB2 LYS 77 -11.440 16.933 5.620 640 2HB LYS 77 HB1 LYS 77 -10.620 18.291 4.861 641 1HG LYS 77 HG2 LYS 77 -10.450 19.125 6.916 642 2HG LYS 77 HG1 LYS 77 -12.170 19.517 6.765 643 1HD LYS 77 HD2 LYS 77 -12.700 17.286 7.731 644 2HD LYS 77 HD1 LYS 77 -10.970 17.037 7.999 645 1HE LYS 77 HE2 LYS 77 -11.260 18.004 9.985 646 2HE LYS 77 HE1 LYS 77 -11.470 19.522 9.111 647 1HZ LYS 77 HZ1 LYS 77 -13.790 19.308 9.172 648 2HZ LYS 77 HZ2 LYS 77 -13.280 18.897 10.731 649 3HZ LYS 77 HZ3 LYS 77 -13.730 17.684 9.643 Start of MODEL 9 1 1H MET 1 HT1 MET 1 22.940 -3.765 -7.340 2 2H MET 1 HT2 MET 1 22.935 -4.855 -6.015 3 3H MET 1 HT3 MET 1 23.516 -3.254 -5.808 4 HA MET 1 HA MET 1 21.362 -3.474 -4.872 5 1HB MET 1 HB2 MET 1 21.833 -1.811 -7.315 6 2HB MET 1 HB1 MET 1 20.251 -1.763 -6.548 7 1HG MET 1 HG2 MET 1 21.239 -1.034 -4.470 8 2HG MET 1 HG1 MET 1 22.855 -1.182 -5.157 9 1HE MET 1 HE1 MET 1 21.527 1.690 -3.793 10 2HE MET 1 HE2 MET 1 20.037 0.893 -4.296 11 3HE MET 1 HE3 MET 1 20.451 2.480 -4.946 12 H THR 2 HN THR 2 19.291 -4.230 -4.946 13 HA THR 2 HA THR 2 18.113 -5.157 -7.410 14 HB THR 2 HB THR 2 18.491 -7.209 -5.240 15 HG1 THR 2 HG1 THR 2 20.544 -6.894 -5.868 16 1HG2 THR 2 HG21 THR 2 17.623 -7.302 -8.099 17 2HG2 THR 2 HG22 THR 2 16.823 -7.953 -6.668 18 3HG2 THR 2 HG23 THR 2 18.281 -8.725 -7.290 19 H THR 3 HN THR 3 16.002 -4.771 -7.326 20 HA THR 3 HA THR 3 14.715 -4.617 -4.678 21 HB THR 3 HB THR 3 13.956 -3.056 -7.153 22 HG1 THR 3 HG1 THR 3 14.932 -1.309 -6.109 23 1HG2 THR 3 HG21 THR 3 12.430 -1.886 -5.903 24 2HG2 THR 3 HG22 THR 3 13.190 -2.318 -4.371 25 3HG2 THR 3 HG23 THR 3 12.246 -3.516 -5.257 26 H SER 4 HN SER 4 13.043 -5.927 -4.328 27 HA SER 4 HA SER 4 12.003 -7.473 -6.589 28 1HB SER 4 HB2 SER 4 12.797 -8.220 -4.018 29 2HB SER 4 HB1 SER 4 11.036 -8.307 -3.978 30 HG SER 4 HG SER 4 11.137 -9.652 -5.819 31 H THR 5 HN THR 5 9.584 -8.247 -5.927 32 HA THR 5 HA THR 5 8.008 -5.867 -6.219 33 HB THR 5 HB THR 5 6.796 -8.560 -5.741 34 HG1 THR 5 HG1 THR 5 7.267 -9.158 -7.840 35 1HG2 THR 5 HG21 THR 5 5.467 -6.455 -6.285 36 2HG2 THR 5 HG22 THR 5 5.142 -7.902 -7.241 37 3HG2 THR 5 HG23 THR 5 6.136 -6.608 -7.910 38 H LEU 6 HN LEU 6 8.717 -8.125 -3.649 39 HA LEU 6 HA LEU 6 6.615 -7.298 -1.913 40 1HB LEU 6 HB2 LEU 6 8.923 -9.098 -1.799 41 2HB LEU 6 HB1 LEU 6 8.565 -8.323 -0.267 42 HG LEU 6 HG LEU 6 7.481 -10.510 -0.473 43 1HD1 LEU 6 HD11 LEU 6 6.480 -8.636 0.845 44 2HD1 LEU 6 HD12 LEU 6 5.333 -9.865 0.312 45 3HD1 LEU 6 HD13 LEU 6 5.425 -8.319 -0.532 46 1HD2 LEU 6 HD21 LEU 6 7.169 -10.510 -2.904 47 2HD2 LEU 6 HD22 LEU 6 5.949 -9.252 -2.744 48 3HD2 LEU 6 HD23 LEU 6 5.661 -10.850 -2.054 49 H GLN 7 HN GLN 7 10.055 -6.474 -2.179 50 HA GLN 7 HA GLN 7 10.101 -4.724 0.047 51 1HB GLN 7 HB2 GLN 7 11.896 -5.120 -2.330 52 2HB GLN 7 HB1 GLN 7 12.188 -3.816 -1.188 53 1HG GLN 7 HG2 GLN 7 12.005 -6.723 -0.438 54 2HG GLN 7 HG1 GLN 7 13.511 -5.863 -0.752 55 1HE2 GLN 7 HE21 GLN 7 13.830 -3.865 0.578 56 2HE2 GLN 7 HE22 GLN 7 13.359 -3.939 2.238 57 H LYS 8 HN LYS 8 9.247 -4.321 -3.313 58 HA LYS 8 HA LYS 8 9.395 -1.520 -3.474 59 1HB LYS 8 HB2 LYS 8 7.850 -3.614 -4.968 60 2HB LYS 8 HB1 LYS 8 7.552 -1.910 -5.277 61 1HG LYS 8 HG2 LYS 8 10.380 -2.686 -5.307 62 2HG LYS 8 HG1 LYS 8 9.390 -3.416 -6.572 63 1HD LYS 8 HD2 LYS 8 8.511 -0.975 -6.886 64 2HD LYS 8 HD1 LYS 8 10.010 -0.537 -6.066 65 1HE LYS 8 HE2 LYS 8 11.327 -1.263 -7.789 66 2HE LYS 8 HE1 LYS 8 10.155 -2.470 -8.319 67 1HZ LYS 8 HZ1 LYS 8 10.004 -0.899 -9.965 68 2HZ LYS 8 HZ2 LYS 8 10.257 0.406 -8.920 69 3HZ LYS 8 HZ3 LYS 8 8.764 -0.389 -8.934 70 H ALA 9 HN ALA 9 6.713 -3.669 -2.589 71 HA ALA 9 HA ALA 9 4.777 -1.656 -2.238 72 1HB ALA 9 HB1 ALA 9 3.407 -3.305 -1.331 73 2HB ALA 9 HB2 ALA 9 4.769 -4.208 -0.668 74 3HB ALA 9 HB3 ALA 9 4.475 -4.205 -2.407 75 H ILE 10 HN ILE 10 7.213 -2.990 -0.089 76 HA ILE 10 HA ILE 10 6.234 -1.847 2.309 77 HB ILE 10 HB ILE 10 9.097 -2.558 1.662 78 1HG1 ILE 10 HG12 ILE 10 7.195 -4.358 3.123 79 2HG1 ILE 10 HG11 ILE 10 7.201 -4.342 1.362 80 1HG2 ILE 10 HG21 ILE 10 8.818 -1.188 3.671 81 2HG2 ILE 10 HG22 ILE 10 9.343 -2.824 4.070 82 3HG2 ILE 10 HG23 ILE 10 7.658 -2.357 4.305 83 1HD1 ILE 10 HD11 ILE 10 9.035 -5.591 3.208 84 2HD1 ILE 10 HD12 ILE 10 9.872 -4.565 2.044 85 3HD1 ILE 10 HD13 ILE 10 8.811 -5.857 1.479 86 H ASP 11 HN ASP 11 8.206 -0.623 -0.294 87 HA ASP 11 HA ASP 11 9.212 1.646 1.122 88 1HB ASP 11 HB2 ASP 11 9.922 0.437 -1.192 89 2HB ASP 11 HB1 ASP 11 8.994 1.794 -1.826 90 H LEU 12 HN LEU 12 6.336 0.955 -0.724 91 HA LEU 12 HA LEU 12 5.556 3.695 -1.055 92 1HB LEU 12 HB2 LEU 12 4.304 1.037 -1.566 93 2HB LEU 12 HB1 LEU 12 3.266 2.447 -1.490 94 HG LEU 12 HG LEU 12 3.852 1.963 -3.791 95 1HD1 LEU 12 HD11 LEU 12 3.729 4.358 -2.834 96 2HD1 LEU 12 HD12 LEU 12 4.390 4.118 -4.451 97 3HD1 LEU 12 HD13 LEU 12 5.475 4.375 -3.083 98 1HD2 LEU 12 HD21 LEU 12 6.264 2.282 -4.484 99 2HD2 LEU 12 HD22 LEU 12 5.896 0.794 -3.610 100 3HD2 LEU 12 HD23 LEU 12 6.677 2.137 -2.776 101 H VAL 13 HN VAL 13 4.902 1.141 1.265 102 HA VAL 13 HA VAL 13 2.778 2.476 2.609 103 HB VAL 13 HB VAL 13 4.609 0.354 3.734 104 1HG1 VAL 13 HG11 VAL 13 2.123 1.654 4.647 105 2HG1 VAL 13 HG12 VAL 13 3.437 0.934 5.577 106 3HG1 VAL 13 HG13 VAL 13 2.206 -0.096 4.847 107 1HG2 VAL 13 HG21 VAL 13 3.297 -0.047 1.482 108 2HG2 VAL 13 HG22 VAL 13 1.941 -0.287 2.583 109 3HG2 VAL 13 HG23 VAL 13 3.381 -1.294 2.727 110 H THR 14 HN THR 14 6.259 2.534 2.882 111 HA THR 14 HA THR 14 6.310 3.845 5.432 112 HB THR 14 HB THR 14 8.512 3.696 3.367 113 HG1 THR 14 HG1 THR 14 8.916 1.726 4.027 114 1HG2 THR 14 HG21 THR 14 8.617 4.031 6.355 115 2HG2 THR 14 HG22 THR 14 9.031 5.246 5.145 116 3HG2 THR 14 HG23 THR 14 10.010 3.786 5.300 117 H LYS 15 HN LYS 15 6.525 4.861 2.060 118 HA LYS 15 HA LYS 15 7.103 7.592 2.654 119 1HB LYS 15 HB2 LYS 15 7.279 6.083 0.409 120 2HB LYS 15 HB1 LYS 15 5.789 6.959 0.083 121 1HG LYS 15 HG2 LYS 15 6.868 9.039 0.146 122 2HG LYS 15 HG1 LYS 15 8.303 8.364 0.920 123 1HD LYS 15 HD2 LYS 15 9.176 7.643 -1.033 124 2HD LYS 15 HD1 LYS 15 7.601 7.183 -1.684 125 1HE LYS 15 HE2 LYS 15 7.146 9.665 -1.943 126 2HE LYS 15 HE1 LYS 15 8.859 9.915 -1.610 127 1HZ LYS 15 HZ1 LYS 15 7.880 9.568 -4.051 128 2HZ LYS 15 HZ2 LYS 15 8.231 7.959 -3.665 129 3HZ LYS 15 HZ3 LYS 15 9.455 9.126 -3.617 130 H ALA 16 HN ALA 16 4.194 5.707 2.292 131 HA ALA 16 HA ALA 16 2.431 7.947 2.002 132 1HB ALA 16 HB1 ALA 16 0.790 6.421 1.705 133 2HB ALA 16 HB2 ALA 16 1.356 5.393 3.022 134 3HB ALA 16 HB3 ALA 16 2.159 5.338 1.453 135 H THR 17 HN THR 17 3.305 5.784 4.682 136 HA THR 17 HA THR 17 1.585 6.840 6.609 137 HB THR 17 HB THR 17 2.761 4.752 6.969 138 HG1 THR 17 HG1 THR 17 2.201 5.890 8.839 139 1HG2 THR 17 HG21 THR 17 5.129 4.679 7.548 140 2HG2 THR 17 HG22 THR 17 5.279 6.389 7.142 141 3HG2 THR 17 HG23 THR 17 4.878 5.215 5.888 142 H GLU 18 HN GLU 18 4.884 7.785 5.729 143 HA GLU 18 HA GLU 18 5.171 9.760 7.737 144 1HB GLU 18 HB2 GLU 18 7.088 10.538 6.423 145 2HB GLU 18 HB1 GLU 18 7.097 8.787 6.586 146 1HG GLU 18 HG2 GLU 18 6.120 8.612 4.324 147 2HG GLU 18 HG1 GLU 18 6.245 10.364 4.169 148 H GLU 19 HN GLU 19 3.763 9.772 4.543 149 HA GLU 19 HA GLU 19 3.651 12.607 4.258 150 1HB GLU 19 HB2 GLU 19 2.426 10.278 2.838 151 2HB GLU 19 HB1 GLU 19 1.793 11.890 2.539 152 1HG GLU 19 HG2 GLU 19 4.704 11.204 2.266 153 2HG GLU 19 HG1 GLU 19 3.551 11.065 0.939 154 H ASP 20 HN ASP 20 1.364 10.141 5.365 155 HA ASP 20 HA ASP 20 -0.918 11.691 5.616 156 1HB ASP 20 HB2 ASP 20 -0.597 9.163 6.008 157 2HB ASP 20 HB1 ASP 20 -0.174 9.608 7.658 158 H LYS 21 HN LYS 21 1.822 11.374 7.813 159 HA LYS 21 HA LYS 21 0.644 12.959 9.884 160 1HB LYS 21 HB2 LYS 21 3.320 11.748 9.374 161 2HB LYS 21 HB1 LYS 21 3.214 13.053 10.547 162 1HG LYS 21 HG2 LYS 21 2.110 11.793 12.059 163 2HG LYS 21 HG1 LYS 21 1.227 10.892 10.825 164 1HD LYS 21 HD2 LYS 21 3.080 9.477 10.402 165 2HD LYS 21 HD1 LYS 21 4.171 10.515 11.322 166 1HE LYS 21 HE2 LYS 21 1.850 8.983 12.488 167 2HE LYS 21 HE1 LYS 21 3.529 8.450 12.530 168 1HZ LYS 21 HZ1 LYS 21 3.157 9.475 14.579 169 2HZ LYS 21 HZ2 LYS 21 2.313 10.771 13.898 170 3HZ LYS 21 HZ3 LYS 21 3.985 10.646 13.681 171 H ALA 22 HN ALA 22 2.355 13.640 6.972 172 HA ALA 22 HA ALA 22 3.016 16.354 7.831 173 1HB ALA 22 HB1 ALA 22 4.698 15.025 6.599 174 2HB ALA 22 HB2 ALA 22 4.278 16.532 5.784 175 3HB ALA 22 HB3 ALA 22 3.620 15.002 5.205 176 H LYS 23 HN LYS 23 0.222 15.390 7.348 177 HA LYS 23 HA LYS 23 -1.713 16.134 6.411 178 1HB LYS 23 HB2 LYS 23 0.036 18.570 6.126 179 2HB LYS 23 HB1 LYS 23 -1.652 18.573 5.637 180 1HG LYS 23 HG2 LYS 23 -1.176 17.556 8.342 181 2HG LYS 23 HG1 LYS 23 -0.743 19.249 8.102 182 1HD LYS 23 HD2 LYS 23 -2.887 19.890 7.920 183 2HD LYS 23 HD1 LYS 23 -3.312 18.502 6.916 184 1HE LYS 23 HE2 LYS 23 -4.200 17.432 8.654 185 2HE LYS 23 HE1 LYS 23 -2.744 17.674 9.618 186 1HZ LYS 23 HZ1 LYS 23 -4.844 18.673 10.524 187 2HZ LYS 23 HZ2 LYS 23 -4.789 19.787 9.253 188 3HZ LYS 23 HZ3 LYS 23 -3.536 19.738 10.388 189 H ASN 24 HN ASN 24 -0.141 14.539 4.744 190 HA ASN 24 HA ASN 24 -0.610 15.746 2.097 191 1HB ASN 24 HB2 ASN 24 1.497 13.847 3.077 192 2HB ASN 24 HB1 ASN 24 1.050 13.867 1.375 193 1HD2 ASN 24 HD21 ASN 24 1.885 15.383 0.091 194 2HD2 ASN 24 HD22 ASN 24 2.862 16.705 0.622 195 H TYR 25 HN TYR 25 -2.767 14.667 3.357 196 HA TYR 25 HA TYR 25 -3.296 11.970 3.072 197 1HB TYR 25 HB2 TYR 25 -5.130 14.350 2.776 198 2HB TYR 25 HB1 TYR 25 -5.707 12.687 2.806 199 HD1 TYR 25 HD1 TYR 25 -4.001 15.295 4.796 200 HD2 TYR 25 HD2 TYR 25 -5.932 11.505 4.851 201 HE1 TYR 25 HE1 TYR 25 -4.059 15.367 7.253 202 HE2 TYR 25 HE2 TYR 25 -5.997 11.567 7.308 203 HH TYR 25 HH TYR 25 -4.877 12.633 9.154 204 H GLU 26 HN GLU 26 -3.193 14.466 0.631 205 HA GLU 26 HA GLU 26 -4.532 13.033 -1.415 206 1HB GLU 26 HB2 GLU 26 -2.845 15.469 -1.256 207 2HB GLU 26 HB1 GLU 26 -2.968 14.696 -2.829 208 1HG GLU 26 HG2 GLU 26 -5.527 15.046 -1.455 209 2HG GLU 26 HG1 GLU 26 -4.697 16.549 -1.855 210 H GLU 27 HN GLU 27 -1.090 13.477 -0.654 211 HA GLU 27 HA GLU 27 -0.170 11.829 -2.785 212 1HB GLU 27 HB2 GLU 27 1.071 13.648 -1.336 213 2HB GLU 27 HB1 GLU 27 1.454 12.270 -0.313 214 1HG GLU 27 HG2 GLU 27 3.165 11.832 -1.637 215 2HG GLU 27 HG1 GLU 27 2.023 11.450 -2.925 216 H ALA 28 HN ALA 28 -0.900 11.283 0.617 217 HA ALA 28 HA ALA 28 0.193 8.729 0.903 218 1HB ALA 28 HB1 ALA 28 -1.293 8.470 2.804 219 2HB ALA 28 HB2 ALA 28 -2.274 9.826 2.247 220 3HB ALA 28 HB3 ALA 28 -0.615 10.098 2.778 221 H LEU 29 HN LEU 29 -2.807 9.793 -0.546 222 HA LEU 29 HA LEU 29 -4.083 7.266 -0.651 223 1HB LEU 29 HB2 LEU 29 -5.135 9.560 -0.958 224 2HB LEU 29 HB1 LEU 29 -4.495 9.532 -2.590 225 HG LEU 29 HG LEU 29 -5.785 7.333 -2.874 226 1HD1 LEU 29 HD11 LEU 29 -7.229 8.420 -0.462 227 2HD1 LEU 29 HD12 LEU 29 -6.216 6.976 -0.481 228 3HD1 LEU 29 HD13 LEU 29 -7.702 7.023 -1.429 229 1HD2 LEU 29 HD21 LEU 29 -7.791 8.501 -3.510 230 2HD2 LEU 29 HD22 LEU 29 -6.394 9.509 -3.890 231 3HD2 LEU 29 HD23 LEU 29 -7.375 9.861 -2.468 232 H ARG 30 HN ARG 30 -2.073 9.044 -2.970 233 HA ARG 30 HA ARG 30 -2.246 7.032 -4.990 234 1HB ARG 30 HB2 ARG 30 -0.656 9.529 -4.595 235 2HB ARG 30 HB1 ARG 30 -0.119 8.374 -5.807 236 1HG ARG 30 HG2 ARG 30 -1.493 10.055 -6.840 237 2HG ARG 30 HG1 ARG 30 -2.334 8.504 -6.876 238 1HD ARG 30 HD2 ARG 30 -3.699 9.158 -4.992 239 2HD ARG 30 HD1 ARG 30 -2.800 10.665 -4.826 240 HE ARG 30 HE ARG 30 -4.899 10.094 -6.703 241 1HH1 ARG 30 HH11 ARG 30 -2.108 12.084 -6.051 242 2HH1 ARG 30 HH12 ARG 30 -2.627 13.370 -7.088 243 1HH2 ARG 30 HH21 ARG 30 -5.584 11.785 -8.067 244 2HH2 ARG 30 HH22 ARG 30 -4.601 13.201 -8.232 245 H LEU 31 HN LEU 31 -0.067 7.712 -2.339 246 HA LEU 31 HA LEU 31 2.011 5.955 -3.171 247 1HB LEU 31 HB2 LEU 31 1.358 7.539 -0.771 248 2HB LEU 31 HB1 LEU 31 2.328 6.108 -0.476 249 HG LEU 31 HG LEU 31 3.666 8.175 -0.798 250 1HD1 LEU 31 HD11 LEU 31 5.367 7.087 -1.880 251 2HD1 LEU 31 HD12 LEU 31 4.299 6.394 -3.099 252 3HD1 LEU 31 HD13 LEU 31 4.324 5.727 -1.467 253 1HD2 LEU 31 HD21 LEU 31 2.222 9.256 -2.454 254 2HD2 LEU 31 HD22 LEU 31 2.644 8.012 -3.631 255 3HD2 LEU 31 HD23 LEU 31 3.883 9.117 -3.033 256 H TYR 32 HN TYR 32 -0.677 5.636 -0.871 257 HA TYR 32 HA TYR 32 -0.056 2.988 -0.087 258 1HB TYR 32 HB2 TYR 32 -2.256 4.892 0.327 259 2HB TYR 32 HB1 TYR 32 -2.758 3.205 0.340 260 HD1 TYR 32 HD1 TYR 32 -1.242 1.623 1.826 261 HD2 TYR 32 HD2 TYR 32 -1.536 5.840 2.306 262 HE1 TYR 32 HE1 TYR 32 -0.466 1.407 4.149 263 HE2 TYR 32 HE2 TYR 32 -0.759 5.635 4.630 264 HH TYR 32 HH TYR 32 0.746 3.001 5.841 265 H GLN 33 HN GLN 33 -2.180 4.331 -2.572 266 HA GLN 33 HA GLN 33 -3.445 1.966 -3.358 267 1HB GLN 33 HB2 GLN 33 -2.869 4.577 -4.696 268 2HB GLN 33 HB1 GLN 33 -3.492 3.247 -5.663 269 1HG GLN 33 HG2 GLN 33 -4.846 4.138 -3.142 270 2HG GLN 33 HG1 GLN 33 -5.167 4.902 -4.698 271 1HE2 GLN 33 HE21 GLN 33 -5.704 2.172 -2.698 272 2HE2 GLN 33 HE22 GLN 33 -6.775 1.326 -3.756 273 H HIS 34 HN HIS 34 -0.280 3.238 -4.112 274 HA HIS 34 HA HIS 34 0.263 1.526 -6.314 275 1HB HIS 34 HB2 HIS 34 1.829 3.367 -4.590 276 2HB HIS 34 HB1 HIS 34 2.733 2.117 -5.439 277 HD1 HIS 34 HD1 HIS 34 3.665 3.018 -7.532 278 HD2 HIS 34 HD2 HIS 34 -0.067 4.641 -6.695 279 HE1 HIS 34 HE1 HIS 34 3.167 4.578 -9.441 280 HE2 HIS 34 HE2 HIS 34 0.940 5.609 -8.872 281 H ALA 35 HN ALA 35 0.932 1.325 -2.844 282 HA ALA 35 HA ALA 35 2.492 -1.016 -2.921 283 1HB ALA 35 HB1 ALA 35 1.497 -1.184 -0.469 284 2HB ALA 35 HB2 ALA 35 1.014 0.474 -0.825 285 3HB ALA 35 HB3 ALA 35 2.714 0.015 -0.905 286 H VAL 36 HN VAL 36 -0.961 -0.491 -2.937 287 HA VAL 36 HA VAL 36 -1.788 -3.083 -2.201 288 HB VAL 36 HB VAL 36 -3.258 -1.218 -4.063 289 1HG1 VAL 36 HG11 VAL 36 -5.089 -2.500 -3.763 290 2HG1 VAL 36 HG12 VAL 36 -4.680 -2.880 -2.089 291 3HG1 VAL 36 HG13 VAL 36 -3.898 -3.752 -3.408 292 1HG2 VAL 36 HG21 VAL 36 -2.729 -1.054 -1.160 293 2HG2 VAL 36 HG22 VAL 36 -4.383 -0.732 -1.680 294 3HG2 VAL 36 HG23 VAL 36 -3.052 0.225 -2.330 295 H GLU 37 HN GLU 37 -1.320 -1.611 -5.410 296 HA GLU 37 HA GLU 37 -1.944 -3.980 -6.846 297 1HB GLU 37 HB2 GLU 37 -0.975 -2.784 -8.788 298 2HB GLU 37 HB1 GLU 37 -2.158 -1.823 -7.914 299 1HG GLU 37 HG2 GLU 37 -0.573 -0.377 -7.080 300 2HG GLU 37 HG1 GLU 37 0.738 -1.542 -7.265 301 H TYR 38 HN TYR 38 0.989 -2.672 -5.478 302 HA TYR 38 HA TYR 38 2.817 -4.299 -6.910 303 1HB TYR 38 HB2 TYR 38 2.913 -2.453 -4.626 304 2HB TYR 38 HB1 TYR 38 4.095 -3.755 -4.543 305 HD1 TYR 38 HD1 TYR 38 5.425 -4.160 -6.804 306 HD2 TYR 38 HD2 TYR 38 3.501 -0.518 -5.739 307 HE1 TYR 38 HE1 TYR 38 6.885 -2.940 -8.361 308 HE2 TYR 38 HE2 TYR 38 4.956 0.712 -7.294 309 HH TYR 38 HH TYR 38 6.286 0.166 -9.393 310 H PHE 39 HN PHE 39 1.033 -4.721 -3.908 311 HA PHE 39 HA PHE 39 2.393 -7.112 -3.132 312 1HB PHE 39 HB2 PHE 39 0.002 -5.606 -2.185 313 2HB PHE 39 HB1 PHE 39 0.158 -7.291 -1.702 314 HD1 PHE 39 HD1 PHE 39 0.770 -4.074 -0.677 315 HD2 PHE 39 HD2 PHE 39 2.705 -7.856 -0.928 316 HE1 PHE 39 HE1 PHE 39 2.300 -3.407 1.130 317 HE2 PHE 39 HE2 PHE 39 4.238 -7.196 0.880 318 HZ PHE 39 HZ PHE 39 4.037 -4.969 1.911 319 H LEU 40 HN LEU 40 -0.674 -6.404 -4.753 320 HA LEU 40 HA LEU 40 -1.649 -9.027 -4.890 321 1HB LEU 40 HB2 LEU 40 -2.096 -6.586 -6.584 322 2HB LEU 40 HB1 LEU 40 -2.872 -8.112 -6.966 323 HG LEU 40 HG LEU 40 -3.163 -6.857 -4.251 324 1HD1 LEU 40 HD11 LEU 40 -3.880 -5.151 -5.776 325 2HD1 LEU 40 HD12 LEU 40 -5.307 -5.916 -5.077 326 3HD1 LEU 40 HD13 LEU 40 -4.806 -6.319 -6.719 327 1HD2 LEU 40 HD21 LEU 40 -3.788 -9.293 -4.869 328 2HD2 LEU 40 HD22 LEU 40 -5.154 -8.552 -5.704 329 3HD2 LEU 40 HD23 LEU 40 -4.944 -8.311 -3.970 330 H HIS 41 HN HIS 41 0.344 -7.188 -7.184 331 HA HIS 41 HA HIS 41 0.494 -9.233 -9.133 332 1HB HIS 41 HB2 HIS 41 1.022 -6.741 -9.407 333 2HB HIS 41 HB1 HIS 41 2.593 -7.113 -8.705 334 HD1 HIS 41 HD1 HIS 41 1.081 -6.708 -11.860 335 HD2 HIS 41 HD2 HIS 41 3.813 -9.421 -10.300 336 HE1 HIS 41 HE1 HIS 41 2.247 -7.707 -13.850 337 HE2 HIS 41 HE2 HIS 41 3.836 -9.408 -12.890 338 H ALA 42 HN ALA 42 2.321 -8.547 -6.238 339 HA ALA 42 HA ALA 42 4.559 -10.180 -6.809 340 1HB ALA 42 HB1 ALA 42 3.453 -9.360 -4.128 341 2HB ALA 42 HB2 ALA 42 4.603 -8.438 -5.097 342 3HB ALA 42 HB3 ALA 42 5.066 -10.000 -4.435 343 H ILE 43 HN ILE 43 1.428 -10.790 -5.332 344 HA ILE 43 HA ILE 43 2.092 -13.450 -4.481 345 HB ILE 43 HB ILE 43 -0.659 -12.250 -4.794 346 1HG1 ILE 43 HG12 ILE 43 0.751 -12.390 -2.165 347 2HG1 ILE 43 HG11 ILE 43 1.175 -11.090 -3.271 348 1HG2 ILE 43 HG21 ILE 43 0.400 -14.610 -3.250 349 2HG2 ILE 43 HG22 ILE 43 -0.796 -14.610 -4.545 350 3HG2 ILE 43 HG23 ILE 43 -1.194 -13.900 -2.980 351 1HD1 ILE 43 HD11 ILE 43 -1.642 -11.220 -3.162 352 2HD1 ILE 43 HD12 ILE 43 -0.575 -9.950 -2.562 353 3HD1 ILE 43 HD13 ILE 43 -1.037 -11.280 -1.508 354 H LYS 44 HN LYS 44 0.212 -12.040 -7.138 355 HA LYS 44 HA LYS 44 -0.701 -14.430 -8.272 356 1HB LYS 44 HB2 LYS 44 -1.091 -11.810 -8.816 357 2HB LYS 44 HB1 LYS 44 -0.008 -12.230 -10.130 358 1HG LYS 44 HG2 LYS 44 -1.725 -14.270 -10.320 359 2HG LYS 44 HG1 LYS 44 -2.797 -13.060 -9.627 360 1HD LYS 44 HD2 LYS 44 -2.898 -11.910 -11.540 361 2HD LYS 44 HD1 LYS 44 -1.153 -12.000 -11.780 362 1HE LYS 44 HE2 LYS 44 -1.277 -13.890 -13.040 363 2HE LYS 44 HE1 LYS 44 -2.724 -14.470 -12.220 364 1HZ LYS 44 HZ1 LYS 44 -4.047 -12.900 -13.420 365 2HZ LYS 44 HZ2 LYS 44 -3.132 -13.790 -14.530 366 3HZ LYS 44 HZ3 LYS 44 -2.676 -12.210 -14.140 367 H TYR 45 HN TYR 45 2.155 -12.480 -9.150 368 HA TYR 45 HA TYR 45 3.119 -14.470 -10.970 369 1HB TYR 45 HB2 TYR 45 4.087 -11.830 -9.978 370 2HB TYR 45 HB1 TYR 45 5.262 -12.920 -10.700 371 HD1 TYR 45 HD1 TYR 45 5.584 -12.850 -12.990 372 HD2 TYR 45 HD2 TYR 45 1.902 -11.440 -11.390 373 HE1 TYR 45 HE1 TYR 45 4.898 -12.100 -15.230 374 HE2 TYR 45 HE2 TYR 45 1.207 -10.690 -13.620 375 HH TYR 45 HH TYR 45 1.706 -11.170 -15.960 376 H GLU 46 HN GLU 46 4.581 -13.120 -8.012 377 HA GLU 46 HA GLU 46 6.135 -15.570 -7.699 378 1HB GLU 46 HB2 GLU 46 6.223 -12.850 -6.418 379 2HB GLU 46 HB1 GLU 46 7.080 -14.210 -5.704 380 1HG GLU 46 HG2 GLU 46 7.565 -13.860 -8.566 381 2HG GLU 46 HG1 GLU 46 8.096 -12.510 -7.567 382 H ALA 47 HN ALA 47 4.281 -16.900 -7.180 383 HA ALA 47 HA ALA 47 2.843 -16.380 -4.731 384 1HB ALA 47 HB1 ALA 47 1.632 -18.410 -5.214 385 2HB ALA 47 HB2 ALA 47 2.797 -18.840 -6.465 386 3HB ALA 47 HB3 ALA 47 1.755 -17.440 -6.681 387 H HIS 48 HN HIS 48 3.508 -16.940 -2.775 388 HA HIS 48 HA HIS 48 5.636 -18.950 -2.531 389 1HB HIS 48 HB2 HIS 48 5.212 -16.390 -1.320 390 2HB HIS 48 HB1 HIS 48 5.240 -17.610 -0.060 391 HD1 HIS 48 HD1 HIS 48 7.413 -19.460 -0.796 392 HD2 HIS 48 HD2 HIS 48 7.699 -15.370 -1.515 393 HE1 HIS 48 HE1 HIS 48 9.875 -18.980 -0.984 394 HE2 HIS 48 HE2 HIS 48 10.026 -16.500 -1.398 395 H SER 49 HN SER 49 5.381 -19.590 0.141 396 HA SER 49 HA SER 49 3.420 -21.600 0.081 397 1HB SER 49 HB2 SER 49 5.586 -20.900 1.740 398 2HB SER 49 HB1 SER 49 4.171 -20.940 2.790 399 HG SER 49 HG SER 49 4.107 -23.030 2.586 400 H ASP 50 HN ASP 50 1.809 -21.840 1.979 401 HA ASP 50 HA ASP 50 -0.216 -19.940 1.655 402 1HB ASP 50 HB2 ASP 50 0.236 -22.110 3.690 403 2HB ASP 50 HB1 ASP 50 -1.183 -21.070 3.760 404 H LYS 51 HN LYS 51 2.375 -20.150 3.989 405 HA LYS 51 HA LYS 51 1.375 -18.350 5.904 406 1HB LYS 51 HB2 LYS 51 4.036 -19.470 5.210 407 2HB LYS 51 HB1 LYS 51 4.025 -17.990 6.168 408 1HG LYS 51 HG2 LYS 51 2.281 -19.340 7.609 409 2HG LYS 51 HG1 LYS 51 3.087 -20.720 6.873 410 1HD LYS 51 HD2 LYS 51 5.029 -20.360 7.992 411 2HD LYS 51 HD1 LYS 51 4.833 -18.610 7.978 412 1HE LYS 51 HE2 LYS 51 2.765 -19.410 9.579 413 2HE LYS 51 HE1 LYS 51 4.020 -20.580 9.980 414 1HZ LYS 51 HZ1 LYS 51 5.425 -18.330 10.035 415 2HZ LYS 51 HZ2 LYS 51 4.640 -18.960 11.394 416 3HZ LYS 51 HZ3 LYS 51 3.914 -17.720 10.497 417 H ALA 52 HN ALA 52 3.427 -17.840 3.054 418 HA ALA 52 HA ALA 52 3.672 -15.030 3.471 419 1HB ALA 52 HB1 ALA 52 5.044 -15.020 1.645 420 2HB ALA 52 HB2 ALA 52 4.078 -16.210 0.775 421 3HB ALA 52 HB3 ALA 52 5.147 -16.720 2.081 422 H LYS 53 HN LYS 53 1.690 -17.060 1.354 423 HA LYS 53 HA LYS 53 0.444 -15.030 -0.102 424 1HB LYS 53 HB2 LYS 53 0.368 -17.710 -0.214 425 2HB LYS 53 HB1 LYS 53 -1.163 -17.430 0.602 426 1HG LYS 53 HG2 LYS 53 -1.854 -15.950 -1.226 427 2HG LYS 53 HG1 LYS 53 -0.328 -16.270 -2.051 428 1HD LYS 53 HD2 LYS 53 -0.884 -18.570 -2.349 429 2HD LYS 53 HD1 LYS 53 -2.270 -18.440 -1.264 430 1HE LYS 53 HE2 LYS 53 -2.235 -16.640 -3.614 431 2HE LYS 53 HE1 LYS 53 -2.488 -18.350 -3.929 432 1HZ LYS 53 HZ1 LYS 53 -4.356 -18.340 -2.421 433 2HZ LYS 53 HZ2 LYS 53 -4.574 -17.150 -3.606 434 3HZ LYS 53 HZ3 LYS 53 -4.091 -16.710 -2.045 435 H GLU 54 HN GLU 54 -0.616 -16.660 2.881 436 HA GLU 54 HA GLU 54 -2.992 -15.160 3.187 437 1HB GLU 54 HB2 GLU 54 -1.362 -16.950 4.914 438 2HB GLU 54 HB1 GLU 54 -2.515 -15.890 5.712 439 1HG GLU 54 HG2 GLU 54 -4.234 -16.820 4.069 440 2HG GLU 54 HG1 GLU 54 -3.041 -18.080 3.729 441 H SER 55 HN SER 55 0.292 -14.700 4.398 442 HA SER 55 HA SER 55 -0.216 -12.590 6.155 443 1HB SER 55 HB2 SER 55 2.174 -13.640 4.740 444 2HB SER 55 HB1 SER 55 2.286 -12.000 5.372 445 HG SER 55 HG SER 55 2.567 -14.250 6.704 446 H ILE 56 HN ILE 56 0.672 -12.550 2.716 447 HA ILE 56 HA ILE 56 0.656 -9.717 2.495 448 HB ILE 56 HB ILE 56 0.314 -11.710 0.261 449 1HG1 ILE 56 HG12 ILE 56 2.953 -10.500 0.976 450 2HG1 ILE 56 HG11 ILE 56 2.374 -11.880 1.912 451 1HG2 ILE 56 HG21 ILE 56 1.505 -9.860 -1.011 452 2HG2 ILE 56 HG22 ILE 56 1.117 -8.827 0.364 453 3HG2 ILE 56 HG23 ILE 56 -0.179 -9.579 -0.566 454 1HD1 ILE 56 HD11 ILE 56 3.787 -12.690 0.186 455 2HD1 ILE 56 HD12 ILE 56 2.911 -11.780 -1.041 456 3HD1 ILE 56 HD13 ILE 56 2.128 -13.130 -0.224 457 H ARG 57 HN ARG 57 -1.684 -12.240 1.626 458 HA ARG 57 HA ARG 57 -3.619 -10.580 0.481 459 1HB ARG 57 HB2 ARG 57 -3.396 -13.220 0.698 460 2HB ARG 57 HB1 ARG 57 -4.497 -12.960 2.044 461 1HG ARG 57 HG2 ARG 57 -6.039 -13.250 0.424 462 2HG ARG 57 HG1 ARG 57 -5.769 -11.520 0.189 463 1HD ARG 57 HD2 ARG 57 -4.226 -11.960 -1.609 464 2HD ARG 57 HD1 ARG 57 -4.321 -13.700 -1.315 465 HE ARG 57 HE ARG 57 -6.285 -13.760 -2.491 466 1HH1 ARG 57 HH11 ARG 57 -5.543 -10.440 -1.691 467 2HH1 ARG 57 HH12 ARG 57 -6.811 -9.794 -2.675 468 1HH2 ARG 57 HH21 ARG 57 -7.951 -12.900 -3.786 469 2HH2 ARG 57 HH22 ARG 57 -8.178 -11.190 -3.864 470 H ALA 58 HN ALA 58 -3.021 -11.460 3.835 471 HA ALA 58 HA ALA 58 -5.409 -10.280 4.859 472 1HB ALA 58 HB1 ALA 58 -4.307 -10.550 7.065 473 2HB ALA 58 HB2 ALA 58 -2.850 -11.090 6.229 474 3HB ALA 58 HB3 ALA 58 -4.337 -12.030 6.106 475 H LYS 59 HN LYS 59 -2.173 -9.143 4.200 476 HA LYS 59 HA LYS 59 -2.412 -6.725 5.712 477 1HB LYS 59 HB2 LYS 59 -0.373 -8.080 4.229 478 2HB LYS 59 HB1 LYS 59 -0.464 -6.416 3.669 479 1HG LYS 59 HG2 LYS 59 0.873 -5.944 5.383 480 2HG LYS 59 HG1 LYS 59 -0.564 -6.127 6.390 481 1HD LYS 59 HD2 LYS 59 0.397 -8.723 5.980 482 2HD LYS 59 HD1 LYS 59 1.827 -7.736 6.290 483 1HE LYS 59 HE2 LYS 59 -0.568 -7.425 8.040 484 2HE LYS 59 HE1 LYS 59 0.487 -8.820 8.268 485 1HZ LYS 59 HZ1 LYS 59 1.381 -5.988 8.307 486 2HZ LYS 59 HZ2 LYS 59 2.345 -7.345 8.607 487 3HZ LYS 59 HZ3 LYS 59 1.104 -6.936 9.680 488 H CYS 60 HN CYS 60 -2.851 -7.621 2.324 489 HA CYS 60 HA CYS 60 -3.167 -5.056 1.258 490 1HB CYS 60 HB2 CYS 60 -3.602 -7.782 0.392 491 2HB CYS 60 HB1 CYS 60 -4.881 -6.729 -0.202 492 HG CYS 60 HG CYS 60 -1.902 -6.549 -0.997 493 H VAL 61 HN VAL 61 -5.407 -7.136 2.965 494 HA VAL 61 HA VAL 61 -7.788 -5.767 2.311 495 HB VAL 61 HB VAL 61 -7.233 -7.302 4.852 496 1HG1 VAL 61 HG11 VAL 61 -9.805 -7.792 4.258 497 2HG1 VAL 61 HG12 VAL 61 -9.647 -6.170 3.583 498 3HG1 VAL 61 HG13 VAL 61 -9.284 -6.456 5.286 499 1HG2 VAL 61 HG21 VAL 61 -7.399 -9.262 3.765 500 2HG2 VAL 61 HG22 VAL 61 -6.926 -8.320 2.352 501 3HG2 VAL 61 HG23 VAL 61 -8.629 -8.659 2.656 502 H GLN 62 HN GLN 62 -5.638 -5.522 5.139 503 HA GLN 62 HA GLN 62 -7.102 -3.474 6.421 504 1HB GLN 62 HB2 GLN 62 -5.046 -5.074 7.159 505 2HB GLN 62 HB1 GLN 62 -4.183 -3.567 6.880 506 1HG GLN 62 HG2 GLN 62 -4.787 -2.892 8.893 507 2HG GLN 62 HG1 GLN 62 -6.468 -2.895 8.362 508 1HE2 GLN 62 HE21 GLN 62 -3.947 -5.060 9.585 509 2HE2 GLN 62 HE22 GLN 62 -5.007 -6.049 10.525 510 H TYR 63 HN TYR 63 -4.581 -3.439 3.990 511 HA TYR 63 HA TYR 63 -3.966 -0.672 4.198 512 1HB TYR 63 HB2 TYR 63 -3.564 -2.623 1.922 513 2HB TYR 63 HB1 TYR 63 -2.906 -0.992 1.960 514 HD1 TYR 63 HD1 TYR 63 -1.141 -3.269 1.557 515 HD2 TYR 63 HD2 TYR 63 -2.532 -1.550 5.194 516 HE1 TYR 63 HE1 TYR 63 0.858 -4.110 2.714 517 HE2 TYR 63 HE2 TYR 63 -0.535 -2.386 6.358 518 HH TYR 63 HH TYR 63 2.188 -3.408 4.840 519 H LEU 64 HN LEU 64 -6.286 -2.527 2.319 520 HA LEU 64 HA LEU 64 -7.069 -0.438 0.578 521 1HB LEU 64 HB2 LEU 64 -8.514 -2.923 1.491 522 2HB LEU 64 HB1 LEU 64 -9.129 -1.842 0.254 523 HG LEU 64 HG LEU 64 -6.401 -3.008 -0.084 524 1HD1 LEU 64 HD11 LEU 64 -9.001 -4.462 -0.486 525 2HD1 LEU 64 HD12 LEU 64 -7.599 -4.975 0.452 526 3HD1 LEU 64 HD13 LEU 64 -7.508 -4.912 -1.309 527 1HD2 LEU 64 HD21 LEU 64 -8.512 -1.771 -1.744 528 2HD2 LEU 64 HD22 LEU 64 -7.573 -3.065 -2.487 529 3HD2 LEU 64 HD23 LEU 64 -6.756 -1.636 -1.851 530 H ASP 65 HN ASP 65 -8.010 -1.334 3.820 531 HA ASP 65 HA ASP 65 -10.350 0.300 3.894 532 1HB ASP 65 HB2 ASP 65 -9.002 -1.551 5.655 533 2HB ASP 65 HB1 ASP 65 -9.485 -0.102 6.531 534 H ARG 66 HN ARG 66 -6.973 0.762 4.608 535 HA ARG 66 HA ARG 66 -7.307 3.212 6.044 536 1HB ARG 66 HB2 ARG 66 -5.312 1.592 6.120 537 2HB ARG 66 HB1 ARG 66 -4.790 2.363 4.628 538 1HG ARG 66 HG2 ARG 66 -3.806 3.943 5.819 539 2HG ARG 66 HG1 ARG 66 -5.384 4.435 6.439 540 1HD ARG 66 HD2 ARG 66 -4.221 2.060 7.725 541 2HD ARG 66 HD1 ARG 66 -3.327 3.558 7.977 542 HE ARG 66 HE ARG 66 -6.129 3.871 8.438 543 1HH1 ARG 66 HH11 ARG 66 -3.149 2.757 9.874 544 2HH1 ARG 66 HH12 ARG 66 -3.689 3.015 11.498 545 1HH2 ARG 66 HH21 ARG 66 -6.842 4.209 10.575 546 2HH2 ARG 66 HH22 ARG 66 -5.785 3.838 11.897 547 H ALA 67 HN ALA 67 -6.348 2.397 2.721 548 HA ALA 67 HA ALA 67 -5.878 4.993 1.807 549 1HB ALA 67 HB1 ALA 67 -6.455 2.383 0.547 550 2HB ALA 67 HB2 ALA 67 -5.129 3.511 0.269 551 3HB ALA 67 HB3 ALA 67 -6.712 3.817 -0.446 552 H GLU 68 HN GLU 68 -8.863 3.252 2.296 553 HA GLU 68 HA GLU 68 -10.500 4.989 0.740 554 1HB GLU 68 HB2 GLU 68 -11.060 2.909 2.837 555 2HB GLU 68 HB1 GLU 68 -12.350 3.905 2.178 556 1HG GLU 68 HG2 GLU 68 -10.830 2.855 0.018 557 2HG GLU 68 HG1 GLU 68 -11.230 1.538 1.118 558 H LYS 69 HN LYS 69 -9.405 4.948 4.060 559 HA LYS 69 HA LYS 69 -11.240 6.938 4.987 560 1HB LYS 69 HB2 LYS 69 -9.761 5.138 6.280 561 2HB LYS 69 HB1 LYS 69 -8.644 6.493 6.374 562 1HG LYS 69 HG2 LYS 69 -11.390 7.171 7.096 563 2HG LYS 69 HG1 LYS 69 -10.640 5.970 8.148 564 1HD LYS 69 HD2 LYS 69 -8.923 8.252 7.484 565 2HD LYS 69 HD1 LYS 69 -10.360 8.670 8.410 566 1HE LYS 69 HE2 LYS 69 -9.612 7.662 10.270 567 2HE LYS 69 HE1 LYS 69 -8.964 6.287 9.377 568 1HZ LYS 69 HZ1 LYS 69 -7.445 8.101 10.584 569 2HZ LYS 69 HZ2 LYS 69 -7.541 8.798 9.046 570 3HZ LYS 69 HZ3 LYS 69 -6.940 7.227 9.226 571 H LEU 70 HN LEU 70 -8.068 6.956 3.534 572 HA LEU 70 HA LEU 70 -7.336 9.597 4.240 573 1HB LEU 70 HB2 LEU 70 -6.477 7.962 1.853 574 2HB LEU 70 HB1 LEU 70 -5.679 9.406 2.444 575 HG LEU 70 HG LEU 70 -5.936 6.837 4.008 576 1HD1 LEU 70 HD11 LEU 70 -3.310 7.767 3.049 577 2HD1 LEU 70 HD12 LEU 70 -4.399 7.122 1.820 578 3HD1 LEU 70 HD13 LEU 70 -3.949 6.131 3.209 579 1HD2 LEU 70 HD21 LEU 70 -4.201 9.243 4.531 580 2HD2 LEU 70 HD22 LEU 70 -4.413 7.825 5.559 581 3HD2 LEU 70 HD23 LEU 70 -5.749 8.951 5.322 582 H LYS 71 HN LYS 71 -8.776 8.251 1.276 583 HA LYS 71 HA LYS 71 -9.024 10.717 -0.069 584 1HB LYS 71 HB2 LYS 71 -10.640 9.504 -1.520 585 2HB LYS 71 HB1 LYS 71 -9.116 8.657 -1.311 586 1HG LYS 71 HG2 LYS 71 -10.090 7.117 0.225 587 2HG LYS 71 HG1 LYS 71 -11.600 8.043 0.270 588 1HD LYS 71 HD2 LYS 71 -12.270 6.546 -1.274 589 2HD LYS 71 HD1 LYS 71 -11.380 7.584 -2.385 590 1HE LYS 71 HE2 LYS 71 -9.403 5.971 -1.454 591 2HE LYS 71 HE1 LYS 71 -10.780 4.872 -1.428 592 1HZ LYS 71 HZ1 LYS 71 -11.160 5.752 -3.802 593 2HZ LYS 71 HZ2 LYS 71 -9.949 4.608 -3.547 594 3HZ LYS 71 HZ3 LYS 71 -9.551 6.242 -3.727 595 H ASP 72 HN ASP 72 -11.210 8.931 2.047 596 HA ASP 72 HA ASP 72 -13.460 10.604 1.670 597 1HB ASP 72 HB2 ASP 72 -12.660 8.507 3.619 598 2HB ASP 72 HB1 ASP 72 -13.940 9.608 4.109 599 H TYR 73 HN TYR 73 -10.640 10.824 3.709 600 HA TYR 73 HA TYR 73 -11.680 12.788 5.495 601 1HB TYR 73 HB2 TYR 73 -9.770 11.360 6.086 602 2HB TYR 73 HB1 TYR 73 -8.813 12.115 4.815 603 HD1 TYR 73 HD1 TYR 73 -10.240 12.530 8.156 604 HD2 TYR 73 HD2 TYR 73 -7.964 14.383 5.078 605 HE1 TYR 73 HE1 TYR 73 -9.506 14.256 9.747 606 HE2 TYR 73 HE2 TYR 73 -7.221 16.113 6.659 607 HH TYR 73 HH TYR 73 -8.035 17.124 8.798 608 H LEU 74 HN LEU 74 -9.515 12.972 2.677 609 HA LEU 74 HA LEU 74 -9.356 15.816 2.726 610 1HB LEU 74 HB2 LEU 74 -8.308 15.572 0.506 611 2HB LEU 74 HB1 LEU 74 -7.580 14.542 1.723 612 HG LEU 74 HG LEU 74 -9.362 12.809 0.686 613 1HD1 LEU 74 HD11 LEU 74 -10.310 13.791 -1.102 614 2HD1 LEU 74 HD12 LEU 74 -8.822 13.300 -1.903 615 3HD1 LEU 74 HD13 LEU 74 -9.001 14.948 -1.304 616 1HD2 LEU 74 HD21 LEU 74 -7.313 12.330 -0.968 617 2HD2 LEU 74 HD22 LEU 74 -7.266 11.959 0.755 618 3HD2 LEU 74 HD23 LEU 74 -6.525 13.441 0.152 619 H ARG 75 HN ARG 75 -11.320 13.483 0.948 620 HA ARG 75 HA ARG 75 -12.520 15.283 -0.842 621 1HB ARG 75 HB2 ARG 75 -13.300 12.600 0.248 622 2HB ARG 75 HB1 ARG 75 -14.420 13.499 -0.767 623 1HG ARG 75 HG2 ARG 75 -12.000 13.587 -2.140 624 2HG ARG 75 HG1 ARG 75 -12.100 11.944 -1.502 625 1HD ARG 75 HD2 ARG 75 -14.550 12.049 -2.408 626 2HD ARG 75 HD1 ARG 75 -13.920 13.358 -3.409 627 HE ARG 75 HE ARG 75 -12.770 11.815 -4.657 628 1HH1 ARG 75 HH11 ARG 75 -13.870 10.305 -1.708 629 2HH1 ARG 75 HH12 ARG 75 -13.420 8.709 -2.211 630 1HH2 ARG 75 HH21 ARG 75 -12.180 9.717 -5.321 631 2HH2 ARG 75 HH22 ARG 75 -12.460 8.376 -4.262 632 H SER 76 HN SER 76 -13.700 14.030 2.277 633 HA SER 76 HA SER 76 -16.070 15.524 2.355 634 1HB SER 76 HB2 SER 76 -14.360 14.307 4.525 635 2HB SER 76 HB1 SER 76 -15.860 15.164 4.886 636 HG SER 76 HG SER 76 -15.490 12.663 3.874 637 H LYS 77 HN LYS 77 -12.830 16.241 3.620 638 HA LYS 77 HA LYS 77 -13.500 18.682 4.861 639 1HB LYS 77 HB2 LYS 77 -11.330 17.177 4.962 640 2HB LYS 77 HB1 LYS 77 -10.790 18.260 3.689 641 1HG LYS 77 HG2 LYS 77 -11.000 20.162 5.115 642 2HG LYS 77 HG1 LYS 77 -11.790 19.197 6.365 643 1HD LYS 77 HD2 LYS 77 -9.792 17.997 6.816 644 2HD LYS 77 HD1 LYS 77 -8.999 18.660 5.387 645 1HE LYS 77 HE2 LYS 77 -8.107 20.113 6.855 646 2HE LYS 77 HE1 LYS 77 -9.658 20.934 6.696 647 1HZ LYS 77 HZ1 LYS 77 -9.532 18.812 8.678 648 2HZ LYS 77 HZ2 LYS 77 -10.290 20.319 8.752 649 3HZ LYS 77 HZ3 LYS 77 -8.631 20.201 9.027 Start of MODEL 10 1 1H MET 1 HT1 MET 1 22.470 -3.327 -8.195 2 2H MET 1 HT2 MET 1 22.770 -5.008 -8.369 3 3H MET 1 HT3 MET 1 23.497 -4.133 -7.084 4 HA MET 1 HA MET 1 21.611 -5.511 -6.424 5 1HB MET 1 HB2 MET 1 21.915 -2.584 -6.027 6 2HB MET 1 HB1 MET 1 20.431 -3.308 -5.424 7 1HG MET 1 HG2 MET 1 22.116 -5.043 -4.376 8 2HG MET 1 HG1 MET 1 23.233 -3.688 -4.527 9 1HE MET 1 HE1 MET 1 21.264 -5.560 -2.438 10 2HE MET 1 HE2 MET 1 19.706 -4.756 -2.632 11 3HE MET 1 HE3 MET 1 20.630 -4.541 -1.145 12 H THR 2 HN THR 2 19.643 -6.246 -6.918 13 HA THR 2 HA THR 2 18.076 -4.761 -8.918 14 HB THR 2 HB THR 2 17.812 -7.690 -8.238 15 HG1 THR 2 HG1 THR 2 19.311 -6.523 -10.340 16 1HG2 THR 2 HG21 THR 2 16.888 -7.830 -10.520 17 2HG2 THR 2 HG22 THR 2 16.919 -6.068 -10.600 18 3HG2 THR 2 HG23 THR 2 15.900 -6.881 -9.418 19 H THR 3 HN THR 3 16.158 -3.957 -8.364 20 HA THR 3 HA THR 3 15.204 -4.235 -5.676 21 HB THR 3 HB THR 3 13.807 -2.913 -8.007 22 HG1 THR 3 HG1 THR 3 15.416 -1.583 -7.962 23 1HG2 THR 3 HG21 THR 3 12.513 -3.240 -5.877 24 2HG2 THR 3 HG22 THR 3 12.682 -1.574 -6.431 25 3HG2 THR 3 HG23 THR 3 13.680 -2.168 -5.103 26 H SER 4 HN SER 4 13.516 -5.396 -4.911 27 HA SER 4 HA SER 4 12.338 -7.354 -6.742 28 1HB SER 4 HB2 SER 4 12.895 -7.277 -3.825 29 2HB SER 4 HB1 SER 4 11.467 -8.175 -4.336 30 HG SER 4 HG SER 4 13.037 -9.649 -4.496 31 H THR 5 HN THR 5 10.013 -7.996 -6.138 32 HA THR 5 HA THR 5 8.380 -5.662 -6.459 33 HB THR 5 HB THR 5 7.520 -8.532 -6.047 34 HG1 THR 5 HG1 THR 5 7.535 -8.666 -8.281 35 1HG2 THR 5 HG21 THR 5 5.703 -6.895 -5.801 36 2HG2 THR 5 HG22 THR 5 5.504 -7.934 -7.212 37 3HG2 THR 5 HG23 THR 5 6.071 -6.276 -7.410 38 H LEU 6 HN LEU 6 9.130 -7.878 -3.855 39 HA LEU 6 HA LEU 6 7.045 -6.988 -2.113 40 1HB LEU 6 HB2 LEU 6 9.448 -8.730 -1.861 41 2HB LEU 6 HB1 LEU 6 8.733 -8.095 -0.392 42 HG LEU 6 HG LEU 6 7.921 -10.350 -0.946 43 1HD1 LEU 6 HD11 LEU 6 5.710 -9.959 -0.366 44 2HD1 LEU 6 HD12 LEU 6 5.627 -8.466 -1.303 45 3HD1 LEU 6 HD13 LEU 6 6.538 -8.512 0.207 46 1HD2 LEU 6 HD21 LEU 6 6.484 -10.710 -2.855 47 2HD2 LEU 6 HD22 LEU 6 8.054 -10.120 -3.398 48 3HD2 LEU 6 HD23 LEU 6 6.669 -9.036 -3.351 49 H GLN 7 HN GLN 7 10.519 -6.306 -2.379 50 HA GLN 7 HA GLN 7 10.699 -4.588 -0.163 51 1HB GLN 7 HB2 GLN 7 12.612 -5.637 -1.443 52 2HB GLN 7 HB1 GLN 7 12.365 -4.404 -2.673 53 1HG GLN 7 HG2 GLN 7 13.867 -3.232 -1.519 54 2HG GLN 7 HG1 GLN 7 12.535 -2.898 -0.413 55 1HE2 GLN 7 HE21 GLN 7 12.529 -3.798 1.593 56 2HE2 GLN 7 HE22 GLN 7 13.841 -4.724 2.231 57 H LYS 8 HN LYS 8 9.642 -4.062 -3.447 58 HA LYS 8 HA LYS 8 9.766 -1.224 -3.403 59 1HB LYS 8 HB2 LYS 8 8.480 -3.274 -5.149 60 2HB LYS 8 HB1 LYS 8 7.940 -1.607 -5.285 61 1HG LYS 8 HG2 LYS 8 10.533 -1.146 -5.450 62 2HG LYS 8 HG1 LYS 8 10.551 -2.823 -6.000 63 1HD LYS 8 HD2 LYS 8 8.546 -1.955 -7.505 64 2HD LYS 8 HD1 LYS 8 9.369 -0.412 -7.274 65 1HE LYS 8 HE2 LYS 8 11.400 -2.218 -7.872 66 2HE LYS 8 HE1 LYS 8 10.081 -2.654 -8.958 67 1HZ LYS 8 HZ1 LYS 8 9.999 -0.403 -9.757 68 2HZ LYS 8 HZ2 LYS 8 11.584 -0.978 -9.901 69 3HZ LYS 8 HZ3 LYS 8 11.181 0.088 -8.651 70 H ALA 9 HN ALA 9 7.211 -3.568 -2.699 71 HA ALA 9 HA ALA 9 5.129 -1.705 -2.326 72 1HB ALA 9 HB1 ALA 9 5.210 -4.279 -0.813 73 2HB ALA 9 HB2 ALA 9 5.068 -4.297 -2.571 74 3HB ALA 9 HB3 ALA 9 3.848 -3.479 -1.596 75 H ILE 10 HN ILE 10 7.626 -2.930 -0.191 76 HA ILE 10 HA ILE 10 6.505 -1.934 2.226 77 HB ILE 10 HB ILE 10 9.416 -2.500 1.662 78 1HG1 ILE 10 HG12 ILE 10 7.593 -4.464 2.989 79 2HG1 ILE 10 HG11 ILE 10 7.570 -4.344 1.233 80 1HG2 ILE 10 HG21 ILE 10 7.803 -2.188 4.173 81 2HG2 ILE 10 HG22 ILE 10 9.279 -1.349 3.696 82 3HG2 ILE 10 HG23 ILE 10 9.341 -3.051 4.155 83 1HD1 ILE 10 HD11 ILE 10 10.270 -4.489 2.213 84 2HD1 ILE 10 HD12 ILE 10 9.428 -5.532 1.067 85 3HD1 ILE 10 HD13 ILE 10 9.305 -5.843 2.799 86 H ASP 11 HN ASP 11 8.508 -0.556 -0.274 87 HA ASP 11 HA ASP 11 9.313 1.728 1.274 88 1HB ASP 11 HB2 ASP 11 9.774 0.707 -1.449 89 2HB ASP 11 HB1 ASP 11 9.738 2.464 -1.322 90 H LEU 12 HN LEU 12 6.696 0.929 -0.892 91 HA LEU 12 HA LEU 12 5.835 3.616 -1.334 92 1HB LEU 12 HB2 LEU 12 4.785 0.900 -1.910 93 2HB LEU 12 HB1 LEU 12 3.620 2.209 -1.864 94 HG LEU 12 HG LEU 12 4.415 1.755 -4.143 95 1HD1 LEU 12 HD11 LEU 12 4.479 3.950 -4.766 96 2HD1 LEU 12 HD12 LEU 12 5.592 4.401 -3.474 97 3HD1 LEU 12 HD13 LEU 12 3.888 4.122 -3.114 98 1HD2 LEU 12 HD21 LEU 12 7.079 2.308 -2.889 99 2HD2 LEU 12 HD22 LEU 12 6.809 2.594 -4.607 100 3HD2 LEU 12 HD23 LEU 12 6.596 0.976 -3.938 101 H VAL 13 HN VAL 13 4.801 1.011 0.841 102 HA VAL 13 HA VAL 13 2.652 2.411 2.014 103 HB VAL 13 HB VAL 13 2.887 0.763 3.888 104 1HG1 VAL 13 HG11 VAL 13 3.012 -0.738 1.310 105 2HG1 VAL 13 HG12 VAL 13 1.711 0.420 1.587 106 3HG1 VAL 13 HG13 VAL 13 1.922 -0.947 2.681 107 1HG2 VAL 13 HG21 VAL 13 5.487 0.611 3.197 108 2HG2 VAL 13 HG22 VAL 13 4.859 -0.806 2.357 109 3HG2 VAL 13 HG23 VAL 13 4.639 -0.645 4.099 110 H THR 14 HN THR 14 6.085 2.423 2.614 111 HA THR 14 HA THR 14 5.945 3.646 5.193 112 HB THR 14 HB THR 14 8.266 3.615 3.256 113 HG1 THR 14 HG1 THR 14 8.364 1.576 3.659 114 1HG2 THR 14 HG21 THR 14 8.139 3.989 6.234 115 2HG2 THR 14 HG22 THR 14 8.747 5.121 5.027 116 3HG2 THR 14 HG23 THR 14 9.619 3.622 5.347 117 H LYS 15 HN LYS 15 6.269 4.813 1.890 118 HA LYS 15 HA LYS 15 6.792 7.524 2.614 119 1HB LYS 15 HB2 LYS 15 7.021 6.097 0.307 120 2HB LYS 15 HB1 LYS 15 5.561 7.020 -0.016 121 1HG LYS 15 HG2 LYS 15 6.665 9.047 0.062 122 2HG LYS 15 HG1 LYS 15 7.998 8.400 1.018 123 1HD LYS 15 HD2 LYS 15 8.939 7.306 -0.844 124 2HD LYS 15 HD1 LYS 15 7.467 7.493 -1.799 125 1HE LYS 15 HE2 LYS 15 8.114 10.086 -1.193 126 2HE LYS 15 HE1 LYS 15 9.699 9.340 -1.392 127 1HZ LYS 15 HZ1 LYS 15 7.485 9.312 -3.372 128 2HZ LYS 15 HZ2 LYS 15 8.960 8.509 -3.562 129 3HZ LYS 15 HZ3 LYS 15 8.922 10.198 -3.486 130 H ALA 16 HN ALA 16 3.922 5.616 2.145 131 HA ALA 16 HA ALA 16 2.132 7.837 1.866 132 1HB ALA 16 HB1 ALA 16 1.916 5.214 1.287 133 2HB ALA 16 HB2 ALA 16 0.535 6.295 1.477 134 3HB ALA 16 HB3 ALA 16 1.045 5.271 2.820 135 H THR 17 HN THR 17 2.938 5.604 4.515 136 HA THR 17 HA THR 17 1.185 6.645 6.423 137 HB THR 17 HB THR 17 2.291 4.526 6.775 138 HG1 THR 17 HG1 THR 17 1.760 5.527 8.679 139 1HG2 THR 17 HG21 THR 17 4.876 6.015 7.142 140 2HG2 THR 17 HG22 THR 17 4.455 5.086 5.703 141 3HG2 THR 17 HG23 THR 17 4.612 4.275 7.261 142 H GLU 18 HN GLU 18 4.592 7.462 5.800 143 HA GLU 18 HA GLU 18 4.806 9.413 7.821 144 1HB GLU 18 HB2 GLU 18 6.837 10.118 6.695 145 2HB GLU 18 HB1 GLU 18 6.748 8.363 6.717 146 1HG GLU 18 HG2 GLU 18 7.088 8.367 4.536 147 2HG GLU 18 HG1 GLU 18 5.523 9.151 4.331 148 H GLU 19 HN GLU 19 3.563 9.524 4.565 149 HA GLU 19 HA GLU 19 3.596 12.346 4.263 150 1HB GLU 19 HB2 GLU 19 2.334 10.056 2.850 151 2HB GLU 19 HB1 GLU 19 1.635 11.647 2.586 152 1HG GLU 19 HG2 GLU 19 4.538 10.974 2.181 153 2HG GLU 19 HG1 GLU 19 3.325 10.999 0.903 154 H ASP 20 HN ASP 20 1.111 10.050 5.329 155 HA ASP 20 HA ASP 20 -1.037 11.782 5.580 156 1HB ASP 20 HB2 ASP 20 -1.006 9.257 5.900 157 2HB ASP 20 HB1 ASP 20 -0.447 9.564 7.540 158 H LYS 21 HN LYS 21 1.720 11.325 7.691 159 HA LYS 21 HA LYS 21 0.650 12.846 9.867 160 1HB LYS 21 HB2 LYS 21 3.281 11.619 9.197 161 2HB LYS 21 HB1 LYS 21 3.255 12.897 10.405 162 1HG LYS 21 HG2 LYS 21 2.328 11.578 11.953 163 2HG LYS 21 HG1 LYS 21 1.204 10.853 10.802 164 1HD LYS 21 HD2 LYS 21 2.822 9.291 10.064 165 2HD LYS 21 HD1 LYS 21 4.130 10.157 10.872 166 1HE LYS 21 HE2 LYS 21 1.831 8.934 12.373 167 2HE LYS 21 HE1 LYS 21 3.295 8.030 11.987 168 1HZ LYS 21 HZ1 LYS 21 3.489 8.944 14.175 169 2HZ LYS 21 HZ2 LYS 21 3.114 10.500 13.626 170 3HZ LYS 21 HZ3 LYS 21 4.568 9.769 13.163 171 H ALA 22 HN ALA 22 2.356 13.586 6.942 172 HA ALA 22 HA ALA 22 2.968 16.296 7.857 173 1HB ALA 22 HB1 ALA 22 4.220 16.512 5.764 174 2HB ALA 22 HB2 ALA 22 3.690 14.900 5.283 175 3HB ALA 22 HB3 ALA 22 4.736 15.102 6.688 176 H LYS 23 HN LYS 23 0.203 15.341 7.327 177 HA LYS 23 HA LYS 23 -1.721 16.082 6.364 178 1HB LYS 23 HB2 LYS 23 0.029 18.514 6.011 179 2HB LYS 23 HB1 LYS 23 -1.675 18.500 5.582 180 1HG LYS 23 HG2 LYS 23 -1.085 17.544 8.291 181 2HG LYS 23 HG1 LYS 23 -0.693 19.238 7.994 182 1HD LYS 23 HD2 LYS 23 -2.848 19.676 8.375 183 2HD LYS 23 HD1 LYS 23 -3.180 18.914 6.818 184 1HE LYS 23 HE2 LYS 23 -4.551 17.647 8.112 185 2HE LYS 23 HE1 LYS 23 -3.066 16.720 8.319 186 1HZ LYS 23 HZ1 LYS 23 -4.252 17.199 10.419 187 2HZ LYS 23 HZ2 LYS 23 -3.967 18.849 10.180 188 3HZ LYS 23 HZ3 LYS 23 -2.667 17.791 10.400 189 H ASN 24 HN ASN 24 -0.320 14.397 4.747 190 HA ASN 24 HA ASN 24 -0.715 15.574 2.072 191 1HB ASN 24 HB2 ASN 24 1.428 13.751 3.103 192 2HB ASN 24 HB1 ASN 24 0.957 13.661 1.409 193 1HD2 ASN 24 HD21 ASN 24 1.273 15.476 0.079 194 2HD2 ASN 24 HD22 ASN 24 2.412 16.707 0.496 195 H TYR 25 HN TYR 25 -2.861 14.497 3.358 196 HA TYR 25 HA TYR 25 -3.375 11.798 3.144 197 1HB TYR 25 HB2 TYR 25 -5.224 14.150 2.730 198 2HB TYR 25 HB1 TYR 25 -5.784 12.484 2.827 199 HD1 TYR 25 HD1 TYR 25 -4.249 15.250 4.710 200 HD2 TYR 25 HD2 TYR 25 -5.899 11.335 4.930 201 HE1 TYR 25 HE1 TYR 25 -4.334 15.430 7.161 202 HE2 TYR 25 HE2 TYR 25 -5.989 11.504 7.381 203 HH TYR 25 HH TYR 25 -6.124 13.715 9.070 204 H GLU 26 HN GLU 26 -3.663 14.284 0.637 205 HA GLU 26 HA GLU 26 -4.792 12.671 -1.360 206 1HB GLU 26 HB2 GLU 26 -3.865 14.366 -2.944 207 2HB GLU 26 HB1 GLU 26 -4.790 15.057 -1.617 208 1HG GLU 26 HG2 GLU 26 -3.048 16.449 -1.449 209 2HG GLU 26 HG1 GLU 26 -2.305 15.116 -0.568 210 H GLU 27 HN GLU 27 -1.415 13.327 -0.527 211 HA GLU 27 HA GLU 27 -0.327 11.811 -2.680 212 1HB GLU 27 HB2 GLU 27 0.764 13.658 -1.168 213 2HB GLU 27 HB1 GLU 27 1.171 12.296 -0.133 214 1HG GLU 27 HG2 GLU 27 3.006 12.111 -1.369 215 2HG GLU 27 HG1 GLU 27 1.956 11.419 -2.605 216 H ALA 28 HN ALA 28 -0.977 11.136 0.732 217 HA ALA 28 HA ALA 28 0.200 8.606 0.883 218 1HB ALA 28 HB1 ALA 28 -1.024 10.212 2.661 219 2HB ALA 28 HB2 ALA 28 -0.674 8.509 2.962 220 3HB ALA 28 HB3 ALA 28 -2.282 8.999 2.426 221 H LEU 29 HN LEU 29 -2.892 9.631 -0.394 222 HA LEU 29 HA LEU 29 -4.176 7.137 -0.496 223 1HB LEU 29 HB2 LEU 29 -5.201 9.414 -0.881 224 2HB LEU 29 HB1 LEU 29 -4.506 9.373 -2.490 225 HG LEU 29 HG LEU 29 -5.828 7.046 -2.558 226 1HD1 LEU 29 HD11 LEU 29 -6.623 7.540 -0.179 227 2HD1 LEU 29 HD12 LEU 29 -7.835 7.047 -1.362 228 3HD1 LEU 29 HD13 LEU 29 -7.675 8.746 -0.919 229 1HD2 LEU 29 HD21 LEU 29 -5.979 9.251 -3.948 230 2HD2 LEU 29 HD22 LEU 29 -7.431 9.527 -2.985 231 3HD2 LEU 29 HD23 LEU 29 -7.301 8.083 -3.990 232 H ARG 30 HN ARG 30 -2.347 8.853 -3.030 233 HA ARG 30 HA ARG 30 -2.464 6.731 -4.897 234 1HB ARG 30 HB2 ARG 30 -0.871 9.244 -4.640 235 2HB ARG 30 HB1 ARG 30 -0.358 8.037 -5.811 236 1HG ARG 30 HG2 ARG 30 -1.708 9.406 -7.074 237 2HG ARG 30 HG1 ARG 30 -2.823 8.121 -6.604 238 1HD ARG 30 HD2 ARG 30 -3.910 9.461 -5.049 239 2HD ARG 30 HD1 ARG 30 -2.559 10.589 -4.932 240 HE ARG 30 HE ARG 30 -3.417 11.743 -6.711 241 1HH1 ARG 30 HH11 ARG 30 -4.934 8.604 -6.571 242 2HH1 ARG 30 HH12 ARG 30 -6.094 8.971 -7.804 243 1HH2 ARG 30 HH21 ARG 30 -4.942 12.229 -8.331 244 2HH2 ARG 30 HH22 ARG 30 -6.099 11.029 -8.803 245 H LEU 31 HN LEU 31 -0.197 7.579 -2.355 246 HA LEU 31 HA LEU 31 1.835 5.745 -3.134 247 1HB LEU 31 HB2 LEU 31 1.290 7.512 -0.838 248 2HB LEU 31 HB1 LEU 31 2.258 6.096 -0.471 249 HG LEU 31 HG LEU 31 3.627 8.080 -0.988 250 1HD1 LEU 31 HD11 LEU 31 4.051 6.170 -3.240 251 2HD1 LEU 31 HD12 LEU 31 4.211 5.610 -1.575 252 3HD1 LEU 31 HD13 LEU 31 5.229 6.923 -2.166 253 1HD2 LEU 31 HD21 LEU 31 2.691 7.836 -3.829 254 2HD2 LEU 31 HD22 LEU 31 3.642 9.121 -3.086 255 3HD2 LEU 31 HD23 LEU 31 1.933 8.948 -2.689 256 H TYR 32 HN TYR 32 -0.968 5.561 -1.024 257 HA TYR 32 HA TYR 32 -0.281 3.003 0.069 258 1HB TYR 32 HB2 TYR 32 -2.571 4.878 0.259 259 2HB TYR 32 HB1 TYR 32 -2.922 3.181 0.569 260 HD1 TYR 32 HD1 TYR 32 -2.218 6.128 2.154 261 HD2 TYR 32 HD2 TYR 32 -0.913 2.078 2.110 262 HE1 TYR 32 HE1 TYR 32 -1.374 6.382 4.449 263 HE2 TYR 32 HE2 TYR 32 -0.066 2.320 4.406 264 HH TYR 32 HH TYR 32 -0.915 4.381 6.473 265 H GLN 33 HN GLN 33 -2.381 4.157 -2.526 266 HA GLN 33 HA GLN 33 -3.546 1.640 -3.116 267 1HB GLN 33 HB2 GLN 33 -3.374 4.283 -4.486 268 2HB GLN 33 HB1 GLN 33 -3.863 2.887 -5.435 269 1HG GLN 33 HG2 GLN 33 -5.412 2.677 -3.174 270 2HG GLN 33 HG1 GLN 33 -5.343 4.415 -3.459 271 1HE2 GLN 33 HE21 GLN 33 -7.011 5.098 -4.575 272 2HE2 GLN 33 HE22 GLN 33 -7.797 4.258 -5.865 273 H HIS 34 HN HIS 34 -0.667 3.310 -4.250 274 HA HIS 34 HA HIS 34 -0.080 1.596 -6.415 275 1HB HIS 34 HB2 HIS 34 1.365 3.666 -4.867 276 2HB HIS 34 HB1 HIS 34 2.370 2.492 -5.711 277 HD1 HIS 34 HD1 HIS 34 2.900 3.081 -8.051 278 HD2 HIS 34 HD2 HIS 34 -0.599 4.909 -6.752 279 HE1 HIS 34 HE1 HIS 34 2.164 4.553 -9.953 280 HE2 HIS 34 HE2 HIS 34 0.001 5.585 -9.176 281 H ALA 35 HN ALA 35 0.996 1.594 -3.031 282 HA ALA 35 HA ALA 35 2.779 -0.549 -3.186 283 1HB ALA 35 HB1 ALA 35 2.961 -0.339 -0.949 284 2HB ALA 35 HB2 ALA 35 1.215 -0.330 -0.699 285 3HB ALA 35 HB3 ALA 35 2.039 1.139 -1.224 286 H VAL 36 HN VAL 36 -0.717 -0.502 -2.741 287 HA VAL 36 HA VAL 36 -1.025 -3.239 -2.110 288 HB VAL 36 HB VAL 36 -3.052 -1.467 -3.480 289 1HG1 VAL 36 HG11 VAL 36 -3.892 -3.494 -1.524 290 2HG1 VAL 36 HG12 VAL 36 -3.205 -4.133 -3.018 291 3HG1 VAL 36 HG13 VAL 36 -4.597 -3.052 -3.079 292 1HG2 VAL 36 HG21 VAL 36 -3.486 -0.388 -1.558 293 2HG2 VAL 36 HG22 VAL 36 -1.854 -0.880 -1.107 294 3HG2 VAL 36 HG23 VAL 36 -3.239 -1.832 -0.576 295 H GLU 37 HN GLU 37 -0.735 -1.506 -5.130 296 HA GLU 37 HA GLU 37 -1.665 -3.596 -6.817 297 1HB GLU 37 HB2 GLU 37 0.037 -1.159 -7.328 298 2HB GLU 37 HB1 GLU 37 -0.417 -2.283 -8.603 299 1HG GLU 37 HG2 GLU 37 -2.608 -1.231 -6.928 300 2HG GLU 37 HG1 GLU 37 -1.815 -0.087 -8.010 301 H TYR 38 HN TYR 38 1.473 -2.717 -5.510 302 HA TYR 38 HA TYR 38 2.971 -4.528 -7.128 303 1HB TYR 38 HB2 TYR 38 3.545 -2.885 -4.691 304 2HB TYR 38 HB1 TYR 38 4.685 -4.136 -5.178 305 HD1 TYR 38 HD1 TYR 38 3.353 -0.841 -5.915 306 HD2 TYR 38 HD2 TYR 38 5.841 -3.974 -7.362 307 HE1 TYR 38 HE1 TYR 38 4.353 0.711 -7.539 308 HE2 TYR 38 HE2 TYR 38 6.848 -2.431 -8.990 309 HH TYR 38 HH TYR 38 6.429 0.931 -8.840 310 H PHE 39 HN PHE 39 1.554 -4.674 -3.899 311 HA PHE 39 HA PHE 39 2.695 -7.116 -3.101 312 1HB PHE 39 HB2 PHE 39 0.313 -5.524 -2.255 313 2HB PHE 39 HB1 PHE 39 0.472 -7.176 -1.671 314 HD1 PHE 39 HD1 PHE 39 3.010 -7.694 -0.851 315 HD2 PHE 39 HD2 PHE 39 1.084 -3.898 -0.848 316 HE1 PHE 39 HE1 PHE 39 4.537 -6.924 0.917 317 HE2 PHE 39 HE2 PHE 39 2.609 -3.122 0.919 318 HZ PHE 39 HZ PHE 39 4.338 -4.635 1.805 319 H LEU 40 HN LEU 40 -0.465 -6.418 -4.582 320 HA LEU 40 HA LEU 40 -1.393 -9.050 -4.707 321 1HB LEU 40 HB2 LEU 40 -2.028 -6.508 -6.095 322 2HB LEU 40 HB1 LEU 40 -2.588 -7.983 -6.861 323 HG LEU 40 HG LEU 40 -3.183 -7.693 -3.972 324 1HD1 LEU 40 HD11 LEU 40 -3.691 -5.465 -4.610 325 2HD1 LEU 40 HD12 LEU 40 -5.220 -6.342 -4.549 326 3HD1 LEU 40 HD13 LEU 40 -4.463 -5.998 -6.104 327 1HD2 LEU 40 HD21 LEU 40 -5.150 -8.874 -4.546 328 2HD2 LEU 40 HD22 LEU 40 -3.841 -9.624 -5.462 329 3HD2 LEU 40 HD23 LEU 40 -4.953 -8.513 -6.262 330 H HIS 41 HN HIS 41 0.482 -7.171 -7.058 331 HA HIS 41 HA HIS 41 0.519 -9.103 -9.097 332 1HB HIS 41 HB2 HIS 41 1.200 -6.638 -9.226 333 2HB HIS 41 HB1 HIS 41 2.754 -7.149 -8.575 334 HD1 HIS 41 HD1 HIS 41 1.316 -6.377 -11.660 335 HD2 HIS 41 HD2 HIS 41 3.720 -9.497 -10.340 336 HE1 HIS 41 HE1 HIS 41 2.370 -7.338 -13.730 337 HE2 HIS 41 HE2 HIS 41 3.888 -9.168 -12.900 338 H ALA 42 HN ALA 42 2.431 -8.724 -6.202 339 HA ALA 42 HA ALA 42 4.509 -10.520 -6.954 340 1HB ALA 42 HB1 ALA 42 4.957 -8.875 -5.276 341 2HB ALA 42 HB2 ALA 42 5.088 -10.460 -4.535 342 3HB ALA 42 HB3 ALA 42 3.652 -9.484 -4.260 343 H ILE 43 HN ILE 43 1.379 -10.860 -5.447 344 HA ILE 43 HA ILE 43 1.824 -13.530 -4.487 345 HB ILE 43 HB ILE 43 -0.825 -12.160 -4.952 346 1HG1 ILE 43 HG12 ILE 43 0.501 -12.280 -2.275 347 2HG1 ILE 43 HG11 ILE 43 1.013 -11.040 -3.414 348 1HG2 ILE 43 HG21 ILE 43 -1.431 -13.700 -2.988 349 2HG2 ILE 43 HG22 ILE 43 0.037 -14.580 -3.414 350 3HG2 ILE 43 HG23 ILE 43 -1.265 -14.420 -4.592 351 1HD1 ILE 43 HD11 ILE 43 -1.814 -11.040 -3.355 352 2HD1 ILE 43 HD12 ILE 43 -0.699 -9.796 -2.805 353 3HD1 ILE 43 HD13 ILE 43 -1.232 -11.050 -1.691 354 H LYS 44 HN LYS 44 -0.068 -12.150 -7.175 355 HA LYS 44 HA LYS 44 -0.941 -14.570 -8.257 356 1HB LYS 44 HB2 LYS 44 -1.082 -11.820 -8.938 357 2HB LYS 44 HB1 LYS 44 -0.502 -12.680 -10.360 358 1HG LYS 44 HG2 LYS 44 -2.452 -14.270 -10.000 359 2HG LYS 44 HG1 LYS 44 -3.073 -13.080 -8.867 360 1HD LYS 44 HD2 LYS 44 -2.236 -12.010 -11.480 361 2HD LYS 44 HD1 LYS 44 -3.638 -13.090 -11.510 362 1HE LYS 44 HE2 LYS 44 -4.353 -11.570 -9.453 363 2HE LYS 44 HE1 LYS 44 -3.312 -10.410 -10.270 364 1HZ LYS 44 HZ1 LYS 44 -4.628 -10.620 -12.250 365 2HZ LYS 44 HZ2 LYS 44 -5.654 -10.260 -10.950 366 3HZ LYS 44 HZ3 LYS 44 -5.575 -11.840 -11.550 367 H TYR 45 HN TYR 45 1.842 -12.560 -9.225 368 HA TYR 45 HA TYR 45 2.813 -14.460 -11.110 369 1HB TYR 45 HB2 TYR 45 3.910 -11.970 -9.859 370 2HB TYR 45 HB1 TYR 45 4.976 -13.010 -10.790 371 HD1 TYR 45 HD1 TYR 45 5.324 -12.310 -12.950 372 HD2 TYR 45 HD2 TYR 45 1.512 -11.650 -11.180 373 HE1 TYR 45 HE1 TYR 45 4.552 -11.260 -15.030 374 HE2 TYR 45 HE2 TYR 45 0.728 -10.590 -13.260 375 HH TYR 45 HH TYR 45 2.218 -10.900 -16.150 376 H GLU 46 HN GLU 46 4.277 -13.390 -8.038 377 HA GLU 46 HA GLU 46 5.676 -15.950 -7.878 378 1HB GLU 46 HB2 GLU 46 6.107 -13.250 -6.661 379 2HB GLU 46 HB1 GLU 46 6.775 -14.670 -5.862 380 1HG GLU 46 HG2 GLU 46 7.401 -14.800 -8.639 381 2HG GLU 46 HG1 GLU 46 7.846 -13.210 -8.018 382 H ALA 47 HN ALA 47 3.814 -17.170 -7.257 383 HA ALA 47 HA ALA 47 2.452 -16.540 -4.797 384 1HB ALA 47 HB1 ALA 47 1.395 -17.660 -6.802 385 2HB ALA 47 HB2 ALA 47 1.076 -18.400 -5.235 386 3HB ALA 47 HB3 ALA 47 2.264 -19.120 -6.325 387 H HIS 48 HN HIS 48 3.241 -16.980 -2.857 388 HA HIS 48 HA HIS 48 5.266 -19.080 -2.581 389 1HB HIS 48 HB2 HIS 48 4.901 -16.480 -1.412 390 2HB HIS 48 HB1 HIS 48 4.955 -17.690 -0.137 391 HD1 HIS 48 HD1 HIS 48 7.088 -15.740 -2.349 392 HD2 HIS 48 HD2 HIS 48 7.390 -19.320 -0.250 393 HE1 HIS 48 HE1 HIS 48 9.547 -16.260 -2.251 394 HE2 HIS 48 HE2 HIS 48 9.699 -18.470 -1.054 395 H SER 49 HN SER 49 5.046 -19.660 0.095 396 HA SER 49 HA SER 49 3.027 -21.620 0.117 397 1HB SER 49 HB2 SER 49 5.010 -20.580 2.068 398 2HB SER 49 HB1 SER 49 3.629 -21.450 2.732 399 HG SER 49 HG SER 49 5.271 -22.910 2.282 400 H ASP 50 HN ASP 50 1.448 -21.780 2.038 401 HA ASP 50 HA ASP 50 -0.521 -19.820 1.738 402 1HB ASP 50 HB2 ASP 50 -0.120 -21.950 3.842 403 2HB ASP 50 HB1 ASP 50 -1.542 -20.910 3.798 404 H LYS 51 HN LYS 51 2.023 -20.190 4.137 405 HA LYS 51 HA LYS 51 1.127 -18.300 6.003 406 1HB LYS 51 HB2 LYS 51 3.428 -19.900 5.618 407 2HB LYS 51 HB1 LYS 51 3.994 -18.250 5.825 408 1HG LYS 51 HG2 LYS 51 2.767 -18.080 7.925 409 2HG LYS 51 HG1 LYS 51 2.176 -19.730 7.714 410 1HD LYS 51 HD2 LYS 51 4.859 -20.090 7.442 411 2HD LYS 51 HD1 LYS 51 4.802 -18.760 8.607 412 1HE LYS 51 HE2 LYS 51 4.621 -20.440 10.098 413 2HE LYS 51 HE1 LYS 51 2.918 -20.370 9.646 414 1HZ LYS 51 HZ1 LYS 51 4.943 -22.200 8.462 415 2HZ LYS 51 HZ2 LYS 51 3.303 -22.140 8.048 416 3HZ LYS 51 HZ3 LYS 51 3.767 -22.640 9.596 417 H ALA 52 HN ALA 52 3.272 -17.920 3.198 418 HA ALA 52 HA ALA 52 3.617 -15.110 3.587 419 1HB ALA 52 HB1 ALA 52 4.991 -16.960 2.198 420 2HB ALA 52 HB2 ALA 52 5.122 -15.230 1.911 421 3HB ALA 52 HB3 ALA 52 4.071 -16.220 0.893 422 H LYS 53 HN LYS 53 1.614 -17.100 1.447 423 HA LYS 53 HA LYS 53 0.501 -15.020 -0.068 424 1HB LYS 53 HB2 LYS 53 0.372 -17.500 -0.546 425 2HB LYS 53 HB1 LYS 53 -0.892 -17.590 0.673 426 1HG LYS 53 HG2 LYS 53 -2.395 -16.370 -0.608 427 2HG LYS 53 HG1 LYS 53 -1.122 -15.690 -1.628 428 1HD LYS 53 HD2 LYS 53 -1.119 -17.470 -3.007 429 2HD LYS 53 HD1 LYS 53 -1.299 -18.620 -1.682 430 1HE LYS 53 HE2 LYS 53 -3.537 -18.690 -1.886 431 2HE LYS 53 HE1 LYS 53 -3.664 -16.960 -2.191 432 1HZ LYS 53 HZ1 LYS 53 -3.736 -17.300 -4.375 433 2HZ LYS 53 HZ2 LYS 53 -3.995 -18.940 -4.033 434 3HZ LYS 53 HZ3 LYS 53 -2.432 -18.380 -4.356 435 H GLU 54 HN GLU 54 -0.564 -16.520 2.960 436 HA GLU 54 HA GLU 54 -2.964 -15.000 3.162 437 1HB GLU 54 HB2 GLU 54 -1.398 -16.750 5.016 438 2HB GLU 54 HB1 GLU 54 -2.676 -15.730 5.669 439 1HG GLU 54 HG2 GLU 54 -4.312 -16.800 4.275 440 2HG GLU 54 HG1 GLU 54 -3.062 -17.710 3.435 441 H SER 55 HN SER 55 0.296 -14.630 4.473 442 HA SER 55 HA SER 55 -0.205 -12.480 6.197 443 1HB SER 55 HB2 SER 55 2.241 -13.470 4.770 444 2HB SER 55 HB1 SER 55 2.304 -11.960 5.669 445 HG SER 55 HG SER 55 2.894 -13.720 6.980 446 H ILE 56 HN ILE 56 0.715 -12.520 2.773 447 HA ILE 56 HA ILE 56 0.850 -9.692 2.519 448 HB ILE 56 HB ILE 56 0.399 -11.690 0.307 449 1HG1 ILE 56 HG12 ILE 56 3.111 -10.630 0.934 450 2HG1 ILE 56 HG11 ILE 56 2.468 -11.890 1.991 451 1HG2 ILE 56 HG21 ILE 56 1.991 -9.251 -0.112 452 2HG2 ILE 56 HG22 ILE 56 0.262 -9.015 0.141 453 3HG2 ILE 56 HG23 ILE 56 0.828 -10.040 -1.173 454 1HD1 ILE 56 HD11 ILE 56 3.077 -12.030 -0.935 455 2HD1 ILE 56 HD12 ILE 56 2.018 -13.200 -0.145 456 3HD1 ILE 56 HD13 ILE 56 3.694 -13.030 0.380 457 H ARG 57 HN ARG 57 -1.637 -12.100 1.772 458 HA ARG 57 HA ARG 57 -3.486 -10.390 0.554 459 1HB ARG 57 HB2 ARG 57 -3.416 -13.030 0.933 460 2HB ARG 57 HB1 ARG 57 -4.490 -12.610 2.262 461 1HG ARG 57 HG2 ARG 57 -6.069 -12.890 0.687 462 2HG ARG 57 HG1 ARG 57 -5.661 -11.220 0.296 463 1HD ARG 57 HD2 ARG 57 -4.208 -11.920 -1.473 464 2HD ARG 57 HD1 ARG 57 -4.372 -13.610 -1.003 465 HE ARG 57 HE ARG 57 -6.356 -13.700 -2.142 466 1HH1 ARG 57 HH11 ARG 57 -5.460 -10.360 -1.695 467 2HH1 ARG 57 HH12 ARG 57 -6.715 -9.760 -2.725 468 1HH2 ARG 57 HH21 ARG 57 -8.007 -12.910 -3.497 469 2HH2 ARG 57 HH22 ARG 57 -8.160 -11.200 -3.748 470 H ALA 58 HN ALA 58 -3.012 -11.220 3.958 471 HA ALA 58 HA ALA 58 -5.272 -9.816 4.926 472 1HB ALA 58 HB1 ALA 58 -4.175 -10.030 7.136 473 2HB ALA 58 HB2 ALA 58 -2.745 -10.670 6.328 474 3HB ALA 58 HB3 ALA 58 -4.270 -11.550 6.254 475 H LYS 59 HN LYS 59 -1.999 -8.882 4.155 476 HA LYS 59 HA LYS 59 -2.056 -6.392 5.554 477 1HB LYS 59 HB2 LYS 59 -0.234 -7.714 3.606 478 2HB LYS 59 HB1 LYS 59 -0.106 -5.971 3.791 479 1HG LYS 59 HG2 LYS 59 0.398 -6.181 6.114 480 2HG LYS 59 HG1 LYS 59 0.049 -7.911 6.083 481 1HD LYS 59 HD2 LYS 59 2.286 -8.093 5.846 482 2HD LYS 59 HD1 LYS 59 1.930 -7.757 4.150 483 1HE LYS 59 HE2 LYS 59 2.559 -5.513 4.343 484 2HE LYS 59 HE1 LYS 59 2.447 -5.540 6.103 485 1HZ LYS 59 HZ1 LYS 59 4.481 -6.995 4.500 486 2HZ LYS 59 HZ2 LYS 59 4.391 -6.947 6.188 487 3HZ LYS 59 HZ3 LYS 59 4.746 -5.539 5.321 488 H CYS 60 HN CYS 60 -2.844 -7.440 2.298 489 HA CYS 60 HA CYS 60 -3.036 -4.878 1.124 490 1HB CYS 60 HB2 CYS 60 -3.945 -7.622 0.420 491 2HB CYS 60 HB1 CYS 60 -4.725 -6.277 -0.406 492 HG CYS 60 HG CYS 60 -1.980 -5.679 -0.875 493 H VAL 61 HN VAL 61 -5.387 -6.932 2.778 494 HA VAL 61 HA VAL 61 -7.669 -5.372 2.234 495 HB VAL 61 HB VAL 61 -7.229 -7.070 4.690 496 1HG1 VAL 61 HG11 VAL 61 -9.705 -6.179 3.219 497 2HG1 VAL 61 HG12 VAL 61 -9.212 -5.738 4.854 498 3HG1 VAL 61 HG13 VAL 61 -9.692 -7.397 4.496 499 1HG2 VAL 61 HG21 VAL 61 -7.569 -7.810 1.860 500 2HG2 VAL 61 HG22 VAL 61 -8.598 -8.673 3.003 501 3HG2 VAL 61 HG23 VAL 61 -6.845 -8.711 3.191 502 H GLN 62 HN GLN 62 -5.257 -5.231 4.798 503 HA GLN 62 HA GLN 62 -6.647 -3.303 6.373 504 1HB GLN 62 HB2 GLN 62 -4.413 -4.918 6.715 505 2HB GLN 62 HB1 GLN 62 -3.753 -3.288 6.701 506 1HG GLN 62 HG2 GLN 62 -5.271 -2.641 8.486 507 2HG GLN 62 HG1 GLN 62 -5.975 -4.257 8.485 508 1HE2 GLN 62 HE21 GLN 62 -4.763 -2.951 10.698 509 2HE2 GLN 62 HE22 GLN 62 -3.389 -3.888 11.167 510 H TYR 63 HN TYR 63 -4.157 -3.132 3.880 511 HA TYR 63 HA TYR 63 -3.680 -0.339 4.155 512 1HB TYR 63 HB2 TYR 63 -3.054 -2.348 2.000 513 2HB TYR 63 HB1 TYR 63 -2.671 -0.640 1.810 514 HD1 TYR 63 HD1 TYR 63 -1.221 -3.622 2.540 515 HD2 TYR 63 HD2 TYR 63 -1.542 0.287 4.187 516 HE1 TYR 63 HE1 TYR 63 0.887 -3.968 3.758 517 HE2 TYR 63 HE2 TYR 63 0.565 -0.047 5.409 518 HH TYR 63 HH TYR 63 2.676 -2.631 4.760 519 H LEU 64 HN LEU 64 -5.735 -2.282 2.031 520 HA LEU 64 HA LEU 64 -6.610 -0.231 0.341 521 1HB LEU 64 HB2 LEU 64 -7.007 -2.894 0.441 522 2HB LEU 64 HB1 LEU 64 -8.557 -2.344 1.047 523 HG LEU 64 HG LEU 64 -8.556 -2.756 -1.392 524 1HD1 LEU 64 HD11 LEU 64 -8.970 0.120 -0.589 525 2HD1 LEU 64 HD12 LEU 64 -10.140 -1.187 -0.423 526 3HD1 LEU 64 HD13 LEU 64 -9.635 -0.655 -2.026 527 1HD2 LEU 64 HD21 LEU 64 -6.092 -1.681 -1.423 528 2HD2 LEU 64 HD22 LEU 64 -7.040 -0.283 -1.929 529 3HD2 LEU 64 HD23 LEU 64 -7.128 -1.786 -2.847 530 H ASP 65 HN ASP 65 -7.839 -1.341 3.462 531 HA ASP 65 HA ASP 65 -10.150 0.302 3.461 532 1HB ASP 65 HB2 ASP 65 -9.300 -1.770 5.003 533 2HB ASP 65 HB1 ASP 65 -8.994 -0.412 6.081 534 H ARG 66 HN ARG 66 -6.847 0.755 4.539 535 HA ARG 66 HA ARG 66 -7.271 3.115 6.036 536 1HB ARG 66 HB2 ARG 66 -4.900 1.776 4.811 537 2HB ARG 66 HB1 ARG 66 -4.733 3.438 5.363 538 1HG ARG 66 HG2 ARG 66 -6.034 1.783 7.346 539 2HG ARG 66 HG1 ARG 66 -4.459 1.137 6.884 540 1HD ARG 66 HD2 ARG 66 -3.866 2.576 8.575 541 2HD ARG 66 HD1 ARG 66 -3.688 3.620 7.165 542 HE ARG 66 HE ARG 66 -6.259 4.020 7.983 543 1HH1 ARG 66 HH11 ARG 66 -3.136 4.258 9.520 544 2HH1 ARG 66 HH12 ARG 66 -3.629 5.509 10.612 545 1HH2 ARG 66 HH21 ARG 66 -6.909 5.666 9.416 546 2HH2 ARG 66 HH22 ARG 66 -5.771 6.309 10.552 547 H ALA 67 HN ALA 67 -6.237 2.594 2.676 548 HA ALA 67 HA ALA 67 -5.913 5.284 1.975 549 1HB ALA 67 HB1 ALA 67 -5.042 3.512 0.588 550 2HB ALA 67 HB2 ALA 67 -6.154 4.503 -0.358 551 3HB ALA 67 HB3 ALA 67 -6.672 2.930 0.250 552 H GLU 68 HN GLU 68 -8.771 3.297 2.223 553 HA GLU 68 HA GLU 68 -10.520 4.899 0.705 554 1HB GLU 68 HB2 GLU 68 -10.710 2.491 1.988 555 2HB GLU 68 HB1 GLU 68 -11.700 3.516 3.015 556 1HG GLU 68 HG2 GLU 68 -13.360 3.104 1.597 557 2HG GLU 68 HG1 GLU 68 -12.530 4.184 0.477 558 H LYS 69 HN LYS 69 -9.738 4.877 4.162 559 HA LYS 69 HA LYS 69 -11.570 6.929 4.861 560 1HB LYS 69 HB2 LYS 69 -9.997 5.157 6.255 561 2HB LYS 69 HB1 LYS 69 -9.201 6.693 6.570 562 1HG LYS 69 HG2 LYS 69 -10.890 7.466 7.841 563 2HG LYS 69 HG1 LYS 69 -12.130 6.679 6.861 564 1HD LYS 69 HD2 LYS 69 -11.140 4.488 7.880 565 2HD LYS 69 HD1 LYS 69 -10.510 5.578 9.117 566 1HE LYS 69 HE2 LYS 69 -12.500 5.230 10.107 567 2HE LYS 69 HE1 LYS 69 -13.070 6.428 8.949 568 1HZ LYS 69 HZ1 LYS 69 -14.540 4.684 8.690 569 2HZ LYS 69 HZ2 LYS 69 -13.360 3.495 8.870 570 3HZ LYS 69 HZ3 LYS 69 -13.440 4.397 7.442 571 H LEU 70 HN LEU 70 -8.295 6.919 3.671 572 HA LEU 70 HA LEU 70 -7.588 9.554 4.401 573 1HB LEU 70 HB2 LEU 70 -6.617 7.836 2.116 574 2HB LEU 70 HB1 LEU 70 -5.870 9.341 2.618 575 HG LEU 70 HG LEU 70 -6.151 6.978 4.465 576 1HD1 LEU 70 HD11 LEU 70 -4.696 6.850 2.199 577 2HD1 LEU 70 HD12 LEU 70 -4.260 6.030 3.698 578 3HD1 LEU 70 HD13 LEU 70 -3.520 7.578 3.292 579 1HD2 LEU 70 HD21 LEU 70 -5.796 9.148 5.529 580 2HD2 LEU 70 HD22 LEU 70 -4.372 9.413 4.523 581 3HD2 LEU 70 HD23 LEU 70 -4.383 8.108 5.709 582 H LYS 71 HN LYS 71 -9.126 8.206 1.516 583 HA LYS 71 HA LYS 71 -9.163 10.630 0.044 584 1HB LYS 71 HB2 LYS 71 -9.583 8.086 -0.642 585 2HB LYS 71 HB1 LYS 71 -11.250 8.571 -0.424 586 1HG LYS 71 HG2 LYS 71 -10.290 10.618 -1.933 587 2HG LYS 71 HG1 LYS 71 -9.360 9.248 -2.542 588 1HD LYS 71 HD2 LYS 71 -11.880 8.204 -2.383 589 2HD LYS 71 HD1 LYS 71 -12.200 9.877 -2.844 590 1HE LYS 71 HE2 LYS 71 -10.780 9.680 -4.768 591 2HE LYS 71 HE1 LYS 71 -10.240 8.078 -4.264 592 1HZ LYS 71 HZ1 LYS 71 -13.070 8.713 -4.897 593 2HZ LYS 71 HZ2 LYS 71 -12.380 7.184 -4.689 594 3HZ LYS 71 HZ3 LYS 71 -11.980 8.117 -6.043 595 H ASP 72 HN ASP 72 -11.540 9.021 2.117 596 HA ASP 72 HA ASP 72 -13.610 10.905 1.682 597 1HB ASP 72 HB2 ASP 72 -13.300 8.484 3.096 598 2HB ASP 72 HB1 ASP 72 -13.820 9.680 4.281 599 H TYR 73 HN TYR 73 -10.880 10.812 3.832 600 HA TYR 73 HA TYR 73 -11.780 12.766 5.676 601 1HB TYR 73 HB2 TYR 73 -9.958 11.196 6.184 602 2HB TYR 73 HB1 TYR 73 -8.955 11.978 4.966 603 HD1 TYR 73 HD1 TYR 73 -8.288 14.388 5.313 604 HD2 TYR 73 HD2 TYR 73 -10.090 12.052 8.376 605 HE1 TYR 73 HE1 TYR 73 -7.477 15.982 6.999 606 HE2 TYR 73 HE2 TYR 73 -9.287 13.642 10.071 607 HH TYR 73 HH TYR 73 -6.943 15.961 9.449 608 H LEU 74 HN LEU 74 -9.601 12.969 2.873 609 HA LEU 74 HA LEU 74 -9.285 15.793 3.073 610 1HB LEU 74 HB2 LEU 74 -8.238 15.610 0.846 611 2HB LEU 74 HB1 LEU 74 -7.571 14.485 2.014 612 HG LEU 74 HG LEU 74 -9.399 12.877 0.899 613 1HD1 LEU 74 HD11 LEU 74 -9.450 13.250 -1.520 614 2HD1 LEU 74 HD12 LEU 74 -8.616 14.788 -1.297 615 3HD1 LEU 74 HD13 LEU 74 -10.230 14.560 -0.640 616 1HD2 LEU 74 HD21 LEU 74 -6.587 13.509 0.087 617 2HD2 LEU 74 HD22 LEU 74 -7.502 12.239 -0.727 618 3HD2 LEU 74 HD23 LEU 74 -7.201 12.135 1.007 619 H ARG 75 HN ARG 75 -11.540 13.692 1.443 620 HA ARG 75 HA ARG 75 -12.570 15.622 -0.370 621 1HB ARG 75 HB2 ARG 75 -13.240 12.894 0.481 622 2HB ARG 75 HB1 ARG 75 -14.640 13.864 0.022 623 1HG ARG 75 HG2 ARG 75 -12.840 14.375 -1.994 624 2HG ARG 75 HG1 ARG 75 -12.570 12.671 -1.630 625 1HD ARG 75 HD2 ARG 75 -15.240 12.668 -1.647 626 2HD ARG 75 HD1 ARG 75 -14.960 14.023 -2.741 627 HE ARG 75 HE ARG 75 -13.320 12.100 -3.715 628 1HH1 ARG 75 HH11 ARG 75 -16.720 12.163 -2.899 629 2HH1 ARG 75 HH12 ARG 75 -17.160 10.989 -4.096 630 1HH2 ARG 75 HH21 ARG 75 -13.900 10.556 -5.289 631 2HH2 ARG 75 HH22 ARG 75 -15.560 10.077 -5.452 632 H SER 76 HN SER 76 -13.860 14.336 2.694 633 HA SER 76 HA SER 76 -16.080 16.026 2.866 634 1HB SER 76 HB2 SER 76 -15.330 13.945 4.309 635 2HB SER 76 HB1 SER 76 -14.660 15.191 5.361 636 HG SER 76 HG SER 76 -16.700 14.942 6.070 637 H LYS 77 HN LYS 77 -12.950 16.361 4.558 638 HA LYS 77 HA LYS 77 -13.540 19.021 5.426 639 1HB LYS 77 HB2 LYS 77 -11.880 17.177 6.376 640 2HB LYS 77 HB1 LYS 77 -10.740 18.014 5.334 641 1HG LYS 77 HG2 LYS 77 -12.410 19.643 7.172 642 2HG LYS 77 HG1 LYS 77 -11.080 18.696 7.856 643 1HD LYS 77 HD2 LYS 77 -9.858 19.834 5.723 644 2HD LYS 77 HD1 LYS 77 -11.010 21.093 6.150 645 1HE LYS 77 HE2 LYS 77 -10.140 20.679 8.573 646 2HE LYS 77 HE1 LYS 77 -8.760 19.968 7.752 647 1HZ LYS 77 HZ1 LYS 77 -9.729 22.652 7.007 648 2HZ LYS 77 HZ2 LYS 77 -8.191 21.982 6.796 649 3HZ LYS 77 HZ3 LYS 77 -8.704 22.449 8.338 Start of MODEL 11 1 1H MET 1 HT1 MET 1 22.654 -4.583 -8.156 2 2H MET 1 HT2 MET 1 23.428 -3.478 -7.093 3 3H MET 1 HT3 MET 1 22.353 -2.901 -8.301 4 HA MET 1 HA MET 1 21.570 -4.699 -6.111 5 1HB MET 1 HB2 MET 1 22.472 -2.262 -5.631 6 2HB MET 1 HB1 MET 1 20.884 -1.790 -6.218 7 1HG MET 1 HG2 MET 1 19.829 -2.546 -4.385 8 2HG MET 1 HG1 MET 1 20.906 -3.931 -4.204 9 1HE MET 1 HE1 MET 1 20.763 -3.415 -1.411 10 2HE MET 1 HE2 MET 1 22.421 -2.975 -1.003 11 3HE MET 1 HE3 MET 1 22.112 -4.205 -2.227 12 H THR 2 HN THR 2 20.048 -5.862 -7.179 13 HA THR 2 HA THR 2 18.193 -4.531 -8.983 14 HB THR 2 HB THR 2 17.306 -6.858 -9.322 15 HG1 THR 2 HG1 THR 2 17.914 -7.799 -7.383 16 1HG2 THR 2 HG21 THR 2 20.234 -7.074 -9.729 17 2HG2 THR 2 HG22 THR 2 19.363 -5.783 -10.550 18 3HG2 THR 2 HG23 THR 2 18.903 -7.464 -10.810 19 H THR 3 HN THR 3 16.169 -3.961 -8.479 20 HA THR 3 HA THR 3 15.283 -4.243 -5.749 21 HB THR 3 HB THR 3 13.266 -2.950 -6.654 22 HG1 THR 3 HG1 THR 3 13.173 -2.792 -8.726 23 1HG2 THR 3 HG21 THR 3 15.995 -1.725 -6.959 24 2HG2 THR 3 HG22 THR 3 15.018 -1.770 -5.492 25 3HG2 THR 3 HG23 THR 3 14.476 -0.833 -6.885 26 H SER 4 HN SER 4 13.078 -4.974 -5.226 27 HA SER 4 HA SER 4 12.155 -7.127 -7.011 28 1HB SER 4 HB2 SER 4 11.720 -8.546 -5.085 29 2HB SER 4 HB1 SER 4 13.411 -8.045 -5.068 30 HG SER 4 HG SER 4 12.357 -7.859 -3.012 31 H THR 5 HN THR 5 9.906 -7.944 -6.046 32 HA THR 5 HA THR 5 8.150 -5.682 -6.273 33 HB THR 5 HB THR 5 7.338 -8.511 -5.622 34 HG1 THR 5 HG1 THR 5 7.622 -9.063 -7.662 35 1HG2 THR 5 HG21 THR 5 5.907 -6.572 -7.396 36 2HG2 THR 5 HG22 THR 5 5.642 -6.610 -5.652 37 3HG2 THR 5 HG23 THR 5 5.295 -8.037 -6.628 38 H LEU 6 HN LEU 6 9.158 -7.885 -3.722 39 HA LEU 6 HA LEU 6 7.265 -7.005 -1.792 40 1HB LEU 6 HB2 LEU 6 9.620 -8.761 -1.861 41 2HB LEU 6 HB1 LEU 6 9.360 -7.968 -0.318 42 HG LEU 6 HG LEU 6 8.332 -10.220 -0.467 43 1HD1 LEU 6 HD11 LEU 6 6.133 -8.208 -0.238 44 2HD1 LEU 6 HD12 LEU 6 7.461 -8.225 0.922 45 3HD1 LEU 6 HD13 LEU 6 6.435 -9.648 0.733 46 1HD2 LEU 6 HD21 LEU 6 6.655 -8.894 -2.587 47 2HD2 LEU 6 HD22 LEU 6 6.226 -10.410 -1.794 48 3HD2 LEU 6 HD23 LEU 6 7.694 -10.300 -2.767 49 H GLN 7 HN GLN 7 10.598 -6.100 -2.544 50 HA GLN 7 HA GLN 7 10.957 -4.348 -0.355 51 1HB GLN 7 HB2 GLN 7 12.432 -5.147 -2.707 52 2HB GLN 7 HB1 GLN 7 12.562 -3.411 -2.460 53 1HG GLN 7 HG2 GLN 7 12.912 -4.879 0.008 54 2HG GLN 7 HG1 GLN 7 14.062 -5.380 -1.231 55 1HE2 GLN 7 HE21 GLN 7 12.772 -2.577 0.468 56 2HE2 GLN 7 HE22 GLN 7 14.196 -1.607 0.327 57 H LYS 8 HN LYS 8 9.910 -3.810 -3.699 58 HA LYS 8 HA LYS 8 9.735 -1.011 -3.569 59 1HB LYS 8 HB2 LYS 8 8.456 -3.098 -5.305 60 2HB LYS 8 HB1 LYS 8 7.968 -1.414 -5.444 61 1HG LYS 8 HG2 LYS 8 10.633 -1.125 -5.574 62 2HG LYS 8 HG1 LYS 8 10.466 -2.740 -6.265 63 1HD LYS 8 HD2 LYS 8 8.467 -1.386 -7.533 64 2HD LYS 8 HD1 LYS 8 9.693 -0.128 -7.355 65 1HE LYS 8 HE2 LYS 8 10.689 -2.743 -8.268 66 2HE LYS 8 HE1 LYS 8 9.613 -1.912 -9.392 67 1HZ LYS 8 HZ1 LYS 8 11.957 -1.357 -9.747 68 2HZ LYS 8 HZ2 LYS 8 12.051 -0.724 -8.182 69 3HZ LYS 8 HZ3 LYS 8 11.047 0.007 -9.330 70 H ALA 9 HN ALA 9 7.357 -3.539 -2.870 71 HA ALA 9 HA ALA 9 5.131 -1.900 -2.458 72 1HB ALA 9 HB1 ALA 9 5.532 -4.358 -0.813 73 2HB ALA 9 HB2 ALA 9 5.360 -4.496 -2.562 74 3HB ALA 9 HB3 ALA 9 4.073 -3.761 -1.605 75 H ILE 10 HN ILE 10 7.545 -3.083 -0.130 76 HA ILE 10 HA ILE 10 6.417 -1.844 2.137 77 HB ILE 10 HB ILE 10 9.333 -2.503 1.713 78 1HG1 ILE 10 HG12 ILE 10 7.553 -4.370 3.175 79 2HG1 ILE 10 HG11 ILE 10 7.345 -4.309 1.427 80 1HG2 ILE 10 HG21 ILE 10 7.648 -2.065 4.166 81 2HG2 ILE 10 HG22 ILE 10 9.086 -1.178 3.658 82 3HG2 ILE 10 HG23 ILE 10 9.228 -2.846 4.211 83 1HD1 ILE 10 HD11 ILE 10 9.771 -5.095 2.994 84 2HD1 ILE 10 HD12 ILE 10 9.862 -4.656 1.288 85 3HD1 ILE 10 HD13 ILE 10 8.875 -6.028 1.795 86 H ASP 11 HN ASP 11 8.543 -0.683 -0.375 87 HA ASP 11 HA ASP 11 9.492 1.624 0.974 88 1HB ASP 11 HB2 ASP 11 10.170 0.404 -1.338 89 2HB ASP 11 HB1 ASP 11 9.211 1.737 -1.973 90 H LEU 12 HN LEU 12 6.597 0.912 -0.842 91 HA LEU 12 HA LEU 12 5.791 3.637 -1.177 92 1HB LEU 12 HB2 LEU 12 4.578 0.966 -1.652 93 2HB LEU 12 HB1 LEU 12 3.488 2.331 -1.500 94 HG LEU 12 HG LEU 12 4.025 1.853 -3.841 95 1HD1 LEU 12 HD11 LEU 12 3.588 4.184 -2.993 96 2HD1 LEU 12 HD12 LEU 12 4.465 4.077 -4.520 97 3HD1 LEU 12 HD13 LEU 12 5.333 4.436 -3.028 98 1HD2 LEU 12 HD21 LEU 12 6.397 2.500 -4.567 99 2HD2 LEU 12 HD22 LEU 12 6.164 0.919 -3.821 100 3HD2 LEU 12 HD23 LEU 12 6.837 2.249 -2.878 101 H VAL 13 HN VAL 13 4.881 1.022 1.043 102 HA VAL 13 HA VAL 13 2.905 2.419 2.460 103 HB VAL 13 HB VAL 13 4.720 0.299 3.610 104 1HG1 VAL 13 HG11 VAL 13 1.913 1.172 4.284 105 2HG1 VAL 13 HG12 VAL 13 3.357 1.384 5.276 106 3HG1 VAL 13 HG13 VAL 13 2.724 -0.234 4.975 107 1HG2 VAL 13 HG21 VAL 13 2.304 0.050 1.836 108 2HG2 VAL 13 HG22 VAL 13 2.866 -1.264 2.871 109 3HG2 VAL 13 HG23 VAL 13 3.912 -0.634 1.598 110 H THR 14 HN THR 14 6.387 2.451 2.701 111 HA THR 14 HA THR 14 6.553 3.668 5.263 112 HB THR 14 HB THR 14 8.584 3.805 3.031 113 HG1 THR 14 HG1 THR 14 8.246 1.814 5.020 114 1HG2 THR 14 HG21 THR 14 10.201 3.758 4.931 115 2HG2 THR 14 HG22 THR 14 8.836 4.034 6.014 116 3HG2 THR 14 HG23 THR 14 9.252 5.239 4.795 117 H LYS 15 HN LYS 15 6.620 4.944 1.955 118 HA LYS 15 HA LYS 15 6.959 7.658 2.771 119 1HB LYS 15 HB2 LYS 15 6.429 6.238 0.212 120 2HB LYS 15 HB1 LYS 15 6.021 7.945 0.288 121 1HG LYS 15 HG2 LYS 15 8.155 8.573 0.180 122 2HG LYS 15 HG1 LYS 15 8.663 7.362 1.358 123 1HD LYS 15 HD2 LYS 15 8.829 5.682 -0.313 124 2HD LYS 15 HD1 LYS 15 8.009 6.693 -1.504 125 1HE LYS 15 HE2 LYS 15 10.096 8.283 -0.839 126 2HE LYS 15 HE1 LYS 15 10.820 6.689 -0.630 127 1HZ LYS 15 HZ1 LYS 15 11.079 7.616 -2.890 128 2HZ LYS 15 HZ2 LYS 15 9.400 7.561 -3.086 129 3HZ LYS 15 HZ3 LYS 15 10.273 6.128 -2.872 130 H ALA 16 HN ALA 16 4.227 5.565 2.296 131 HA ALA 16 HA ALA 16 2.270 7.637 2.077 132 1HB ALA 16 HB1 ALA 16 0.795 5.975 1.717 133 2HB ALA 16 HB2 ALA 16 1.392 5.010 3.068 134 3HB ALA 16 HB3 ALA 16 2.248 4.993 1.526 135 H THR 17 HN THR 17 3.334 5.503 4.712 136 HA THR 17 HA THR 17 1.545 6.481 6.653 137 HB THR 17 HB THR 17 2.724 4.362 6.927 138 HG1 THR 17 HG1 THR 17 2.337 4.820 8.929 139 1HG2 THR 17 HG21 THR 17 5.043 4.214 7.504 140 2HG2 THR 17 HG22 THR 17 5.224 5.966 7.398 141 3HG2 THR 17 HG23 THR 17 4.890 5.024 5.945 142 H GLU 18 HN GLU 18 4.914 7.351 5.932 143 HA GLU 18 HA GLU 18 5.164 9.289 7.966 144 1HB GLU 18 HB2 GLU 18 7.150 10.033 6.776 145 2HB GLU 18 HB1 GLU 18 7.092 8.276 6.815 146 1HG GLU 18 HG2 GLU 18 7.580 8.463 4.639 147 2HG GLU 18 HG1 GLU 18 5.848 8.747 4.472 148 H GLU 19 HN GLU 19 3.925 9.421 4.694 149 HA GLU 19 HA GLU 19 3.873 12.247 4.455 150 1HB GLU 19 HB2 GLU 19 2.667 9.953 2.990 151 2HB GLU 19 HB1 GLU 19 1.952 11.541 2.744 152 1HG GLU 19 HG2 GLU 19 4.874 10.929 2.374 153 2HG GLU 19 HG1 GLU 19 3.681 10.918 1.075 154 H ASP 20 HN ASP 20 1.419 9.862 5.408 155 HA ASP 20 HA ASP 20 -0.757 11.551 5.705 156 1HB ASP 20 HB2 ASP 20 -0.453 8.933 6.030 157 2HB ASP 20 HB1 ASP 20 -0.356 9.394 7.728 158 H LYS 21 HN LYS 21 1.996 11.073 7.807 159 HA LYS 21 HA LYS 21 0.872 12.447 10.052 160 1HB LYS 21 HB2 LYS 21 3.424 11.168 9.369 161 2HB LYS 21 HB1 LYS 21 3.589 12.568 10.419 162 1HG LYS 21 HG2 LYS 21 2.706 11.508 12.181 163 2HG LYS 21 HG1 LYS 21 1.468 10.711 11.210 164 1HD LYS 21 HD2 LYS 21 3.704 9.443 10.343 165 2HD LYS 21 HD1 LYS 21 4.133 9.772 12.023 166 1HE LYS 21 HE2 LYS 21 1.428 8.682 11.493 167 2HE LYS 21 HE1 LYS 21 2.795 7.589 11.282 168 1HZ LYS 21 HZ1 LYS 21 1.968 9.022 13.737 169 2HZ LYS 21 HZ2 LYS 21 3.500 8.322 13.575 170 3HZ LYS 21 HZ3 LYS 21 2.116 7.353 13.500 171 H ALA 22 HN ALA 22 2.555 13.390 7.172 172 HA ALA 22 HA ALA 22 3.070 16.071 8.220 173 1HB ALA 22 HB1 ALA 22 4.800 14.791 6.901 174 2HB ALA 22 HB2 ALA 22 4.458 16.427 6.339 175 3HB ALA 22 HB3 ALA 22 3.780 15.040 5.485 176 H LYS 23 HN LYS 23 0.342 15.026 7.619 177 HA LYS 23 HA LYS 23 -1.604 15.734 6.682 178 1HB LYS 23 HB2 LYS 23 0.062 18.234 6.625 179 2HB LYS 23 HB1 LYS 23 -1.570 18.227 5.971 180 1HG LYS 23 HG2 LYS 23 -2.166 17.190 8.301 181 2HG LYS 23 HG1 LYS 23 -0.653 17.956 8.787 182 1HD LYS 23 HD2 LYS 23 -1.467 20.070 8.489 183 2HD LYS 23 HD1 LYS 23 -2.585 19.575 7.216 184 1HE LYS 23 HE2 LYS 23 -4.067 19.979 8.909 185 2HE LYS 23 HE1 LYS 23 -3.733 18.272 9.196 186 1HZ LYS 23 HZ1 LYS 23 -2.072 18.942 10.849 187 2HZ LYS 23 HZ2 LYS 23 -3.620 19.494 11.251 188 3HZ LYS 23 HZ3 LYS 23 -2.482 20.566 10.606 189 H ASN 24 HN ASN 24 -0.428 14.152 4.971 190 HA ASN 24 HA ASN 24 -0.644 15.527 2.375 191 1HB ASN 24 HB2 ASN 24 1.343 13.497 3.325 192 2HB ASN 24 HB1 ASN 24 0.901 13.538 1.622 193 1HD2 ASN 24 HD21 ASN 24 1.286 15.476 0.438 194 2HD2 ASN 24 HD22 ASN 24 2.532 16.566 0.931 195 H TYR 25 HN TYR 25 -2.888 14.529 3.550 196 HA TYR 25 HA TYR 25 -3.584 11.891 3.152 197 1HB TYR 25 HB2 TYR 25 -5.354 14.307 2.721 198 2HB TYR 25 HB1 TYR 25 -5.908 12.661 3.015 199 HD1 TYR 25 HD1 TYR 25 -4.433 15.654 4.520 200 HD2 TYR 25 HD2 TYR 25 -5.765 11.677 5.235 201 HE1 TYR 25 HE1 TYR 25 -4.398 16.083 6.942 202 HE2 TYR 25 HE2 TYR 25 -5.734 12.095 7.658 203 HH TYR 25 HH TYR 25 -4.139 14.333 9.118 204 H GLU 26 HN GLU 26 -3.241 14.444 0.795 205 HA GLU 26 HA GLU 26 -4.587 13.101 -1.331 206 1HB GLU 26 HB2 GLU 26 -2.891 15.524 -1.053 207 2HB GLU 26 HB1 GLU 26 -2.991 14.805 -2.654 208 1HG GLU 26 HG2 GLU 26 -5.555 15.171 -1.261 209 2HG GLU 26 HG1 GLU 26 -4.706 16.649 -1.711 210 H GLU 27 HN GLU 27 -1.143 13.597 -0.570 211 HA GLU 27 HA GLU 27 -0.188 11.984 -2.696 212 1HB GLU 27 HB2 GLU 27 1.067 13.768 -1.322 213 2HB GLU 27 HB1 GLU 27 1.322 12.488 -0.143 214 1HG GLU 27 HG2 GLU 27 3.201 12.130 -1.301 215 2HG GLU 27 HG1 GLU 27 2.136 11.248 -2.395 216 H ALA 28 HN ALA 28 -0.853 11.348 0.718 217 HA ALA 28 HA ALA 28 0.210 8.768 0.874 218 1HB ALA 28 HB1 ALA 28 -0.657 8.722 2.956 219 2HB ALA 28 HB2 ALA 28 -2.246 9.271 2.423 220 3HB ALA 28 HB3 ALA 28 -0.941 10.435 2.648 221 H LEU 29 HN LEU 29 -2.859 9.924 -0.362 222 HA LEU 29 HA LEU 29 -4.223 7.471 -0.474 223 1HB LEU 29 HB2 LEU 29 -5.368 9.593 -0.748 224 2HB LEU 29 HB1 LEU 29 -4.473 9.919 -2.220 225 HG LEU 29 HG LEU 29 -5.593 7.675 -3.028 226 1HD1 LEU 29 HD11 LEU 29 -7.472 8.640 -0.878 227 2HD1 LEU 29 HD12 LEU 29 -6.635 7.089 -0.932 228 3HD1 LEU 29 HD13 LEU 29 -7.878 7.460 -2.126 229 1HD2 LEU 29 HD21 LEU 29 -7.197 10.219 -2.833 230 2HD2 LEU 29 HD22 LEU 29 -7.326 8.964 -4.066 231 3HD2 LEU 29 HD23 LEU 29 -5.875 9.961 -3.972 232 H ARG 30 HN ARG 30 -2.132 9.094 -2.830 233 HA ARG 30 HA ARG 30 -2.435 7.039 -4.804 234 1HB ARG 30 HB2 ARG 30 -0.616 9.419 -4.524 235 2HB ARG 30 HB1 ARG 30 -0.406 8.256 -5.827 236 1HG ARG 30 HG2 ARG 30 -3.008 9.668 -5.318 237 2HG ARG 30 HG1 ARG 30 -1.747 10.323 -6.365 238 1HD ARG 30 HD2 ARG 30 -2.887 7.566 -6.732 239 2HD ARG 30 HD1 ARG 30 -3.596 8.990 -7.491 240 HE ARG 30 HE ARG 30 -1.170 7.647 -8.246 241 1HH1 ARG 30 HH11 ARG 30 -2.917 10.665 -8.346 242 2HH1 ARG 30 HH12 ARG 30 -2.084 11.244 -9.750 243 1HH2 ARG 30 HH21 ARG 30 -0.073 8.407 -10.090 244 2HH2 ARG 30 HH22 ARG 30 -0.470 9.963 -10.740 245 H LEU 31 HN LEU 31 -0.146 7.762 -2.247 246 HA LEU 31 HA LEU 31 1.837 5.891 -3.067 247 1HB LEU 31 HB2 LEU 31 1.328 7.606 -0.719 248 2HB LEU 31 HB1 LEU 31 2.274 6.163 -0.403 249 HG LEU 31 HG LEU 31 3.661 8.159 -0.869 250 1HD1 LEU 31 HD11 LEU 31 5.263 6.977 -1.988 251 2HD1 LEU 31 HD12 LEU 31 4.123 6.328 -3.166 252 3HD1 LEU 31 HD13 LEU 31 4.179 5.662 -1.533 253 1HD2 LEU 31 HD21 LEU 31 1.842 8.789 -2.754 254 2HD2 LEU 31 HD22 LEU 31 3.088 8.044 -3.756 255 3HD2 LEU 31 HD23 LEU 31 3.489 9.420 -2.728 256 H TYR 32 HN TYR 32 -1.034 5.711 -1.077 257 HA TYR 32 HA TYR 32 -0.419 3.145 0.044 258 1HB TYR 32 HB2 TYR 32 -2.582 5.105 0.230 259 2HB TYR 32 HB1 TYR 32 -3.158 3.441 0.263 260 HD1 TYR 32 HD1 TYR 32 -1.225 5.993 2.030 261 HD2 TYR 32 HD2 TYR 32 -2.551 1.950 2.094 262 HE1 TYR 32 HE1 TYR 32 -0.616 5.838 4.407 263 HE2 TYR 32 HE2 TYR 32 -1.946 1.784 4.472 264 HH TYR 32 HH TYR 32 0.048 3.630 5.996 265 H GLN 33 HN GLN 33 -2.643 4.280 -2.490 266 HA GLN 33 HA GLN 33 -3.681 1.783 -3.200 267 1HB GLN 33 HB2 GLN 33 -3.384 4.389 -4.656 268 2HB GLN 33 HB1 GLN 33 -4.002 2.973 -5.495 269 1HG GLN 33 HG2 GLN 33 -5.537 2.950 -3.270 270 2HG GLN 33 HG1 GLN 33 -5.271 4.680 -3.474 271 1HE2 GLN 33 HE21 GLN 33 -6.578 5.716 -4.803 272 2HE2 GLN 33 HE22 GLN 33 -7.577 4.993 -6.013 273 H HIS 34 HN HIS 34 -0.757 3.445 -4.228 274 HA HIS 34 HA HIS 34 -0.104 1.682 -6.349 275 1HB HIS 34 HB2 HIS 34 1.267 3.838 -4.851 276 2HB HIS 34 HB1 HIS 34 2.311 2.659 -5.639 277 HD1 HIS 34 HD1 HIS 34 2.815 3.112 -8.023 278 HD2 HIS 34 HD2 HIS 34 -0.646 5.043 -6.775 279 HE1 HIS 34 HE1 HIS 34 2.091 4.521 -9.975 280 HE2 HIS 34 HE2 HIS 34 -0.053 5.612 -9.228 281 H ALA 35 HN ALA 35 0.635 1.708 -2.908 282 HA ALA 35 HA ALA 35 2.566 -0.356 -2.950 283 1HB ALA 35 HB1 ALA 35 0.911 -0.085 -0.526 284 2HB ALA 35 HB2 ALA 35 1.734 1.377 -1.069 285 3HB ALA 35 HB3 ALA 35 2.664 -0.079 -0.713 286 H VAL 36 HN VAL 36 -0.939 -0.356 -2.744 287 HA VAL 36 HA VAL 36 -1.205 -3.097 -2.020 288 HB VAL 36 HB VAL 36 -3.258 -1.395 -3.435 289 1HG1 VAL 36 HG11 VAL 36 -3.256 -4.046 -2.162 290 2HG1 VAL 36 HG12 VAL 36 -4.304 -3.388 -3.419 291 3HG1 VAL 36 HG13 VAL 36 -4.609 -3.001 -1.725 292 1HG2 VAL 36 HG21 VAL 36 -2.231 -1.301 -0.675 293 2HG2 VAL 36 HG22 VAL 36 -3.987 -1.300 -0.839 294 3HG2 VAL 36 HG23 VAL 36 -3.027 -0.054 -1.636 295 H GLU 37 HN GLU 37 -0.888 -1.386 -5.046 296 HA GLU 37 HA GLU 37 -1.781 -3.492 -6.733 297 1HB GLU 37 HB2 GLU 37 -0.303 -0.930 -7.118 298 2HB GLU 37 HB1 GLU 37 -0.255 -2.118 -8.412 299 1HG GLU 37 HG2 GLU 37 -2.846 -1.223 -7.208 300 2HG GLU 37 HG1 GLU 37 -2.058 -0.312 -8.494 301 H TYR 38 HN TYR 38 1.327 -2.603 -5.365 302 HA TYR 38 HA TYR 38 2.862 -4.411 -6.953 303 1HB TYR 38 HB2 TYR 38 3.374 -2.723 -4.540 304 2HB TYR 38 HB1 TYR 38 4.514 -4.009 -4.926 305 HD1 TYR 38 HD1 TYR 38 3.512 -0.658 -5.623 306 HD2 TYR 38 HD2 TYR 38 5.527 -4.016 -7.284 307 HE1 TYR 38 HE1 TYR 38 4.609 0.817 -7.256 308 HE2 TYR 38 HE2 TYR 38 6.631 -2.551 -8.922 309 HH TYR 38 HH TYR 38 7.249 -0.109 -9.087 310 H PHE 39 HN PHE 39 1.229 -4.600 -3.855 311 HA PHE 39 HA PHE 39 2.413 -7.041 -3.012 312 1HB PHE 39 HB2 PHE 39 0.074 -5.397 -2.162 313 2HB PHE 39 HB1 PHE 39 0.154 -7.067 -1.611 314 HD1 PHE 39 HD1 PHE 39 2.606 -7.730 -0.717 315 HD2 PHE 39 HD2 PHE 39 0.944 -3.813 -0.763 316 HE1 PHE 39 HE1 PHE 39 4.139 -7.063 1.088 317 HE2 PHE 39 HE2 PHE 39 2.475 -3.138 1.041 318 HZ PHE 39 HZ PHE 39 4.076 -4.764 1.969 319 H LEU 40 HN LEU 40 -0.615 -6.256 -4.681 320 HA LEU 40 HA LEU 40 -1.633 -8.880 -4.770 321 1HB LEU 40 HB2 LEU 40 -2.180 -6.331 -6.191 322 2HB LEU 40 HB1 LEU 40 -2.772 -7.803 -6.937 323 HG LEU 40 HG LEU 40 -3.397 -7.082 -4.081 324 1HD1 LEU 40 HD11 LEU 40 -4.343 -5.283 -5.216 325 2HD1 LEU 40 HD12 LEU 40 -5.663 -6.449 -5.113 326 3HD1 LEU 40 HD13 LEU 40 -4.764 -6.266 -6.619 327 1HD2 LEU 40 HD21 LEU 40 -5.034 -8.785 -5.915 328 2HD2 LEU 40 HD22 LEU 40 -4.963 -8.783 -4.152 329 3HD2 LEU 40 HD23 LEU 40 -3.630 -9.460 -5.088 330 H HIS 41 HN HIS 41 0.288 -7.023 -7.109 331 HA HIS 41 HA HIS 41 0.352 -8.975 -9.127 332 1HB HIS 41 HB2 HIS 41 1.023 -6.540 -9.329 333 2HB HIS 41 HB1 HIS 41 2.543 -6.977 -8.558 334 HD1 HIS 41 HD1 HIS 41 1.242 -6.418 -11.770 335 HD2 HIS 41 HD2 HIS 41 3.742 -9.316 -10.150 336 HE1 HIS 41 HE1 HIS 41 2.470 -7.414 -13.730 337 HE2 HIS 41 HE2 HIS 41 4.029 -9.117 -12.710 338 H ALA 42 HN ALA 42 2.220 -8.581 -6.205 339 HA ALA 42 HA ALA 42 4.346 -10.320 -6.882 340 1HB ALA 42 HB1 ALA 42 5.068 -10.080 -4.692 341 2HB ALA 42 HB2 ALA 42 3.430 -9.905 -4.064 342 3HB ALA 42 HB3 ALA 42 4.178 -8.591 -4.973 343 H ILE 43 HN ILE 43 1.226 -10.810 -5.298 344 HA ILE 43 HA ILE 43 1.701 -13.540 -4.629 345 HB ILE 43 HB ILE 43 -0.973 -12.170 -4.914 346 1HG1 ILE 43 HG12 ILE 43 0.292 -12.500 -2.251 347 2HG1 ILE 43 HG11 ILE 43 0.977 -11.260 -3.291 348 1HG2 ILE 43 HG21 ILE 43 -1.799 -13.860 -3.434 349 2HG2 ILE 43 HG22 ILE 43 -0.177 -14.510 -3.199 350 3HG2 ILE 43 HG23 ILE 43 -0.962 -14.650 -4.771 351 1HD1 ILE 43 HD11 ILE 43 -0.649 -9.888 -2.710 352 2HD1 ILE 43 HD12 ILE 43 -1.343 -11.140 -1.680 353 3HD1 ILE 43 HD13 ILE 43 -1.844 -11.000 -3.366 354 H LYS 44 HN LYS 44 0.017 -11.890 -7.271 355 HA LYS 44 HA LYS 44 -1.077 -14.140 -8.514 356 1HB LYS 44 HB2 LYS 44 -1.251 -11.510 -8.974 357 2HB LYS 44 HB1 LYS 44 -0.106 -11.930 -10.240 358 1HG LYS 44 HG2 LYS 44 -2.412 -13.720 -10.090 359 2HG LYS 44 HG1 LYS 44 -2.821 -12.040 -10.450 360 1HD LYS 44 HD2 LYS 44 -1.828 -12.100 -12.480 361 2HD LYS 44 HD1 LYS 44 -0.521 -13.150 -11.930 362 1HE LYS 44 HE2 LYS 44 -2.491 -14.910 -11.780 363 2HE LYS 44 HE1 LYS 44 -3.208 -13.850 -12.990 364 1HZ LYS 44 HZ1 LYS 44 -1.109 -14.100 -14.270 365 2HZ LYS 44 HZ2 LYS 44 -1.992 -15.530 -14.110 366 3HZ LYS 44 HZ3 LYS 44 -0.614 -15.280 -13.170 367 H TYR 45 HN TYR 45 2.065 -12.570 -8.973 368 HA TYR 45 HA TYR 45 2.875 -14.620 -10.870 369 1HB TYR 45 HB2 TYR 45 4.063 -12.030 -9.934 370 2HB TYR 45 HB1 TYR 45 5.071 -13.210 -10.750 371 HD1 TYR 45 HD1 TYR 45 1.681 -11.690 -11.220 372 HD2 TYR 45 HD2 TYR 45 5.360 -12.860 -13.010 373 HE1 TYR 45 HE1 TYR 45 0.888 -10.840 -13.390 374 HE2 TYR 45 HE2 TYR 45 4.579 -12.010 -15.180 375 HH TYR 45 HH TYR 45 2.951 -10.410 -16.060 376 H GLU 46 HN GLU 46 4.376 -13.200 -7.958 377 HA GLU 46 HA GLU 46 5.863 -15.660 -7.522 378 1HB GLU 46 HB2 GLU 46 5.926 -12.900 -6.382 379 2HB GLU 46 HB1 GLU 46 6.607 -14.210 -5.436 380 1HG GLU 46 HG2 GLU 46 7.450 -14.070 -8.256 381 2HG GLU 46 HG1 GLU 46 8.008 -12.770 -7.203 382 H ALA 47 HN ALA 47 4.343 -17.170 -6.896 383 HA ALA 47 HA ALA 47 2.684 -16.590 -4.561 384 1HB ALA 47 HB1 ALA 47 1.686 -17.650 -6.580 385 2HB ALA 47 HB2 ALA 47 1.461 -18.570 -5.093 386 3HB ALA 47 HB3 ALA 47 2.683 -19.070 -6.263 387 H HIS 48 HN HIS 48 3.000 -17.470 -2.595 388 HA HIS 48 HA HIS 48 5.193 -19.420 -2.315 389 1HB HIS 48 HB2 HIS 48 4.832 -16.830 -1.092 390 2HB HIS 48 HB1 HIS 48 4.907 -18.080 0.142 391 HD1 HIS 48 HD1 HIS 48 6.982 -16.220 -2.277 392 HD2 HIS 48 HD2 HIS 48 7.370 -19.530 0.199 393 HE1 HIS 48 HE1 HIS 48 9.450 -16.680 -2.160 394 HE2 HIS 48 HE2 HIS 48 9.654 -18.740 -0.723 395 H SER 49 HN SER 49 4.913 -20.050 0.335 396 HA SER 49 HA SER 49 2.831 -21.940 0.292 397 1HB SER 49 HB2 SER 49 4.266 -20.910 2.747 398 2HB SER 49 HB1 SER 49 3.473 -22.470 2.555 399 HG SER 49 HG SER 49 5.292 -23.170 1.806 400 H ASP 50 HN ASP 50 1.197 -22.090 2.148 401 HA ASP 50 HA ASP 50 -0.690 -20.060 1.880 402 1HB ASP 50 HB2 ASP 50 -0.398 -22.490 3.512 403 2HB ASP 50 HB1 ASP 50 -1.427 -21.250 4.228 404 H LYS 51 HN LYS 51 1.756 -20.600 4.358 405 HA LYS 51 HA LYS 51 0.901 -18.690 6.217 406 1HB LYS 51 HB2 LYS 51 2.934 -20.500 6.117 407 2HB LYS 51 HB1 LYS 51 3.819 -18.990 5.913 408 1HG LYS 51 HG2 LYS 51 2.631 -18.150 7.973 409 2HG LYS 51 HG1 LYS 51 2.065 -19.810 8.212 410 1HD LYS 51 HD2 LYS 51 4.723 -20.210 7.817 411 2HD LYS 51 HD1 LYS 51 4.730 -18.640 8.624 412 1HE LYS 51 HE2 LYS 51 4.665 -19.860 10.509 413 2HE LYS 51 HE1 LYS 51 2.946 -20.010 10.145 414 1HZ LYS 51 HZ1 LYS 51 3.772 -22.170 10.572 415 2HZ LYS 51 HZ2 LYS 51 5.097 -21.960 9.541 416 3HZ LYS 51 HZ3 LYS 51 3.536 -22.080 8.900 417 H ALA 52 HN ALA 52 3.250 -18.390 3.562 418 HA ALA 52 HA ALA 52 3.665 -15.600 3.993 419 1HB ALA 52 HB1 ALA 52 4.593 -17.620 2.060 420 2HB ALA 52 HB2 ALA 52 5.499 -16.400 2.947 421 3HB ALA 52 HB3 ALA 52 4.595 -15.950 1.502 422 H LYS 53 HN LYS 53 1.598 -17.520 1.898 423 HA LYS 53 HA LYS 53 0.754 -15.400 0.214 424 1HB LYS 53 HB2 LYS 53 0.499 -18.020 0.010 425 2HB LYS 53 HB1 LYS 53 -1.041 -17.720 0.800 426 1HG LYS 53 HG2 LYS 53 -1.456 -16.000 -1.030 427 2HG LYS 53 HG1 LYS 53 -0.083 -16.730 -1.864 428 1HD LYS 53 HD2 LYS 53 -1.194 -18.880 -1.879 429 2HD LYS 53 HD1 LYS 53 -2.536 -18.220 -0.937 430 1HE LYS 53 HE2 LYS 53 -3.496 -17.940 -2.951 431 2HE LYS 53 HE1 LYS 53 -2.484 -16.500 -3.022 432 1HZ LYS 53 HZ1 LYS 53 -2.322 -17.860 -5.031 433 2HZ LYS 53 HZ2 LYS 53 -1.732 -19.160 -4.114 434 3HZ LYS 53 HZ3 LYS 53 -0.831 -17.730 -4.243 435 H GLU 54 HN GLU 54 -0.478 -16.710 3.248 436 HA GLU 54 HA GLU 54 -2.874 -15.190 3.277 437 1HB GLU 54 HB2 GLU 54 -1.400 -16.910 5.176 438 2HB GLU 54 HB1 GLU 54 -2.462 -15.710 5.896 439 1HG GLU 54 HG2 GLU 54 -4.051 -16.780 3.954 440 2HG GLU 54 HG1 GLU 54 -3.102 -18.170 4.470 441 H SER 55 HN SER 55 0.362 -14.680 4.595 442 HA SER 55 HA SER 55 -0.169 -12.430 6.158 443 1HB SER 55 HB2 SER 55 2.257 -13.600 4.885 444 2HB SER 55 HB1 SER 55 2.359 -11.930 5.451 445 HG SER 55 HG SER 55 2.885 -13.740 6.977 446 H ILE 56 HN ILE 56 0.840 -12.670 2.760 447 HA ILE 56 HA ILE 56 0.867 -9.862 2.320 448 HB ILE 56 HB ILE 56 0.584 -12.020 0.235 449 1HG1 ILE 56 HG12 ILE 56 3.217 -10.800 0.928 450 2HG1 ILE 56 HG11 ILE 56 2.583 -12.050 1.988 451 1HG2 ILE 56 HG21 ILE 56 1.506 -9.162 0.133 452 2HG2 ILE 56 HG22 ILE 56 0.140 -9.893 -0.708 453 3HG2 ILE 56 HG23 ILE 56 1.788 -10.320 -1.167 454 1HD1 ILE 56 HD11 ILE 56 3.677 -12.240 -0.726 455 2HD1 ILE 56 HD12 ILE 56 2.246 -13.220 -0.416 456 3HD1 ILE 56 HD13 ILE 56 3.681 -13.410 0.591 457 H ARG 57 HN ARG 57 -1.548 -12.380 1.938 458 HA ARG 57 HA ARG 57 -3.407 -10.900 0.423 459 1HB ARG 57 HB2 ARG 57 -3.348 -13.420 0.871 460 2HB ARG 57 HB1 ARG 57 -4.156 -13.050 2.387 461 1HG ARG 57 HG2 ARG 57 -6.019 -13.370 1.185 462 2HG ARG 57 HG1 ARG 57 -5.732 -11.710 0.651 463 1HD ARG 57 HD2 ARG 57 -4.282 -12.830 -1.189 464 2HD ARG 57 HD1 ARG 57 -5.186 -14.280 -0.777 465 HE ARG 57 HE ARG 57 -6.849 -12.000 -1.289 466 1HH1 ARG 57 HH11 ARG 57 -5.167 -14.690 -2.733 467 2HH1 ARG 57 HH12 ARG 57 -6.190 -14.740 -4.131 468 1HH2 ARG 57 HH21 ARG 57 -8.194 -12.060 -3.125 469 2HH2 ARG 57 HH22 ARG 57 -7.907 -13.250 -4.354 470 H ALA 58 HN ALA 58 -2.960 -11.300 3.906 471 HA ALA 58 HA ALA 58 -5.271 -9.738 4.579 472 1HB ALA 58 HB1 ALA 58 -4.507 -9.968 6.881 473 2HB ALA 58 HB2 ALA 58 -2.975 -10.630 6.317 474 3HB ALA 58 HB3 ALA 58 -4.476 -11.520 6.050 475 H LYS 59 HN LYS 59 -1.890 -9.124 4.029 476 HA LYS 59 HA LYS 59 -1.696 -6.645 5.369 477 1HB LYS 59 HB2 LYS 59 -0.100 -8.110 3.339 478 2HB LYS 59 HB1 LYS 59 0.171 -6.377 3.462 479 1HG LYS 59 HG2 LYS 59 0.831 -6.555 5.733 480 2HG LYS 59 HG1 LYS 59 0.292 -8.232 5.825 481 1HD LYS 59 HD2 LYS 59 2.129 -9.025 4.734 482 2HD LYS 59 HD1 LYS 59 2.319 -7.562 3.765 483 1HE LYS 59 HE2 LYS 59 3.315 -6.391 5.575 484 2HE LYS 59 HE1 LYS 59 2.877 -7.657 6.721 485 1HZ LYS 59 HZ1 LYS 59 4.998 -8.275 6.363 486 2HZ LYS 59 HZ2 LYS 59 5.092 -7.541 4.842 487 3HZ LYS 59 HZ3 LYS 59 4.346 -9.050 5.007 488 H CYS 60 HN CYS 60 -2.249 -7.411 1.934 489 HA CYS 60 HA CYS 60 -2.506 -4.772 1.039 490 1HB CYS 60 HB2 CYS 60 -3.576 -5.713 -0.938 491 2HB CYS 60 HB1 CYS 60 -2.203 -6.707 -0.461 492 HG CYS 60 HG CYS 60 -3.930 -8.448 0.504 493 H VAL 61 HN VAL 61 -4.836 -6.957 2.495 494 HA VAL 61 HA VAL 61 -7.158 -5.454 1.895 495 HB VAL 61 HB VAL 61 -6.748 -7.297 4.252 496 1HG1 VAL 61 HG11 VAL 61 -8.756 -5.982 4.457 497 2HG1 VAL 61 HG12 VAL 61 -9.193 -7.637 4.035 498 3HG1 VAL 61 HG13 VAL 61 -9.227 -6.375 2.804 499 1HG2 VAL 61 HG21 VAL 61 -6.378 -8.019 1.661 500 2HG2 VAL 61 HG22 VAL 61 -8.104 -8.322 1.858 501 3HG2 VAL 61 HG23 VAL 61 -6.942 -9.105 2.931 502 H GLN 62 HN GLN 62 -4.848 -5.357 4.548 503 HA GLN 62 HA GLN 62 -6.375 -3.575 6.172 504 1HB GLN 62 HB2 GLN 62 -4.501 -5.153 6.914 505 2HB GLN 62 HB1 GLN 62 -3.388 -3.936 6.303 506 1HG GLN 62 HG2 GLN 62 -3.574 -2.760 8.165 507 2HG GLN 62 HG1 GLN 62 -5.328 -2.692 7.996 508 1HE2 GLN 62 HE21 GLN 62 -6.404 -3.498 9.635 509 2HE2 GLN 62 HE22 GLN 62 -5.866 -4.750 10.699 510 H TYR 63 HN TYR 63 -3.871 -3.183 3.732 511 HA TYR 63 HA TYR 63 -3.428 -0.413 4.198 512 1HB TYR 63 HB2 TYR 63 -2.864 -2.157 1.794 513 2HB TYR 63 HB1 TYR 63 -2.347 -0.480 1.932 514 HD1 TYR 63 HD1 TYR 63 -1.212 -3.701 2.193 515 HD2 TYR 63 HD2 TYR 63 -1.157 -0.051 4.376 516 HE1 TYR 63 HE1 TYR 63 0.827 -4.435 3.356 517 HE2 TYR 63 HE2 TYR 63 0.884 -0.773 5.544 518 HH TYR 63 HH TYR 63 2.026 -3.973 5.439 519 H LEU 64 HN LEU 64 -5.609 -2.228 2.123 520 HA LEU 64 HA LEU 64 -6.492 -0.059 0.545 521 1HB LEU 64 HB2 LEU 64 -7.435 -2.813 1.116 522 2HB LEU 64 HB1 LEU 64 -8.615 -1.692 0.461 523 HG LEU 64 HG LEU 64 -6.018 -1.818 -0.954 524 1HD1 LEU 64 HD11 LEU 64 -8.009 -4.078 -1.011 525 2HD1 LEU 64 HD12 LEU 64 -6.318 -4.162 -0.521 526 3HD1 LEU 64 HD13 LEU 64 -6.733 -3.834 -2.204 527 1HD2 LEU 64 HD21 LEU 64 -7.688 -0.377 -1.830 528 2HD2 LEU 64 HD22 LEU 64 -8.920 -1.636 -1.731 529 3HD2 LEU 64 HD23 LEU 64 -7.609 -1.775 -2.902 530 H ASP 65 HN ASP 65 -7.362 -1.186 3.723 531 HA ASP 65 HA ASP 65 -9.834 0.227 3.900 532 1HB ASP 65 HB2 ASP 65 -8.365 -1.606 5.509 533 2HB ASP 65 HB1 ASP 65 -8.712 -0.190 6.494 534 H ARG 66 HN ARG 66 -6.493 1.011 4.542 535 HA ARG 66 HA ARG 66 -7.089 3.416 6.005 536 1HB ARG 66 HB2 ARG 66 -4.562 2.227 4.881 537 2HB ARG 66 HB1 ARG 66 -4.585 3.832 5.598 538 1HG ARG 66 HG2 ARG 66 -5.758 1.628 7.187 539 2HG ARG 66 HG1 ARG 66 -4.005 1.646 6.989 540 1HD ARG 66 HD2 ARG 66 -4.293 2.895 8.911 541 2HD ARG 66 HD1 ARG 66 -4.208 4.140 7.666 542 HE ARG 66 HE ARG 66 -6.387 4.684 8.108 543 1HH1 ARG 66 HH11 ARG 66 -5.683 1.583 9.545 544 2HH1 ARG 66 HH12 ARG 66 -7.185 1.499 10.404 545 1HH2 ARG 66 HH21 ARG 66 -8.363 4.576 9.236 546 2HH2 ARG 66 HH22 ARG 66 -8.707 3.199 10.228 547 H ALA 67 HN ALA 67 -6.361 2.559 2.685 548 HA ALA 67 HA ALA 67 -5.878 5.192 1.745 549 1HB ALA 67 HB1 ALA 67 -6.976 3.078 -0.048 550 2HB ALA 67 HB2 ALA 67 -5.376 2.864 0.662 551 3HB ALA 67 HB3 ALA 67 -5.710 4.268 -0.351 552 H GLU 68 HN GLU 68 -8.772 3.334 2.307 553 HA GLU 68 HA GLU 68 -10.520 4.890 0.704 554 1HB GLU 68 HB2 GLU 68 -10.830 2.852 2.853 555 2HB GLU 68 HB1 GLU 68 -12.220 3.868 2.478 556 1HG GLU 68 HG2 GLU 68 -10.740 2.391 0.335 557 2HG GLU 68 HG1 GLU 68 -12.010 1.619 1.284 558 H LYS 69 HN LYS 69 -9.889 4.870 4.210 559 HA LYS 69 HA LYS 69 -11.600 6.968 4.892 560 1HB LYS 69 HB2 LYS 69 -10.070 5.289 6.318 561 2HB LYS 69 HB1 LYS 69 -9.045 6.708 6.384 562 1HG LYS 69 HG2 LYS 69 -11.420 7.812 7.020 563 2HG LYS 69 HG1 LYS 69 -11.630 6.187 7.677 564 1HD LYS 69 HD2 LYS 69 -10.580 7.039 9.480 565 2HD LYS 69 HD1 LYS 69 -9.123 6.772 8.529 566 1HE LYS 69 HE2 LYS 69 -9.259 9.075 7.696 567 2HE LYS 69 HE1 LYS 69 -10.700 9.337 8.668 568 1HZ LYS 69 HZ1 LYS 69 -8.977 10.204 9.938 569 2HZ LYS 69 HZ2 LYS 69 -7.926 8.928 9.584 570 3HZ LYS 69 HZ3 LYS 69 -9.237 8.680 10.623 571 H LEU 70 HN LEU 70 -8.278 7.002 3.731 572 HA LEU 70 HA LEU 70 -7.675 9.686 4.241 573 1HB LEU 70 HB2 LEU 70 -6.707 7.789 2.112 574 2HB LEU 70 HB1 LEU 70 -6.063 9.409 2.299 575 HG LEU 70 HG LEU 70 -6.055 7.540 4.637 576 1HD1 LEU 70 HD11 LEU 70 -4.441 7.318 2.171 577 2HD1 LEU 70 HD12 LEU 70 -4.908 6.084 3.341 578 3HD1 LEU 70 HD13 LEU 70 -3.578 7.183 3.703 579 1HD2 LEU 70 HD21 LEU 70 -3.890 8.858 4.999 580 2HD2 LEU 70 HD22 LEU 70 -5.416 9.711 5.225 581 3HD2 LEU 70 HD23 LEU 70 -4.490 9.939 3.742 582 H LYS 71 HN LYS 71 -9.138 8.160 1.390 583 HA LYS 71 HA LYS 71 -9.340 10.536 -0.133 584 1HB LYS 71 HB2 LYS 71 -9.689 7.905 -0.678 585 2HB LYS 71 HB1 LYS 71 -11.360 8.434 -0.594 586 1HG LYS 71 HG2 LYS 71 -10.290 10.376 -2.147 587 2HG LYS 71 HG1 LYS 71 -9.305 8.986 -2.607 588 1HD LYS 71 HD2 LYS 71 -11.840 7.942 -2.569 589 2HD LYS 71 HD1 LYS 71 -12.100 9.575 -3.184 590 1HE LYS 71 HE2 LYS 71 -11.000 9.164 -5.117 591 2HE LYS 71 HE1 LYS 71 -9.828 8.108 -4.344 592 1HZ LYS 71 HZ1 LYS 71 -12.630 7.324 -4.884 593 2HZ LYS 71 HZ2 LYS 71 -11.380 6.323 -4.354 594 3HZ LYS 71 HZ3 LYS 71 -11.340 6.968 -5.917 595 H ASP 72 HN ASP 72 -11.670 8.814 1.916 596 HA ASP 72 HA ASP 72 -13.850 10.520 1.476 597 1HB ASP 72 HB2 ASP 72 -13.110 8.503 3.527 598 2HB ASP 72 HB1 ASP 72 -14.380 9.645 3.958 599 H TYR 73 HN TYR 73 -11.070 10.819 3.550 600 HA TYR 73 HA TYR 73 -12.130 12.878 5.216 601 1HB TYR 73 HB2 TYR 73 -10.260 11.461 5.945 602 2HB TYR 73 HB1 TYR 73 -9.257 12.117 4.658 603 HD1 TYR 73 HD1 TYR 73 -10.970 12.935 7.826 604 HD2 TYR 73 HD2 TYR 73 -8.155 14.210 4.907 605 HE1 TYR 73 HE1 TYR 73 -10.240 14.742 9.327 606 HE2 TYR 73 HE2 TYR 73 -7.419 16.020 6.400 607 HH TYR 73 HH TYR 73 -8.346 17.329 8.303 608 H LEU 74 HN LEU 74 -9.876 12.890 2.460 609 HA LEU 74 HA LEU 74 -9.687 15.734 2.375 610 1HB LEU 74 HB2 LEU 74 -8.534 15.383 0.236 611 2HB LEU 74 HB1 LEU 74 -7.890 14.369 1.512 612 HG LEU 74 HG LEU 74 -9.514 12.569 0.521 613 1HD1 LEU 74 HD11 LEU 74 -10.710 13.404 -1.180 614 2HD1 LEU 74 HD12 LEU 74 -9.250 13.125 -2.119 615 3HD1 LEU 74 HD13 LEU 74 -9.586 14.728 -1.465 616 1HD2 LEU 74 HD21 LEU 74 -6.885 12.879 0.463 617 2HD2 LEU 74 HD22 LEU 74 -7.200 13.105 -1.258 618 3HD2 LEU 74 HD23 LEU 74 -7.694 11.613 -0.460 619 H ARG 75 HN ARG 75 -11.800 13.373 0.933 620 HA ARG 75 HA ARG 75 -12.860 15.096 -1.084 621 1HB ARG 75 HB2 ARG 75 -13.540 12.414 0.016 622 2HB ARG 75 HB1 ARG 75 -14.800 13.279 -0.855 623 1HG ARG 75 HG2 ARG 75 -12.590 13.532 -2.495 624 2HG ARG 75 HG1 ARG 75 -12.450 11.894 -1.856 625 1HD ARG 75 HD2 ARG 75 -15.000 11.764 -2.451 626 2HD ARG 75 HD1 ARG 75 -14.610 13.102 -3.532 627 HE ARG 75 HE ARG 75 -12.720 11.255 -4.115 628 1HH1 ARG 75 HH11 ARG 75 -16.200 11.140 -3.940 629 2HH1 ARG 75 HH12 ARG 75 -16.340 9.914 -5.154 630 1HH2 ARG 75 HH21 ARG 75 -12.900 9.643 -5.713 631 2HH2 ARG 75 HH22 ARG 75 -14.470 9.063 -6.160 632 H SER 76 HN SER 76 -13.760 14.282 2.219 633 HA SER 76 HA SER 76 -16.290 15.537 2.210 634 1HB SER 76 HB2 SER 76 -14.430 14.491 4.269 635 2HB SER 76 HB1 SER 76 -15.620 15.674 4.812 636 HG SER 76 HG SER 76 -16.330 13.413 3.269 637 H LYS 77 HN LYS 77 -13.210 16.644 3.640 638 HA LYS 77 HA LYS 77 -14.110 19.244 4.225 639 1HB LYS 77 HB2 LYS 77 -11.710 19.797 4.455 640 2HB LYS 77 HB1 LYS 77 -12.150 18.323 5.307 641 1HG LYS 77 HG2 LYS 77 -10.690 17.122 4.150 642 2HG LYS 77 HG1 LYS 77 -11.290 17.747 2.614 643 1HD LYS 77 HD2 LYS 77 -9.960 19.882 3.254 644 2HD LYS 77 HD1 LYS 77 -9.109 18.808 4.367 645 1HE LYS 77 HE2 LYS 77 -8.090 17.656 2.692 646 2HE LYS 77 HE1 LYS 77 -9.435 17.876 1.575 647 1HZ LYS 77 HZ1 LYS 77 -8.593 19.798 0.801 648 2HZ LYS 77 HZ2 LYS 77 -7.127 19.161 1.350 649 3HZ LYS 77 HZ3 LYS 77 -7.969 20.279 2.300 Start of MODEL 12 1 1H MET 1 HT1 MET 1 23.130 -5.984 -5.077 2 2H MET 1 HT2 MET 1 22.971 -7.526 -4.341 3 3H MET 1 HT3 MET 1 23.612 -6.210 -3.448 4 HA MET 1 HA MET 1 21.269 -6.847 -2.982 5 1HB MET 1 HB2 MET 1 22.388 -4.165 -3.620 6 2HB MET 1 HB1 MET 1 20.663 -4.258 -3.291 7 1HG MET 1 HG2 MET 1 20.964 -4.679 -1.102 8 2HG MET 1 HG1 MET 1 22.410 -5.649 -1.374 9 1HE MET 1 HE1 MET 1 23.193 -4.517 0.923 10 2HE MET 1 HE2 MET 1 24.466 -3.321 0.690 11 3HE MET 1 HE3 MET 1 24.517 -4.846 -0.194 12 H THR 2 HN THR 2 19.485 -7.553 -3.937 13 HA THR 2 HA THR 2 18.784 -6.473 -6.590 14 HB THR 2 HB THR 2 19.487 -8.808 -6.749 15 HG1 THR 2 HG1 THR 2 17.878 -8.320 -8.163 16 1HG2 THR 2 HG21 THR 2 18.714 -9.351 -4.352 17 2HG2 THR 2 HG22 THR 2 18.569 -10.580 -5.604 18 3HG2 THR 2 HG23 THR 2 17.150 -9.663 -5.103 19 H THR 3 HN THR 3 17.073 -5.192 -6.447 20 HA THR 3 HA THR 3 15.270 -5.238 -4.244 21 HB THR 3 HB THR 3 13.982 -3.572 -5.655 22 HG1 THR 3 HG1 THR 3 14.449 -3.642 -7.690 23 1HG2 THR 3 HG21 THR 3 15.503 -1.789 -5.382 24 2HG2 THR 3 HG22 THR 3 16.893 -2.872 -5.442 25 3HG2 THR 3 HG23 THR 3 15.802 -2.914 -4.058 26 H SER 4 HN SER 4 13.407 -6.297 -3.985 27 HA SER 4 HA SER 4 12.407 -7.879 -6.253 28 1HB SER 4 HB2 SER 4 12.879 -8.507 -3.490 29 2HB SER 4 HB1 SER 4 11.167 -8.727 -3.851 30 HG SER 4 HG SER 4 11.924 -9.967 -5.723 31 H THR 5 HN THR 5 9.916 -8.427 -5.766 32 HA THR 5 HA THR 5 8.553 -5.936 -6.131 33 HB THR 5 HB THR 5 7.349 -8.687 -5.792 34 HG1 THR 5 HG1 THR 5 7.489 -8.807 -8.049 35 1HG2 THR 5 HG21 THR 5 5.728 -6.845 -5.706 36 2HG2 THR 5 HG22 THR 5 5.523 -7.869 -7.127 37 3HG2 THR 5 HG23 THR 5 6.301 -6.293 -7.279 38 H LEU 6 HN LEU 6 8.942 -8.222 -3.514 39 HA LEU 6 HA LEU 6 6.847 -7.177 -1.883 40 1HB LEU 6 HB2 LEU 6 9.033 -9.142 -1.585 41 2HB LEU 6 HB1 LEU 6 8.486 -8.383 -0.103 42 HG LEU 6 HG LEU 6 7.361 -10.530 -0.539 43 1HD1 LEU 6 HD11 LEU 6 6.281 -8.586 0.675 44 2HD1 LEU 6 HD12 LEU 6 5.192 -9.819 0.039 45 3HD1 LEU 6 HD13 LEU 6 5.382 -8.286 -0.811 46 1HD2 LEU 6 HD21 LEU 6 5.989 -9.186 -2.849 47 2HD2 LEU 6 HD22 LEU 6 5.940 -10.880 -2.378 48 3HD2 LEU 6 HD23 LEU 6 7.415 -10.200 -3.059 49 H GLN 7 HN GLN 7 10.257 -6.486 -2.284 50 HA GLN 7 HA GLN 7 10.509 -4.863 0.048 51 1HB GLN 7 HB2 GLN 7 12.373 -6.018 -1.294 52 2HB GLN 7 HB1 GLN 7 12.250 -4.655 -2.399 53 1HG GLN 7 HG2 GLN 7 13.769 -3.683 -1.099 54 2HG GLN 7 HG1 GLN 7 12.442 -3.417 0.031 55 1HE2 GLN 7 HE21 GLN 7 12.453 -4.437 1.951 56 2HE2 GLN 7 HE22 GLN 7 13.677 -5.542 2.466 57 H LYS 8 HN LYS 8 9.554 -4.295 -3.262 58 HA LYS 8 HA LYS 8 9.772 -1.452 -3.167 59 1HB LYS 8 HB2 LYS 8 8.623 -3.454 -5.045 60 2HB LYS 8 HB1 LYS 8 8.038 -1.801 -5.167 61 1HG LYS 8 HG2 LYS 8 10.644 -1.288 -5.134 62 2HG LYS 8 HG1 LYS 8 10.702 -2.924 -5.792 63 1HD LYS 8 HD2 LYS 8 8.704 -1.850 -7.272 64 2HD LYS 8 HD1 LYS 8 9.716 -0.429 -7.000 65 1HE LYS 8 HE2 LYS 8 11.611 -2.211 -7.653 66 2HE LYS 8 HE1 LYS 8 10.256 -2.884 -8.559 67 1HZ LYS 8 HZ1 LYS 8 11.641 -1.240 -9.794 68 2HZ LYS 8 HZ2 LYS 8 11.084 -0.042 -8.740 69 3HZ LYS 8 HZ3 LYS 8 9.994 -0.861 -9.739 70 H ALA 9 HN ALA 9 7.179 -3.767 -2.580 71 HA ALA 9 HA ALA 9 5.053 -1.940 -2.401 72 1HB ALA 9 HB1 ALA 9 3.812 -3.693 -1.369 73 2HB ALA 9 HB2 ALA 9 5.286 -4.527 -0.875 74 3HB ALA 9 HB3 ALA 9 4.858 -4.430 -2.583 75 H ILE 10 HN ILE 10 7.446 -2.998 -0.055 76 HA ILE 10 HA ILE 10 6.179 -1.823 2.212 77 HB ILE 10 HB ILE 10 9.108 -2.475 1.893 78 1HG1 ILE 10 HG12 ILE 10 7.110 -4.309 3.173 79 2HG1 ILE 10 HG11 ILE 10 7.319 -4.330 1.425 80 1HG2 ILE 10 HG21 ILE 10 8.790 -1.160 3.829 81 2HG2 ILE 10 HG22 ILE 10 8.900 -2.829 4.388 82 3HG2 ILE 10 HG23 ILE 10 7.327 -2.038 4.277 83 1HD1 ILE 10 HD11 ILE 10 8.781 -5.749 3.290 84 2HD1 ILE 10 HD12 ILE 10 9.855 -4.438 2.802 85 3HD1 ILE 10 HD13 ILE 10 9.179 -5.523 1.587 86 H ASP 11 HN ASP 11 8.402 -0.681 -0.227 87 HA ASP 11 HA ASP 11 9.288 1.640 1.141 88 1HB ASP 11 HB2 ASP 11 9.491 0.536 -1.579 89 2HB ASP 11 HB1 ASP 11 9.511 2.295 -1.509 90 H LEU 12 HN LEU 12 6.496 0.912 -0.833 91 HA LEU 12 HA LEU 12 5.692 3.622 -1.228 92 1HB LEU 12 HB2 LEU 12 4.484 0.941 -1.686 93 2HB LEU 12 HB1 LEU 12 3.409 2.324 -1.633 94 HG LEU 12 HG LEU 12 4.031 1.795 -3.927 95 1HD1 LEU 12 HD11 LEU 12 4.667 3.980 -4.637 96 2HD1 LEU 12 HD12 LEU 12 5.406 4.334 -3.074 97 3HD1 LEU 12 HD13 LEU 12 3.656 4.156 -3.202 98 1HD2 LEU 12 HD21 LEU 12 6.397 2.170 -4.641 99 2HD2 LEU 12 HD22 LEU 12 6.154 0.745 -3.631 100 3HD2 LEU 12 HD23 LEU 12 6.845 2.211 -2.936 101 H VAL 13 HN VAL 13 5.083 1.180 1.203 102 HA VAL 13 HA VAL 13 2.928 2.584 2.466 103 HB VAL 13 HB VAL 13 4.665 0.426 3.667 104 1HG1 VAL 13 HG11 VAL 13 1.807 1.150 4.284 105 2HG1 VAL 13 HG12 VAL 13 3.192 1.755 5.194 106 3HG1 VAL 13 HG13 VAL 13 2.847 0.025 5.157 107 1HG2 VAL 13 HG21 VAL 13 3.291 -1.215 2.737 108 2HG2 VAL 13 HG22 VAL 13 3.549 -0.085 1.408 109 3HG2 VAL 13 HG23 VAL 13 2.034 -0.053 2.310 110 H THR 14 HN THR 14 6.404 2.533 2.781 111 HA THR 14 HA THR 14 6.535 3.790 5.329 112 HB THR 14 HB THR 14 8.639 3.818 3.160 113 HG1 THR 14 HG1 THR 14 8.696 1.753 3.440 114 1HG2 THR 14 HG21 THR 14 9.533 5.160 4.776 115 2HG2 THR 14 HG22 THR 14 10.078 3.574 5.325 116 3HG2 THR 14 HG23 THR 14 8.682 4.339 6.085 117 H LYS 15 HN LYS 15 6.646 4.976 1.999 118 HA LYS 15 HA LYS 15 7.113 7.695 2.731 119 1HB LYS 15 HB2 LYS 15 6.789 6.164 0.283 120 2HB LYS 15 HB1 LYS 15 5.953 7.709 0.193 121 1HG LYS 15 HG2 LYS 15 7.929 8.925 0.513 122 2HG LYS 15 HG1 LYS 15 8.808 7.508 1.091 123 1HD LYS 15 HD2 LYS 15 8.118 6.637 -1.350 124 2HD LYS 15 HD1 LYS 15 8.191 8.371 -1.670 125 1HE LYS 15 HE2 LYS 15 10.468 8.391 -0.657 126 2HE LYS 15 HE1 LYS 15 10.381 6.634 -0.540 127 1HZ LYS 15 HZ1 LYS 15 11.363 6.759 -2.545 128 2HZ LYS 15 HZ2 LYS 15 10.795 8.319 -2.869 129 3HZ LYS 15 HZ3 LYS 15 9.782 6.986 -3.105 130 H ALA 16 HN ALA 16 4.282 5.714 2.270 131 HA ALA 16 HA ALA 16 2.413 7.857 2.060 132 1HB ALA 16 HB1 ALA 16 0.827 6.250 1.832 133 2HB ALA 16 HB2 ALA 16 1.513 5.235 3.101 134 3HB ALA 16 HB3 ALA 16 2.244 5.255 1.497 135 H THR 17 HN THR 17 3.353 5.692 4.726 136 HA THR 17 HA THR 17 1.650 6.750 6.670 137 HB THR 17 HB THR 17 2.817 4.645 7.000 138 HG1 THR 17 HG1 THR 17 2.266 5.657 8.899 139 1HG2 THR 17 HG21 THR 17 5.160 4.500 7.514 140 2HG2 THR 17 HG22 THR 17 5.351 6.239 7.288 141 3HG2 THR 17 HG23 THR 17 4.947 5.209 5.913 142 H GLU 18 HN GLU 18 5.000 7.616 5.865 143 HA GLU 18 HA GLU 18 5.287 9.596 7.853 144 1HB GLU 18 HB2 GLU 18 7.241 10.324 6.601 145 2HB GLU 18 HB1 GLU 18 7.192 8.568 6.676 146 1HG GLU 18 HG2 GLU 18 6.358 8.461 4.410 147 2HG GLU 18 HG1 GLU 18 6.292 10.220 4.327 148 H GLU 19 HN GLU 19 4.104 9.701 4.538 149 HA GLU 19 HA GLU 19 3.992 12.503 4.271 150 1HB GLU 19 HB2 GLU 19 3.003 10.169 2.814 151 2HB GLU 19 HB1 GLU 19 1.925 11.553 2.699 152 1HG GLU 19 HG2 GLU 19 3.316 12.679 1.365 153 2HG GLU 19 HG1 GLU 19 4.740 12.215 2.294 154 H ASP 20 HN ASP 20 1.566 10.141 5.336 155 HA ASP 20 HA ASP 20 -0.609 11.830 5.637 156 1HB ASP 20 HB2 ASP 20 -0.093 9.183 6.178 157 2HB ASP 20 HB1 ASP 20 -0.361 9.849 7.786 158 H LYS 21 HN LYS 21 2.178 11.385 7.709 159 HA LYS 21 HA LYS 21 1.103 12.839 9.928 160 1HB LYS 21 HB2 LYS 21 3.695 11.598 9.220 161 2HB LYS 21 HB1 LYS 21 3.768 12.941 10.353 162 1HG LYS 21 HG2 LYS 21 3.263 11.527 11.977 163 2HG LYS 21 HG1 LYS 21 1.671 11.316 11.245 164 1HD LYS 21 HD2 LYS 21 2.632 9.522 9.815 165 2HD LYS 21 HD1 LYS 21 4.151 9.685 10.698 166 1HE LYS 21 HE2 LYS 21 1.742 9.325 12.355 167 2HE LYS 21 HE1 LYS 21 2.190 7.943 11.355 168 1HZ LYS 21 HZ1 LYS 21 4.513 8.312 12.325 169 2HZ LYS 21 HZ2 LYS 21 3.343 7.608 13.322 170 3HZ LYS 21 HZ3 LYS 21 3.738 9.242 13.506 171 H ALA 22 HN ALA 22 2.763 13.673 7.001 172 HA ALA 22 HA ALA 22 3.322 16.378 7.963 173 1HB ALA 22 HB1 ALA 22 4.056 15.050 5.357 174 2HB ALA 22 HB2 ALA 22 5.107 15.242 6.759 175 3HB ALA 22 HB3 ALA 22 4.556 16.662 5.869 176 H LYS 23 HN LYS 23 0.578 15.379 7.448 177 HA LYS 23 HA LYS 23 -1.372 16.094 6.520 178 1HB LYS 23 HB2 LYS 23 -0.035 18.319 7.273 179 2HB LYS 23 HB1 LYS 23 -0.216 18.643 5.554 180 1HG LYS 23 HG2 LYS 23 -2.496 18.809 5.681 181 2HG LYS 23 HG1 LYS 23 -2.601 17.772 7.106 182 1HD LYS 23 HD2 LYS 23 -2.091 19.482 8.555 183 2HD LYS 23 HD1 LYS 23 -1.198 20.392 7.334 184 1HE LYS 23 HE2 LYS 23 -3.031 21.486 6.641 185 2HE LYS 23 HE1 LYS 23 -4.040 20.043 6.726 186 1HZ LYS 23 HZ1 LYS 23 -3.318 21.873 8.943 187 2HZ LYS 23 HZ2 LYS 23 -4.047 20.367 9.191 188 3HZ LYS 23 HZ3 LYS 23 -4.859 21.565 8.317 189 H ASN 24 HN ASN 24 -0.095 14.419 4.874 190 HA ASN 24 HA ASN 24 -0.427 15.637 2.211 191 1HB ASN 24 HB2 ASN 24 1.506 13.497 3.110 192 2HB ASN 24 HB1 ASN 24 1.170 13.839 1.415 193 1HD2 ASN 24 HD21 ASN 24 1.784 15.852 0.552 194 2HD2 ASN 24 HD22 ASN 24 3.012 16.809 1.301 195 H TYR 25 HN TYR 25 -2.631 14.679 3.491 196 HA TYR 25 HA TYR 25 -3.288 12.005 3.227 197 1HB TYR 25 HB2 TYR 25 -5.050 14.439 2.884 198 2HB TYR 25 HB1 TYR 25 -5.654 12.794 3.045 199 HD1 TYR 25 HD1 TYR 25 -3.891 15.523 4.794 200 HD2 TYR 25 HD2 TYR 25 -5.768 11.725 5.175 201 HE1 TYR 25 HE1 TYR 25 -3.859 15.760 7.241 202 HE2 TYR 25 HE2 TYR 25 -5.742 11.951 7.624 203 HH TYR 25 HH TYR 25 -5.683 14.024 9.281 204 H GLU 26 HN GLU 26 -3.129 14.501 0.781 205 HA GLU 26 HA GLU 26 -4.527 13.091 -1.247 206 1HB GLU 26 HB2 GLU 26 -2.768 15.490 -1.132 207 2HB GLU 26 HB1 GLU 26 -3.000 14.728 -2.700 208 1HG GLU 26 HG2 GLU 26 -5.527 15.010 -1.389 209 2HG GLU 26 HG1 GLU 26 -4.682 16.556 -1.392 210 H GLU 27 HN GLU 27 -1.055 13.558 -0.613 211 HA GLU 27 HA GLU 27 -0.186 11.885 -2.728 212 1HB GLU 27 HB2 GLU 27 1.114 13.682 -1.363 213 2HB GLU 27 HB1 GLU 27 1.434 12.363 -0.247 214 1HG GLU 27 HG2 GLU 27 3.242 12.035 -1.515 215 2HG GLU 27 HG1 GLU 27 2.117 11.212 -2.595 216 H ALA 28 HN ALA 28 -0.822 11.329 0.697 217 HA ALA 28 HA ALA 28 0.227 8.747 0.914 218 1HB ALA 28 HB1 ALA 28 -1.288 8.498 2.848 219 2HB ALA 28 HB2 ALA 28 -2.100 9.990 2.376 220 3HB ALA 28 HB3 ALA 28 -0.406 10.024 2.866 221 H LEU 29 HN LEU 29 -2.809 9.895 -0.389 222 HA LEU 29 HA LEU 29 -4.180 7.430 -0.447 223 1HB LEU 29 HB2 LEU 29 -5.205 9.691 -0.752 224 2HB LEU 29 HB1 LEU 29 -4.497 9.746 -2.354 225 HG LEU 29 HG LEU 29 -5.835 7.414 -2.538 226 1HD1 LEU 29 HD11 LEU 29 -7.287 9.086 -0.511 227 2HD1 LEU 29 HD12 LEU 29 -6.851 7.380 -0.421 228 3HD1 LEU 29 HD13 LEU 29 -8.113 7.910 -1.534 229 1HD2 LEU 29 HD21 LEU 29 -6.458 10.225 -3.202 230 2HD2 LEU 29 HD22 LEU 29 -7.783 9.070 -3.330 231 3HD2 LEU 29 HD23 LEU 29 -6.300 8.818 -4.251 232 H ARG 30 HN ARG 30 -2.106 9.053 -2.815 233 HA ARG 30 HA ARG 30 -2.415 6.995 -4.787 234 1HB ARG 30 HB2 ARG 30 -0.950 9.539 -4.539 235 2HB ARG 30 HB1 ARG 30 -0.155 8.328 -5.535 236 1HG ARG 30 HG2 ARG 30 -1.430 9.506 -7.060 237 2HG ARG 30 HG1 ARG 30 -2.441 8.104 -6.702 238 1HD ARG 30 HD2 ARG 30 -4.021 9.707 -6.440 239 2HD ARG 30 HD1 ARG 30 -3.341 9.765 -4.815 240 HE ARG 30 HE ARG 30 -1.907 11.548 -6.409 241 1HH1 ARG 30 HH11 ARG 30 -5.137 11.171 -5.143 242 2HH1 ARG 30 HH12 ARG 30 -5.452 12.874 -5.096 243 1HH2 ARG 30 HH21 ARG 30 -2.319 13.787 -6.347 244 2HH2 ARG 30 HH22 ARG 30 -3.853 14.359 -5.780 245 H LEU 31 HN LEU 31 -0.076 7.754 -2.275 246 HA LEU 31 HA LEU 31 1.912 5.911 -3.079 247 1HB LEU 31 HB2 LEU 31 1.345 7.572 -0.720 248 2HB LEU 31 HB1 LEU 31 2.254 6.112 -0.378 249 HG LEU 31 HG LEU 31 3.743 8.006 -0.744 250 1HD1 LEU 31 HD11 LEU 31 3.959 6.175 -3.117 251 2HD1 LEU 31 HD12 LEU 31 4.327 5.654 -1.473 252 3HD1 LEU 31 HD13 LEU 31 5.257 6.957 -2.215 253 1HD2 LEU 31 HD21 LEU 31 3.876 9.159 -2.838 254 2HD2 LEU 31 HD22 LEU 31 2.207 9.237 -2.272 255 3HD2 LEU 31 HD23 LEU 31 2.653 8.107 -3.552 256 H TYR 32 HN TYR 32 -0.701 5.689 -0.678 257 HA TYR 32 HA TYR 32 -0.131 3.051 0.140 258 1HB TYR 32 HB2 TYR 32 -2.328 4.982 0.499 259 2HB TYR 32 HB1 TYR 32 -2.810 3.292 0.607 260 HD1 TYR 32 HD1 TYR 32 -1.383 6.049 2.341 261 HD2 TYR 32 HD2 TYR 32 -1.457 1.796 2.219 262 HE1 TYR 32 HE1 TYR 32 -0.567 5.974 4.660 263 HE2 TYR 32 HE2 TYR 32 -0.642 1.710 4.538 264 HH TYR 32 HH TYR 32 0.615 3.154 6.104 265 H GLN 33 HN GLN 33 -2.278 4.358 -2.348 266 HA GLN 33 HA GLN 33 -3.571 1.989 -3.065 267 1HB GLN 33 HB2 GLN 33 -2.997 4.570 -4.452 268 2HB GLN 33 HB1 GLN 33 -3.613 3.225 -5.404 269 1HG GLN 33 HG2 GLN 33 -5.540 3.065 -3.878 270 2HG GLN 33 HG1 GLN 33 -4.933 4.472 -3.004 271 1HE2 GLN 33 HE21 GLN 33 -6.948 3.433 -5.430 272 2HE2 GLN 33 HE22 GLN 33 -7.201 4.937 -6.240 273 H HIS 34 HN HIS 34 -0.439 3.275 -4.002 274 HA HIS 34 HA HIS 34 0.041 1.400 -6.092 275 1HB HIS 34 HB2 HIS 34 1.618 3.455 -4.644 276 2HB HIS 34 HB1 HIS 34 2.530 2.162 -5.416 277 HD1 HIS 34 HD1 HIS 34 3.066 2.525 -7.807 278 HD2 HIS 34 HD2 HIS 34 -0.189 4.799 -6.583 279 HE1 HIS 34 HE1 HIS 34 2.465 3.958 -9.784 280 HE2 HIS 34 HE2 HIS 34 0.439 5.262 -9.049 281 H ALA 35 HN ALA 35 0.839 1.519 -2.655 282 HA ALA 35 HA ALA 35 2.543 -0.716 -2.582 283 1HB ALA 35 HB1 ALA 35 2.072 1.088 -0.787 284 2HB ALA 35 HB2 ALA 35 2.448 -0.556 -0.273 285 3HB ALA 35 HB3 ALA 35 0.776 0.006 -0.279 286 H VAL 36 HN VAL 36 -0.931 -0.438 -2.636 287 HA VAL 36 HA VAL 36 -1.461 -3.108 -1.755 288 HB VAL 36 HB VAL 36 -3.300 -1.321 -3.346 289 1HG1 VAL 36 HG11 VAL 36 -3.644 -3.920 -2.721 290 2HG1 VAL 36 HG12 VAL 36 -4.969 -2.764 -2.875 291 3HG1 VAL 36 HG13 VAL 36 -4.322 -3.158 -1.281 292 1HG2 VAL 36 HG21 VAL 36 -4.108 -1.088 -0.753 293 2HG2 VAL 36 HG22 VAL 36 -3.116 0.091 -1.611 294 3HG2 VAL 36 HG23 VAL 36 -2.353 -1.119 -0.581 295 H GLU 37 HN GLU 37 -1.678 -1.516 -4.941 296 HA GLU 37 HA GLU 37 -2.300 -3.806 -6.416 297 1HB GLU 37 HB2 GLU 37 -1.386 -2.510 -8.370 298 2HB GLU 37 HB1 GLU 37 -2.611 -1.672 -7.427 299 1HG GLU 37 HG2 GLU 37 -1.076 -0.200 -6.503 300 2HG GLU 37 HG1 GLU 37 0.295 -1.246 -6.872 301 H TYR 38 HN TYR 38 0.797 -2.494 -5.393 302 HA TYR 38 HA TYR 38 2.430 -4.145 -7.003 303 1HB TYR 38 HB2 TYR 38 2.796 -2.275 -4.784 304 2HB TYR 38 HB1 TYR 38 3.944 -3.610 -4.753 305 HD1 TYR 38 HD1 TYR 38 5.561 -3.902 -6.563 306 HD2 TYR 38 HD2 TYR 38 2.855 -0.619 -6.543 307 HE1 TYR 38 HE1 TYR 38 6.923 -2.776 -8.274 308 HE2 TYR 38 HE2 TYR 38 4.208 0.515 -8.253 309 HH TYR 38 HH TYR 38 7.118 0.058 -8.899 310 H PHE 39 HN PHE 39 0.852 -4.626 -3.927 311 HA PHE 39 HA PHE 39 2.328 -6.962 -3.198 312 1HB PHE 39 HB2 PHE 39 -0.045 -5.509 -2.160 313 2HB PHE 39 HB1 PHE 39 0.094 -7.211 -1.729 314 HD1 PHE 39 HD1 PHE 39 0.588 -4.175 -0.411 315 HD2 PHE 39 HD2 PHE 39 2.831 -7.696 -1.231 316 HE1 PHE 39 HE1 PHE 39 2.161 -3.585 1.385 317 HE2 PHE 39 HE2 PHE 39 4.410 -7.114 0.564 318 HZ PHE 39 HZ PHE 39 4.075 -5.056 1.876 319 H LEU 40 HN LEU 40 -0.823 -6.377 -4.709 320 HA LEU 40 HA LEU 40 -1.698 -9.030 -4.827 321 1HB LEU 40 HB2 LEU 40 -2.321 -6.538 -6.335 322 2HB LEU 40 HB1 LEU 40 -2.898 -8.062 -6.984 323 HG LEU 40 HG LEU 40 -3.485 -7.169 -4.167 324 1HD1 LEU 40 HD11 LEU 40 -5.773 -6.646 -5.146 325 2HD1 LEU 40 HD12 LEU 40 -4.973 -6.631 -6.718 326 3HD1 LEU 40 HD13 LEU 40 -4.482 -5.489 -5.467 327 1HD2 LEU 40 HD21 LEU 40 -3.656 -9.621 -4.976 328 2HD2 LEU 40 HD22 LEU 40 -5.089 -9.061 -5.841 329 3HD2 LEU 40 HD23 LEU 40 -5.005 -8.916 -4.085 330 H HIS 41 HN HIS 41 0.225 -7.135 -7.122 331 HA HIS 41 HA HIS 41 0.366 -9.112 -9.131 332 1HB HIS 41 HB2 HIS 41 0.917 -6.647 -9.368 333 2HB HIS 41 HB1 HIS 41 2.457 -7.003 -8.590 334 HD1 HIS 41 HD1 HIS 41 1.130 -6.554 -11.810 335 HD2 HIS 41 HD2 HIS 41 3.765 -9.303 -10.150 336 HE1 HIS 41 HE1 HIS 41 2.403 -7.522 -13.750 337 HE2 HIS 41 HE2 HIS 41 4.053 -9.118 -12.710 338 H ALA 42 HN ALA 42 2.185 -8.577 -6.204 339 HA ALA 42 HA ALA 42 4.396 -10.240 -6.842 340 1HB ALA 42 HB1 ALA 42 5.028 -10.030 -4.563 341 2HB ALA 42 HB2 ALA 42 3.383 -9.618 -4.076 342 3HB ALA 42 HB3 ALA 42 4.327 -8.484 -5.042 343 H ILE 43 HN ILE 43 1.249 -10.820 -5.398 344 HA ILE 43 HA ILE 43 1.843 -13.490 -4.564 345 HB ILE 43 HB ILE 43 -0.886 -12.280 -4.997 346 1HG1 ILE 43 HG12 ILE 43 0.588 -12.360 -2.373 347 2HG1 ILE 43 HG11 ILE 43 0.744 -10.990 -3.473 348 1HG2 ILE 43 HG21 ILE 43 -0.028 -14.470 -3.110 349 2HG2 ILE 43 HG22 ILE 43 -0.710 -14.760 -4.710 350 3HG2 ILE 43 HG23 ILE 43 -1.672 -13.950 -3.477 351 1HD1 ILE 43 HD11 ILE 43 -1.206 -11.390 -1.528 352 2HD1 ILE 43 HD12 ILE 43 -2.022 -11.640 -3.072 353 3HD1 ILE 43 HD13 ILE 43 -1.166 -10.130 -2.764 354 H LYS 44 HN LYS 44 0.011 -12.070 -7.259 355 HA LYS 44 HA LYS 44 -0.816 -14.460 -8.448 356 1HB LYS 44 HB2 LYS 44 -1.066 -11.750 -9.003 357 2HB LYS 44 HB1 LYS 44 -0.194 -12.380 -10.390 358 1HG LYS 44 HG2 LYS 44 -1.954 -14.050 -10.720 359 2HG LYS 44 HG1 LYS 44 -2.831 -13.400 -9.342 360 1HD LYS 44 HD2 LYS 44 -3.461 -11.510 -10.460 361 2HD LYS 44 HD1 LYS 44 -2.041 -11.530 -11.510 362 1HE LYS 44 HE2 LYS 44 -3.270 -13.810 -12.290 363 2HE LYS 44 HE1 LYS 44 -4.664 -12.830 -11.840 364 1HZ LYS 44 HZ1 LYS 44 -3.824 -12.680 -14.230 365 2HZ LYS 44 HZ2 LYS 44 -2.546 -11.770 -13.610 366 3HZ LYS 44 HZ3 LYS 44 -4.138 -11.220 -13.430 367 H TYR 45 HN TYR 45 2.023 -12.450 -9.214 368 HA TYR 45 HA TYR 45 3.071 -14.360 -11.070 369 1HB TYR 45 HB2 TYR 45 3.991 -11.760 -9.935 370 2HB TYR 45 HB1 TYR 45 5.187 -12.810 -10.680 371 HD1 TYR 45 HD1 TYR 45 1.707 -11.670 -11.460 372 HD2 TYR 45 HD2 TYR 45 5.675 -12.290 -12.860 373 HE1 TYR 45 HE1 TYR 45 1.050 -10.820 -13.680 374 HE2 TYR 45 HE2 TYR 45 5.031 -11.450 -15.080 375 HH TYR 45 HH TYR 45 2.062 -9.855 -15.650 376 H GLU 46 HN GLU 46 4.426 -13.120 -8.009 377 HA GLU 46 HA GLU 46 5.954 -15.590 -7.730 378 1HB GLU 46 HB2 GLU 46 6.099 -12.890 -6.413 379 2HB GLU 46 HB1 GLU 46 6.929 -14.280 -5.725 380 1HG GLU 46 HG2 GLU 46 7.592 -14.250 -8.451 381 2HG GLU 46 HG1 GLU 46 7.718 -12.580 -7.884 382 H ALA 47 HN ALA 47 4.168 -16.950 -7.191 383 HA ALA 47 HA ALA 47 2.697 -16.390 -4.753 384 1HB ALA 47 HB1 ALA 47 2.575 -18.880 -6.438 385 2HB ALA 47 HB2 ALA 47 1.649 -17.430 -6.786 386 3HB ALA 47 HB3 ALA 47 1.380 -18.300 -5.280 387 H HIS 48 HN HIS 48 3.518 -16.870 -2.833 388 HA HIS 48 HA HIS 48 5.541 -18.970 -2.615 389 1HB HIS 48 HB2 HIS 48 5.167 -16.420 -1.369 390 2HB HIS 48 HB1 HIS 48 5.185 -17.660 -0.125 391 HD1 HIS 48 HD1 HIS 48 7.364 -15.840 -2.483 392 HD2 HIS 48 HD2 HIS 48 7.625 -19.150 0.020 393 HE1 HIS 48 HE1 HIS 48 9.821 -16.340 -2.283 394 HE2 HIS 48 HE2 HIS 48 9.960 -18.300 -0.708 395 H SER 49 HN SER 49 5.304 -19.650 0.038 396 HA SER 49 HA SER 49 3.301 -21.630 -0.030 397 1HB SER 49 HB2 SER 49 5.535 -21.270 1.453 398 2HB SER 49 HB1 SER 49 4.309 -20.800 2.632 399 HG SER 49 HG SER 49 4.552 -23.260 1.249 400 H ASP 50 HN ASP 50 1.724 -21.870 1.896 401 HA ASP 50 HA ASP 50 -0.274 -19.930 1.648 402 1HB ASP 50 HB2 ASP 50 -0.182 -22.460 2.638 403 2HB ASP 50 HB1 ASP 50 -0.308 -21.530 4.131 404 H LYS 51 HN LYS 51 2.295 -20.310 4.010 405 HA LYS 51 HA LYS 51 1.379 -18.510 5.949 406 1HB LYS 51 HB2 LYS 51 4.056 -19.590 5.179 407 2HB LYS 51 HB1 LYS 51 3.983 -18.240 6.306 408 1HG LYS 51 HG2 LYS 51 2.154 -20.430 6.959 409 2HG LYS 51 HG1 LYS 51 3.859 -20.880 6.981 410 1HD LYS 51 HD2 LYS 51 4.340 -19.030 8.502 411 2HD LYS 51 HD1 LYS 51 2.642 -18.550 8.464 412 1HE LYS 51 HE2 LYS 51 2.034 -20.160 9.913 413 2HE LYS 51 HE1 LYS 51 3.079 -21.360 9.164 414 1HZ LYS 51 HZ1 LYS 51 3.628 -19.540 11.371 415 2HZ LYS 51 HZ2 LYS 51 4.905 -19.840 10.304 416 3HZ LYS 51 HZ3 LYS 51 4.162 -21.130 11.118 417 H ALA 52 HN ALA 52 3.566 -17.980 3.192 418 HA ALA 52 HA ALA 52 3.773 -15.170 3.661 419 1HB ALA 52 HB1 ALA 52 5.335 -15.180 2.033 420 2HB ALA 52 HB2 ALA 52 4.368 -16.190 0.960 421 3HB ALA 52 HB3 ALA 52 5.278 -16.920 2.281 422 H LYS 53 HN LYS 53 1.779 -17.220 1.616 423 HA LYS 53 HA LYS 53 0.675 -15.150 0.026 424 1HB LYS 53 HB2 LYS 53 0.610 -17.840 -0.113 425 2HB LYS 53 HB1 LYS 53 -0.974 -17.550 0.593 426 1HG LYS 53 HG2 LYS 53 -1.699 -16.310 -1.259 427 2HG LYS 53 HG1 LYS 53 -0.056 -16.110 -1.870 428 1HD LYS 53 HD2 LYS 53 0.006 -18.190 -2.798 429 2HD LYS 53 HD1 LYS 53 -1.052 -18.880 -1.570 430 1HE LYS 53 HE2 LYS 53 -2.750 -17.160 -2.796 431 2HE LYS 53 HE1 LYS 53 -1.709 -17.620 -4.143 432 1HZ LYS 53 HZ1 LYS 53 -2.256 -19.880 -3.871 433 2HZ LYS 53 HZ2 LYS 53 -3.725 -19.050 -3.775 434 3HZ LYS 53 HZ3 LYS 53 -2.985 -19.620 -2.366 435 H GLU 54 HN GLU 54 -0.246 -16.580 3.106 436 HA GLU 54 HA GLU 54 -2.763 -15.240 3.272 437 1HB GLU 54 HB2 GLU 54 -1.930 -17.380 4.506 438 2HB GLU 54 HB1 GLU 54 -1.266 -16.240 5.668 439 1HG GLU 54 HG2 GLU 54 -3.545 -15.270 5.917 440 2HG GLU 54 HG1 GLU 54 -4.152 -16.570 4.890 441 H SER 55 HN SER 55 0.499 -14.590 4.420 442 HA SER 55 HA SER 55 -0.131 -12.430 6.120 443 1HB SER 55 HB2 SER 55 2.396 -13.210 4.666 444 2HB SER 55 HB1 SER 55 2.314 -11.800 5.727 445 HG SER 55 HG SER 55 3.008 -13.550 6.927 446 H ILE 56 HN ILE 56 0.815 -12.550 2.704 447 HA ILE 56 HA ILE 56 0.801 -9.736 2.332 448 HB ILE 56 HB ILE 56 0.446 -11.840 0.202 449 1HG1 ILE 56 HG12 ILE 56 3.107 -10.640 0.781 450 2HG1 ILE 56 HG11 ILE 56 2.521 -11.870 1.893 451 1HG2 ILE 56 HG21 ILE 56 1.926 -9.345 -0.309 452 2HG2 ILE 56 HG22 ILE 56 0.187 -9.181 -0.068 453 3HG2 ILE 56 HG23 ILE 56 0.807 -10.230 -1.341 454 1HD1 ILE 56 HD11 ILE 56 3.376 -12.100 -0.926 455 2HD1 ILE 56 HD12 ILE 56 2.061 -13.150 -0.387 456 3HD1 ILE 56 HD13 ILE 56 3.621 -13.200 0.433 457 H ARG 57 HN ARG 57 -1.580 -12.290 1.754 458 HA ARG 57 HA ARG 57 -3.504 -10.750 0.429 459 1HB ARG 57 HB2 ARG 57 -3.362 -13.320 0.887 460 2HB ARG 57 HB1 ARG 57 -4.299 -12.930 2.322 461 1HG ARG 57 HG2 ARG 57 -5.945 -13.460 0.811 462 2HG ARG 57 HG1 ARG 57 -5.861 -11.700 0.646 463 1HD ARG 57 HD2 ARG 57 -4.218 -12.120 -1.253 464 2HD ARG 57 HD1 ARG 57 -4.733 -13.810 -1.181 465 HE ARG 57 HE ARG 57 -6.704 -13.220 -2.187 466 1HH1 ARG 57 HH11 ARG 57 -5.099 -10.330 -1.054 467 2HH1 ARG 57 HH12 ARG 57 -6.201 -9.261 -1.846 468 1HH2 ARG 57 HH21 ARG 57 -8.154 -11.800 -3.231 469 2HH2 ARG 57 HH22 ARG 57 -7.936 -10.090 -3.082 470 H ALA 58 HN ALA 58 -3.134 -11.440 3.896 471 HA ALA 58 HA ALA 58 -5.388 -9.958 4.726 472 1HB ALA 58 HB1 ALA 58 -4.749 -10.440 6.884 473 2HB ALA 58 HB2 ALA 58 -3.028 -10.330 6.512 474 3HB ALA 58 HB3 ALA 58 -3.960 -11.740 5.989 475 H LYS 59 HN LYS 59 -2.090 -9.085 4.009 476 HA LYS 59 HA LYS 59 -2.060 -6.583 5.337 477 1HB LYS 59 HB2 LYS 59 -0.251 -8.132 3.844 478 2HB LYS 59 HB1 LYS 59 -0.383 -6.602 2.988 479 1HG LYS 59 HG2 LYS 59 1.231 -5.968 4.408 480 2HG LYS 59 HG1 LYS 59 -0.119 -5.711 5.516 481 1HD LYS 59 HD2 LYS 59 0.555 -7.358 6.868 482 2HD LYS 59 HD1 LYS 59 0.802 -8.468 5.518 483 1HE LYS 59 HE2 LYS 59 2.890 -6.765 5.187 484 2HE LYS 59 HE1 LYS 59 2.723 -6.758 6.943 485 1HZ LYS 59 HZ1 LYS 59 2.576 -9.353 6.495 486 2HZ LYS 59 HZ2 LYS 59 4.050 -8.557 6.728 487 3HZ LYS 59 HZ3 LYS 59 3.524 -8.920 5.162 488 H CYS 60 HN CYS 60 -3.072 -7.607 2.131 489 HA CYS 60 HA CYS 60 -3.352 -5.019 1.017 490 1HB CYS 60 HB2 CYS 60 -4.234 -7.765 0.295 491 2HB CYS 60 HB1 CYS 60 -5.088 -6.423 -0.457 492 HG CYS 60 HG CYS 60 -2.699 -5.641 -1.377 493 H VAL 61 HN VAL 61 -5.493 -7.093 2.873 494 HA VAL 61 HA VAL 61 -7.881 -5.650 2.434 495 HB VAL 61 HB VAL 61 -7.182 -7.275 4.883 496 1HG1 VAL 61 HG11 VAL 61 -9.711 -6.182 3.741 497 2HG1 VAL 61 HG12 VAL 61 -9.163 -6.237 5.416 498 3HG1 VAL 61 HG13 VAL 61 -9.752 -7.704 4.632 499 1HG2 VAL 61 HG21 VAL 61 -7.479 -9.197 3.754 500 2HG2 VAL 61 HG22 VAL 61 -7.085 -8.224 2.337 501 3HG2 VAL 61 HG23 VAL 61 -8.771 -8.527 2.756 502 H GLN 62 HN GLN 62 -5.314 -5.354 4.834 503 HA GLN 62 HA GLN 62 -6.679 -3.385 6.400 504 1HB GLN 62 HB2 GLN 62 -4.591 -5.019 6.901 505 2HB GLN 62 HB1 GLN 62 -3.723 -3.537 6.520 506 1HG GLN 62 HG2 GLN 62 -5.735 -2.722 8.239 507 2HG GLN 62 HG1 GLN 62 -5.195 -4.265 8.897 508 1HE2 GLN 62 HE21 GLN 62 -4.047 -1.123 7.775 509 2HE2 GLN 62 HE22 GLN 62 -2.673 -1.049 8.818 510 H TYR 63 HN TYR 63 -4.195 -3.305 3.884 511 HA TYR 63 HA TYR 63 -3.687 -0.528 4.028 512 1HB TYR 63 HB2 TYR 63 -3.245 -2.582 1.867 513 2HB TYR 63 HB1 TYR 63 -2.798 -0.893 1.657 514 HD1 TYR 63 HD1 TYR 63 -1.340 -3.850 2.157 515 HD2 TYR 63 HD2 TYR 63 -1.623 -0.098 4.141 516 HE1 TYR 63 HE1 TYR 63 0.807 -4.286 3.274 517 HE2 TYR 63 HE2 TYR 63 0.523 -0.522 5.263 518 HH TYR 63 HH TYR 63 2.663 -2.882 4.307 519 H LEU 64 HN LEU 64 -6.018 -2.450 2.233 520 HA LEU 64 HA LEU 64 -6.910 -0.366 0.527 521 1HB LEU 64 HB2 LEU 64 -7.916 -3.058 1.308 522 2HB LEU 64 HB1 LEU 64 -9.030 -1.955 0.524 523 HG LEU 64 HG LEU 64 -6.367 -2.476 -0.732 524 1HD1 LEU 64 HD11 LEU 64 -8.778 -4.272 -0.955 525 2HD1 LEU 64 HD12 LEU 64 -7.224 -4.692 -0.234 526 3HD1 LEU 64 HD13 LEU 64 -7.333 -4.361 -1.963 527 1HD2 LEU 64 HD21 LEU 64 -9.110 -1.905 -1.848 528 2HD2 LEU 64 HD22 LEU 64 -7.615 -2.037 -2.773 529 3HD2 LEU 64 HD23 LEU 64 -7.826 -0.719 -1.621 530 H ASP 65 HN ASP 65 -7.729 -1.348 3.773 531 HA ASP 65 HA ASP 65 -10.150 0.155 3.924 532 1HB ASP 65 HB2 ASP 65 -9.022 -1.826 5.448 533 2HB ASP 65 HB1 ASP 65 -8.793 -0.405 6.463 534 H ARG 66 HN ARG 66 -6.787 0.806 4.532 535 HA ARG 66 HA ARG 66 -7.248 3.236 5.989 536 1HB ARG 66 HB2 ARG 66 -4.904 1.718 5.022 537 2HB ARG 66 HB1 ARG 66 -4.677 3.455 5.165 538 1HG ARG 66 HG2 ARG 66 -5.939 2.102 7.465 539 2HG ARG 66 HG1 ARG 66 -4.236 1.748 7.169 540 1HD ARG 66 HD2 ARG 66 -3.907 3.597 8.415 541 2HD ARG 66 HD1 ARG 66 -4.219 4.427 6.891 542 HE ARG 66 HE ARG 66 -6.672 4.036 8.141 543 1HH1 ARG 66 HH11 ARG 66 -3.710 5.791 8.716 544 2HH1 ARG 66 HH12 ARG 66 -4.485 7.052 9.614 545 1HH2 ARG 66 HH21 ARG 66 -7.693 5.695 9.322 546 2HH2 ARG 66 HH22 ARG 66 -6.745 6.998 9.959 547 H ALA 67 HN ALA 67 -6.726 2.351 2.647 548 HA ALA 67 HA ALA 67 -6.184 4.983 1.699 549 1HB ALA 67 HB1 ALA 67 -7.355 2.895 -0.077 550 2HB ALA 67 HB2 ALA 67 -5.746 2.643 0.602 551 3HB ALA 67 HB3 ALA 67 -6.070 4.059 -0.398 552 H GLU 68 HN GLU 68 -9.089 3.154 2.309 553 HA GLU 68 HA GLU 68 -10.850 4.756 0.759 554 1HB GLU 68 HB2 GLU 68 -11.090 2.592 2.744 555 2HB GLU 68 HB1 GLU 68 -12.450 3.700 2.690 556 1HG GLU 68 HG2 GLU 68 -11.410 2.586 0.138 557 2HG GLU 68 HG1 GLU 68 -12.380 1.555 1.189 558 H LYS 69 HN LYS 69 -9.839 4.816 4.147 559 HA LYS 69 HA LYS 69 -11.610 6.884 4.938 560 1HB LYS 69 HB2 LYS 69 -10.330 5.203 6.411 561 2HB LYS 69 HB1 LYS 69 -8.979 6.310 6.266 562 1HG LYS 69 HG2 LYS 69 -9.975 6.943 8.256 563 2HG LYS 69 HG1 LYS 69 -10.620 8.103 7.096 564 1HD LYS 69 HD2 LYS 69 -12.340 5.859 7.082 565 2HD LYS 69 HD1 LYS 69 -12.020 6.251 8.772 566 1HE LYS 69 HE2 LYS 69 -12.660 8.479 6.914 567 2HE LYS 69 HE1 LYS 69 -13.970 7.413 7.414 568 1HZ LYS 69 HZ1 LYS 69 -13.280 7.861 9.749 569 2HZ LYS 69 HZ2 LYS 69 -13.880 9.214 8.933 570 3HZ LYS 69 HZ3 LYS 69 -12.220 9.041 9.163 571 H LEU 70 HN LEU 70 -8.329 6.845 3.684 572 HA LEU 70 HA LEU 70 -7.663 9.521 4.197 573 1HB LEU 70 HB2 LEU 70 -6.749 7.612 2.052 574 2HB LEU 70 HB1 LEU 70 -6.062 9.213 2.261 575 HG LEU 70 HG LEU 70 -6.054 7.105 4.418 576 1HD1 LEU 70 HD11 LEU 70 -3.554 7.823 3.033 577 2HD1 LEU 70 HD12 LEU 70 -4.693 6.834 2.117 578 3HD1 LEU 70 HD13 LEU 70 -4.094 6.273 3.677 579 1HD2 LEU 70 HD21 LEU 70 -4.479 9.659 4.122 580 2HD2 LEU 70 HD22 LEU 70 -4.409 8.528 5.473 581 3HD2 LEU 70 HD23 LEU 70 -5.883 9.447 5.168 582 H LYS 71 HN LYS 71 -9.272 8.004 1.435 583 HA LYS 71 HA LYS 71 -9.393 10.319 -0.179 584 1HB LYS 71 HB2 LYS 71 -9.892 7.738 -0.650 585 2HB LYS 71 HB1 LYS 71 -11.540 8.278 -0.388 586 1HG LYS 71 HG2 LYS 71 -10.800 10.168 -2.087 587 2HG LYS 71 HG1 LYS 71 -9.662 8.919 -2.584 588 1HD LYS 71 HD2 LYS 71 -11.950 7.480 -2.424 589 2HD LYS 71 HD1 LYS 71 -12.580 9.055 -2.908 590 1HE LYS 71 HE2 LYS 71 -11.100 9.096 -4.824 591 2HE LYS 71 HE1 LYS 71 -10.360 7.582 -4.315 592 1HZ LYS 71 HZ1 LYS 71 -12.420 6.442 -4.678 593 2HZ LYS 71 HZ2 LYS 71 -12.020 7.291 -6.084 594 3HZ LYS 71 HZ3 LYS 71 -13.220 7.888 -5.052 595 H ASP 72 HN ASP 72 -11.730 8.868 2.061 596 HA ASP 72 HA ASP 72 -13.800 10.713 1.632 597 1HB ASP 72 HB2 ASP 72 -13.110 8.774 3.793 598 2HB ASP 72 HB1 ASP 72 -14.350 9.984 4.124 599 H TYR 73 HN TYR 73 -10.910 10.883 3.569 600 HA TYR 73 HA TYR 73 -11.770 13.116 5.150 601 1HB TYR 73 HB2 TYR 73 -10.070 11.549 5.974 602 2HB TYR 73 HB1 TYR 73 -8.995 12.015 4.661 603 HD1 TYR 73 HD1 TYR 73 -7.934 14.233 4.654 604 HD2 TYR 73 HD2 TYR 73 -10.350 12.948 7.908 605 HE1 TYR 73 HE1 TYR 73 -7.005 16.033 6.048 606 HE2 TYR 73 HE2 TYR 73 -9.434 14.746 9.311 607 HH TYR 73 HH TYR 73 -7.509 16.179 9.440 608 H LEU 74 HN LEU 74 -9.520 12.727 2.416 609 HA LEU 74 HA LEU 74 -8.973 15.504 2.179 610 1HB LEU 74 HB2 LEU 74 -7.988 14.897 -0.006 611 2HB LEU 74 HB1 LEU 74 -7.398 13.912 1.319 612 HG LEU 74 HG LEU 74 -9.376 12.316 0.474 613 1HD1 LEU 74 HD11 LEU 74 -10.050 13.857 -1.308 614 2HD1 LEU 74 HD12 LEU 74 -9.490 12.315 -1.950 615 3HD1 LEU 74 HD13 LEU 74 -8.448 13.736 -2.017 616 1HD2 LEU 74 HD21 LEU 74 -7.123 11.572 0.742 617 2HD2 LEU 74 HD22 LEU 74 -6.585 12.533 -0.635 618 3HD2 LEU 74 HD23 LEU 74 -7.642 11.145 -0.890 619 H ARG 75 HN ARG 75 -11.410 13.395 0.842 620 HA ARG 75 HA ARG 75 -12.310 15.292 -1.126 621 1HB ARG 75 HB2 ARG 75 -13.300 12.639 -0.141 622 2HB ARG 75 HB1 ARG 75 -14.330 13.648 -1.154 623 1HG ARG 75 HG2 ARG 75 -12.580 13.657 -2.882 624 2HG ARG 75 HG1 ARG 75 -11.600 12.594 -1.872 625 1HD ARG 75 HD2 ARG 75 -13.170 10.827 -2.050 626 2HD ARG 75 HD1 ARG 75 -14.390 11.890 -2.744 627 HE ARG 75 HE ARG 75 -12.230 10.594 -4.127 628 1HH1 ARG 75 HH11 ARG 75 -14.480 13.260 -4.188 629 2HH1 ARG 75 HH12 ARG 75 -14.410 13.446 -5.908 630 1HH2 ARG 75 HH21 ARG 75 -12.130 10.837 -6.389 631 2HH2 ARG 75 HH22 ARG 75 -13.070 12.070 -7.158 632 H SER 76 HN SER 76 -13.520 14.120 2.002 633 HA SER 76 HA SER 76 -15.850 15.663 2.085 634 1HB SER 76 HB2 SER 76 -15.400 13.775 3.615 635 2HB SER 76 HB1 SER 76 -14.160 14.740 4.416 636 HG SER 76 HG SER 76 -16.840 14.759 4.772 637 H LYS 77 HN LYS 77 -12.550 16.395 3.075 638 HA LYS 77 HA LYS 77 -13.360 19.061 3.954 639 1HB LYS 77 HB2 LYS 77 -11.600 17.396 5.075 640 2HB LYS 77 HB1 LYS 77 -10.500 18.207 3.965 641 1HG LYS 77 HG2 LYS 77 -10.290 19.819 5.466 642 2HG LYS 77 HG1 LYS 77 -11.970 20.253 5.171 643 1HD LYS 77 HD2 LYS 77 -12.230 19.836 7.367 644 2HD LYS 77 HD1 LYS 77 -12.260 18.146 6.862 645 1HE LYS 77 HE2 LYS 77 -9.822 18.026 7.223 646 2HE LYS 77 HE1 LYS 77 -9.852 19.688 7.814 647 1HZ LYS 77 HZ1 LYS 77 -10.010 17.637 9.433 648 2HZ LYS 77 HZ2 LYS 77 -11.660 17.769 9.075 649 3HZ LYS 77 HZ3 LYS 77 -10.830 19.081 9.751 Start of MODEL 13 1 1H MET 1 HT1 MET 1 14.213 0.053 -15.710 2 2H MET 1 HT2 MET 1 14.766 -1.373 -16.490 3 3H MET 1 HT3 MET 1 15.762 0.024 -16.440 4 HA MET 1 HA MET 1 16.576 -1.492 -14.880 5 1HB MET 1 HB2 MET 1 15.115 0.938 -13.930 6 2HB MET 1 HB1 MET 1 15.880 -0.103 -12.740 7 1HG MET 1 HG2 MET 1 17.962 0.507 -13.340 8 2HG MET 1 HG1 MET 1 17.548 0.649 -15.040 9 1HE MET 1 HE1 MET 1 19.409 2.500 -13.140 10 2HE MET 1 HE2 MET 1 19.011 4.147 -13.630 11 3HE MET 1 HE3 MET 1 19.308 2.910 -14.850 12 H THR 2 HN THR 2 16.254 -3.211 -13.590 13 HA THR 2 HA THR 2 13.477 -3.966 -13.020 14 HB THR 2 HB THR 2 14.302 -6.233 -12.770 15 HG1 THR 2 HG1 THR 2 16.873 -5.106 -13.160 16 1HG2 THR 2 HG21 THR 2 13.948 -5.355 -15.090 17 2HG2 THR 2 HG22 THR 2 15.032 -6.739 -14.950 18 3HG2 THR 2 HG23 THR 2 15.693 -5.122 -15.180 19 H THR 3 HN THR 3 12.711 -4.211 -11.000 20 HA THR 3 HA THR 3 14.597 -4.118 -8.757 21 HB THR 3 HB THR 3 12.105 -2.413 -8.912 22 HG1 THR 3 HG1 THR 3 13.425 -1.283 -10.130 23 1HG2 THR 3 HG21 THR 3 12.480 -2.754 -6.648 24 2HG2 THR 3 HG22 THR 3 13.310 -1.236 -6.988 25 3HG2 THR 3 HG23 THR 3 14.232 -2.731 -6.836 26 H SER 4 HN SER 4 13.613 -4.780 -6.699 27 HA SER 4 HA SER 4 12.032 -7.126 -7.046 28 1HB SER 4 HB2 SER 4 13.249 -5.707 -4.709 29 2HB SER 4 HB1 SER 4 12.022 -6.938 -4.414 30 HG SER 4 HG SER 4 13.330 -8.383 -5.652 31 H THR 5 HN THR 5 9.914 -7.516 -6.546 32 HA THR 5 HA THR 5 8.149 -5.253 -6.561 33 HB THR 5 HB THR 5 7.398 -8.148 -6.144 34 HG1 THR 5 HG1 THR 5 7.400 -8.380 -8.326 35 1HG2 THR 5 HG21 THR 5 5.288 -7.633 -6.912 36 2HG2 THR 5 HG22 THR 5 5.816 -6.133 -7.673 37 3HG2 THR 5 HG23 THR 5 5.684 -6.233 -5.917 38 H LEU 6 HN LEU 6 9.296 -7.556 -4.185 39 HA LEU 6 HA LEU 6 7.396 -6.853 -2.169 40 1HB LEU 6 HB2 LEU 6 9.775 -8.581 -2.381 41 2HB LEU 6 HB1 LEU 6 9.464 -7.936 -0.781 42 HG LEU 6 HG LEU 6 8.479 -10.170 -1.134 43 1HD1 LEU 6 HD11 LEU 6 7.484 -8.226 0.307 44 2HD1 LEU 6 HD12 LEU 6 6.592 -9.730 0.085 45 3HD1 LEU 6 HD13 LEU 6 6.174 -8.309 -0.871 46 1HD2 LEU 6 HD21 LEU 6 6.545 -10.420 -2.591 47 2HD2 LEU 6 HD22 LEU 6 7.967 -9.948 -3.518 48 3HD2 LEU 6 HD23 LEU 6 6.722 -8.759 -3.135 49 H GLN 7 HN GLN 7 10.762 -5.966 -2.837 50 HA GLN 7 HA GLN 7 11.104 -4.338 -0.551 51 1HB GLN 7 HB2 GLN 7 12.854 -5.320 -2.229 52 2HB GLN 7 HB1 GLN 7 12.575 -3.825 -3.110 53 1HG GLN 7 HG2 GLN 7 14.333 -3.187 -1.828 54 2HG GLN 7 HG1 GLN 7 13.010 -2.750 -0.746 55 1HE2 GLN 7 HE21 GLN 7 13.322 -3.330 1.268 56 2HE2 GLN 7 HE22 GLN 7 14.214 -4.706 1.814 57 H LYS 8 HN LYS 8 9.825 -3.732 -3.755 58 HA LYS 8 HA LYS 8 9.799 -0.881 -3.499 59 1HB LYS 8 HB2 LYS 8 8.997 -2.868 -5.496 60 2HB LYS 8 HB1 LYS 8 7.923 -1.477 -5.428 61 1HG LYS 8 HG2 LYS 8 10.337 -0.255 -5.410 62 2HG LYS 8 HG1 LYS 8 10.691 -1.687 -6.377 63 1HD LYS 8 HD2 LYS 8 9.577 -0.873 -8.132 64 2HD LYS 8 HD1 LYS 8 8.168 -0.490 -7.140 65 1HE LYS 8 HE2 LYS 8 8.683 1.674 -7.119 66 2HE LYS 8 HE1 LYS 8 10.334 1.337 -6.602 67 1HZ LYS 8 HZ1 LYS 8 10.533 2.401 -8.657 68 2HZ LYS 8 HZ2 LYS 8 9.279 1.509 -9.360 69 3HZ LYS 8 HZ3 LYS 8 10.758 0.763 -9.018 70 H ALA 9 HN ALA 9 7.572 -3.481 -2.782 71 HA ALA 9 HA ALA 9 5.252 -1.880 -2.454 72 1HB ALA 9 HB1 ALA 9 5.933 -4.600 -1.345 73 2HB ALA 9 HB2 ALA 9 5.047 -4.252 -2.830 74 3HB ALA 9 HB3 ALA 9 4.339 -3.850 -1.266 75 H ILE 10 HN ILE 10 7.857 -2.855 -0.312 76 HA ILE 10 HA ILE 10 6.606 -1.955 2.091 77 HB ILE 10 HB ILE 10 9.558 -2.341 1.598 78 1HG1 ILE 10 HG12 ILE 10 7.837 -4.423 2.878 79 2HG1 ILE 10 HG11 ILE 10 7.837 -4.296 1.122 80 1HG2 ILE 10 HG21 ILE 10 9.424 -2.926 4.095 81 2HG2 ILE 10 HG22 ILE 10 7.864 -2.104 4.057 82 3HG2 ILE 10 HG23 ILE 10 9.333 -1.226 3.631 83 1HD1 ILE 10 HD11 ILE 10 10.387 -4.428 1.314 84 2HD1 ILE 10 HD12 ILE 10 9.451 -5.898 1.579 85 3HD1 ILE 10 HD13 ILE 10 10.091 -5.001 2.955 86 H ASP 11 HN ASP 11 8.587 -0.468 -0.364 87 HA ASP 11 HA ASP 11 9.232 1.860 1.185 88 1HB ASP 11 HB2 ASP 11 10.310 0.757 -1.044 89 2HB ASP 11 HB1 ASP 11 9.342 2.041 -1.764 90 H LEU 12 HN LEU 12 6.682 0.915 -0.999 91 HA LEU 12 HA LEU 12 5.674 3.544 -1.460 92 1HB LEU 12 HB2 LEU 12 4.862 0.783 -2.088 93 2HB LEU 12 HB1 LEU 12 3.540 1.922 -1.925 94 HG LEU 12 HG LEU 12 4.329 1.642 -4.260 95 1HD1 LEU 12 HD11 LEU 12 3.473 3.876 -3.039 96 2HD1 LEU 12 HD12 LEU 12 3.834 3.784 -4.764 97 3HD1 LEU 12 HD13 LEU 12 5.031 4.439 -3.646 98 1HD2 LEU 12 HD21 LEU 12 6.870 2.701 -3.067 99 2HD2 LEU 12 HD22 LEU 12 6.495 2.904 -4.779 100 3HD2 LEU 12 HD23 LEU 12 6.634 1.286 -4.092 101 H VAL 13 HN VAL 13 5.074 1.042 0.922 102 HA VAL 13 HA VAL 13 2.767 2.358 2.038 103 HB VAL 13 HB VAL 13 3.003 0.662 3.868 104 1HG1 VAL 13 HG11 VAL 13 3.057 -0.612 1.144 105 2HG1 VAL 13 HG12 VAL 13 1.694 0.343 1.728 106 3HG1 VAL 13 HG13 VAL 13 2.166 -1.131 2.575 107 1HG2 VAL 13 HG21 VAL 13 5.539 0.486 3.450 108 2HG2 VAL 13 HG22 VAL 13 5.100 -0.648 2.172 109 3HG2 VAL 13 HG23 VAL 13 4.651 -0.985 3.844 110 H THR 14 HN THR 14 6.206 2.282 2.641 111 HA THR 14 HA THR 14 6.098 3.457 5.238 112 HB THR 14 HB THR 14 8.397 3.417 3.274 113 HG1 THR 14 HG1 THR 14 8.694 1.418 3.817 114 1HG2 THR 14 HG21 THR 14 8.196 4.112 6.149 115 2HG2 THR 14 HG22 THR 14 9.213 4.799 4.883 116 3HG2 THR 14 HG23 THR 14 9.621 3.237 5.592 117 H LYS 15 HN LYS 15 6.376 4.698 1.963 118 HA LYS 15 HA LYS 15 6.967 7.382 2.734 119 1HB LYS 15 HB2 LYS 15 6.836 5.912 0.323 120 2HB LYS 15 HB1 LYS 15 5.710 7.251 0.155 121 1HG LYS 15 HG2 LYS 15 7.348 8.748 -0.038 122 2HG LYS 15 HG1 LYS 15 8.262 8.053 1.302 123 1HD LYS 15 HD2 LYS 15 8.762 6.150 -0.433 124 2HD LYS 15 HD1 LYS 15 8.360 7.402 -1.610 125 1HE LYS 15 HE2 LYS 15 10.176 8.301 0.497 126 2HE LYS 15 HE1 LYS 15 10.829 6.998 -0.494 127 1HZ LYS 15 HZ1 LYS 15 10.748 8.281 -2.387 128 2HZ LYS 15 HZ2 LYS 15 11.160 9.436 -1.223 129 3HZ LYS 15 HZ3 LYS 15 9.567 9.327 -1.778 130 H ALA 16 HN ALA 16 4.048 5.541 2.265 131 HA ALA 16 HA ALA 16 2.274 7.759 2.049 132 1HB ALA 16 HB1 ALA 16 2.010 5.124 1.568 133 2HB ALA 16 HB2 ALA 16 0.646 6.219 1.793 134 3HB ALA 16 HB3 ALA 16 1.216 5.233 3.139 135 H THR 17 HN THR 17 3.178 5.613 4.739 136 HA THR 17 HA THR 17 1.519 6.728 6.686 137 HB THR 17 HB THR 17 2.622 4.633 7.099 138 HG1 THR 17 HG1 THR 17 3.731 6.570 8.846 139 1HG2 THR 17 HG21 THR 17 4.680 4.928 5.869 140 2HG2 THR 17 HG22 THR 17 5.021 4.467 7.536 141 3HG2 THR 17 HG23 THR 17 5.223 6.143 7.027 142 H GLU 18 HN GLU 18 4.817 7.597 5.728 143 HA GLU 18 HA GLU 18 5.170 9.598 7.705 144 1HB GLU 18 HB2 GLU 18 7.085 10.317 6.343 145 2HB GLU 18 HB1 GLU 18 7.071 8.575 6.576 146 1HG GLU 18 HG2 GLU 18 6.185 8.255 4.346 147 2HG GLU 18 HG1 GLU 18 6.103 9.999 4.107 148 H GLU 19 HN GLU 19 3.730 9.575 4.526 149 HA GLU 19 HA GLU 19 3.667 12.417 4.213 150 1HB GLU 19 HB2 GLU 19 2.733 10.065 2.722 151 2HB GLU 19 HB1 GLU 19 1.693 11.473 2.559 152 1HG GLU 19 HG2 GLU 19 3.156 12.550 1.268 153 2HG GLU 19 HG1 GLU 19 4.529 12.086 2.272 154 H ASP 20 HN ASP 20 1.436 9.978 5.433 155 HA ASP 20 HA ASP 20 -0.899 11.460 5.585 156 1HB ASP 20 HB2 ASP 20 -0.335 8.958 6.229 157 2HB ASP 20 HB1 ASP 20 -0.198 9.638 7.848 158 H LYS 21 HN LYS 21 1.705 11.205 7.991 159 HA LYS 21 HA LYS 21 0.479 13.072 9.780 160 1HB LYS 21 HB2 LYS 21 2.565 12.917 11.046 161 2HB LYS 21 HB1 LYS 21 1.978 11.321 10.603 162 1HG LYS 21 HG2 LYS 21 3.579 11.513 8.603 163 2HG LYS 21 HG1 LYS 21 4.319 12.833 9.512 164 1HD LYS 21 HD2 LYS 21 4.022 10.766 11.361 165 2HD LYS 21 HD1 LYS 21 4.563 9.975 9.879 166 1HE LYS 21 HE2 LYS 21 6.618 10.848 10.030 167 2HE LYS 21 HE1 LYS 21 6.006 12.442 10.473 168 1HZ LYS 21 HZ1 LYS 21 6.256 10.138 12.332 169 2HZ LYS 21 HZ2 LYS 21 5.752 11.700 12.740 170 3HZ LYS 21 HZ3 LYS 21 7.344 11.431 12.235 171 H ALA 22 HN ALA 22 2.344 13.386 6.943 172 HA ALA 22 HA ALA 22 3.321 16.043 7.659 173 1HB ALA 22 HB1 ALA 22 3.781 14.352 5.206 174 2HB ALA 22 HB2 ALA 22 4.901 14.609 6.543 175 3HB ALA 22 HB3 ALA 22 4.481 15.949 5.475 176 H LYS 23 HN LYS 23 0.424 15.358 7.178 177 HA LYS 23 HA LYS 23 -1.407 16.297 6.213 178 1HB LYS 23 HB2 LYS 23 0.319 18.358 6.797 179 2HB LYS 23 HB1 LYS 23 -0.036 18.636 5.099 180 1HG LYS 23 HG2 LYS 23 -1.898 19.651 5.729 181 2HG LYS 23 HG1 LYS 23 -2.504 18.084 6.265 182 1HD LYS 23 HD2 LYS 23 -0.734 19.139 8.252 183 2HD LYS 23 HD1 LYS 23 -1.933 20.364 7.833 184 1HE LYS 23 HE2 LYS 23 -3.021 17.663 8.169 185 2HE LYS 23 HE1 LYS 23 -2.311 18.347 9.630 186 1HZ LYS 23 HZ1 LYS 23 -3.734 20.414 8.834 187 2HZ LYS 23 HZ2 LYS 23 -4.387 19.194 9.807 188 3HZ LYS 23 HZ3 LYS 23 -4.674 19.189 8.140 189 H ASN 24 HN ASN 24 -0.206 14.408 4.644 190 HA ASN 24 HA ASN 24 -0.561 15.516 1.937 191 1HB ASN 24 HB2 ASN 24 1.394 13.415 2.879 192 2HB ASN 24 HB1 ASN 24 1.004 13.668 1.181 193 1HD2 ASN 24 HD21 ASN 24 1.875 15.365 0.107 194 2HD2 ASN 24 HD22 ASN 24 3.019 16.459 0.799 195 H TYR 25 HN TYR 25 -2.732 14.630 3.317 196 HA TYR 25 HA TYR 25 -3.425 11.964 3.222 197 1HB TYR 25 HB2 TYR 25 -5.122 14.421 2.774 198 2HB TYR 25 HB1 TYR 25 -5.796 12.802 2.929 199 HD1 TYR 25 HD1 TYR 25 -5.287 11.516 5.090 200 HD2 TYR 25 HD2 TYR 25 -4.681 15.707 4.675 201 HE1 TYR 25 HE1 TYR 25 -5.307 11.755 7.537 202 HE2 TYR 25 HE2 TYR 25 -4.699 15.957 7.121 203 HH TYR 25 HH TYR 25 -4.349 14.647 9.110 204 H GLU 26 HN GLU 26 -3.581 14.362 0.625 205 HA GLU 26 HA GLU 26 -4.867 12.721 -1.274 206 1HB GLU 26 HB2 GLU 26 -3.911 14.339 -2.943 207 2HB GLU 26 HB1 GLU 26 -4.830 15.081 -1.639 208 1HG GLU 26 HG2 GLU 26 -2.899 15.881 -0.583 209 2HG GLU 26 HG1 GLU 26 -1.846 14.833 -1.532 210 H GLU 27 HN GLU 27 -1.479 13.201 -0.445 211 HA GLU 27 HA GLU 27 -0.453 11.677 -2.630 212 1HB GLU 27 HB2 GLU 27 0.655 13.424 -0.882 213 2HB GLU 27 HB1 GLU 27 1.178 11.901 -0.174 214 1HG GLU 27 HG2 GLU 27 2.919 12.377 -1.583 215 2HG GLU 27 HG1 GLU 27 1.922 11.337 -2.600 216 H ALA 28 HN ALA 28 -1.221 10.979 0.745 217 HA ALA 28 HA ALA 28 -0.123 8.416 0.912 218 1HB ALA 28 HB1 ALA 28 -1.164 8.253 2.932 219 2HB ALA 28 HB2 ALA 28 -2.667 8.963 2.341 220 3HB ALA 28 HB3 ALA 28 -1.282 9.997 2.694 221 H LEU 29 HN LEU 29 -3.197 9.523 -0.385 222 HA LEU 29 HA LEU 29 -4.473 7.032 -0.611 223 1HB LEU 29 HB2 LEU 29 -5.688 9.113 -0.854 224 2HB LEU 29 HB1 LEU 29 -4.756 9.530 -2.279 225 HG LEU 29 HG LEU 29 -5.749 7.565 -3.447 226 1HD1 LEU 29 HD11 LEU 29 -6.394 6.654 -0.990 227 2HD1 LEU 29 HD12 LEU 29 -7.172 6.119 -2.479 228 3HD1 LEU 29 HD13 LEU 29 -7.931 7.364 -1.485 229 1HD2 LEU 29 HD21 LEU 29 -8.124 8.584 -3.473 230 2HD2 LEU 29 HD22 LEU 29 -6.765 9.572 -4.010 231 3HD2 LEU 29 HD23 LEU 29 -7.437 9.802 -2.396 232 H ARG 30 HN ARG 30 -2.574 8.856 -3.009 233 HA ARG 30 HA ARG 30 -2.686 6.791 -4.968 234 1HB ARG 30 HB2 ARG 30 -1.142 9.338 -4.662 235 2HB ARG 30 HB1 ARG 30 -0.676 8.188 -5.907 236 1HG ARG 30 HG2 ARG 30 -2.128 9.332 -7.169 237 2HG ARG 30 HG1 ARG 30 -3.338 8.347 -6.346 238 1HD ARG 30 HD2 ARG 30 -4.196 10.115 -5.289 239 2HD ARG 30 HD1 ARG 30 -2.602 10.692 -4.804 240 HE ARG 30 HE ARG 30 -2.619 12.138 -6.580 241 1HH1 ARG 30 HH11 ARG 30 -5.142 9.769 -7.025 242 2HH1 ARG 30 HH12 ARG 30 -5.838 10.581 -8.386 243 1HH2 ARG 30 HH21 ARG 30 -3.533 13.208 -8.371 244 2HH2 ARG 30 HH22 ARG 30 -4.924 12.535 -9.150 245 H LEU 31 HN LEU 31 -0.482 7.610 -2.379 246 HA LEU 31 HA LEU 31 1.655 5.933 -3.231 247 1HB LEU 31 HB2 LEU 31 1.003 7.571 -0.886 248 2HB LEU 31 HB1 LEU 31 1.970 6.156 -0.517 249 HG LEU 31 HG LEU 31 3.383 8.104 -0.892 250 1HD1 LEU 31 HD11 LEU 31 3.781 6.389 -3.305 251 2HD1 LEU 31 HD12 LEU 31 3.956 5.702 -1.689 252 3HD1 LEU 31 HD13 LEU 31 4.976 7.052 -2.189 253 1HD2 LEU 31 HD21 LEU 31 2.160 8.146 -3.649 254 2HD2 LEU 31 HD22 LEU 31 3.519 9.135 -3.112 255 3HD2 LEU 31 HD23 LEU 31 1.928 9.355 -2.384 256 H TYR 32 HN TYR 32 -1.033 5.519 -0.960 257 HA TYR 32 HA TYR 32 -0.257 2.922 -0.106 258 1HB TYR 32 HB2 TYR 32 -2.641 4.663 0.214 259 2HB TYR 32 HB1 TYR 32 -2.886 2.936 0.448 260 HD1 TYR 32 HD1 TYR 32 -2.151 5.903 2.089 261 HD2 TYR 32 HD2 TYR 32 -0.962 1.819 1.973 262 HE1 TYR 32 HE1 TYR 32 -1.278 6.098 4.379 263 HE2 TYR 32 HE2 TYR 32 -0.086 2.003 4.264 264 HH TYR 32 HH TYR 32 -0.460 3.433 6.269 265 H GLN 33 HN GLN 33 -2.621 4.090 -2.484 266 HA GLN 33 HA GLN 33 -3.663 1.607 -3.234 267 1HB GLN 33 HB2 GLN 33 -3.465 4.278 -4.566 268 2HB GLN 33 HB1 GLN 33 -4.019 2.896 -5.500 269 1HG GLN 33 HG2 GLN 33 -5.450 2.840 -3.087 270 2HG GLN 33 HG1 GLN 33 -5.452 4.516 -3.631 271 1HE2 GLN 33 HE21 GLN 33 -6.470 5.053 -5.551 272 2HE2 GLN 33 HE22 GLN 33 -7.561 3.981 -6.352 273 H HIS 34 HN HIS 34 -0.742 3.272 -4.226 274 HA HIS 34 HA HIS 34 -0.167 1.585 -6.447 275 1HB HIS 34 HB2 HIS 34 1.178 3.765 -4.996 276 2HB HIS 34 HB1 HIS 34 2.268 2.587 -5.719 277 HD1 HIS 34 HD1 HIS 34 2.734 2.851 -8.152 278 HD2 HIS 34 HD2 HIS 34 -0.630 4.977 -6.954 279 HE1 HIS 34 HE1 HIS 34 2.046 4.207 -10.150 280 HE2 HIS 34 HE2 HIS 34 -0.040 5.420 -9.433 281 H ALA 35 HN ALA 35 0.704 1.556 -3.035 282 HA ALA 35 HA ALA 35 2.650 -0.484 -3.177 283 1HB ALA 35 HB1 ALA 35 1.085 -0.339 -0.695 284 2HB ALA 35 HB2 ALA 35 1.789 1.189 -1.226 285 3HB ALA 35 HB3 ALA 35 2.825 -0.212 -0.952 286 H VAL 36 HN VAL 36 -0.836 -0.543 -3.030 287 HA VAL 36 HA VAL 36 -1.067 -3.297 -2.300 288 HB VAL 36 HB VAL 36 -3.141 -1.612 -3.702 289 1HG1 VAL 36 HG11 VAL 36 -3.198 -4.182 -2.169 290 2HG1 VAL 36 HG12 VAL 36 -3.906 -3.803 -3.739 291 3HG1 VAL 36 HG13 VAL 36 -4.631 -3.160 -2.266 292 1HG2 VAL 36 HG21 VAL 36 -3.891 -1.532 -1.123 293 2HG2 VAL 36 HG22 VAL 36 -2.907 -0.285 -1.887 294 3HG2 VAL 36 HG23 VAL 36 -2.139 -1.548 -0.927 295 H GLU 37 HN GLU 37 -0.772 -1.546 -5.308 296 HA GLU 37 HA GLU 37 -1.627 -3.649 -7.017 297 1HB GLU 37 HB2 GLU 37 -0.076 -1.112 -7.426 298 2HB GLU 37 HB1 GLU 37 -0.247 -2.272 -8.736 299 1HG GLU 37 HG2 GLU 37 -2.753 -1.575 -7.390 300 2HG GLU 37 HG1 GLU 37 -1.962 -0.238 -8.224 301 H TYR 38 HN TYR 38 1.511 -2.639 -5.759 302 HA TYR 38 HA TYR 38 3.068 -4.409 -7.328 303 1HB TYR 38 HB2 TYR 38 3.523 -2.750 -4.896 304 2HB TYR 38 HB1 TYR 38 4.677 -4.035 -5.237 305 HD1 TYR 38 HD1 TYR 38 3.282 -0.852 -6.428 306 HD2 TYR 38 HD2 TYR 38 6.177 -3.891 -7.120 307 HE1 TYR 38 HE1 TYR 38 4.427 0.615 -8.033 308 HE2 TYR 38 HE2 TYR 38 7.332 -2.433 -8.728 309 HH TYR 38 HH TYR 38 6.775 -0.493 -10.180 310 H PHE 39 HN PHE 39 1.383 -4.743 -4.279 311 HA PHE 39 HA PHE 39 2.628 -7.168 -3.476 312 1HB PHE 39 HB2 PHE 39 0.281 -5.572 -2.610 313 2HB PHE 39 HB1 PHE 39 0.278 -7.278 -2.174 314 HD1 PHE 39 HD1 PHE 39 2.692 -8.081 -1.255 315 HD2 PHE 39 HD2 PHE 39 1.117 -4.133 -1.047 316 HE1 PHE 39 HE1 PHE 39 4.171 -7.596 0.651 317 HE2 PHE 39 HE2 PHE 39 2.593 -3.641 0.860 318 HZ PHE 39 HZ PHE 39 4.123 -5.374 1.711 319 H LEU 40 HN LEU 40 -0.390 -6.430 -5.184 320 HA LEU 40 HA LEU 40 -1.371 -9.044 -5.362 321 1HB LEU 40 HB2 LEU 40 -1.963 -6.463 -6.528 322 2HB LEU 40 HB1 LEU 40 -2.163 -7.743 -7.711 323 HG LEU 40 HG LEU 40 -4.264 -7.233 -6.560 324 1HD1 LEU 40 HD11 LEU 40 -3.309 -9.671 -7.169 325 2HD1 LEU 40 HD12 LEU 40 -4.930 -9.386 -6.536 326 3HD1 LEU 40 HD13 LEU 40 -3.635 -9.889 -5.450 327 1HD2 LEU 40 HD21 LEU 40 -3.368 -6.486 -4.430 328 2HD2 LEU 40 HD22 LEU 40 -2.798 -8.116 -4.077 329 3HD2 LEU 40 HD23 LEU 40 -4.528 -7.791 -4.187 330 H HIS 41 HN HIS 41 0.951 -7.302 -7.340 331 HA HIS 41 HA HIS 41 1.065 -9.260 -9.416 332 1HB HIS 41 HB2 HIS 41 1.719 -6.842 -9.665 333 2HB HIS 41 HB1 HIS 41 3.162 -7.197 -8.720 334 HD1 HIS 41 HD1 HIS 41 2.185 -6.825 -12.080 335 HD2 HIS 41 HD2 HIS 41 4.594 -9.553 -10.070 336 HE1 HIS 41 HE1 HIS 41 3.641 -7.862 -13.840 337 HE2 HIS 41 HE2 HIS 41 5.152 -9.445 -12.590 338 H ALA 42 HN ALA 42 2.717 -8.772 -6.379 339 HA ALA 42 HA ALA 42 4.853 -10.590 -6.896 340 1HB ALA 42 HB1 ALA 42 4.515 -8.670 -5.070 341 2HB ALA 42 HB2 ALA 42 5.645 -10.000 -4.858 342 3HB ALA 42 HB3 ALA 42 4.055 -10.060 -4.099 343 H ILE 43 HN ILE 43 1.625 -10.860 -5.582 344 HA ILE 43 HA ILE 43 1.991 -13.490 -4.494 345 HB ILE 43 HB ILE 43 -0.615 -12.140 -5.201 346 1HG1 ILE 43 HG12 ILE 43 0.343 -12.150 -2.402 347 2HG1 ILE 43 HG11 ILE 43 1.214 -11.080 -3.499 348 1HG2 ILE 43 HG21 ILE 43 -1.595 -13.620 -3.569 349 2HG2 ILE 43 HG22 ILE 43 -0.010 -14.290 -3.175 350 3HG2 ILE 43 HG23 ILE 43 -0.712 -14.570 -4.767 351 1HD1 ILE 43 HD11 ILE 43 -1.415 -10.800 -2.325 352 2HD1 ILE 43 HD12 ILE 43 -1.430 -10.580 -4.075 353 3HD1 ILE 43 HD13 ILE 43 -0.367 -9.594 -3.072 354 H LYS 44 HN LYS 44 0.407 -12.200 -7.408 355 HA LYS 44 HA LYS 44 -0.476 -14.640 -8.447 356 1HB LYS 44 HB2 LYS 44 -0.184 -11.900 -9.390 357 2HB LYS 44 HB1 LYS 44 0.119 -13.070 -10.660 358 1HG LYS 44 HG2 LYS 44 -2.071 -14.150 -10.020 359 2HG LYS 44 HG1 LYS 44 -2.370 -12.730 -9.024 360 1HD LYS 44 HD2 LYS 44 -2.835 -11.440 -10.800 361 2HD LYS 44 HD1 LYS 44 -1.527 -12.120 -11.760 362 1HE LYS 44 HE2 LYS 44 -2.907 -14.100 -12.210 363 2HE LYS 44 HE1 LYS 44 -4.213 -13.400 -11.250 364 1HZ LYS 44 HZ1 LYS 44 -4.005 -13.120 -13.890 365 2HZ LYS 44 HZ2 LYS 44 -3.185 -11.730 -13.390 366 3HZ LYS 44 HZ3 LYS 44 -4.779 -11.990 -12.900 367 H TYR 45 HN TYR 45 2.489 -12.820 -9.222 368 HA TYR 45 HA TYR 45 3.542 -14.920 -10.850 369 1HB TYR 45 HB2 TYR 45 4.652 -12.340 -9.776 370 2HB TYR 45 HB1 TYR 45 5.690 -13.490 -10.600 371 HD1 TYR 45 HD1 TYR 45 6.154 -12.800 -12.750 372 HD2 TYR 45 HD2 TYR 45 2.232 -12.200 -11.210 373 HE1 TYR 45 HE1 TYR 45 5.456 -11.870 -14.910 374 HE2 TYR 45 HE2 TYR 45 1.522 -11.260 -13.380 375 HH TYR 45 HH TYR 45 3.189 -11.640 -16.180 376 H GLU 46 HN GLU 46 4.783 -13.510 -7.815 377 HA GLU 46 HA GLU 46 6.183 -16.010 -7.270 378 1HB GLU 46 HB2 GLU 46 6.354 -13.230 -6.150 379 2HB GLU 46 HB1 GLU 46 7.056 -14.590 -5.281 380 1HG GLU 46 HG2 GLU 46 7.899 -14.750 -7.983 381 2HG GLU 46 HG1 GLU 46 8.147 -13.100 -7.430 382 H ALA 47 HN ALA 47 4.300 -17.260 -6.770 383 HA ALA 47 HA ALA 47 2.738 -16.490 -4.442 384 1HB ALA 47 HB1 ALA 47 1.629 -17.500 -6.395 385 2HB ALA 47 HB2 ALA 47 1.390 -18.450 -4.930 386 3HB ALA 47 HB3 ALA 47 2.555 -18.980 -6.145 387 H HIS 48 HN HIS 48 3.514 -16.890 -2.483 388 HA HIS 48 HA HIS 48 5.405 -19.070 -2.072 389 1HB HIS 48 HB2 HIS 48 4.875 -16.510 -0.815 390 2HB HIS 48 HB1 HIS 48 4.945 -17.800 0.382 391 HD1 HIS 48 HD1 HIS 48 7.219 -19.010 0.695 392 HD2 HIS 48 HD2 HIS 48 7.296 -15.900 -2.067 393 HE1 HIS 48 HE1 HIS 48 9.655 -18.550 0.263 394 HE2 HIS 48 HE2 HIS 48 9.678 -16.620 -1.353 395 H SER 49 HN SER 49 4.974 -19.780 0.520 396 HA SER 49 HA SER 49 2.927 -21.700 0.307 397 1HB SER 49 HB2 SER 49 4.696 -20.740 2.525 398 2HB SER 49 HB1 SER 49 3.336 -21.790 2.910 399 HG SER 49 HG SER 49 5.253 -22.970 2.473 400 H ASP 50 HN ASP 50 1.198 -21.930 2.065 401 HA ASP 50 HA ASP 50 -0.707 -19.920 1.752 402 1HB ASP 50 HB2 ASP 50 -0.456 -22.260 3.601 403 2HB ASP 50 HB1 ASP 50 -1.771 -21.120 3.821 404 H LYS 51 HN LYS 51 1.616 -20.500 4.335 405 HA LYS 51 HA LYS 51 0.636 -18.690 6.225 406 1HB LYS 51 HB2 LYS 51 2.568 -20.440 6.365 407 2HB LYS 51 HB1 LYS 51 3.580 -19.100 5.830 408 1HG LYS 51 HG2 LYS 51 3.748 -18.460 7.940 409 2HG LYS 51 HG1 LYS 51 2.026 -18.080 7.917 410 1HD LYS 51 HD2 LYS 51 2.930 -20.890 8.403 411 2HD LYS 51 HD1 LYS 51 2.966 -19.710 9.717 412 1HE LYS 51 HE2 LYS 51 0.711 -19.620 9.877 413 2HE LYS 51 HE1 LYS 51 0.474 -19.820 8.141 414 1HZ LYS 51 HZ1 LYS 51 1.521 -22.140 9.535 415 2HZ LYS 51 HZ2 LYS 51 0.350 -22.040 8.318 416 3HZ LYS 51 HZ3 LYS 51 -0.071 -21.710 9.923 417 H ALA 52 HN ALA 52 3.069 -18.190 3.676 418 HA ALA 52 HA ALA 52 3.364 -15.410 4.241 419 1HB ALA 52 HB1 ALA 52 5.265 -16.090 3.231 420 2HB ALA 52 HB2 ALA 52 4.393 -15.630 1.769 421 3HB ALA 52 HB3 ALA 52 4.444 -17.320 2.270 422 H LYS 53 HN LYS 53 1.465 -17.310 1.967 423 HA LYS 53 HA LYS 53 0.613 -15.190 0.318 424 1HB LYS 53 HB2 LYS 53 0.360 -17.840 0.163 425 2HB LYS 53 HB1 LYS 53 -1.231 -17.470 0.810 426 1HG LYS 53 HG2 LYS 53 -1.831 -16.220 -1.064 427 2HG LYS 53 HG1 LYS 53 -0.157 -16.040 -1.594 428 1HD LYS 53 HD2 LYS 53 -0.140 -18.040 -2.637 429 2HD LYS 53 HD1 LYS 53 -1.117 -18.810 -1.388 430 1HE LYS 53 HE2 LYS 53 -2.496 -16.800 -3.047 431 2HE LYS 53 HE1 LYS 53 -2.006 -18.280 -3.875 432 1HZ LYS 53 HZ1 LYS 53 -3.415 -18.460 -1.301 433 2HZ LYS 53 HZ2 LYS 53 -3.378 -19.570 -2.581 434 3HZ LYS 53 HZ3 LYS 53 -4.299 -18.150 -2.710 435 H GLU 54 HN GLU 54 -0.778 -16.610 3.248 436 HA GLU 54 HA GLU 54 -3.137 -15.040 3.241 437 1HB GLU 54 HB2 GLU 54 -2.268 -17.190 4.670 438 2HB GLU 54 HB1 GLU 54 -2.113 -15.910 5.863 439 1HG GLU 54 HG2 GLU 54 -4.281 -15.990 6.262 440 2HG GLU 54 HG1 GLU 54 -4.626 -15.620 4.573 441 H SER 55 HN SER 55 0.064 -14.590 4.631 442 HA SER 55 HA SER 55 -0.531 -12.370 6.256 443 1HB SER 55 HB2 SER 55 1.692 -13.910 5.817 444 2HB SER 55 HB1 SER 55 2.160 -12.390 5.069 445 HG SER 55 HG SER 55 1.234 -12.760 7.727 446 H ILE 56 HN ILE 56 0.488 -12.630 2.882 447 HA ILE 56 HA ILE 56 0.768 -9.828 2.468 448 HB ILE 56 HB ILE 56 0.255 -11.930 0.369 449 1HG1 ILE 56 HG12 ILE 56 3.006 -10.970 0.949 450 2HG1 ILE 56 HG11 ILE 56 2.296 -12.090 2.111 451 1HG2 ILE 56 HG21 ILE 56 1.975 -9.610 -0.179 452 2HG2 ILE 56 HG22 ILE 56 0.262 -9.256 0.053 453 3HG2 ILE 56 HG23 ILE 56 0.765 -10.390 -1.195 454 1HD1 ILE 56 HD11 ILE 56 1.731 -13.330 -0.231 455 2HD1 ILE 56 HD12 ILE 56 3.144 -13.660 0.772 456 3HD1 ILE 56 HD13 ILE 56 3.272 -12.560 -0.602 457 H ARG 57 HN ARG 57 -1.819 -12.150 1.774 458 HA ARG 57 HA ARG 57 -3.555 -10.400 0.450 459 1HB ARG 57 HB2 ARG 57 -3.607 -13.030 0.942 460 2HB ARG 57 HB1 ARG 57 -4.733 -12.510 2.185 461 1HG ARG 57 HG2 ARG 57 -6.184 -12.870 0.474 462 2HG ARG 57 HG1 ARG 57 -5.800 -11.180 0.177 463 1HD ARG 57 HD2 ARG 57 -4.175 -11.800 -1.499 464 2HD ARG 57 HD1 ARG 57 -4.415 -13.510 -1.145 465 HE ARG 57 HE ARG 57 -6.301 -13.470 -2.443 466 1HH1 ARG 57 HH11 ARG 57 -5.385 -10.190 -1.706 467 2HH1 ARG 57 HH12 ARG 57 -6.545 -9.494 -2.786 468 1HH2 ARG 57 HH21 ARG 57 -7.825 -12.560 -3.865 469 2HH2 ARG 57 HH22 ARG 57 -7.931 -10.840 -4.012 470 H ALA 58 HN ALA 58 -3.424 -11.310 3.889 471 HA ALA 58 HA ALA 58 -5.565 -9.701 4.729 472 1HB ALA 58 HB1 ALA 58 -4.530 -9.928 6.998 473 2HB ALA 58 HB2 ALA 58 -3.182 -10.760 6.229 474 3HB ALA 58 HB3 ALA 58 -4.805 -11.450 6.154 475 H LYS 59 HN LYS 59 -2.210 -8.983 4.108 476 HA LYS 59 HA LYS 59 -2.099 -6.517 5.511 477 1HB LYS 59 HB2 LYS 59 -0.430 -7.811 3.383 478 2HB LYS 59 HB1 LYS 59 -0.145 -6.132 3.818 479 1HG LYS 59 HG2 LYS 59 -0.315 -8.015 6.072 480 2HG LYS 59 HG1 LYS 59 1.069 -8.223 4.997 481 1HD LYS 59 HD2 LYS 59 1.897 -6.096 5.449 482 2HD LYS 59 HD1 LYS 59 0.339 -5.507 6.031 483 1HE LYS 59 HE2 LYS 59 0.813 -6.106 8.122 484 2HE LYS 59 HE1 LYS 59 1.265 -7.734 7.618 485 1HZ LYS 59 HZ1 LYS 59 3.467 -6.937 7.082 486 2HZ LYS 59 HZ2 LYS 59 3.098 -6.557 8.689 487 3HZ LYS 59 HZ3 LYS 59 3.040 -5.355 7.501 488 H CYS 60 HN CYS 60 -2.915 -7.399 2.194 489 HA CYS 60 HA CYS 60 -3.047 -4.770 1.166 490 1HB CYS 60 HB2 CYS 60 -4.344 -7.348 0.273 491 2HB CYS 60 HB1 CYS 60 -4.471 -5.841 -0.629 492 HG CYS 60 HG CYS 60 -2.036 -6.005 -1.281 493 H VAL 61 HN VAL 61 -5.359 -6.797 2.852 494 HA VAL 61 HA VAL 61 -7.680 -5.298 2.294 495 HB VAL 61 HB VAL 61 -7.162 -6.897 4.801 496 1HG1 VAL 61 HG11 VAL 61 -9.166 -5.564 4.927 497 2HG1 VAL 61 HG12 VAL 61 -9.611 -7.257 4.709 498 3HG1 VAL 61 HG13 VAL 61 -9.692 -6.141 3.345 499 1HG2 VAL 61 HG21 VAL 61 -7.701 -7.751 2.003 500 2HG2 VAL 61 HG22 VAL 61 -8.460 -8.652 3.316 501 3HG2 VAL 61 HG23 VAL 61 -6.704 -8.509 3.245 502 H GLN 62 HN GLN 62 -5.243 -5.045 4.831 503 HA GLN 62 HA GLN 62 -6.643 -3.030 6.303 504 1HB GLN 62 HB2 GLN 62 -4.751 -4.697 7.055 505 2HB GLN 62 HB1 GLN 62 -3.683 -3.408 6.514 506 1HG GLN 62 HG2 GLN 62 -3.967 -2.352 8.430 507 2HG GLN 62 HG1 GLN 62 -5.701 -2.243 8.127 508 1HE2 GLN 62 HE21 GLN 62 -7.054 -3.410 9.342 509 2HE2 GLN 62 HE22 GLN 62 -6.570 -4.572 10.526 510 H TYR 63 HN TYR 63 -4.144 -3.047 3.827 511 HA TYR 63 HA TYR 63 -3.527 -0.275 4.014 512 1HB TYR 63 HB2 TYR 63 -3.006 -2.390 1.940 513 2HB TYR 63 HB1 TYR 63 -2.566 -0.709 1.659 514 HD1 TYR 63 HD1 TYR 63 -1.247 -3.720 2.587 515 HD2 TYR 63 HD2 TYR 63 -1.340 0.321 3.914 516 HE1 TYR 63 HE1 TYR 63 0.861 -4.077 3.801 517 HE2 TYR 63 HE2 TYR 63 0.769 -0.025 5.131 518 HH TYR 63 HH TYR 63 2.113 -3.133 5.636 519 H LEU 64 HN LEU 64 -5.813 -2.159 2.122 520 HA LEU 64 HA LEU 64 -6.572 -0.037 0.382 521 1HB LEU 64 HB2 LEU 64 -7.622 -2.746 1.035 522 2HB LEU 64 HB1 LEU 64 -8.694 -1.623 0.220 523 HG LEU 64 HG LEU 64 -5.985 -1.994 -0.942 524 1HD1 LEU 64 HD11 LEU 64 -8.182 -4.023 -1.317 525 2HD1 LEU 64 HD12 LEU 64 -6.728 -4.284 -0.354 526 3HD1 LEU 64 HD13 LEU 64 -6.598 -4.012 -2.093 527 1HD2 LEU 64 HD21 LEU 64 -7.511 -0.424 -1.956 528 2HD2 LEU 64 HD22 LEU 64 -8.763 -1.662 -2.067 529 3HD2 LEU 64 HD23 LEU 64 -7.294 -1.806 -3.031 530 H ASP 65 HN ASP 65 -7.740 -1.216 3.482 531 HA ASP 65 HA ASP 65 -10.120 0.318 3.536 532 1HB ASP 65 HB2 ASP 65 -8.660 -1.433 5.352 533 2HB ASP 65 HB1 ASP 65 -9.417 -0.080 6.189 534 H ARG 66 HN ARG 66 -6.805 1.008 4.340 535 HA ARG 66 HA ARG 66 -7.385 3.393 5.829 536 1HB ARG 66 HB2 ARG 66 -4.948 1.974 4.905 537 2HB ARG 66 HB1 ARG 66 -4.792 3.701 5.196 538 1HG ARG 66 HG2 ARG 66 -6.037 1.933 7.258 539 2HG ARG 66 HG1 ARG 66 -4.282 2.036 7.104 540 1HD ARG 66 HD2 ARG 66 -5.797 4.584 7.187 541 2HD ARG 66 HD1 ARG 66 -5.688 3.660 8.685 542 HE ARG 66 HE ARG 66 -3.596 5.140 7.422 543 1HH1 ARG 66 HH11 ARG 66 -4.262 2.376 9.446 544 2HH1 ARG 66 HH12 ARG 66 -2.700 2.389 10.193 545 1HH2 ARG 66 HH21 ARG 66 -1.542 5.160 8.404 546 2HH2 ARG 66 HH22 ARG 66 -1.155 3.971 9.603 547 H ALA 67 HN ALA 67 -6.410 2.637 2.521 548 HA ALA 67 HA ALA 67 -5.891 5.235 1.631 549 1HB ALA 67 HB1 ALA 67 -5.189 3.757 0.067 550 2HB ALA 67 HB2 ALA 67 -6.775 4.100 -0.625 551 3HB ALA 67 HB3 ALA 67 -6.534 2.650 0.350 552 H GLU 68 HN GLU 68 -8.919 3.422 1.809 553 HA GLU 68 HA GLU 68 -10.480 5.360 0.446 554 1HB GLU 68 HB2 GLU 68 -12.410 4.117 1.380 555 2HB GLU 68 HB1 GLU 68 -11.250 3.072 0.586 556 1HG GLU 68 HG2 GLU 68 -10.560 2.104 2.548 557 2HG GLU 68 HG1 GLU 68 -11.040 3.494 3.523 558 H LYS 69 HN LYS 69 -9.557 4.894 3.787 559 HA LYS 69 HA LYS 69 -11.440 6.762 4.861 560 1HB LYS 69 HB2 LYS 69 -10.080 4.808 6.014 561 2HB LYS 69 HB1 LYS 69 -8.904 6.080 6.282 562 1HG LYS 69 HG2 LYS 69 -11.380 7.151 7.038 563 2HG LYS 69 HG1 LYS 69 -11.320 5.520 7.709 564 1HD LYS 69 HD2 LYS 69 -10.290 6.703 9.388 565 2HD LYS 69 HD1 LYS 69 -8.897 6.259 8.412 566 1HE LYS 69 HE2 LYS 69 -9.111 8.464 7.251 567 2HE LYS 69 HE1 LYS 69 -10.350 8.893 8.421 568 1HZ LYS 69 HZ1 LYS 69 -8.081 9.703 8.964 569 2HZ LYS 69 HZ2 LYS 69 -7.609 8.095 9.191 570 3HZ LYS 69 HZ3 LYS 69 -8.799 8.776 10.183 571 H LEU 70 HN LEU 70 -8.207 6.950 3.573 572 HA LEU 70 HA LEU 70 -7.564 9.507 4.645 573 1HB LEU 70 HB2 LEU 70 -6.451 8.010 2.273 574 2HB LEU 70 HB1 LEU 70 -5.775 9.499 2.905 575 HG LEU 70 HG LEU 70 -6.077 7.113 4.693 576 1HD1 LEU 70 HD11 LEU 70 -4.808 5.987 3.198 577 2HD1 LEU 70 HD12 LEU 70 -3.514 6.895 3.978 578 3HD1 LEU 70 HD13 LEU 70 -4.186 7.458 2.448 579 1HD2 LEU 70 HD21 LEU 70 -3.854 9.106 4.711 580 2HD2 LEU 70 HD22 LEU 70 -4.540 8.176 6.042 581 3HD2 LEU 70 HD23 LEU 70 -5.428 9.545 5.374 582 H LYS 71 HN LYS 71 -8.781 8.421 1.489 583 HA LYS 71 HA LYS 71 -8.903 11.017 0.353 584 1HB LYS 71 HB2 LYS 71 -10.320 9.936 -1.376 585 2HB LYS 71 HB1 LYS 71 -8.815 9.089 -1.088 586 1HG LYS 71 HG2 LYS 71 -9.839 7.245 -0.307 587 2HG LYS 71 HG1 LYS 71 -11.100 8.164 0.511 588 1HD LYS 71 HD2 LYS 71 -12.380 7.277 -1.135 589 2HD LYS 71 HD1 LYS 71 -11.770 8.670 -2.032 590 1HE LYS 71 HE2 LYS 71 -11.130 7.152 -3.553 591 2HE LYS 71 HE1 LYS 71 -9.798 6.844 -2.446 592 1HZ LYS 71 HZ1 LYS 71 -12.350 5.393 -2.183 593 2HZ LYS 71 HZ2 LYS 71 -10.820 4.955 -1.607 594 3HZ LYS 71 HZ3 LYS 71 -11.160 4.867 -3.263 595 H ASP 72 HN ASP 72 -11.110 9.110 2.268 596 HA ASP 72 HA ASP 72 -13.430 10.687 1.745 597 1HB ASP 72 HB2 ASP 72 -12.760 8.360 3.318 598 2HB ASP 72 HB1 ASP 72 -13.740 9.471 4.261 599 H TYR 73 HN TYR 73 -10.780 10.896 4.007 600 HA TYR 73 HA TYR 73 -12.040 12.741 5.788 601 1HB TYR 73 HB2 TYR 73 -10.160 11.342 6.507 602 2HB TYR 73 HB1 TYR 73 -9.108 12.138 5.342 603 HD1 TYR 73 HD1 TYR 73 -8.481 14.522 5.677 604 HD2 TYR 73 HD2 TYR 73 -10.640 12.338 8.615 605 HE1 TYR 73 HE1 TYR 73 -7.897 16.218 7.358 606 HE2 TYR 73 HE2 TYR 73 -10.070 14.029 10.306 607 HH TYR 73 HH TYR 73 -7.672 16.280 9.911 608 H LEU 74 HN LEU 74 -9.652 13.100 3.176 609 HA LEU 74 HA LEU 74 -9.509 15.929 3.372 610 1HB LEU 74 HB2 LEU 74 -8.339 15.815 1.219 611 2HB LEU 74 HB1 LEU 74 -7.703 14.665 2.381 612 HG LEU 74 HG LEU 74 -9.470 13.078 1.109 613 1HD1 LEU 74 HD11 LEU 74 -8.393 14.740 -1.138 614 2HD1 LEU 74 HD12 LEU 74 -9.958 15.096 -0.406 615 3HD1 LEU 74 HD13 LEU 74 -9.674 13.528 -1.163 616 1HD2 LEU 74 HD21 LEU 74 -6.603 13.719 0.504 617 2HD2 LEU 74 HD22 LEU 74 -7.464 12.450 -0.367 618 3HD2 LEU 74 HD23 LEU 74 -7.273 12.343 1.382 619 H ARG 75 HN ARG 75 -11.370 13.721 1.339 620 HA ARG 75 HA ARG 75 -12.480 15.598 -0.409 621 1HB ARG 75 HB2 ARG 75 -13.260 12.879 0.529 622 2HB ARG 75 HB1 ARG 75 -14.450 13.826 -0.357 623 1HG ARG 75 HG2 ARG 75 -12.070 14.028 -1.816 624 2HG ARG 75 HG1 ARG 75 -12.210 12.335 -1.341 625 1HD ARG 75 HD2 ARG 75 -14.640 12.523 -2.162 626 2HD ARG 75 HD1 ARG 75 -14.110 14.003 -2.960 627 HE ARG 75 HE ARG 75 -12.380 11.847 -3.585 628 1HH1 ARG 75 HH11 ARG 75 -15.540 13.136 -4.311 629 2HH1 ARG 75 HH12 ARG 75 -15.600 12.431 -5.892 630 1HH2 ARG 75 HH21 ARG 75 -12.460 10.919 -5.663 631 2HH2 ARG 75 HH22 ARG 75 -13.850 11.172 -6.659 632 H SER 76 HN SER 76 -13.580 14.488 2.766 633 HA SER 76 HA SER 76 -16.010 15.943 2.759 634 1HB SER 76 HB2 SER 76 -14.400 14.466 4.773 635 2HB SER 76 HB1 SER 76 -15.540 15.661 5.391 636 HG SER 76 HG SER 76 -16.940 14.107 5.138 637 H LYS 77 HN LYS 77 -12.800 16.632 4.086 638 HA LYS 77 HA LYS 77 -13.550 19.171 5.160 639 1HB LYS 77 HB2 LYS 77 -11.570 17.603 5.808 640 2HB LYS 77 HB1 LYS 77 -10.720 18.439 4.514 641 1HG LYS 77 HG2 LYS 77 -12.080 20.218 6.392 642 2HG LYS 77 HG1 LYS 77 -10.810 19.241 7.113 643 1HD LYS 77 HD2 LYS 77 -9.167 20.159 5.746 644 2HD LYS 77 HD1 LYS 77 -10.330 20.709 4.545 645 1HE LYS 77 HE2 LYS 77 -10.730 21.882 7.191 646 2HE LYS 77 HE1 LYS 77 -9.170 22.269 6.478 647 1HZ LYS 77 HZ1 LYS 77 -11.830 22.743 5.255 648 2HZ LYS 77 HZ2 LYS 77 -10.350 23.017 4.474 649 3HZ LYS 77 HZ3 LYS 77 -10.760 23.919 5.845 Start of MODEL 14 1 1H MET 1 HT1 MET 1 21.920 -2.174 -9.806 2 2H MET 1 HT2 MET 1 21.672 -3.872 -9.826 3 3H MET 1 HT3 MET 1 22.870 -3.189 -8.803 4 HA MET 1 HA MET 1 21.079 -3.725 -7.458 5 1HB MET 1 HB2 MET 1 21.721 -0.928 -8.099 6 2HB MET 1 HB1 MET 1 20.208 -1.133 -7.226 7 1HG MET 1 HG2 MET 1 21.708 -0.868 -5.514 8 2HG MET 1 HG1 MET 1 21.622 -2.625 -5.645 9 1HE MET 1 HE1 MET 1 23.535 -3.808 -5.155 10 2HE MET 1 HE2 MET 1 24.134 -2.484 -4.156 11 3HE MET 1 HE3 MET 1 25.212 -3.282 -5.300 12 H THR 2 HN THR 2 19.084 -4.517 -7.503 13 HA THR 2 HA THR 2 17.060 -3.197 -9.172 14 HB THR 2 HB THR 2 17.771 -5.075 -10.480 15 HG1 THR 2 HG1 THR 2 15.509 -4.770 -10.340 16 1HG2 THR 2 HG21 THR 2 18.819 -6.387 -8.663 17 2HG2 THR 2 HG22 THR 2 17.800 -7.340 -9.742 18 3HG2 THR 2 HG23 THR 2 17.204 -6.875 -8.148 19 H THR 3 HN THR 3 15.181 -2.868 -8.158 20 HA THR 3 HA THR 3 14.899 -3.760 -5.423 21 HB THR 3 HB THR 3 12.770 -2.390 -5.536 22 HG1 THR 3 HG1 THR 3 12.197 -2.196 -7.580 23 1HG2 THR 3 HG21 THR 3 14.894 -1.417 -4.741 24 2HG2 THR 3 HG22 THR 3 13.839 -0.247 -5.536 25 3HG2 THR 3 HG23 THR 3 15.236 -0.899 -6.392 26 H SER 4 HN SER 4 13.323 -5.106 -4.607 27 HA SER 4 HA SER 4 12.174 -6.966 -6.526 28 1HB SER 4 HB2 SER 4 13.352 -7.402 -4.133 29 2HB SER 4 HB1 SER 4 11.664 -7.334 -3.629 30 HG SER 4 HG SER 4 11.857 -9.393 -4.199 31 H THR 5 HN THR 5 9.914 -7.860 -5.714 32 HA THR 5 HA THR 5 8.084 -5.667 -6.025 33 HB THR 5 HB THR 5 7.262 -8.489 -5.408 34 HG1 THR 5 HG1 THR 5 8.137 -9.164 -7.172 35 1HG2 THR 5 HG21 THR 5 5.406 -8.069 -6.803 36 2HG2 THR 5 HG22 THR 5 6.103 -6.561 -7.395 37 3HG2 THR 5 HG23 THR 5 5.553 -6.682 -5.723 38 H LEU 6 HN LEU 6 9.034 -7.851 -3.436 39 HA LEU 6 HA LEU 6 6.994 -7.003 -1.621 40 1HB LEU 6 HB2 LEU 6 9.370 -8.761 -1.523 41 2HB LEU 6 HB1 LEU 6 8.872 -8.058 0.004 42 HG LEU 6 HG LEU 6 7.922 -10.300 -0.363 43 1HD1 LEU 6 HD11 LEU 6 6.762 -8.535 0.983 44 2HD1 LEU 6 HD12 LEU 6 5.706 -9.787 0.329 45 3HD1 LEU 6 HD13 LEU 6 5.770 -8.199 -0.436 46 1HD2 LEU 6 HD21 LEU 6 6.397 -9.020 -2.626 47 2HD2 LEU 6 HD22 LEU 6 6.258 -10.680 -2.062 48 3HD2 LEU 6 HD23 LEU 6 7.749 -10.130 -2.825 49 H GLN 7 HN GLN 7 10.322 -6.068 -2.257 50 HA GLN 7 HA GLN 7 10.590 -4.390 0.031 51 1HB GLN 7 HB2 GLN 7 12.410 -5.443 -1.539 52 2HB GLN 7 HB1 GLN 7 12.184 -3.966 -2.467 53 1HG GLN 7 HG2 GLN 7 13.988 -3.537 -1.045 54 2HG GLN 7 HG1 GLN 7 12.615 -2.712 -0.311 55 1HE2 GLN 7 HE21 GLN 7 12.471 -2.945 1.791 56 2HE2 GLN 7 HE22 GLN 7 13.030 -4.295 2.713 57 H LYS 8 HN LYS 8 9.397 -3.948 -3.219 58 HA LYS 8 HA LYS 8 9.427 -1.101 -3.202 59 1HB LYS 8 HB2 LYS 8 8.084 -3.183 -4.895 60 2HB LYS 8 HB1 LYS 8 7.662 -1.486 -5.079 61 1HG LYS 8 HG2 LYS 8 10.540 -1.997 -5.085 62 2HG LYS 8 HG1 LYS 8 9.665 -2.773 -6.407 63 1HD LYS 8 HD2 LYS 8 8.594 -0.210 -6.276 64 2HD LYS 8 HD1 LYS 8 10.322 0.022 -6.007 65 1HE LYS 8 HE2 LYS 8 10.310 -1.763 -8.071 66 2HE LYS 8 HE1 LYS 8 8.878 -0.796 -8.423 67 1HZ LYS 8 HZ1 LYS 8 10.333 1.201 -8.152 68 2HZ LYS 8 HZ2 LYS 8 10.702 0.233 -9.489 69 3HZ LYS 8 HZ3 LYS 8 11.666 0.159 -8.102 70 H ALA 9 HN ALA 9 6.951 -3.535 -2.499 71 HA ALA 9 HA ALA 9 4.790 -1.802 -2.114 72 1HB ALA 9 HB1 ALA 9 5.119 -4.312 -0.512 73 2HB ALA 9 HB2 ALA 9 4.845 -4.375 -2.254 74 3HB ALA 9 HB3 ALA 9 3.653 -3.613 -1.201 75 H ILE 10 HN ILE 10 7.313 -2.876 0.108 76 HA ILE 10 HA ILE 10 6.167 -1.715 2.436 77 HB ILE 10 HB ILE 10 9.083 -2.331 1.953 78 1HG1 ILE 10 HG12 ILE 10 7.186 -4.184 3.350 79 2HG1 ILE 10 HG11 ILE 10 7.279 -4.201 1.592 80 1HG2 ILE 10 HG21 ILE 10 8.946 -1.061 3.908 81 2HG2 ILE 10 HG22 ILE 10 8.947 -2.729 4.483 82 3HG2 ILE 10 HG23 ILE 10 7.436 -1.824 4.406 83 1HD1 ILE 10 HD11 ILE 10 9.737 -4.467 3.276 84 2HD1 ILE 10 HD12 ILE 10 9.481 -4.947 1.599 85 3HD1 ILE 10 HD13 ILE 10 8.717 -5.856 2.904 86 H ASP 11 HN ASP 11 8.225 -0.515 -0.113 87 HA ASP 11 HA ASP 11 9.064 1.843 1.273 88 1HB ASP 11 HB2 ASP 11 9.389 0.703 -1.430 89 2HB ASP 11 HB1 ASP 11 9.416 2.462 -1.353 90 H LEU 12 HN LEU 12 6.357 0.970 -0.746 91 HA LEU 12 HA LEU 12 5.505 3.651 -1.266 92 1HB LEU 12 HB2 LEU 12 4.416 0.925 -1.720 93 2HB LEU 12 HB1 LEU 12 3.271 2.253 -1.705 94 HG LEU 12 HG LEU 12 3.999 1.714 -3.978 95 1HD1 LEU 12 HD11 LEU 12 4.041 3.873 -4.653 96 2HD1 LEU 12 HD12 LEU 12 5.317 4.319 -3.520 97 3HD1 LEU 12 HD13 LEU 12 3.654 4.158 -2.956 98 1HD2 LEU 12 HD21 LEU 12 6.716 2.232 -2.819 99 2HD2 LEU 12 HD22 LEU 12 6.401 2.419 -4.545 100 3HD2 LEU 12 HD23 LEU 12 6.158 0.854 -3.769 101 H VAL 13 HN VAL 13 4.890 1.275 1.222 102 HA VAL 13 HA VAL 13 2.656 2.684 2.357 103 HB VAL 13 HB VAL 13 4.330 0.521 3.638 104 1HG1 VAL 13 HG11 VAL 13 2.466 0.157 5.083 105 2HG1 VAL 13 HG12 VAL 13 1.468 1.295 4.176 106 3HG1 VAL 13 HG13 VAL 13 2.839 1.880 5.119 107 1HG2 VAL 13 HG21 VAL 13 3.057 -1.107 2.628 108 2HG2 VAL 13 HG22 VAL 13 3.178 0.079 1.329 109 3HG2 VAL 13 HG23 VAL 13 1.713 -0.011 2.307 110 H THR 14 HN THR 14 6.115 2.601 2.832 111 HA THR 14 HA THR 14 6.129 3.914 5.361 112 HB THR 14 HB THR 14 8.362 3.855 3.328 113 HG1 THR 14 HG1 THR 14 8.104 1.769 3.580 114 1HG2 THR 14 HG21 THR 14 8.339 4.123 6.319 115 2HG2 THR 14 HG22 THR 14 8.939 5.281 5.132 116 3HG2 THR 14 HG23 THR 14 9.782 3.752 5.376 117 H LYS 15 HN LYS 15 6.307 4.994 2.014 118 HA LYS 15 HA LYS 15 6.907 7.713 2.645 119 1HB LYS 15 HB2 LYS 15 6.653 6.120 0.294 120 2HB LYS 15 HB1 LYS 15 5.615 7.527 0.110 121 1HG LYS 15 HG2 LYS 15 7.410 8.654 -0.529 122 2HG LYS 15 HG1 LYS 15 7.988 8.544 1.134 123 1HD LYS 15 HD2 LYS 15 8.713 6.113 0.171 124 2HD LYS 15 HD1 LYS 15 8.870 7.109 -1.277 125 1HE LYS 15 HE2 LYS 15 10.052 8.692 0.585 126 2HE LYS 15 HE1 LYS 15 10.462 7.089 1.193 127 1HZ LYS 15 HZ1 LYS 15 10.934 7.952 -1.606 128 2HZ LYS 15 HZ2 LYS 15 11.501 6.545 -0.857 129 3HZ LYS 15 HZ3 LYS 15 12.103 8.054 -0.385 130 H ALA 16 HN ALA 16 3.975 5.853 2.257 131 HA ALA 16 HA ALA 16 2.215 8.091 2.050 132 1HB ALA 16 HB1 ALA 16 1.920 5.483 1.508 133 2HB ALA 16 HB2 ALA 16 0.562 6.569 1.799 134 3HB ALA 16 HB3 ALA 16 1.161 5.540 3.099 135 H THR 17 HN THR 17 3.133 5.914 4.704 136 HA THR 17 HA THR 17 1.477 7.014 6.672 137 HB THR 17 HB THR 17 2.576 4.886 7.012 138 HG1 THR 17 HG1 THR 17 2.134 6.007 8.905 139 1HG2 THR 17 HG21 THR 17 5.177 6.391 7.150 140 2HG2 THR 17 HG22 THR 17 4.679 5.318 5.842 141 3HG2 THR 17 HG23 THR 17 4.940 4.671 7.462 142 H GLU 18 HN GLU 18 4.820 7.806 5.780 143 HA GLU 18 HA GLU 18 5.191 9.785 7.766 144 1HB GLU 18 HB2 GLU 18 7.147 10.453 6.477 145 2HB GLU 18 HB1 GLU 18 7.058 8.701 6.588 146 1HG GLU 18 HG2 GLU 18 6.097 8.630 4.325 147 2HG GLU 18 HG1 GLU 18 6.271 10.381 4.218 148 H GLU 19 HN GLU 19 3.822 9.849 4.547 149 HA GLU 19 HA GLU 19 3.820 12.681 4.256 150 1HB GLU 19 HB2 GLU 19 2.911 10.376 2.745 151 2HB GLU 19 HB1 GLU 19 1.739 11.686 2.682 152 1HG GLU 19 HG2 GLU 19 3.045 12.195 0.883 153 2HG GLU 19 HG1 GLU 19 3.841 13.141 2.140 154 H ASP 20 HN ASP 20 1.474 10.327 5.449 155 HA ASP 20 HA ASP 20 -0.770 11.936 5.664 156 1HB ASP 20 HB2 ASP 20 -0.108 9.363 6.412 157 2HB ASP 20 HB1 ASP 20 -0.418 10.148 7.957 158 H LYS 21 HN LYS 21 1.994 11.652 7.832 159 HA LYS 21 HA LYS 21 0.878 13.334 9.862 160 1HB LYS 21 HB2 LYS 21 3.559 12.114 9.344 161 2HB LYS 21 HB1 LYS 21 3.420 13.403 10.531 162 1HG LYS 21 HG2 LYS 21 2.550 12.035 12.049 163 2HG LYS 21 HG1 LYS 21 1.378 11.386 10.901 164 1HD LYS 21 HD2 LYS 21 3.421 10.088 9.951 165 2HD LYS 21 HD1 LYS 21 4.152 10.443 11.517 166 1HE LYS 21 HE2 LYS 21 1.406 9.390 11.613 167 2HE LYS 21 HE1 LYS 21 2.622 8.270 11.001 168 1HZ LYS 21 HZ1 LYS 21 2.446 8.009 13.354 169 2HZ LYS 21 HZ2 LYS 21 2.644 9.667 13.620 170 3HZ LYS 21 HZ3 LYS 21 3.933 8.747 13.027 171 H ALA 22 HN ALA 22 2.602 13.866 6.916 172 HA ALA 22 HA ALA 22 3.275 16.611 7.661 173 1HB ALA 22 HB1 ALA 22 4.516 16.679 5.559 174 2HB ALA 22 HB2 ALA 22 3.930 15.066 5.156 175 3HB ALA 22 HB3 ALA 22 4.997 15.295 6.540 176 H LYS 23 HN LYS 23 0.483 15.654 7.192 177 HA LYS 23 HA LYS 23 -1.434 16.368 6.201 178 1HB LYS 23 HB2 LYS 23 0.354 18.760 5.841 179 2HB LYS 23 HB1 LYS 23 -1.307 18.765 5.268 180 1HG LYS 23 HG2 LYS 23 -1.014 17.874 8.035 181 2HG LYS 23 HG1 LYS 23 -0.488 19.534 7.751 182 1HD LYS 23 HD2 LYS 23 -2.590 20.250 7.548 183 2HD LYS 23 HD1 LYS 23 -2.985 18.967 6.401 184 1HE LYS 23 HE2 LYS 23 -3.624 17.491 8.092 185 2HE LYS 23 HE1 LYS 23 -2.779 18.407 9.338 186 1HZ LYS 23 HZ1 LYS 23 -4.446 19.962 9.452 187 2HZ LYS 23 HZ2 LYS 23 -5.342 18.562 9.139 188 3HZ LYS 23 HZ3 LYS 23 -5.014 19.652 7.889 189 H ASN 24 HN ASN 24 -0.119 14.597 4.648 190 HA ASN 24 HA ASN 24 -0.468 15.684 1.931 191 1HB ASN 24 HB2 ASN 24 1.565 13.722 2.974 192 2HB ASN 24 HB1 ASN 24 1.161 13.810 1.263 193 1HD2 ASN 24 HD21 ASN 24 1.737 15.627 0.082 194 2HD2 ASN 24 HD22 ASN 24 2.895 16.771 0.659 195 H TYR 25 HN TYR 25 -2.643 14.723 3.259 196 HA TYR 25 HA TYR 25 -3.216 12.019 3.113 197 1HB TYR 25 HB2 TYR 25 -4.971 14.451 2.823 198 2HB TYR 25 HB1 TYR 25 -5.632 12.819 2.784 199 HD1 TYR 25 HD1 TYR 25 -3.697 15.186 4.891 200 HD2 TYR 25 HD2 TYR 25 -6.063 11.651 4.778 201 HE1 TYR 25 HE1 TYR 25 -3.779 15.170 7.348 202 HE2 TYR 25 HE2 TYR 25 -6.152 11.626 7.236 203 HH TYR 25 HH TYR 25 -4.688 12.544 9.141 204 H GLU 26 HN GLU 26 -3.224 14.441 0.577 205 HA GLU 26 HA GLU 26 -4.569 12.902 -1.382 206 1HB GLU 26 HB2 GLU 26 -2.750 15.291 -1.498 207 2HB GLU 26 HB1 GLU 26 -3.312 14.514 -2.972 208 1HG GLU 26 HG2 GLU 26 -5.640 14.881 -2.229 209 2HG GLU 26 HG1 GLU 26 -5.020 15.755 -0.828 210 H GLU 27 HN GLU 27 -1.133 13.399 -0.663 211 HA GLU 27 HA GLU 27 -0.193 11.749 -2.781 212 1HB GLU 27 HB2 GLU 27 1.009 13.575 -1.254 213 2HB GLU 27 HB1 GLU 27 1.456 12.145 -0.334 214 1HG GLU 27 HG2 GLU 27 2.997 11.555 -1.816 215 2HG GLU 27 HG1 GLU 27 1.893 11.782 -3.172 216 H ALA 28 HN ALA 28 -0.876 11.207 0.639 217 HA ALA 28 HA ALA 28 0.206 8.642 0.887 218 1HB ALA 28 HB1 ALA 28 -0.461 9.908 2.827 219 2HB ALA 28 HB2 ALA 28 -1.346 8.383 2.797 220 3HB ALA 28 HB3 ALA 28 -2.147 9.877 2.312 221 H LEU 29 HN LEU 29 -2.827 9.738 -0.464 222 HA LEU 29 HA LEU 29 -4.163 7.254 -0.521 223 1HB LEU 29 HB2 LEU 29 -5.082 9.631 -0.921 224 2HB LEU 29 HB1 LEU 29 -4.547 9.410 -2.578 225 HG LEU 29 HG LEU 29 -5.978 7.170 -2.333 226 1HD1 LEU 29 HD11 LEU 29 -6.493 7.857 0.073 227 2HD1 LEU 29 HD12 LEU 29 -7.846 7.355 -0.941 228 3HD1 LEU 29 HD13 LEU 29 -7.562 9.067 -0.634 229 1HD2 LEU 29 HD21 LEU 29 -6.717 9.947 -3.110 230 2HD2 LEU 29 HD22 LEU 29 -7.975 8.711 -3.082 231 3HD2 LEU 29 HD23 LEU 29 -6.554 8.500 -4.105 232 H ARG 30 HN ARG 30 -2.160 8.918 -2.936 233 HA ARG 30 HA ARG 30 -2.391 6.832 -4.873 234 1HB ARG 30 HB2 ARG 30 -0.859 9.362 -4.610 235 2HB ARG 30 HB1 ARG 30 -0.204 8.149 -5.700 236 1HG ARG 30 HG2 ARG 30 -1.530 9.493 -7.061 237 2HG ARG 30 HG1 ARG 30 -2.537 8.079 -6.739 238 1HD ARG 30 HD2 ARG 30 -4.105 9.583 -6.183 239 2HD ARG 30 HD1 ARG 30 -3.212 9.710 -4.668 240 HE ARG 30 HE ARG 30 -2.062 11.488 -6.477 241 1HH1 ARG 30 HH11 ARG 30 -5.102 11.049 -4.820 242 2HH1 ARG 30 HH12 ARG 30 -5.470 12.740 -4.785 243 1HH2 ARG 30 HH21 ARG 30 -2.545 13.714 -6.432 244 2HH2 ARG 30 HH22 ARG 30 -4.020 14.253 -5.701 245 H LEU 31 HN LEU 31 -0.162 7.580 -2.283 246 HA LEU 31 HA LEU 31 1.884 5.772 -3.080 247 1HB LEU 31 HB2 LEU 31 1.282 7.446 -0.732 248 2HB LEU 31 HB1 LEU 31 2.232 6.012 -0.394 249 HG LEU 31 HG LEU 31 3.596 8.048 -0.805 250 1HD1 LEU 31 HD11 LEU 31 4.208 6.190 -3.042 251 2HD1 LEU 31 HD12 LEU 31 4.193 5.553 -1.398 252 3HD1 LEU 31 HD13 LEU 31 5.274 6.881 -1.819 253 1HD2 LEU 31 HD21 LEU 31 3.185 7.879 -3.713 254 2HD2 LEU 31 HD22 LEU 31 3.478 9.282 -2.685 255 3HD2 LEU 31 HD23 LEU 31 1.857 8.596 -2.800 256 H TYR 32 HN TYR 32 -0.805 5.557 -0.777 257 HA TYR 32 HA TYR 32 -0.200 2.935 0.111 258 1HB TYR 32 HB2 TYR 32 -2.389 4.869 0.450 259 2HB TYR 32 HB1 TYR 32 -2.896 3.186 0.537 260 HD1 TYR 32 HD1 TYR 32 -1.702 5.894 2.400 261 HD2 TYR 32 HD2 TYR 32 -1.339 1.668 2.070 262 HE1 TYR 32 HE1 TYR 32 -0.920 5.786 4.729 263 HE2 TYR 32 HE2 TYR 32 -0.555 1.547 4.398 264 HH TYR 32 HH TYR 32 0.504 3.008 6.062 265 H GLN 33 HN GLN 33 -2.347 4.204 -2.398 266 HA GLN 33 HA GLN 33 -3.567 1.771 -3.099 267 1HB GLN 33 HB2 GLN 33 -3.129 4.367 -4.540 268 2HB GLN 33 HB1 GLN 33 -3.844 2.996 -5.377 269 1HG GLN 33 HG2 GLN 33 -5.047 3.634 -2.776 270 2HG GLN 33 HG1 GLN 33 -5.242 4.866 -4.022 271 1HE2 GLN 33 HE21 GLN 33 -7.184 4.679 -4.870 272 2HE2 GLN 33 HE22 GLN 33 -7.950 3.205 -5.347 273 H HIS 34 HN HIS 34 -0.513 3.215 -4.017 274 HA HIS 34 HA HIS 34 0.016 1.454 -6.195 275 1HB HIS 34 HB2 HIS 34 1.497 3.534 -4.700 276 2HB HIS 34 HB1 HIS 34 2.485 2.293 -5.463 277 HD1 HIS 34 HD1 HIS 34 3.096 2.759 -7.811 278 HD2 HIS 34 HD2 HIS 34 -0.375 4.751 -6.694 279 HE1 HIS 34 HE1 HIS 34 2.461 4.166 -9.796 280 HE2 HIS 34 HE2 HIS 34 0.407 5.430 -9.064 281 H ALA 35 HN ALA 35 0.906 1.487 -2.772 282 HA ALA 35 HA ALA 35 2.669 -0.693 -2.810 283 1HB ALA 35 HB1 ALA 35 2.788 -0.400 -0.582 284 2HB ALA 35 HB2 ALA 35 1.036 -0.396 -0.384 285 3HB ALA 35 HB3 ALA 35 1.867 1.066 -0.917 286 H VAL 36 HN VAL 36 -0.831 -0.531 -2.632 287 HA VAL 36 HA VAL 36 -1.250 -3.247 -1.907 288 HB VAL 36 HB VAL 36 -3.165 -1.444 -3.390 289 1HG1 VAL 36 HG11 VAL 36 -4.780 -2.968 -3.012 290 2HG1 VAL 36 HG12 VAL 36 -4.129 -3.423 -1.437 291 3HG1 VAL 36 HG13 VAL 36 -3.421 -4.089 -2.910 292 1HG2 VAL 36 HG21 VAL 36 -3.652 -0.322 -1.504 293 2HG2 VAL 36 HG22 VAL 36 -2.050 -0.843 -0.984 294 3HG2 VAL 36 HG23 VAL 36 -3.477 -1.752 -0.488 295 H GLU 37 HN GLU 37 -0.864 -1.566 -4.960 296 HA GLU 37 HA GLU 37 -1.745 -3.699 -6.620 297 1HB GLU 37 HB2 GLU 37 -0.163 -1.191 -7.080 298 2HB GLU 37 HB1 GLU 37 -0.325 -2.385 -8.361 299 1HG GLU 37 HG2 GLU 37 -2.830 -1.588 -7.043 300 2HG GLU 37 HG1 GLU 37 -2.021 -0.331 -7.979 301 H TYR 38 HN TYR 38 1.345 -2.797 -5.228 302 HA TYR 38 HA TYR 38 2.904 -4.610 -6.787 303 1HB TYR 38 HB2 TYR 38 3.368 -2.853 -4.434 304 2HB TYR 38 HB1 TYR 38 4.482 -4.196 -4.663 305 HD1 TYR 38 HD1 TYR 38 3.095 -1.170 -6.291 306 HD2 TYR 38 HD2 TYR 38 6.183 -4.096 -6.296 307 HE1 TYR 38 HE1 TYR 38 4.339 0.155 -7.948 308 HE2 TYR 38 HE2 TYR 38 7.436 -2.779 -7.953 309 HH TYR 38 HH TYR 38 6.608 0.438 -8.750 310 H PHE 39 HN PHE 39 1.141 -4.819 -3.782 311 HA PHE 39 HA PHE 39 2.337 -7.245 -2.880 312 1HB PHE 39 HB2 PHE 39 -0.037 -5.613 -2.098 313 2HB PHE 39 HB1 PHE 39 0.052 -7.278 -1.532 314 HD1 PHE 39 HD1 PHE 39 2.547 -7.878 -0.631 315 HD2 PHE 39 HD2 PHE 39 0.722 -4.033 -0.635 316 HE1 PHE 39 HE1 PHE 39 4.028 -7.177 1.204 317 HE2 PHE 39 HE2 PHE 39 2.202 -3.324 1.199 318 HZ PHE 39 HZ PHE 39 3.858 -4.897 2.121 319 H LEU 40 HN LEU 40 -0.644 -6.466 -4.633 320 HA LEU 40 HA LEU 40 -1.649 -9.099 -4.747 321 1HB LEU 40 HB2 LEU 40 -2.184 -6.546 -6.164 322 2HB LEU 40 HB1 LEU 40 -2.745 -8.017 -6.935 323 HG LEU 40 HG LEU 40 -3.432 -7.594 -4.067 324 1HD1 LEU 40 HD11 LEU 40 -5.496 -6.378 -4.849 325 2HD1 LEU 40 HD12 LEU 40 -4.659 -6.112 -6.378 326 3HD1 LEU 40 HD13 LEU 40 -3.997 -5.449 -4.883 327 1HD2 LEU 40 HD21 LEU 40 -5.295 -8.922 -4.579 328 2HD2 LEU 40 HD22 LEU 40 -3.963 -9.654 -5.474 329 3HD2 LEU 40 HD23 LEU 40 -5.134 -8.634 -6.311 330 H HIS 41 HN HIS 41 0.316 -7.220 -7.030 331 HA HIS 41 HA HIS 41 0.439 -9.178 -9.046 332 1HB HIS 41 HB2 HIS 41 1.078 -6.710 -9.204 333 2HB HIS 41 HB1 HIS 41 2.614 -7.167 -8.476 334 HD1 HIS 41 HD1 HIS 41 1.291 -6.500 -11.640 335 HD2 HIS 41 HD2 HIS 41 3.715 -9.525 -10.150 336 HE1 HIS 41 HE1 HIS 41 2.455 -7.480 -13.640 337 HE2 HIS 41 HE2 HIS 41 3.980 -9.253 -12.700 338 H ALA 42 HN ALA 42 2.261 -8.717 -6.103 339 HA ALA 42 HA ALA 42 4.426 -10.430 -6.729 340 1HB ALA 42 HB1 ALA 42 4.301 -8.697 -4.876 341 2HB ALA 42 HB2 ALA 42 5.060 -10.230 -4.474 342 3HB ALA 42 HB3 ALA 42 3.409 -9.904 -3.953 343 H ILE 43 HN ILE 43 1.263 -10.960 -5.276 344 HA ILE 43 HA ILE 43 1.767 -13.660 -4.507 345 HB ILE 43 HB ILE 43 -0.919 -12.360 -4.976 346 1HG1 ILE 43 HG12 ILE 43 0.376 -12.580 -2.281 347 2HG1 ILE 43 HG11 ILE 43 0.802 -11.240 -3.339 348 1HG2 ILE 43 HG21 ILE 43 -1.734 -14.030 -3.397 349 2HG2 ILE 43 HG22 ILE 43 -0.107 -14.690 -3.236 350 3HG2 ILE 43 HG23 ILE 43 -0.957 -14.800 -4.779 351 1HD1 ILE 43 HD11 ILE 43 -2.021 -11.450 -3.293 352 2HD1 ILE 43 HD12 ILE 43 -0.997 -10.150 -2.673 353 3HD1 ILE 43 HD13 ILE 43 -1.434 -11.510 -1.631 354 H LYS 44 HN LYS 44 0.127 -12.130 -7.257 355 HA LYS 44 HA LYS 44 -0.790 -14.470 -8.498 356 1HB LYS 44 HB2 LYS 44 -1.136 -11.870 -9.010 357 2HB LYS 44 HB1 LYS 44 0.123 -12.200 -10.190 358 1HG LYS 44 HG2 LYS 44 -2.173 -14.070 -10.100 359 2HG LYS 44 HG1 LYS 44 -2.458 -12.450 -10.740 360 1HD LYS 44 HD2 LYS 44 -0.939 -12.740 -12.490 361 2HD LYS 44 HD1 LYS 44 -0.136 -14.090 -11.690 362 1HE LYS 44 HE2 LYS 44 -2.592 -15.130 -11.920 363 2HE LYS 44 HE1 LYS 44 -2.612 -14.040 -13.310 364 1HZ LYS 44 HZ1 LYS 44 -1.668 -15.800 -14.310 365 2HZ LYS 44 HZ2 LYS 44 -1.074 -16.460 -12.870 366 3HZ LYS 44 HZ3 LYS 44 -0.243 -15.200 -13.620 367 H TYR 45 HN TYR 45 2.187 -12.610 -9.119 368 HA TYR 45 HA TYR 45 3.210 -14.620 -10.900 369 1HB TYR 45 HB2 TYR 45 4.274 -12.040 -9.801 370 2HB TYR 45 HB1 TYR 45 5.338 -13.150 -10.650 371 HD1 TYR 45 HD1 TYR 45 1.856 -11.880 -11.190 372 HD2 TYR 45 HD2 TYR 45 5.740 -12.490 -12.820 373 HE1 TYR 45 HE1 TYR 45 1.097 -10.950 -13.330 374 HE2 TYR 45 HE2 TYR 45 4.993 -11.550 -14.960 375 HH TYR 45 HH TYR 45 2.486 -11.370 -16.120 376 H GLU 46 HN GLU 46 4.520 -13.270 -7.870 377 HA GLU 46 HA GLU 46 6.051 -15.700 -7.449 378 1HB GLU 46 HB2 GLU 46 6.022 -12.970 -6.218 379 2HB GLU 46 HB1 GLU 46 6.734 -14.310 -5.323 380 1HG GLU 46 HG2 GLU 46 7.578 -13.930 -8.139 381 2HG GLU 46 HG1 GLU 46 8.153 -12.770 -6.937 382 H ALA 47 HN ALA 47 4.359 -17.170 -7.010 383 HA ALA 47 HA ALA 47 2.690 -16.680 -4.673 384 1HB ALA 47 HB1 ALA 47 1.894 -17.740 -6.875 385 2HB ALA 47 HB2 ALA 47 1.373 -18.480 -5.360 386 3HB ALA 47 HB3 ALA 47 2.682 -19.200 -6.292 387 H HIS 48 HN HIS 48 3.346 -17.240 -2.714 388 HA HIS 48 HA HIS 48 5.360 -19.360 -2.443 389 1HB HIS 48 HB2 HIS 48 5.063 -16.770 -1.233 390 2HB HIS 48 HB1 HIS 48 5.073 -18.010 0.016 391 HD1 HIS 48 HD1 HIS 48 7.280 -16.060 -2.107 392 HD2 HIS 48 HD2 HIS 48 7.457 -19.720 -0.147 393 HE1 HIS 48 HE1 HIS 48 9.722 -16.650 -2.011 394 HE2 HIS 48 HE2 HIS 48 9.812 -18.830 -0.738 395 H SER 49 HN SER 49 5.078 -19.990 0.206 396 HA SER 49 HA SER 49 2.969 -21.850 0.166 397 1HB SER 49 HB2 SER 49 5.220 -21.590 1.646 398 2HB SER 49 HB1 SER 49 4.018 -21.050 2.816 399 HG SER 49 HG SER 49 4.599 -23.530 2.114 400 H ASP 50 HN ASP 50 1.429 -21.960 2.176 401 HA ASP 50 HA ASP 50 -0.501 -19.970 1.866 402 1HB ASP 50 HB2 ASP 50 -0.093 -22.250 3.711 403 2HB ASP 50 HB1 ASP 50 -1.227 -21.010 4.233 404 H LYS 51 HN LYS 51 2.120 -20.300 4.172 405 HA LYS 51 HA LYS 51 1.316 -18.370 6.038 406 1HB LYS 51 HB2 LYS 51 3.728 -19.860 5.418 407 2HB LYS 51 HB1 LYS 51 4.104 -18.220 5.935 408 1HG LYS 51 HG2 LYS 51 2.226 -19.000 7.770 409 2HG LYS 51 HG1 LYS 51 3.118 -20.500 7.469 410 1HD LYS 51 HD2 LYS 51 5.131 -18.660 7.680 411 2HD LYS 51 HD1 LYS 51 3.950 -18.050 8.840 412 1HE LYS 51 HE2 LYS 51 4.228 -19.790 10.241 413 2HE LYS 51 HE1 LYS 51 4.433 -20.950 8.926 414 1HZ LYS 51 HZ1 LYS 51 6.692 -20.160 8.623 415 2HZ LYS 51 HZ2 LYS 51 6.463 -20.690 10.212 416 3HZ LYS 51 HZ3 LYS 51 6.496 -19.040 9.876 417 H ALA 52 HN ALA 52 3.484 -18.030 3.231 418 HA ALA 52 HA ALA 52 3.714 -15.200 3.530 419 1HB ALA 52 HB1 ALA 52 5.205 -17.050 2.260 420 2HB ALA 52 HB2 ALA 52 5.280 -15.320 1.912 421 3HB ALA 52 HB3 ALA 52 4.305 -16.380 0.897 422 H LYS 53 HN LYS 53 1.639 -17.350 1.708 423 HA LYS 53 HA LYS 53 0.576 -15.380 -0.048 424 1HB LYS 53 HB2 LYS 53 0.511 -17.960 -0.251 425 2HB LYS 53 HB1 LYS 53 -0.898 -17.860 0.796 426 1HG LYS 53 HG2 LYS 53 -2.210 -16.960 -0.816 427 2HG LYS 53 HG1 LYS 53 -0.871 -16.100 -1.583 428 1HD LYS 53 HD2 LYS 53 -0.108 -18.080 -2.659 429 2HD LYS 53 HD1 LYS 53 -1.177 -19.100 -1.691 430 1HE LYS 53 HE2 LYS 53 -2.309 -16.960 -3.457 431 2HE LYS 53 HE1 LYS 53 -1.827 -18.520 -4.137 432 1HZ LYS 53 HZ1 LYS 53 -3.559 -18.490 -1.769 433 2HZ LYS 53 HZ2 LYS 53 -3.468 -19.620 -3.020 434 3HZ LYS 53 HZ3 LYS 53 -4.241 -18.140 -3.278 435 H GLU 54 HN GLU 54 -0.574 -16.790 3.003 436 HA GLU 54 HA GLU 54 -2.969 -15.270 3.099 437 1HB GLU 54 HB2 GLU 54 -2.218 -17.440 4.399 438 2HB GLU 54 HB1 GLU 54 -1.657 -16.270 5.589 439 1HG GLU 54 HG2 GLU 54 -4.332 -15.650 4.727 440 2HG GLU 54 HG1 GLU 54 -4.226 -17.310 5.310 441 H SER 55 HN SER 55 0.283 -14.780 4.356 442 HA SER 55 HA SER 55 -0.261 -12.590 6.035 443 1HB SER 55 HB2 SER 55 2.191 -12.060 5.699 444 2HB SER 55 HB1 SER 55 1.850 -13.700 6.244 445 HG SER 55 HG SER 55 2.779 -12.800 3.771 446 H ILE 56 HN ILE 56 0.767 -12.700 2.633 447 HA ILE 56 HA ILE 56 0.767 -9.875 2.303 448 HB ILE 56 HB ILE 56 0.519 -11.960 0.137 449 1HG1 ILE 56 HG12 ILE 56 3.123 -10.710 0.929 450 2HG1 ILE 56 HG11 ILE 56 2.503 -12.060 1.874 451 1HG2 ILE 56 HG21 ILE 56 1.876 -10.070 -1.055 452 2HG2 ILE 56 HG22 ILE 56 1.148 -9.048 0.183 453 3HG2 ILE 56 HG23 ILE 56 0.121 -9.963 -0.922 454 1HD1 ILE 56 HD11 ILE 56 2.292 -13.280 -0.366 455 2HD1 ILE 56 HD12 ILE 56 3.905 -13.050 0.310 456 3HD1 ILE 56 HD13 ILE 56 3.341 -12.010 -0.996 457 H ARG 57 HN ARG 57 -1.603 -12.410 1.713 458 HA ARG 57 HA ARG 57 -3.472 -10.890 0.274 459 1HB ARG 57 HB2 ARG 57 -3.365 -13.450 0.739 460 2HB ARG 57 HB1 ARG 57 -4.299 -13.060 2.176 461 1HG ARG 57 HG2 ARG 57 -6.000 -13.510 0.747 462 2HG ARG 57 HG1 ARG 57 -5.800 -11.790 0.408 463 1HD ARG 57 HD2 ARG 57 -4.373 -12.340 -1.506 464 2HD ARG 57 HD1 ARG 57 -4.584 -14.050 -1.167 465 HE ARG 57 HE ARG 57 -6.656 -13.960 -2.139 466 1HH1 ARG 57 HH11 ARG 57 -5.541 -10.710 -1.533 467 2HH1 ARG 57 HH12 ARG 57 -6.830 -9.975 -2.418 468 1HH2 ARG 57 HH21 ARG 57 -8.354 -12.990 -3.304 469 2HH2 ARG 57 HH22 ARG 57 -8.428 -11.260 -3.423 470 H ALA 58 HN ALA 58 -3.029 -11.370 3.747 471 HA ALA 58 HA ALA 58 -5.359 -9.851 4.451 472 1HB ALA 58 HB1 ALA 58 -4.573 -10.100 6.751 473 2HB ALA 58 HB2 ALA 58 -3.053 -10.770 6.159 474 3HB ALA 58 HB3 ALA 58 -4.563 -11.640 5.893 475 H LYS 59 HN LYS 59 -1.989 -9.182 3.906 476 HA LYS 59 HA LYS 59 -1.852 -6.715 5.292 477 1HB LYS 59 HB2 LYS 59 -0.101 -8.345 3.765 478 2HB LYS 59 HB1 LYS 59 -0.059 -6.735 3.059 479 1HG LYS 59 HG2 LYS 59 1.477 -6.303 4.615 480 2HG LYS 59 HG1 LYS 59 0.110 -6.179 5.723 481 1HD LYS 59 HD2 LYS 59 0.419 -8.758 5.950 482 2HD LYS 59 HD1 LYS 59 2.039 -8.431 5.331 483 1HE LYS 59 HE2 LYS 59 2.437 -6.867 7.150 484 2HE LYS 59 HE1 LYS 59 0.800 -7.121 7.749 485 1HZ LYS 59 HZ1 LYS 59 2.950 -9.165 7.612 486 2HZ LYS 59 HZ2 LYS 59 1.366 -9.457 8.127 487 3HZ LYS 59 HZ3 LYS 59 2.365 -8.421 9.015 488 H CYS 60 HN CYS 60 -2.306 -7.466 1.838 489 HA CYS 60 HA CYS 60 -2.558 -4.836 0.936 490 1HB CYS 60 HB2 CYS 60 -3.603 -5.777 -1.051 491 2HB CYS 60 HB1 CYS 60 -2.247 -6.781 -0.551 492 HG CYS 60 HG CYS 60 -5.227 -7.596 -0.339 493 H VAL 61 HN VAL 61 -4.964 -7.047 2.258 494 HA VAL 61 HA VAL 61 -7.256 -5.538 1.655 495 HB VAL 61 HB VAL 61 -6.871 -7.338 4.051 496 1HG1 VAL 61 HG11 VAL 61 -9.278 -6.238 2.636 497 2HG1 VAL 61 HG12 VAL 61 -8.887 -6.196 4.355 498 3HG1 VAL 61 HG13 VAL 61 -9.368 -7.714 3.598 499 1HG2 VAL 61 HG21 VAL 61 -7.049 -9.167 2.756 500 2HG2 VAL 61 HG22 VAL 61 -6.476 -8.100 1.473 501 3HG2 VAL 61 HG23 VAL 61 -8.203 -8.406 1.662 502 H GLN 62 HN GLN 62 -4.985 -5.386 4.340 503 HA GLN 62 HA GLN 62 -6.540 -3.566 5.899 504 1HB GLN 62 HB2 GLN 62 -4.503 -5.168 6.523 505 2HB GLN 62 HB1 GLN 62 -3.583 -3.701 6.220 506 1HG GLN 62 HG2 GLN 62 -4.048 -3.788 8.541 507 2HG GLN 62 HG1 GLN 62 -5.064 -2.526 7.845 508 1HE2 GLN 62 HE21 GLN 62 -6.854 -2.499 9.018 509 2HE2 GLN 62 HE22 GLN 62 -7.830 -3.871 9.401 510 H TYR 63 HN TYR 63 -3.985 -3.240 3.503 511 HA TYR 63 HA TYR 63 -3.548 -0.458 3.917 512 1HB TYR 63 HB2 TYR 63 -2.928 -2.234 1.548 513 2HB TYR 63 HB1 TYR 63 -2.374 -0.572 1.717 514 HD1 TYR 63 HD1 TYR 63 -1.476 -0.360 4.436 515 HD2 TYR 63 HD2 TYR 63 -1.119 -3.650 1.764 516 HE1 TYR 63 HE1 TYR 63 0.501 -1.142 5.673 517 HE2 TYR 63 HE2 TYR 63 0.858 -4.442 2.992 518 HH TYR 63 HH TYR 63 2.692 -2.856 4.747 519 H LEU 64 HN LEU 64 -5.665 -2.331 1.827 520 HA LEU 64 HA LEU 64 -6.503 -0.211 0.162 521 1HB LEU 64 HB2 LEU 64 -7.457 -2.945 0.791 522 2HB LEU 64 HB1 LEU 64 -8.633 -1.848 0.095 523 HG LEU 64 HG LEU 64 -5.969 -2.188 -1.226 524 1HD1 LEU 64 HD11 LEU 64 -6.933 -3.998 -2.589 525 2HD1 LEU 64 HD12 LEU 64 -8.333 -4.034 -1.518 526 3HD1 LEU 64 HD13 LEU 64 -6.737 -4.455 -0.897 527 1HD2 LEU 64 HD21 LEU 64 -7.368 -1.737 -3.235 528 2HD2 LEU 64 HD22 LEU 64 -7.358 -0.423 -2.060 529 3HD2 LEU 64 HD23 LEU 64 -8.749 -1.501 -2.164 530 H ASP 65 HN ASP 65 -7.772 -1.498 3.203 531 HA ASP 65 HA ASP 65 -10.090 0.116 3.276 532 1HB ASP 65 HB2 ASP 65 -9.233 -1.994 4.731 533 2HB ASP 65 HB1 ASP 65 -8.878 -0.684 5.854 534 H ARG 66 HN ARG 66 -6.781 0.641 4.250 535 HA ARG 66 HA ARG 66 -7.290 2.963 5.830 536 1HB ARG 66 HB2 ARG 66 -4.946 1.469 4.891 537 2HB ARG 66 HB1 ARG 66 -4.673 3.200 5.030 538 1HG ARG 66 HG2 ARG 66 -5.978 1.782 7.294 539 2HG ARG 66 HG1 ARG 66 -4.242 1.581 7.050 540 1HD ARG 66 HD2 ARG 66 -3.907 3.519 8.079 541 2HD ARG 66 HD1 ARG 66 -4.776 4.331 6.776 542 HE ARG 66 HE ARG 66 -6.586 4.559 8.166 543 1HH1 ARG 66 HH11 ARG 66 -4.355 2.269 9.567 544 2HH1 ARG 66 HH12 ARG 66 -5.195 2.188 11.080 545 1HH2 ARG 66 HH21 ARG 66 -7.691 4.452 10.154 546 2HH2 ARG 66 HH22 ARG 66 -7.089 3.427 11.413 547 H ALA 67 HN ALA 67 -6.611 2.368 2.445 548 HA ALA 67 HA ALA 67 -6.027 5.049 1.728 549 1HB ALA 67 HB1 ALA 67 -6.231 4.318 -0.547 550 2HB ALA 67 HB2 ALA 67 -7.123 2.879 -0.053 551 3HB ALA 67 HB3 ALA 67 -5.421 3.052 0.375 552 H GLU 68 HN GLU 68 -8.992 3.255 2.128 553 HA GLU 68 HA GLU 68 -10.660 5.076 0.718 554 1HB GLU 68 HB2 GLU 68 -11.000 2.657 2.336 555 2HB GLU 68 HB1 GLU 68 -12.320 3.806 2.520 556 1HG GLU 68 HG2 GLU 68 -11.510 3.359 -0.252 557 2HG GLU 68 HG1 GLU 68 -12.120 1.920 0.565 558 H LYS 69 HN LYS 69 -9.525 4.832 4.017 559 HA LYS 69 HA LYS 69 -11.350 6.744 5.095 560 1HB LYS 69 HB2 LYS 69 -9.781 4.891 6.229 561 2HB LYS 69 HB1 LYS 69 -8.739 6.293 6.423 562 1HG LYS 69 HG2 LYS 69 -11.500 6.788 7.198 563 2HG LYS 69 HG1 LYS 69 -10.720 5.523 8.143 564 1HD LYS 69 HD2 LYS 69 -9.034 7.868 7.720 565 2HD LYS 69 HD1 LYS 69 -10.520 8.227 8.597 566 1HE LYS 69 HE2 LYS 69 -10.010 6.471 10.207 567 2HE LYS 69 HE1 LYS 69 -8.543 6.068 9.317 568 1HZ LYS 69 HZ1 LYS 69 -8.046 8.591 9.726 569 2HZ LYS 69 HZ2 LYS 69 -7.704 7.437 10.913 570 3HZ LYS 69 HZ3 LYS 69 -9.104 8.378 11.029 571 H LEU 70 HN LEU 70 -8.215 6.896 3.583 572 HA LEU 70 HA LEU 70 -7.599 9.556 4.417 573 1HB LEU 70 HB2 LEU 70 -6.522 7.927 2.114 574 2HB LEU 70 HB1 LEU 70 -5.847 9.445 2.676 575 HG LEU 70 HG LEU 70 -6.037 6.967 4.385 576 1HD1 LEU 70 HD11 LEU 70 -4.474 7.121 2.202 577 2HD1 LEU 70 HD12 LEU 70 -4.023 6.253 3.669 578 3HD1 LEU 70 HD13 LEU 70 -3.421 7.887 3.390 579 1HD2 LEU 70 HD21 LEU 70 -5.929 9.118 5.585 580 2HD2 LEU 70 HD22 LEU 70 -4.438 9.502 4.723 581 3HD2 LEU 70 HD23 LEU 70 -4.487 8.132 5.833 582 H LYS 71 HN LYS 71 -9.175 8.129 1.614 583 HA LYS 71 HA LYS 71 -9.279 10.506 0.066 584 1HB LYS 71 HB2 LYS 71 -9.710 7.941 -0.527 585 2HB LYS 71 HB1 LYS 71 -11.370 8.423 -0.258 586 1HG LYS 71 HG2 LYS 71 -11.160 10.167 -1.942 587 2HG LYS 71 HG1 LYS 71 -9.474 9.716 -2.199 588 1HD LYS 71 HD2 LYS 71 -10.500 7.343 -2.639 589 2HD LYS 71 HD1 LYS 71 -11.970 8.265 -2.959 590 1HE LYS 71 HE2 LYS 71 -10.180 9.689 -4.391 591 2HE LYS 71 HE1 LYS 71 -9.467 8.082 -4.506 592 1HZ LYS 71 HZ1 LYS 71 -12.280 8.714 -5.184 593 2HZ LYS 71 HZ2 LYS 71 -11.500 7.234 -5.413 594 3HZ LYS 71 HZ3 LYS 71 -11.030 8.587 -6.316 595 H ASP 72 HN ASP 72 -11.520 8.975 2.326 596 HA ASP 72 HA ASP 72 -13.670 10.756 1.909 597 1HB ASP 72 HB2 ASP 72 -13.240 8.459 3.410 598 2HB ASP 72 HB1 ASP 72 -13.520 9.704 4.624 599 H TYR 73 HN TYR 73 -10.800 10.923 3.887 600 HA TYR 73 HA TYR 73 -11.680 13.082 5.534 601 1HB TYR 73 HB2 TYR 73 -9.890 11.560 6.239 602 2HB TYR 73 HB1 TYR 73 -8.881 12.129 4.914 603 HD1 TYR 73 HD1 TYR 73 -8.132 14.542 4.914 604 HD2 TYR 73 HD2 TYR 73 -9.965 12.717 8.291 605 HE1 TYR 73 HE1 TYR 73 -7.245 16.328 6.353 606 HE2 TYR 73 HE2 TYR 73 -9.084 14.498 9.740 607 HH TYR 73 HH TYR 73 -7.274 16.134 9.753 608 H LEU 74 HN LEU 74 -9.518 12.887 2.717 609 HA LEU 74 HA LEU 74 -9.110 15.696 2.553 610 1HB LEU 74 HB2 LEU 74 -8.141 15.208 0.343 611 2HB LEU 74 HB1 LEU 74 -7.493 14.180 1.606 612 HG LEU 74 HG LEU 74 -9.387 12.531 0.754 613 1HD1 LEU 74 HD11 LEU 74 -10.480 13.517 -0.959 614 2HD1 LEU 74 HD12 LEU 74 -9.125 12.878 -1.890 615 3HD1 LEU 74 HD13 LEU 74 -9.123 14.564 -1.371 616 1HD2 LEU 74 HD21 LEU 74 -7.552 11.882 -1.073 617 2HD2 LEU 74 HD22 LEU 74 -7.324 11.600 0.652 618 3HD2 LEU 74 HD23 LEU 74 -6.601 13.014 -0.112 619 H ARG 75 HN ARG 75 -11.470 13.493 1.224 620 HA ARG 75 HA ARG 75 -12.510 15.252 -0.750 621 1HB ARG 75 HB2 ARG 75 -13.410 12.706 0.521 622 2HB ARG 75 HB1 ARG 75 -14.580 13.653 -0.379 623 1HG ARG 75 HG2 ARG 75 -12.640 13.627 -2.190 624 2HG ARG 75 HG1 ARG 75 -12.230 12.137 -1.339 625 1HD ARG 75 HD2 ARG 75 -14.030 11.046 -2.134 626 2HD ARG 75 HD1 ARG 75 -15.080 12.443 -1.933 627 HE ARG 75 HE ARG 75 -13.250 12.756 -4.108 628 1HH1 ARG 75 HH11 ARG 75 -16.290 11.320 -3.165 629 2HH1 ARG 75 HH12 ARG 75 -16.930 11.303 -4.776 630 1HH2 ARG 75 HH21 ARG 75 -14.090 12.735 -6.228 631 2HH2 ARG 75 HH22 ARG 75 -15.680 12.106 -6.515 632 H SER 76 HN SER 76 -13.310 14.607 2.621 633 HA SER 76 HA SER 76 -15.700 16.055 2.755 634 1HB SER 76 HB2 SER 76 -14.340 14.518 4.512 635 2HB SER 76 HB1 SER 76 -13.960 16.119 5.146 636 HG SER 76 HG SER 76 -16.320 16.477 5.006 637 H LYS 77 HN LYS 77 -12.350 17.069 3.269 638 HA LYS 77 HA LYS 77 -13.060 19.767 3.923 639 1HB LYS 77 HB2 LYS 77 -10.740 18.175 4.068 640 2HB LYS 77 HB1 LYS 77 -10.340 19.511 2.996 641 1HG LYS 77 HG2 LYS 77 -11.720 20.158 5.536 642 2HG LYS 77 HG1 LYS 77 -10.030 19.657 5.621 643 1HD LYS 77 HD2 LYS 77 -10.640 21.641 3.537 644 2HD LYS 77 HD1 LYS 77 -10.870 22.207 5.193 645 1HE LYS 77 HE2 LYS 77 -8.663 22.152 5.654 646 2HE LYS 77 HE1 LYS 77 -8.394 20.696 4.696 647 1HZ LYS 77 HZ1 LYS 77 -9.024 23.154 3.252 648 2HZ LYS 77 HZ2 LYS 77 -7.988 21.886 2.828 649 3HZ LYS 77 HZ3 LYS 77 -7.489 23.044 3.956 Start of MODEL 15 1 1H MET 1 HT1 MET 1 23.881 -4.163 -5.368 2 2H MET 1 HT2 MET 1 23.333 -4.107 -6.993 3 3H MET 1 HT3 MET 1 23.034 -5.496 -6.032 4 HA MET 1 HA MET 1 21.654 -4.217 -4.577 5 1HB MET 1 HB2 MET 1 22.714 -2.059 -6.323 6 2HB MET 1 HB1 MET 1 21.040 -1.907 -5.805 7 1HG MET 1 HG2 MET 1 22.201 -2.492 -3.454 8 2HG MET 1 HG1 MET 1 23.533 -1.669 -4.261 9 1HE MET 1 HE1 MET 1 23.841 0.842 -4.041 10 2HE MET 1 HE2 MET 1 22.537 1.937 -4.497 11 3HE MET 1 HE3 MET 1 23.053 0.670 -5.609 12 H THR 2 HN THR 2 19.629 -4.875 -4.913 13 HA THR 2 HA THR 2 18.400 -4.615 -7.533 14 HB THR 2 HB THR 2 18.461 -7.319 -6.197 15 HG1 THR 2 HG1 THR 2 20.524 -7.081 -6.825 16 1HG2 THR 2 HG21 THR 2 17.471 -6.298 -8.816 17 2HG2 THR 2 HG22 THR 2 16.696 -7.387 -7.666 18 3HG2 THR 2 HG23 THR 2 18.027 -7.965 -8.667 19 H THR 3 HN THR 3 16.249 -4.271 -7.412 20 HA THR 3 HA THR 3 15.031 -4.425 -4.740 21 HB THR 3 HB THR 3 13.380 -2.773 -5.670 22 HG1 THR 3 HG1 THR 3 13.614 -3.079 -7.852 23 1HG2 THR 3 HG21 THR 3 16.239 -1.854 -5.820 24 2HG2 THR 3 HG22 THR 3 15.282 -1.986 -4.344 25 3HG2 THR 3 HG23 THR 3 14.815 -0.838 -5.598 26 H SER 4 HN SER 4 13.289 -5.669 -4.383 27 HA SER 4 HA SER 4 12.264 -7.228 -6.646 28 1HB SER 4 HB2 SER 4 12.306 -7.708 -3.672 29 2HB SER 4 HB1 SER 4 11.270 -8.649 -4.743 30 HG SER 4 HG SER 4 14.073 -8.376 -5.078 31 H THR 5 HN THR 5 9.854 -8.015 -6.002 32 HA THR 5 HA THR 5 8.257 -5.656 -6.282 33 HB THR 5 HB THR 5 7.186 -8.427 -5.790 34 HG1 THR 5 HG1 THR 5 8.058 -7.402 -8.283 35 1HG2 THR 5 HG21 THR 5 6.200 -6.123 -7.450 36 2HG2 THR 5 HG22 THR 5 5.489 -6.740 -5.959 37 3HG2 THR 5 HG23 THR 5 5.476 -7.730 -7.419 38 H LEU 6 HN LEU 6 9.027 -7.862 -3.687 39 HA LEU 6 HA LEU 6 6.947 -7.001 -1.930 40 1HB LEU 6 HB2 LEU 6 9.379 -8.700 -1.701 41 2HB LEU 6 HB1 LEU 6 8.689 -8.059 -0.222 42 HG LEU 6 HG LEU 6 7.895 -10.330 -0.732 43 1HD1 LEU 6 HD11 LEU 6 5.614 -8.404 -1.024 44 2HD1 LEU 6 HD12 LEU 6 6.516 -8.581 0.481 45 3HD1 LEU 6 HD13 LEU 6 5.641 -9.957 -0.189 46 1HD2 LEU 6 HD21 LEU 6 7.970 -10.130 -3.188 47 2HD2 LEU 6 HD22 LEU 6 6.573 -9.062 -3.123 48 3HD2 LEU 6 HD23 LEU 6 6.419 -10.740 -2.602 49 H GLN 7 HN GLN 7 10.398 -6.245 -2.247 50 HA GLN 7 HA GLN 7 10.527 -4.484 -0.043 51 1HB GLN 7 HB2 GLN 7 12.331 -5.544 -1.879 52 2HB GLN 7 HB1 GLN 7 12.376 -3.814 -2.189 53 1HG GLN 7 HG2 GLN 7 12.501 -4.646 0.639 54 2HG GLN 7 HG1 GLN 7 13.901 -5.027 -0.362 55 1HE2 GLN 7 HE21 GLN 7 12.167 -2.596 1.288 56 2HE2 GLN 7 HE22 GLN 7 13.195 -1.266 0.889 57 H LYS 8 HN LYS 8 9.552 -4.065 -3.368 58 HA LYS 8 HA LYS 8 9.663 -1.221 -3.395 59 1HB LYS 8 HB2 LYS 8 8.508 -3.335 -5.148 60 2HB LYS 8 HB1 LYS 8 7.901 -1.696 -5.335 61 1HG LYS 8 HG2 LYS 8 10.508 -1.163 -5.384 62 2HG LYS 8 HG1 LYS 8 10.557 -2.825 -5.978 63 1HD LYS 8 HD2 LYS 8 9.559 -2.293 -7.935 64 2HD LYS 8 HD1 LYS 8 8.503 -1.090 -7.190 65 1HE LYS 8 HE2 LYS 8 9.849 0.297 -8.395 66 2HE LYS 8 HE1 LYS 8 10.789 0.210 -6.905 67 1HZ LYS 8 HZ1 LYS 8 12.140 -1.531 -7.916 68 2HZ LYS 8 HZ2 LYS 8 12.195 -0.110 -8.832 69 3HZ LYS 8 HZ3 LYS 8 11.250 -1.414 -9.350 70 H ALA 9 HN ALA 9 7.180 -3.581 -2.589 71 HA ALA 9 HA ALA 9 5.018 -1.764 -2.421 72 1HB ALA 9 HB1 ALA 9 3.819 -3.530 -1.330 73 2HB ALA 9 HB2 ALA 9 5.320 -4.371 -0.939 74 3HB ALA 9 HB3 ALA 9 4.796 -4.235 -2.618 75 H ILE 10 HN ILE 10 7.495 -2.766 -0.154 76 HA ILE 10 HA ILE 10 6.260 -1.641 2.159 77 HB ILE 10 HB ILE 10 9.196 -2.214 1.756 78 1HG1 ILE 10 HG12 ILE 10 7.258 -4.104 3.057 79 2HG1 ILE 10 HG11 ILE 10 7.472 -4.119 1.309 80 1HG2 ILE 10 HG21 ILE 10 8.885 -0.915 3.708 81 2HG2 ILE 10 HG22 ILE 10 9.072 -2.583 4.249 82 3HG2 ILE 10 HG23 ILE 10 7.470 -1.850 4.191 83 1HD1 ILE 10 HD11 ILE 10 8.939 -5.550 3.116 84 2HD1 ILE 10 HD12 ILE 10 9.986 -4.174 2.772 85 3HD1 ILE 10 HD13 ILE 10 9.412 -5.197 1.455 86 H ASP 11 HN ASP 11 8.357 -0.425 -0.349 87 HA ASP 11 HA ASP 11 9.223 1.912 1.015 88 1HB ASP 11 HB2 ASP 11 9.840 0.670 -1.388 89 2HB ASP 11 HB1 ASP 11 9.080 2.178 -1.887 90 H LEU 12 HN LEU 12 6.391 1.099 -0.849 91 HA LEU 12 HA LEU 12 5.521 3.807 -1.214 92 1HB LEU 12 HB2 LEU 12 4.397 1.104 -1.748 93 2HB LEU 12 HB1 LEU 12 3.278 2.450 -1.653 94 HG LEU 12 HG LEU 12 3.933 1.981 -3.964 95 1HD1 LEU 12 HD11 LEU 12 3.564 4.361 -2.939 96 2HD1 LEU 12 HD12 LEU 12 4.127 4.175 -4.601 97 3HD1 LEU 12 HD13 LEU 12 5.276 4.561 -3.319 98 1HD2 LEU 12 HD21 LEU 12 6.302 2.596 -4.618 99 2HD2 LEU 12 HD22 LEU 12 6.099 1.067 -3.761 100 3HD2 LEU 12 HD23 LEU 12 6.701 2.485 -2.904 101 H VAL 13 HN VAL 13 5.027 1.299 1.168 102 HA VAL 13 HA VAL 13 2.810 2.577 2.458 103 HB VAL 13 HB VAL 13 4.648 0.473 3.607 104 1HG1 VAL 13 HG11 VAL 13 1.772 1.072 4.275 105 2HG1 VAL 13 HG12 VAL 13 3.144 1.712 5.179 106 3HG1 VAL 13 HG13 VAL 13 2.867 -0.028 5.112 107 1HG2 VAL 13 HG21 VAL 13 2.011 -0.149 2.347 108 2HG2 VAL 13 HG22 VAL 13 3.405 -1.197 2.611 109 3HG2 VAL 13 HG23 VAL 13 3.446 0.020 1.335 110 H THR 14 HN THR 14 6.284 2.698 2.759 111 HA THR 14 HA THR 14 6.279 3.994 5.322 112 HB THR 14 HB THR 14 8.544 3.966 3.331 113 HG1 THR 14 HG1 THR 14 8.864 1.933 3.736 114 1HG2 THR 14 HG21 THR 14 8.445 4.121 6.328 115 2HG2 THR 14 HG22 THR 14 9.066 5.328 5.201 116 3HG2 THR 14 HG23 THR 14 9.913 3.794 5.409 117 H LYS 15 HN LYS 15 6.427 5.009 1.961 118 HA LYS 15 HA LYS 15 7.030 7.741 2.526 119 1HB LYS 15 HB2 LYS 15 6.701 6.095 0.204 120 2HB LYS 15 HB1 LYS 15 5.722 7.544 0.018 121 1HG LYS 15 HG2 LYS 15 7.534 8.655 -0.589 122 2HG LYS 15 HG1 LYS 15 8.213 8.387 1.017 123 1HD LYS 15 HD2 LYS 15 9.840 7.282 -0.056 124 2HD LYS 15 HD1 LYS 15 8.660 5.980 -0.210 125 1HE LYS 15 HE2 LYS 15 9.028 6.154 -2.411 126 2HE LYS 15 HE1 LYS 15 8.017 7.596 -2.321 127 1HZ LYS 15 HZ1 LYS 15 10.969 7.611 -2.010 128 2HZ LYS 15 HZ2 LYS 15 9.952 8.958 -2.117 129 3HZ LYS 15 HZ3 LYS 15 10.164 7.951 -3.460 130 H ALA 16 HN ALA 16 4.102 5.865 2.225 131 HA ALA 16 HA ALA 16 2.345 8.121 2.033 132 1HB ALA 16 HB1 ALA 16 1.274 6.330 1.148 133 2HB ALA 16 HB2 ALA 16 0.689 6.171 2.805 134 3HB ALA 16 HB3 ALA 16 2.042 5.186 2.248 135 H THR 17 HN THR 17 3.297 5.903 4.636 136 HA THR 17 HA THR 17 1.633 6.922 6.635 137 HB THR 17 HB THR 17 2.789 4.823 6.935 138 HG1 THR 17 HG1 THR 17 2.344 5.951 8.842 139 1HG2 THR 17 HG21 THR 17 5.158 4.649 7.337 140 2HG2 THR 17 HG22 THR 17 5.357 6.381 7.074 141 3HG2 THR 17 HG23 THR 17 4.865 5.337 5.740 142 H GLU 18 HN GLU 18 4.950 7.820 5.749 143 HA GLU 18 HA GLU 18 5.277 9.773 7.765 144 1HB GLU 18 HB2 GLU 18 7.200 10.531 6.453 145 2HB GLU 18 HB1 GLU 18 7.176 8.777 6.584 146 1HG GLU 18 HG2 GLU 18 6.125 8.703 4.321 147 2HG GLU 18 HG1 GLU 18 6.401 10.440 4.203 148 H GLU 19 HN GLU 19 4.079 9.924 4.451 149 HA GLU 19 HA GLU 19 3.935 12.743 4.278 150 1HB GLU 19 HB2 GLU 19 2.722 10.468 2.762 151 2HB GLU 19 HB1 GLU 19 2.113 12.095 2.492 152 1HG GLU 19 HG2 GLU 19 5.046 11.583 2.359 153 2HG GLU 19 HG1 GLU 19 4.016 11.131 1.002 154 H ASP 20 HN ASP 20 1.621 10.278 5.307 155 HA ASP 20 HA ASP 20 -0.671 11.821 5.518 156 1HB ASP 20 HB2 ASP 20 -0.073 9.242 6.078 157 2HB ASP 20 HB1 ASP 20 -0.213 9.885 7.712 158 H LYS 21 HN LYS 21 2.056 11.553 7.725 159 HA LYS 21 HA LYS 21 0.835 13.082 9.814 160 1HB LYS 21 HB2 LYS 21 3.533 11.938 9.290 161 2HB LYS 21 HB1 LYS 21 3.416 13.251 10.453 162 1HG LYS 21 HG2 LYS 21 2.666 11.877 12.016 163 2HG LYS 21 HG1 LYS 21 1.367 11.313 10.965 164 1HD LYS 21 HD2 LYS 21 3.016 9.777 9.883 165 2HD LYS 21 HD1 LYS 21 4.186 10.255 11.113 166 1HE LYS 21 HE2 LYS 21 1.571 9.397 12.144 167 2HE LYS 21 HE1 LYS 21 2.498 8.140 11.327 168 1HZ LYS 21 HZ1 LYS 21 4.312 8.483 12.810 169 2HZ LYS 21 HZ2 LYS 21 2.918 8.304 13.749 170 3HZ LYS 21 HZ3 LYS 21 3.580 9.841 13.505 171 H ALA 22 HN ALA 22 2.529 13.841 6.908 172 HA ALA 22 HA ALA 22 3.097 16.567 7.793 173 1HB ALA 22 HB1 ALA 22 4.819 15.273 6.554 174 2HB ALA 22 HB2 ALA 22 4.391 16.802 5.788 175 3HB ALA 22 HB3 ALA 22 3.757 15.286 5.147 176 H LYS 23 HN LYS 23 0.341 15.538 7.303 177 HA LYS 23 HA LYS 23 -1.612 16.224 6.361 178 1HB LYS 23 HB2 LYS 23 0.069 18.707 6.068 179 2HB LYS 23 HB1 LYS 23 -1.618 18.661 5.581 180 1HG LYS 23 HG2 LYS 23 -1.252 17.626 8.258 181 2HG LYS 23 HG1 LYS 23 -0.626 19.267 8.093 182 1HD LYS 23 HD2 LYS 23 -2.684 20.159 7.715 183 2HD LYS 23 HD1 LYS 23 -3.276 18.716 6.890 184 1HE LYS 23 HE2 LYS 23 -2.988 17.719 9.358 185 2HE LYS 23 HE1 LYS 23 -3.292 19.407 9.768 186 1HZ LYS 23 HZ1 LYS 23 -5.352 19.342 8.597 187 2HZ LYS 23 HZ2 LYS 23 -5.318 18.013 9.645 188 3HZ LYS 23 HZ3 LYS 23 -5.038 17.793 7.991 189 H ASN 24 HN ASN 24 -0.281 14.578 4.711 190 HA ASN 24 HA ASN 24 -0.694 15.788 2.056 191 1HB ASN 24 HB2 ASN 24 1.488 13.977 3.034 192 2HB ASN 24 HB1 ASN 24 1.006 13.927 1.341 193 1HD2 ASN 24 HD21 ASN 24 1.169 15.875 0.103 194 2HD2 ASN 24 HD22 ASN 24 2.339 17.073 0.528 195 H TYR 25 HN TYR 25 -2.803 14.660 3.356 196 HA TYR 25 HA TYR 25 -3.256 11.945 3.090 197 1HB TYR 25 HB2 TYR 25 -5.165 14.271 2.829 198 2HB TYR 25 HB1 TYR 25 -5.692 12.592 2.872 199 HD1 TYR 25 HD1 TYR 25 -5.844 11.408 4.923 200 HD2 TYR 25 HD2 TYR 25 -4.019 15.250 4.825 201 HE1 TYR 25 HE1 TYR 25 -5.860 11.471 7.381 202 HE2 TYR 25 HE2 TYR 25 -4.028 15.323 7.283 203 HH TYR 25 HH TYR 25 -5.267 14.297 9.152 204 H GLU 26 HN GLU 26 -3.256 14.435 0.647 205 HA GLU 26 HA GLU 26 -4.605 12.980 -1.375 206 1HB GLU 26 HB2 GLU 26 -2.950 15.439 -1.245 207 2HB GLU 26 HB1 GLU 26 -3.079 14.660 -2.816 208 1HG GLU 26 HG2 GLU 26 -5.641 14.929 -1.466 209 2HG GLU 26 HG1 GLU 26 -4.842 16.473 -1.757 210 H GLU 27 HN GLU 27 -1.160 13.458 -0.656 211 HA GLU 27 HA GLU 27 -0.239 11.837 -2.803 212 1HB GLU 27 HB2 GLU 27 0.968 13.642 -1.241 213 2HB GLU 27 HB1 GLU 27 1.447 12.186 -0.381 214 1HG GLU 27 HG2 GLU 27 3.192 12.362 -1.814 215 2HG GLU 27 HG1 GLU 27 2.106 11.387 -2.804 216 H ALA 28 HN ALA 28 -0.837 11.256 0.631 217 HA ALA 28 HA ALA 28 0.234 8.682 0.815 218 1HB ALA 28 HB1 ALA 28 -2.066 9.919 2.323 219 2HB ALA 28 HB2 ALA 28 -0.365 9.921 2.790 220 3HB ALA 28 HB3 ALA 28 -1.270 8.407 2.764 221 H LEU 29 HN LEU 29 -2.858 9.805 -0.395 222 HA LEU 29 HA LEU 29 -4.192 7.325 -0.453 223 1HB LEU 29 HB2 LEU 29 -5.294 9.530 -0.701 224 2HB LEU 29 HB1 LEU 29 -4.567 9.691 -2.289 225 HG LEU 29 HG LEU 29 -5.805 7.425 -2.764 226 1HD1 LEU 29 HD11 LEU 29 -7.484 8.595 -0.551 227 2HD1 LEU 29 HD12 LEU 29 -6.550 7.103 -0.448 228 3HD1 LEU 29 HD13 LEU 29 -7.907 7.220 -1.570 229 1HD2 LEU 29 HD21 LEU 29 -7.607 9.794 -2.584 230 2HD2 LEU 29 HD22 LEU 29 -7.406 8.627 -3.891 231 3HD2 LEU 29 HD23 LEU 29 -6.182 9.867 -3.622 232 H ARG 30 HN ARG 30 -2.186 8.988 -2.852 233 HA ARG 30 HA ARG 30 -2.511 6.922 -4.821 234 1HB ARG 30 HB2 ARG 30 -1.133 9.516 -4.629 235 2HB ARG 30 HB1 ARG 30 -0.314 8.329 -5.634 236 1HG ARG 30 HG2 ARG 30 -1.650 8.987 -7.279 237 2HG ARG 30 HG1 ARG 30 -2.947 8.140 -6.435 238 1HD ARG 30 HD2 ARG 30 -3.124 10.378 -5.090 239 2HD ARG 30 HD1 ARG 30 -2.303 11.054 -6.496 240 HE ARG 30 HE ARG 30 -4.602 9.454 -7.148 241 1HH1 ARG 30 HH11 ARG 30 -3.484 12.644 -6.281 242 2HH1 ARG 30 HH12 ARG 30 -4.842 13.449 -6.992 243 1HH2 ARG 30 HH21 ARG 30 -6.388 10.511 -8.084 244 2HH2 ARG 30 HH22 ARG 30 -6.492 12.239 -8.015 245 H LEU 31 HN LEU 31 -0.144 7.745 -2.364 246 HA LEU 31 HA LEU 31 1.891 5.978 -3.231 247 1HB LEU 31 HB2 LEU 31 1.322 7.597 -0.837 248 2HB LEU 31 HB1 LEU 31 2.313 6.179 -0.550 249 HG LEU 31 HG LEU 31 3.616 8.257 -0.971 250 1HD1 LEU 31 HD11 LEU 31 5.293 7.114 -1.981 251 2HD1 LEU 31 HD12 LEU 31 4.252 6.493 -3.262 252 3HD1 LEU 31 HD13 LEU 31 4.214 5.756 -1.660 253 1HD2 LEU 31 HD21 LEU 31 1.809 8.774 -2.919 254 2HD2 LEU 31 HD22 LEU 31 3.141 8.117 -3.868 255 3HD2 LEU 31 HD23 LEU 31 3.406 9.514 -2.825 256 H TYR 32 HN TYR 32 -0.738 5.642 -0.876 257 HA TYR 32 HA TYR 32 -0.031 3.037 -0.023 258 1HB TYR 32 HB2 TYR 32 -2.263 4.893 0.374 259 2HB TYR 32 HB1 TYR 32 -2.749 3.202 0.396 260 HD1 TYR 32 HD1 TYR 32 -0.975 1.686 1.810 261 HD2 TYR 32 HD2 TYR 32 -1.796 5.814 2.427 262 HE1 TYR 32 HE1 TYR 32 -0.195 1.488 4.134 263 HE2 TYR 32 HE2 TYR 32 -1.018 5.629 4.751 264 HH TYR 32 HH TYR 32 -0.675 2.810 6.356 265 H GLN 33 HN GLN 33 -2.259 4.236 -2.498 266 HA GLN 33 HA GLN 33 -3.423 1.801 -3.216 267 1HB GLN 33 HB2 GLN 33 -3.028 4.428 -4.563 268 2HB GLN 33 HB1 GLN 33 -3.512 3.063 -5.560 269 1HG GLN 33 HG2 GLN 33 -5.480 2.722 -4.193 270 2HG GLN 33 HG1 GLN 33 -4.980 4.024 -3.114 271 1HE2 GLN 33 HE21 GLN 33 -7.433 3.804 -4.596 272 2HE2 GLN 33 HE22 GLN 33 -7.506 5.168 -5.653 273 H HIS 34 HN HIS 34 -0.351 3.228 -4.099 274 HA HIS 34 HA HIS 34 0.223 1.434 -6.237 275 1HB HIS 34 HB2 HIS 34 1.718 3.494 -4.702 276 2HB HIS 34 HB1 HIS 34 2.671 2.270 -5.536 277 HD1 HIS 34 HD1 HIS 34 3.520 3.371 -7.584 278 HD2 HIS 34 HD2 HIS 34 -0.483 4.248 -6.900 279 HE1 HIS 34 HE1 HIS 34 2.778 4.717 -9.573 280 HE2 HIS 34 HE2 HIS 34 0.330 5.162 -9.180 281 H ALA 35 HN ALA 35 1.054 1.518 -2.798 282 HA ALA 35 HA ALA 35 2.818 -0.656 -2.765 283 1HB ALA 35 HB1 ALA 35 1.101 -0.317 -0.395 284 2HB ALA 35 HB2 ALA 35 1.989 1.114 -0.914 285 3HB ALA 35 HB3 ALA 35 2.858 -0.371 -0.529 286 H VAL 36 HN VAL 36 -0.693 -0.519 -2.621 287 HA VAL 36 HA VAL 36 -1.071 -3.255 -1.931 288 HB VAL 36 HB VAL 36 -3.027 -1.429 -3.332 289 1HG1 VAL 36 HG11 VAL 36 -4.709 -2.889 -2.233 290 2HG1 VAL 36 HG12 VAL 36 -3.395 -3.941 -1.708 291 3HG1 VAL 36 HG13 VAL 36 -3.720 -3.728 -3.427 292 1HG2 VAL 36 HG21 VAL 36 -1.997 -0.602 -1.128 293 2HG2 VAL 36 HG22 VAL 36 -2.919 -1.901 -0.372 294 3HG2 VAL 36 HG23 VAL 36 -3.756 -0.629 -1.263 295 H GLU 37 HN GLU 37 -0.712 -1.511 -4.944 296 HA GLU 37 HA GLU 37 -1.620 -3.598 -6.648 297 1HB GLU 37 HB2 GLU 37 0.032 -1.121 -7.088 298 2HB GLU 37 HB1 GLU 37 -0.263 -2.267 -8.389 299 1HG GLU 37 HG2 GLU 37 -2.526 -1.100 -6.819 300 2HG GLU 37 HG1 GLU 37 -1.801 -0.226 -8.167 301 H TYR 38 HN TYR 38 1.508 -2.711 -5.310 302 HA TYR 38 HA TYR 38 3.015 -4.542 -6.898 303 1HB TYR 38 HB2 TYR 38 3.557 -2.794 -4.547 304 2HB TYR 38 HB1 TYR 38 4.670 -4.123 -4.850 305 HD1 TYR 38 HD1 TYR 38 5.953 -4.202 -6.969 306 HD2 TYR 38 HD2 TYR 38 3.528 -0.859 -5.947 307 HE1 TYR 38 HE1 TYR 38 7.116 -2.848 -8.660 308 HE2 TYR 38 HE2 TYR 38 4.684 0.504 -7.635 309 HH TYR 38 HH TYR 38 5.979 0.029 -9.814 310 H PHE 39 HN PHE 39 1.397 -4.700 -3.795 311 HA PHE 39 HA PHE 39 2.588 -7.136 -2.935 312 1HB PHE 39 HB2 PHE 39 0.299 -5.446 -2.064 313 2HB PHE 39 HB1 PHE 39 0.318 -7.123 -1.527 314 HD1 PHE 39 HD1 PHE 39 2.835 -7.845 -0.737 315 HD2 PHE 39 HD2 PHE 39 1.138 -3.946 -0.563 316 HE1 PHE 39 HE1 PHE 39 4.398 -7.250 1.069 317 HE2 PHE 39 HE2 PHE 39 2.698 -3.343 1.243 318 HZ PHE 39 HZ PHE 39 4.331 -4.996 2.061 319 H LEU 40 HN LEU 40 -0.587 -6.388 -4.366 320 HA LEU 40 HA LEU 40 -1.537 -9.014 -4.491 321 1HB LEU 40 HB2 LEU 40 -2.233 -6.429 -5.697 322 2HB LEU 40 HB1 LEU 40 -2.699 -7.817 -6.662 323 HG LEU 40 HG LEU 40 -3.421 -7.802 -3.769 324 1HD1 LEU 40 HD11 LEU 40 -4.698 -6.119 -5.902 325 2HD1 LEU 40 HD12 LEU 40 -4.166 -5.638 -4.292 326 3HD1 LEU 40 HD13 LEU 40 -5.584 -6.669 -4.481 327 1HD2 LEU 40 HD21 LEU 40 -5.187 -9.186 -4.459 328 2HD2 LEU 40 HD22 LEU 40 -3.795 -9.718 -5.402 329 3HD2 LEU 40 HD23 LEU 40 -5.025 -8.694 -6.145 330 H HIS 41 HN HIS 41 0.245 -7.108 -6.899 331 HA HIS 41 HA HIS 41 0.241 -9.054 -8.930 332 1HB HIS 41 HB2 HIS 41 0.868 -6.568 -9.086 333 2HB HIS 41 HB1 HIS 41 2.460 -7.058 -8.515 334 HD1 HIS 41 HD1 HIS 41 0.827 -6.332 -11.530 335 HD2 HIS 41 HD2 HIS 41 3.397 -9.367 -10.330 336 HE1 HIS 41 HE1 HIS 41 1.795 -7.274 -13.650 337 HE2 HIS 41 HE2 HIS 41 3.404 -9.058 -12.890 338 H ALA 42 HN ALA 42 2.256 -8.609 -6.114 339 HA ALA 42 HA ALA 42 4.369 -10.330 -6.914 340 1HB ALA 42 HB1 ALA 42 3.577 -9.726 -4.075 341 2HB ALA 42 HB2 ALA 42 4.454 -8.583 -5.094 342 3HB ALA 42 HB3 ALA 42 5.173 -10.140 -4.698 343 H ILE 43 HN ILE 43 1.293 -10.830 -5.310 344 HA ILE 43 HA ILE 43 1.863 -13.530 -4.530 345 HB ILE 43 HB ILE 43 -0.839 -12.200 -4.732 346 1HG1 ILE 43 HG12 ILE 43 0.678 -12.450 -2.166 347 2HG1 ILE 43 HG11 ILE 43 1.070 -11.130 -3.260 348 1HG2 ILE 43 HG21 ILE 43 -1.534 -13.870 -3.109 349 2HG2 ILE 43 HG22 ILE 43 0.097 -14.530 -3.064 350 3HG2 ILE 43 HG23 ILE 43 -0.865 -14.650 -4.539 351 1HD1 ILE 43 HD11 ILE 43 -0.675 -9.975 -2.557 352 2HD1 ILE 43 HD12 ILE 43 -0.967 -11.230 -1.353 353 3HD1 ILE 43 HD13 ILE 43 -1.768 -11.310 -2.923 354 H LYS 44 HN LYS 44 -0.002 -11.970 -7.112 355 HA LYS 44 HA LYS 44 -1.081 -14.280 -8.261 356 1HB LYS 44 HB2 LYS 44 -1.256 -11.600 -8.766 357 2HB LYS 44 HB1 LYS 44 -0.331 -12.160 -10.150 358 1HG LYS 44 HG2 LYS 44 -2.230 -14.000 -10.220 359 2HG LYS 44 HG1 LYS 44 -3.134 -12.740 -9.384 360 1HD LYS 44 HD2 LYS 44 -3.587 -11.960 -11.440 361 2HD LYS 44 HD1 LYS 44 -1.941 -11.330 -11.390 362 1HE LYS 44 HE2 LYS 44 -1.673 -12.500 -13.290 363 2HE LYS 44 HE1 LYS 44 -1.506 -13.880 -12.200 364 1HZ LYS 44 HZ1 LYS 44 -4.121 -13.020 -13.300 365 2HZ LYS 44 HZ2 LYS 44 -3.739 -14.490 -12.550 366 3HZ LYS 44 HZ3 LYS 44 -3.127 -14.140 -14.090 367 H TYR 45 HN TYR 45 1.863 -12.490 -9.170 368 HA TYR 45 HA TYR 45 2.670 -14.520 -11.040 369 1HB TYR 45 HB2 TYR 45 3.962 -12.010 -9.986 370 2HB TYR 45 HB1 TYR 45 4.839 -13.130 -11.020 371 HD1 TYR 45 HD1 TYR 45 4.965 -12.410 -13.210 372 HD2 TYR 45 HD2 TYR 45 1.404 -11.630 -11.010 373 HE1 TYR 45 HE1 TYR 45 3.986 -11.330 -15.190 374 HE2 TYR 45 HE2 TYR 45 0.416 -10.550 -12.990 375 HH TYR 45 HH TYR 45 0.679 -10.560 -15.410 376 H GLU 46 HN GLU 46 4.281 -13.240 -8.120 377 HA GLU 46 HA GLU 46 5.749 -15.740 -7.858 378 1HB GLU 46 HB2 GLU 46 5.976 -13.010 -6.668 379 2HB GLU 46 HB1 GLU 46 6.675 -14.370 -5.796 380 1HG GLU 46 HG2 GLU 46 7.687 -14.850 -8.223 381 2HG GLU 46 HG1 GLU 46 7.513 -13.100 -8.323 382 H ALA 47 HN ALA 47 4.019 -17.120 -7.263 383 HA ALA 47 HA ALA 47 2.547 -16.570 -4.830 384 1HB ALA 47 HB1 ALA 47 2.498 -19.160 -6.349 385 2HB ALA 47 HB2 ALA 47 1.618 -17.730 -6.904 386 3HB ALA 47 HB3 ALA 47 1.242 -18.450 -5.336 387 H HIS 48 HN HIS 48 3.166 -17.150 -2.860 388 HA HIS 48 HA HIS 48 5.338 -19.120 -2.599 389 1HB HIS 48 HB2 HIS 48 4.898 -16.540 -1.422 390 2HB HIS 48 HB1 HIS 48 4.910 -17.750 -0.142 391 HD1 HIS 48 HD1 HIS 48 7.123 -15.680 -2.043 392 HD2 HIS 48 HD2 HIS 48 7.353 -19.480 -0.371 393 HE1 HIS 48 HE1 HIS 48 9.579 -16.200 -1.899 394 HE2 HIS 48 HE2 HIS 48 9.690 -18.540 -0.967 395 H SER 49 HN SER 49 5.083 -19.720 0.085 396 HA SER 49 HA SER 49 3.155 -21.770 0.040 397 1HB SER 49 HB2 SER 49 5.342 -21.270 1.561 398 2HB SER 49 HB1 SER 49 4.066 -20.830 2.697 399 HG SER 49 HG SER 49 3.379 -22.870 2.733 400 H ASP 50 HN ASP 50 1.516 -22.020 1.887 401 HA ASP 50 HA ASP 50 -0.510 -20.120 1.557 402 1HB ASP 50 HB2 ASP 50 -1.641 -21.310 3.436 403 2HB ASP 50 HB1 ASP 50 -1.056 -22.380 2.170 404 H LYS 51 HN LYS 51 2.036 -20.390 3.931 405 HA LYS 51 HA LYS 51 0.980 -18.620 5.859 406 1HB LYS 51 HB2 LYS 51 3.251 -20.200 5.624 407 2HB LYS 51 HB1 LYS 51 3.887 -18.560 5.666 408 1HG LYS 51 HG2 LYS 51 2.065 -18.500 7.692 409 2HG LYS 51 HG1 LYS 51 2.658 -20.160 7.781 410 1HD LYS 51 HD2 LYS 51 4.995 -18.900 7.505 411 2HD LYS 51 HD1 LYS 51 4.075 -17.600 8.265 412 1HE LYS 51 HE2 LYS 51 4.665 -18.590 10.190 413 2HE LYS 51 HE1 LYS 51 3.384 -19.740 9.807 414 1HZ LYS 51 HZ1 LYS 51 5.495 -20.820 10.384 415 2HZ LYS 51 HZ2 LYS 51 6.236 -20.080 9.055 416 3HZ LYS 51 HZ3 LYS 51 4.993 -21.200 8.814 417 H ALA 52 HN ALA 52 3.305 -18.090 3.215 418 HA ALA 52 HA ALA 52 3.501 -15.290 3.667 419 1HB ALA 52 HB1 ALA 52 4.995 -17.080 2.291 420 2HB ALA 52 HB2 ALA 52 5.115 -15.330 2.100 421 3HB ALA 52 HB3 ALA 52 4.142 -16.270 0.973 422 H LYS 53 HN LYS 53 1.516 -17.320 1.600 423 HA LYS 53 HA LYS 53 0.481 -15.300 -0.063 424 1HB LYS 53 HB2 LYS 53 0.325 -17.880 -0.258 425 2HB LYS 53 HB1 LYS 53 -1.117 -17.710 0.733 426 1HG LYS 53 HG2 LYS 53 -2.322 -16.790 -0.939 427 2HG LYS 53 HG1 LYS 53 -0.932 -15.950 -1.627 428 1HD LYS 53 HD2 LYS 53 -0.129 -18.000 -2.619 429 2HD LYS 53 HD1 LYS 53 -1.409 -18.920 -1.829 430 1HE LYS 53 HE2 LYS 53 -2.962 -17.220 -3.101 431 2HE LYS 53 HE1 LYS 53 -1.557 -17.060 -4.155 432 1HZ LYS 53 HZ1 LYS 53 -1.667 -19.650 -4.105 433 2HZ LYS 53 HZ2 LYS 53 -2.671 -18.780 -5.145 434 3HZ LYS 53 HZ3 LYS 53 -3.287 -19.390 -3.694 435 H GLU 54 HN GLU 54 -0.803 -16.740 2.922 436 HA GLU 54 HA GLU 54 -3.116 -15.120 3.033 437 1HB GLU 54 HB2 GLU 54 -1.800 -17.100 4.732 438 2HB GLU 54 HB1 GLU 54 -2.594 -15.830 5.653 439 1HG GLU 54 HG2 GLU 54 -4.560 -16.780 5.319 440 2HG GLU 54 HG1 GLU 54 -4.342 -16.680 3.572 441 H SER 55 HN SER 55 0.136 -14.770 4.330 442 HA SER 55 HA SER 55 -0.329 -12.600 6.046 443 1HB SER 55 HB2 SER 55 1.825 -14.130 5.535 444 2HB SER 55 HB1 SER 55 2.265 -12.700 4.601 445 HG SER 55 HG SER 55 2.208 -11.480 6.431 446 H ILE 56 HN ILE 56 0.684 -12.670 2.640 447 HA ILE 56 HA ILE 56 0.780 -9.846 2.365 448 HB ILE 56 HB ILE 56 0.441 -11.870 0.160 449 1HG1 ILE 56 HG12 ILE 56 3.095 -10.740 0.943 450 2HG1 ILE 56 HG11 ILE 56 2.434 -12.080 1.886 451 1HG2 ILE 56 HG21 ILE 56 1.548 -9.074 0.169 452 2HG2 ILE 56 HG22 ILE 56 0.030 -9.604 -0.557 453 3HG2 ILE 56 HG23 ILE 56 1.566 -10.170 -1.212 454 1HD1 ILE 56 HD11 ILE 56 2.967 -12.090 -1.075 455 2HD1 ILE 56 HD12 ILE 56 2.275 -13.420 -0.148 456 3HD1 ILE 56 HD13 ILE 56 3.927 -12.890 0.169 457 H ARG 57 HN ARG 57 -1.642 -12.290 1.521 458 HA ARG 57 HA ARG 57 -3.466 -10.600 0.246 459 1HB ARG 57 HB2 ARG 57 -3.359 -13.250 0.653 460 2HB ARG 57 HB1 ARG 57 -4.558 -12.830 1.866 461 1HG ARG 57 HG2 ARG 57 -5.933 -13.210 0.102 462 2HG ARG 57 HG1 ARG 57 -5.612 -11.500 -0.158 463 1HD ARG 57 HD2 ARG 57 -3.805 -12.100 -1.722 464 2HD ARG 57 HD1 ARG 57 -4.200 -13.800 -1.494 465 HE ARG 57 HE ARG 57 -6.550 -12.730 -2.287 466 1HH1 ARG 57 HH11 ARG 57 -3.318 -12.600 -3.594 467 2HH1 ARG 57 HH12 ARG 57 -3.852 -12.450 -5.234 468 1HH2 ARG 57 HH21 ARG 57 -7.256 -12.540 -4.443 469 2HH2 ARG 57 HH22 ARG 57 -6.088 -12.410 -5.716 470 H ALA 58 HN ALA 58 -3.137 -11.490 3.657 471 HA ALA 58 HA ALA 58 -5.450 -10.130 4.552 472 1HB ALA 58 HB1 ALA 58 -2.966 -10.860 6.099 473 2HB ALA 58 HB2 ALA 58 -4.371 -11.890 5.853 474 3HB ALA 58 HB3 ALA 58 -4.525 -10.410 6.788 475 H LYS 59 HN LYS 59 -2.159 -9.128 3.947 476 HA LYS 59 HA LYS 59 -2.297 -6.666 5.370 477 1HB LYS 59 HB2 LYS 59 -0.398 -8.013 3.578 478 2HB LYS 59 HB1 LYS 59 -0.368 -6.259 3.467 479 1HG LYS 59 HG2 LYS 59 0.665 -6.046 5.427 480 2HG LYS 59 HG1 LYS 59 -0.409 -7.205 6.215 481 1HD LYS 59 HD2 LYS 59 1.105 -8.815 4.593 482 2HD LYS 59 HD1 LYS 59 2.264 -7.580 5.087 483 1HE LYS 59 HE2 LYS 59 1.041 -8.118 7.447 484 2HE LYS 59 HE1 LYS 59 0.960 -9.694 6.660 485 1HZ LYS 59 HZ1 LYS 59 2.974 -9.599 7.879 486 2HZ LYS 59 HZ2 LYS 59 3.390 -8.093 7.231 487 3HZ LYS 59 HZ3 LYS 59 3.393 -9.467 6.244 488 H CYS 60 HN CYS 60 -3.030 -7.651 2.082 489 HA CYS 60 HA CYS 60 -3.277 -5.057 0.980 490 1HB CYS 60 HB2 CYS 60 -4.217 -7.786 0.174 491 2HB CYS 60 HB1 CYS 60 -4.810 -6.371 -0.690 492 HG CYS 60 HG CYS 60 -2.776 -6.922 -2.024 493 H VAL 61 HN VAL 61 -5.477 -7.139 2.736 494 HA VAL 61 HA VAL 61 -7.869 -5.758 2.134 495 HB VAL 61 HB VAL 61 -7.292 -7.306 4.661 496 1HG1 VAL 61 HG11 VAL 61 -9.858 -7.820 4.041 497 2HG1 VAL 61 HG12 VAL 61 -9.707 -6.189 3.387 498 3HG1 VAL 61 HG13 VAL 61 -9.355 -6.493 5.089 499 1HG2 VAL 61 HG21 VAL 61 -7.660 -8.203 1.874 500 2HG2 VAL 61 HG22 VAL 61 -8.574 -9.079 3.102 501 3HG2 VAL 61 HG23 VAL 61 -6.817 -8.977 3.215 502 H GLN 62 HN GLN 62 -5.608 -5.517 4.867 503 HA GLN 62 HA GLN 62 -7.056 -3.475 6.209 504 1HB GLN 62 HB2 GLN 62 -4.415 -4.780 6.493 505 2HB GLN 62 HB1 GLN 62 -4.554 -3.165 7.174 506 1HG GLN 62 HG2 GLN 62 -5.325 -4.187 8.991 507 2HG GLN 62 HG1 GLN 62 -6.827 -4.370 8.087 508 1HE2 GLN 62 HE21 GLN 62 -5.098 -6.000 10.106 509 2HE2 GLN 62 HE22 GLN 62 -5.171 -7.598 9.454 510 H TYR 63 HN TYR 63 -4.299 -3.451 3.988 511 HA TYR 63 HA TYR 63 -3.691 -0.726 4.134 512 1HB TYR 63 HB2 TYR 63 -3.283 -2.831 2.035 513 2HB TYR 63 HB1 TYR 63 -2.862 -1.155 1.697 514 HD1 TYR 63 HD1 TYR 63 -1.690 -0.190 4.144 515 HD2 TYR 63 HD2 TYR 63 -1.331 -4.030 2.346 516 HE1 TYR 63 HE1 TYR 63 0.476 -0.506 5.264 517 HE2 TYR 63 HE2 TYR 63 0.835 -4.356 3.462 518 HH TYR 63 HH TYR 63 1.876 -2.603 6.009 519 H LEU 64 HN LEU 64 -6.102 -2.455 2.246 520 HA LEU 64 HA LEU 64 -6.816 -0.278 0.569 521 1HB LEU 64 HB2 LEU 64 -8.112 -2.875 1.310 522 2HB LEU 64 HB1 LEU 64 -9.003 -1.683 0.382 523 HG LEU 64 HG LEU 64 -6.303 -2.574 -0.556 524 1HD1 LEU 64 HD11 LEU 64 -8.903 -4.045 -0.960 525 2HD1 LEU 64 HD12 LEU 64 -7.450 -4.650 -0.165 526 3HD1 LEU 64 HD13 LEU 64 -7.435 -4.322 -1.898 527 1HD2 LEU 64 HD21 LEU 64 -7.223 -0.721 -1.729 528 2HD2 LEU 64 HD22 LEU 64 -8.797 -1.506 -1.863 529 3HD2 LEU 64 HD23 LEU 64 -7.416 -2.137 -2.762 530 H ASP 65 HN ASP 65 -7.949 -1.413 3.702 531 HA ASP 65 HA ASP 65 -10.230 0.243 3.875 532 1HB ASP 65 HB2 ASP 65 -9.062 -1.742 5.444 533 2HB ASP 65 HB1 ASP 65 -8.991 -0.298 6.451 534 H ARG 66 HN ARG 66 -6.845 0.767 4.585 535 HA ARG 66 HA ARG 66 -7.197 3.179 6.055 536 1HB ARG 66 HB2 ARG 66 -5.123 1.526 5.786 537 2HB ARG 66 HB1 ARG 66 -4.680 2.687 4.542 538 1HG ARG 66 HG2 ARG 66 -3.588 3.445 6.450 539 2HG ARG 66 HG1 ARG 66 -5.019 4.473 6.338 540 1HD ARG 66 HD2 ARG 66 -5.654 2.123 7.843 541 2HD ARG 66 HD1 ARG 66 -4.194 2.858 8.502 542 HE ARG 66 HE ARG 66 -6.301 4.746 8.020 543 1HH1 ARG 66 HH11 ARG 66 -5.005 2.440 10.296 544 2HH1 ARG 66 HH12 ARG 66 -5.737 3.198 11.671 545 1HH2 ARG 66 HH21 ARG 66 -7.265 5.744 9.827 546 2HH2 ARG 66 HH22 ARG 66 -7.020 5.073 11.405 547 H ALA 67 HN ALA 67 -6.311 2.494 2.681 548 HA ALA 67 HA ALA 67 -6.003 5.142 1.839 549 1HB ALA 67 HB1 ALA 67 -7.061 2.972 0.057 550 2HB ALA 67 HB2 ALA 67 -5.388 2.985 0.616 551 3HB ALA 67 HB3 ALA 67 -6.004 4.323 -0.354 552 H GLU 68 HN GLU 68 -8.866 3.217 2.338 553 HA GLU 68 HA GLU 68 -10.660 4.806 0.836 554 1HB GLU 68 HB2 GLU 68 -10.920 2.719 2.951 555 2HB GLU 68 HB1 GLU 68 -12.320 3.719 2.599 556 1HG GLU 68 HG2 GLU 68 -10.920 2.507 0.295 557 2HG GLU 68 HG1 GLU 68 -11.830 1.426 1.350 558 H LYS 69 HN LYS 69 -9.606 4.883 4.203 559 HA LYS 69 HA LYS 69 -11.430 6.907 5.017 560 1HB LYS 69 HB2 LYS 69 -9.952 5.191 6.399 561 2HB LYS 69 HB1 LYS 69 -8.828 6.543 6.419 562 1HG LYS 69 HG2 LYS 69 -9.997 6.892 8.358 563 2HG LYS 69 HG1 LYS 69 -10.900 7.898 7.224 564 1HD LYS 69 HD2 LYS 69 -12.080 5.400 7.004 565 2HD LYS 69 HD1 LYS 69 -11.750 5.564 8.728 566 1HE LYS 69 HE2 LYS 69 -13.110 7.701 7.109 567 2HE LYS 69 HE1 LYS 69 -13.990 6.417 7.940 568 1HZ LYS 69 HZ1 LYS 69 -12.850 7.176 10.015 569 2HZ LYS 69 HZ2 LYS 69 -13.960 8.283 9.369 570 3HZ LYS 69 HZ3 LYS 69 -12.300 8.523 9.154 571 H LEU 70 HN LEU 70 -8.109 6.920 3.842 572 HA LEU 70 HA LEU 70 -7.535 9.625 4.340 573 1HB LEU 70 HB2 LEU 70 -6.474 7.826 2.161 574 2HB LEU 70 HB1 LEU 70 -5.771 9.360 2.637 575 HG LEU 70 HG LEU 70 -5.962 6.889 4.362 576 1HD1 LEU 70 HD11 LEU 70 -3.393 8.142 3.571 577 2HD1 LEU 70 HD12 LEU 70 -4.251 7.188 2.361 578 3HD1 LEU 70 HD13 LEU 70 -3.779 6.452 3.893 579 1HD2 LEU 70 HD21 LEU 70 -4.640 8.140 5.977 580 2HD2 LEU 70 HD22 LEU 70 -6.175 8.950 5.668 581 3HD2 LEU 70 HD23 LEU 70 -4.693 9.564 4.937 582 H LYS 71 HN LYS 71 -9.023 8.012 1.571 583 HA LYS 71 HA LYS 71 -9.126 10.312 -0.088 584 1HB LYS 71 HB2 LYS 71 -9.539 7.672 -0.508 585 2HB LYS 71 HB1 LYS 71 -11.200 8.237 -0.446 586 1HG LYS 71 HG2 LYS 71 -9.781 10.041 -2.083 587 2HG LYS 71 HG1 LYS 71 -9.323 8.412 -2.580 588 1HD LYS 71 HD2 LYS 71 -11.980 8.096 -2.325 589 2HD LYS 71 HD1 LYS 71 -11.920 9.800 -2.776 590 1HE LYS 71 HE2 LYS 71 -10.370 9.048 -4.668 591 2HE LYS 71 HE1 LYS 71 -10.920 7.414 -4.305 592 1HZ LYS 71 HZ1 LYS 71 -12.280 8.281 -6.032 593 2HZ LYS 71 HZ2 LYS 71 -12.570 9.716 -5.187 594 3HZ LYS 71 HZ3 LYS 71 -13.220 8.259 -4.632 595 H ASP 72 HN ASP 72 -11.540 8.745 1.996 596 HA ASP 72 HA ASP 72 -13.610 10.599 1.466 597 1HB ASP 72 HB2 ASP 72 -13.520 8.205 2.711 598 2HB ASP 72 HB1 ASP 72 -13.570 9.268 4.114 599 H TYR 73 HN TYR 73 -10.920 10.604 3.684 600 HA TYR 73 HA TYR 73 -11.880 12.611 5.438 601 1HB TYR 73 HB2 TYR 73 -10.040 11.080 6.022 602 2HB TYR 73 HB1 TYR 73 -9.029 11.850 4.805 603 HD1 TYR 73 HD1 TYR 73 -10.320 12.037 8.175 604 HD2 TYR 73 HD2 TYR 73 -8.336 14.231 5.118 605 HE1 TYR 73 HE1 TYR 73 -9.580 13.683 9.845 606 HE2 TYR 73 HE2 TYR 73 -7.587 15.882 6.780 607 HH TYR 73 HH TYR 73 -7.222 16.076 9.149 608 H LEU 74 HN LEU 74 -9.657 12.743 2.666 609 HA LEU 74 HA LEU 74 -9.414 15.588 2.765 610 1HB LEU 74 HB2 LEU 74 -8.248 15.347 0.616 611 2HB LEU 74 HB1 LEU 74 -7.625 14.255 1.839 612 HG LEU 74 HG LEU 74 -9.329 12.570 0.705 613 1HD1 LEU 74 HD11 LEU 74 -10.360 13.601 -1.011 614 2HD1 LEU 74 HD12 LEU 74 -8.882 13.183 -1.875 615 3HD1 LEU 74 HD13 LEU 74 -9.085 14.800 -1.202 616 1HD2 LEU 74 HD21 LEU 74 -6.554 13.340 -0.106 617 2HD2 LEU 74 HD22 LEU 74 -7.399 12.029 -0.930 618 3HD2 LEU 74 HD23 LEU 74 -7.103 11.934 0.807 619 H ARG 75 HN ARG 75 -11.480 13.328 1.078 620 HA ARG 75 HA ARG 75 -12.520 15.185 -0.811 621 1HB ARG 75 HB2 ARG 75 -13.240 12.448 0.115 622 2HB ARG 75 HB1 ARG 75 -14.470 13.375 -0.732 623 1HG ARG 75 HG2 ARG 75 -12.060 13.610 -2.202 624 2HG ARG 75 HG1 ARG 75 -12.290 11.906 -1.803 625 1HD ARG 75 HD2 ARG 75 -13.750 11.761 -3.467 626 2HD ARG 75 HD1 ARG 75 -14.810 12.860 -2.586 627 HE ARG 75 HE ARG 75 -13.190 13.471 -4.884 628 1HH1 ARG 75 HH11 ARG 75 -14.830 14.788 -2.097 629 2HH1 ARG 75 HH12 ARG 75 -14.970 16.375 -2.774 630 1HH2 ARG 75 HH21 ARG 75 -13.370 15.559 -5.775 631 2HH2 ARG 75 HH22 ARG 75 -14.140 16.813 -4.861 632 H SER 76 HN SER 76 -13.360 14.292 2.462 633 HA SER 76 HA SER 76 -15.930 15.481 2.510 634 1HB SER 76 HB2 SER 76 -13.980 14.647 4.640 635 2HB SER 76 HB1 SER 76 -15.470 15.497 5.060 636 HG SER 76 HG SER 76 -15.170 12.929 4.601 637 H LYS 77 HN LYS 77 -12.760 16.631 3.654 638 HA LYS 77 HA LYS 77 -13.810 19.256 4.232 639 1HB LYS 77 HB2 LYS 77 -11.620 17.784 5.099 640 2HB LYS 77 HB1 LYS 77 -10.910 19.055 4.116 641 1HG LYS 77 HG2 LYS 77 -11.940 20.753 5.456 642 2HG LYS 77 HG1 LYS 77 -12.860 19.546 6.356 643 1HD LYS 77 HD2 LYS 77 -11.180 19.679 7.840 644 2HD LYS 77 HD1 LYS 77 -10.300 18.656 6.697 645 1HE LYS 77 HE2 LYS 77 -9.868 21.132 5.656 646 2HE LYS 77 HE1 LYS 77 -9.922 21.483 7.384 647 1HZ LYS 77 HZ1 LYS 77 -7.688 20.992 6.811 648 2HZ LYS 77 HZ2 LYS 77 -8.124 19.578 5.993 649 3HZ LYS 77 HZ3 LYS 77 -8.271 19.661 7.676 Start of MODEL 16 1 1H MET 1 HT1 MET 1 20.149 -5.741 -4.938 2 2H MET 1 HT2 MET 1 21.816 -6.149 -4.952 3 3H MET 1 HT3 MET 1 20.724 -6.953 -6.005 4 HA MET 1 HA MET 1 21.722 -4.204 -6.111 5 1HB MET 1 HB2 MET 1 21.843 -6.699 -7.729 6 2HB MET 1 HB1 MET 1 21.815 -5.173 -8.603 7 1HG MET 1 HG2 MET 1 23.718 -5.314 -6.368 8 2HG MET 1 HG1 MET 1 24.054 -6.387 -7.726 9 1HE MET 1 HE1 MET 1 26.289 -3.400 -7.318 10 2HE MET 1 HE2 MET 1 26.579 -4.286 -8.815 11 3HE MET 1 HE3 MET 1 26.139 -5.158 -7.346 12 H THR 2 HN THR 2 19.234 -6.391 -7.411 13 HA THR 2 HA THR 2 17.794 -4.085 -8.495 14 HB THR 2 HB THR 2 16.329 -5.886 -9.522 15 HG1 THR 2 HG1 THR 2 16.650 -7.754 -8.606 16 1HG2 THR 2 HG21 THR 2 17.785 -6.394 -11.300 17 2HG2 THR 2 HG22 THR 2 19.214 -6.200 -10.280 18 3HG2 THR 2 HG23 THR 2 18.246 -4.793 -10.720 19 H THR 3 HN THR 3 15.823 -3.434 -7.778 20 HA THR 3 HA THR 3 15.046 -4.202 -5.142 21 HB THR 3 HB THR 3 13.156 -2.620 -5.510 22 HG1 THR 3 HG1 THR 3 13.063 -3.070 -7.830 23 1HG2 THR 3 HG21 THR 3 14.420 -0.605 -5.678 24 2HG2 THR 3 HG22 THR 3 15.757 -1.450 -6.459 25 3HG2 THR 3 HG23 THR 3 15.369 -1.781 -4.770 26 H SER 4 HN SER 4 13.445 -5.524 -4.465 27 HA SER 4 HA SER 4 12.217 -7.246 -6.460 28 1HB SER 4 HB2 SER 4 12.731 -7.391 -3.541 29 2HB SER 4 HB1 SER 4 11.289 -8.223 -4.123 30 HG SER 4 HG SER 4 13.827 -8.567 -5.323 31 H THR 5 HN THR 5 9.870 -7.965 -5.803 32 HA THR 5 HA THR 5 8.230 -5.632 -6.105 33 HB THR 5 HB THR 5 7.186 -8.406 -5.598 34 HG1 THR 5 HG1 THR 5 8.167 -7.409 -8.063 35 1HG2 THR 5 HG21 THR 5 6.221 -6.167 -7.359 36 2HG2 THR 5 HG22 THR 5 5.505 -6.686 -5.834 37 3HG2 THR 5 HG23 THR 5 5.484 -7.764 -7.229 38 H LEU 6 HN LEU 6 8.964 -7.893 -3.526 39 HA LEU 6 HA LEU 6 6.902 -6.996 -1.766 40 1HB LEU 6 HB2 LEU 6 9.266 -8.784 -1.569 41 2HB LEU 6 HB1 LEU 6 8.629 -8.127 -0.073 42 HG LEU 6 HG LEU 6 7.731 -10.360 -0.587 43 1HD1 LEU 6 HD11 LEU 6 5.372 -8.611 -0.904 44 2HD1 LEU 6 HD12 LEU 6 6.423 -8.293 0.475 45 3HD1 LEU 6 HD13 LEU 6 5.692 -9.885 0.271 46 1HD2 LEU 6 HD21 LEU 6 6.372 -10.800 -2.453 47 2HD2 LEU 6 HD22 LEU 6 7.776 -9.949 -3.097 48 3HD2 LEU 6 HD23 LEU 6 6.250 -9.093 -2.872 49 H GLN 7 HN GLN 7 10.359 -6.300 -2.101 50 HA GLN 7 HA GLN 7 10.518 -4.575 0.144 51 1HB GLN 7 HB2 GLN 7 12.410 -5.754 -1.193 52 2HB GLN 7 HB1 GLN 7 12.327 -4.344 -2.241 53 1HG GLN 7 HG2 GLN 7 13.829 -3.468 -0.851 54 2HG GLN 7 HG1 GLN 7 12.455 -3.190 0.218 55 1HE2 GLN 7 HE21 GLN 7 12.320 -4.278 2.103 56 2HE2 GLN 7 HE22 GLN 7 13.496 -5.416 2.657 57 H LYS 8 HN LYS 8 9.637 -4.112 -3.204 58 HA LYS 8 HA LYS 8 9.838 -1.274 -3.215 59 1HB LYS 8 HB2 LYS 8 8.709 -3.355 -5.006 60 2HB LYS 8 HB1 LYS 8 8.070 -1.727 -5.184 61 1HG LYS 8 HG2 LYS 8 10.922 -1.612 -5.038 62 2HG LYS 8 HG1 LYS 8 10.439 -2.790 -6.260 63 1HD LYS 8 HD2 LYS 8 8.927 -0.267 -6.294 64 2HD LYS 8 HD1 LYS 8 10.640 -0.117 -6.693 65 1HE LYS 8 HE2 LYS 8 9.253 -2.359 -7.990 66 2HE LYS 8 HE1 LYS 8 8.690 -0.760 -8.470 67 1HZ LYS 8 HZ1 LYS 8 10.557 -1.718 -9.819 68 2HZ LYS 8 HZ2 LYS 8 11.555 -1.511 -8.471 69 3HZ LYS 8 HZ3 LYS 8 10.833 -0.168 -9.201 70 H ALA 9 HN ALA 9 7.298 -3.554 -2.402 71 HA ALA 9 HA ALA 9 5.190 -1.646 -2.279 72 1HB ALA 9 HB1 ALA 9 5.211 -4.215 -0.734 73 2HB ALA 9 HB2 ALA 9 5.032 -4.202 -2.489 74 3HB ALA 9 HB3 ALA 9 3.850 -3.375 -1.477 75 H ILE 10 HN ILE 10 7.506 -2.905 0.051 76 HA ILE 10 HA ILE 10 6.296 -1.797 2.361 77 HB ILE 10 HB ILE 10 9.223 -2.422 1.971 78 1HG1 ILE 10 HG12 ILE 10 7.345 -4.334 3.279 79 2HG1 ILE 10 HG11 ILE 10 7.327 -4.241 1.522 80 1HG2 ILE 10 HG21 ILE 10 9.033 -1.236 3.966 81 2HG2 ILE 10 HG22 ILE 10 8.967 -2.921 4.480 82 3HG2 ILE 10 HG23 ILE 10 7.483 -1.974 4.369 83 1HD1 ILE 10 HD11 ILE 10 9.004 -5.684 1.534 84 2HD1 ILE 10 HD12 ILE 10 9.214 -5.519 3.278 85 3HD1 ILE 10 HD13 ILE 10 10.016 -4.393 2.183 86 H ASP 11 HN ASP 11 8.472 -0.530 -0.055 87 HA ASP 11 HA ASP 11 9.296 1.760 1.437 88 1HB ASP 11 HB2 ASP 11 9.596 0.790 -1.352 89 2HB ASP 11 HB1 ASP 11 9.751 2.526 -1.100 90 H LEU 12 HN LEU 12 6.619 1.017 -0.675 91 HA LEU 12 HA LEU 12 5.803 3.715 -1.112 92 1HB LEU 12 HB2 LEU 12 4.696 1.018 -1.645 93 2HB LEU 12 HB1 LEU 12 3.540 2.335 -1.554 94 HG LEU 12 HG LEU 12 4.246 1.879 -3.862 95 1HD1 LEU 12 HD11 LEU 12 3.865 4.280 -2.726 96 2HD1 LEU 12 HD12 LEU 12 4.183 4.056 -4.446 97 3HD1 LEU 12 HD13 LEU 12 5.497 4.501 -3.357 98 1HD2 LEU 12 HD21 LEU 12 6.415 1.096 -3.808 99 2HD2 LEU 12 HD22 LEU 12 6.951 2.346 -2.684 100 3HD2 LEU 12 HD23 LEU 12 6.647 2.749 -4.374 101 H VAL 13 HN VAL 13 5.137 1.296 1.322 102 HA VAL 13 HA VAL 13 2.920 2.698 2.485 103 HB VAL 13 HB VAL 13 4.602 0.539 3.760 104 1HG1 VAL 13 HG11 VAL 13 2.994 1.954 5.153 105 2HG1 VAL 13 HG12 VAL 13 2.826 0.202 5.249 106 3HG1 VAL 13 HG13 VAL 13 1.706 1.142 4.265 107 1HG2 VAL 13 HG21 VAL 13 2.022 0.059 2.311 108 2HG2 VAL 13 HG22 VAL 13 3.269 -1.099 2.776 109 3HG2 VAL 13 HG23 VAL 13 3.564 0.033 1.457 110 H THR 14 HN THR 14 6.380 2.637 2.944 111 HA THR 14 HA THR 14 6.406 3.909 5.490 112 HB THR 14 HB THR 14 8.610 3.918 3.423 113 HG1 THR 14 HG1 THR 14 8.102 1.802 3.714 114 1HG2 THR 14 HG21 THR 14 9.996 3.716 5.572 115 2HG2 THR 14 HG22 THR 14 8.552 4.323 6.383 116 3HG2 THR 14 HG23 THR 14 9.337 5.293 5.136 117 H LYS 15 HN LYS 15 6.683 5.071 2.160 118 HA LYS 15 HA LYS 15 7.132 7.792 2.897 119 1HB LYS 15 HB2 LYS 15 6.678 6.291 0.384 120 2HB LYS 15 HB1 LYS 15 6.242 7.994 0.360 121 1HG LYS 15 HG2 LYS 15 8.406 8.696 0.610 122 2HG LYS 15 HG1 LYS 15 8.903 7.219 1.437 123 1HD LYS 15 HD2 LYS 15 9.839 6.685 -0.534 124 2HD LYS 15 HD1 LYS 15 8.194 6.257 -1.010 125 1HE LYS 15 HE2 LYS 15 7.869 8.464 -1.963 126 2HE LYS 15 HE1 LYS 15 9.471 8.959 -1.419 127 1HZ LYS 15 HZ1 LYS 15 9.637 8.400 -3.697 128 2HZ LYS 15 HZ2 LYS 15 8.813 6.937 -3.486 129 3HZ LYS 15 HZ3 LYS 15 10.366 7.132 -2.845 130 H ALA 16 HN ALA 16 4.314 5.823 2.355 131 HA ALA 16 HA ALA 16 2.464 7.962 2.004 132 1HB ALA 16 HB1 ALA 16 1.338 6.186 1.266 133 2HB ALA 16 HB2 ALA 16 0.993 5.829 2.958 134 3HB ALA 16 HB3 ALA 16 2.367 5.065 2.158 135 H THR 17 HN THR 17 3.289 5.887 4.776 136 HA THR 17 HA THR 17 1.516 7.014 6.615 137 HB THR 17 HB THR 17 2.634 4.930 7.095 138 HG1 THR 17 HG1 THR 17 3.537 6.914 8.906 139 1HG2 THR 17 HG21 THR 17 4.784 5.375 5.998 140 2HG2 THR 17 HG22 THR 17 4.972 4.758 7.639 141 3HG2 THR 17 HG23 THR 17 5.206 6.474 7.310 142 H GLU 18 HN GLU 18 4.894 7.853 5.907 143 HA GLU 18 HA GLU 18 5.135 9.884 7.839 144 1HB GLU 18 HB2 GLU 18 7.095 10.609 6.583 145 2HB GLU 18 HB1 GLU 18 7.067 8.856 6.721 146 1HG GLU 18 HG2 GLU 18 6.245 8.666 4.451 147 2HG GLU 18 HG1 GLU 18 6.188 10.421 4.305 148 H GLU 19 HN GLU 19 3.927 9.894 4.541 149 HA GLU 19 HA GLU 19 3.828 12.693 4.191 150 1HB GLU 19 HB2 GLU 19 2.793 10.318 2.811 151 2HB GLU 19 HB1 GLU 19 1.777 11.742 2.632 152 1HG GLU 19 HG2 GLU 19 3.215 12.734 1.251 153 2HG GLU 19 HG1 GLU 19 4.607 12.298 2.240 154 H ASP 20 HN ASP 20 1.419 10.358 5.345 155 HA ASP 20 HA ASP 20 -0.766 12.042 5.593 156 1HB ASP 20 HB2 ASP 20 -0.289 9.428 6.177 157 2HB ASP 20 HB1 ASP 20 -0.421 10.108 7.797 158 H LYS 21 HN LYS 21 2.070 11.769 7.604 159 HA LYS 21 HA LYS 21 1.001 13.239 9.816 160 1HB LYS 21 HB2 LYS 21 3.584 12.037 9.076 161 2HB LYS 21 HB1 LYS 21 3.709 13.479 10.074 162 1HG LYS 21 HG2 LYS 21 3.275 12.262 11.867 163 2HG LYS 21 HG1 LYS 21 1.689 11.863 11.205 164 1HD LYS 21 HD2 LYS 21 2.311 9.765 10.766 165 2HD LYS 21 HD1 LYS 21 3.787 10.300 9.960 166 1HE LYS 21 HE2 LYS 21 3.433 10.061 12.946 167 2HE LYS 21 HE1 LYS 21 4.217 8.857 11.924 168 1HZ LYS 21 HZ1 LYS 21 6.028 10.185 11.586 169 2HZ LYS 21 HZ2 LYS 21 5.611 10.662 13.153 170 3HZ LYS 21 HZ3 LYS 21 5.179 11.628 11.834 171 H ALA 22 HN ALA 22 2.572 14.052 6.826 172 HA ALA 22 HA ALA 22 2.989 16.816 7.683 173 1HB ALA 22 HB1 ALA 22 4.790 15.621 6.466 174 2HB ALA 22 HB2 ALA 22 4.264 17.103 5.667 175 3HB ALA 22 HB3 ALA 22 3.732 15.535 5.058 176 H LYS 23 HN LYS 23 0.301 15.623 7.208 177 HA LYS 23 HA LYS 23 -1.690 16.189 6.265 178 1HB LYS 23 HB2 LYS 23 -0.569 18.493 7.022 179 2HB LYS 23 HB1 LYS 23 -0.631 18.792 5.290 180 1HG LYS 23 HG2 LYS 23 -2.869 19.016 5.272 181 2HG LYS 23 HG1 LYS 23 -3.113 17.761 6.490 182 1HD LYS 23 HD2 LYS 23 -2.492 19.284 8.251 183 2HD LYS 23 HD1 LYS 23 -2.067 20.529 7.075 184 1HE LYS 23 HE2 LYS 23 -4.521 20.276 6.289 185 2HE LYS 23 HE1 LYS 23 -4.771 19.505 7.855 186 1HZ LYS 23 HZ1 LYS 23 -4.989 22.120 7.462 187 2HZ LYS 23 HZ2 LYS 23 -3.356 22.043 7.894 188 3HZ LYS 23 HZ3 LYS 23 -4.537 21.445 8.945 189 H ASN 24 HN ASN 24 -0.165 14.614 4.646 190 HA ASN 24 HA ASN 24 -0.569 15.760 1.962 191 1HB ASN 24 HB2 ASN 24 1.430 13.758 2.991 192 2HB ASN 24 HB1 ASN 24 1.056 13.880 1.275 193 1HD2 ASN 24 HD21 ASN 24 1.960 15.458 0.099 194 2HD2 ASN 24 HD22 ASN 24 2.997 16.685 0.733 195 H TYR 25 HN TYR 25 -2.780 14.776 3.210 196 HA TYR 25 HA TYR 25 -3.370 12.081 2.960 197 1HB TYR 25 HB2 TYR 25 -5.101 14.535 2.727 198 2HB TYR 25 HB1 TYR 25 -5.773 12.912 2.614 199 HD1 TYR 25 HD1 TYR 25 -6.232 11.660 4.554 200 HD2 TYR 25 HD2 TYR 25 -3.881 15.194 4.846 201 HE1 TYR 25 HE1 TYR 25 -6.368 11.540 7.007 202 HE2 TYR 25 HE2 TYR 25 -4.009 15.084 7.300 203 HH TYR 25 HH TYR 25 -5.579 14.083 9.018 204 H GLU 26 HN GLU 26 -3.188 14.554 0.505 205 HA GLU 26 HA GLU 26 -4.566 13.141 -1.535 206 1HB GLU 26 HB2 GLU 26 -2.852 15.554 -1.373 207 2HB GLU 26 HB1 GLU 26 -2.946 14.770 -2.945 208 1HG GLU 26 HG2 GLU 26 -5.545 15.104 -1.686 209 2HG GLU 26 HG1 GLU 26 -4.701 16.628 -1.954 210 H GLU 27 HN GLU 27 -1.102 13.580 -0.847 211 HA GLU 27 HA GLU 27 -0.240 11.858 -2.940 212 1HB GLU 27 HB2 GLU 27 1.042 13.716 -1.585 213 2HB GLU 27 HB1 GLU 27 1.440 12.375 -0.520 214 1HG GLU 27 HG2 GLU 27 3.124 11.880 -1.860 215 2HG GLU 27 HG1 GLU 27 1.953 11.452 -3.107 216 H ALA 28 HN ALA 28 -0.945 11.414 0.475 217 HA ALA 28 HA ALA 28 0.172 8.882 0.849 218 1HB ALA 28 HB1 ALA 28 -0.562 10.139 2.739 219 2HB ALA 28 HB2 ALA 28 -1.510 8.654 2.686 220 3HB ALA 28 HB3 ALA 28 -2.222 10.174 2.144 221 H LEU 29 HN LEU 29 -2.980 9.838 -0.424 222 HA LEU 29 HA LEU 29 -4.165 7.303 -0.519 223 1HB LEU 29 HB2 LEU 29 -5.342 9.471 -0.853 224 2HB LEU 29 HB1 LEU 29 -4.596 9.595 -2.435 225 HG LEU 29 HG LEU 29 -5.744 7.441 -3.050 226 1HD1 LEU 29 HD11 LEU 29 -7.767 6.919 -1.640 227 2HD1 LEU 29 HD12 LEU 29 -7.046 7.923 -0.383 228 3HD1 LEU 29 HD13 LEU 29 -6.209 6.475 -0.943 229 1HD2 LEU 29 HD21 LEU 29 -7.542 9.728 -2.254 230 2HD2 LEU 29 HD22 LEU 29 -7.883 8.496 -3.470 231 3HD2 LEU 29 HD23 LEU 29 -6.578 9.653 -3.730 232 H ARG 30 HN ARG 30 -2.253 9.041 -2.956 233 HA ARG 30 HA ARG 30 -2.410 6.957 -4.892 234 1HB ARG 30 HB2 ARG 30 -1.138 9.578 -4.654 235 2HB ARG 30 HB1 ARG 30 -0.154 8.419 -5.536 236 1HG ARG 30 HG2 ARG 30 -1.398 9.409 -7.207 237 2HG ARG 30 HG1 ARG 30 -2.317 7.942 -6.864 238 1HD ARG 30 HD2 ARG 30 -4.078 9.308 -6.670 239 2HD ARG 30 HD1 ARG 30 -3.399 9.730 -5.099 240 HE ARG 30 HE ARG 30 -2.220 11.365 -7.039 241 1HH1 ARG 30 HH11 ARG 30 -5.334 10.845 -5.553 242 2HH1 ARG 30 HH12 ARG 30 -5.852 12.483 -5.773 243 1HH2 ARG 30 HH21 ARG 30 -2.898 13.519 -7.328 244 2HH2 ARG 30 HH22 ARG 30 -4.470 14.001 -6.781 245 H LEU 31 HN LEU 31 -0.152 7.780 -2.334 246 HA LEU 31 HA LEU 31 1.892 5.972 -3.137 247 1HB LEU 31 HB2 LEU 31 1.330 7.693 -0.811 248 2HB LEU 31 HB1 LEU 31 2.305 6.277 -0.468 249 HG LEU 31 HG LEU 31 3.625 8.332 -0.964 250 1HD1 LEU 31 HD11 LEU 31 4.273 5.841 -1.462 251 2HD1 LEU 31 HD12 LEU 31 5.302 7.168 -2.003 252 3HD1 LEU 31 HD13 LEU 31 4.205 6.383 -3.139 253 1HD2 LEU 31 HD21 LEU 31 1.837 8.760 -2.958 254 2HD2 LEU 31 HD22 LEU 31 3.189 8.071 -3.855 255 3HD2 LEU 31 HD23 LEU 31 3.430 9.511 -2.865 256 H TYR 32 HN TYR 32 -0.949 5.715 -1.102 257 HA TYR 32 HA TYR 32 -0.245 3.162 -0.005 258 1HB TYR 32 HB2 TYR 32 -2.354 5.104 0.337 259 2HB TYR 32 HB1 TYR 32 -3.033 3.487 0.187 260 HD1 TYR 32 HD1 TYR 32 -2.464 1.744 1.827 261 HD2 TYR 32 HD2 TYR 32 -1.059 5.737 2.259 262 HE1 TYR 32 HE1 TYR 32 -1.908 1.289 4.180 263 HE2 TYR 32 HE2 TYR 32 -0.500 5.293 4.612 264 HH TYR 32 HH TYR 32 -0.021 2.545 5.903 265 H GLN 33 HN GLN 33 -2.445 4.275 -2.558 266 HA GLN 33 HA GLN 33 -3.531 1.791 -3.239 267 1HB GLN 33 HB2 GLN 33 -3.134 4.358 -4.742 268 2HB GLN 33 HB1 GLN 33 -3.771 2.941 -5.566 269 1HG GLN 33 HG2 GLN 33 -5.232 3.212 -3.177 270 2HG GLN 33 HG1 GLN 33 -5.119 4.818 -3.893 271 1HE2 GLN 33 HE21 GLN 33 -6.525 5.315 -5.422 272 2HE2 GLN 33 HE22 GLN 33 -7.501 4.195 -6.303 273 H HIS 34 HN HIS 34 -0.509 3.313 -4.153 274 HA HIS 34 HA HIS 34 0.156 1.586 -6.286 275 1HB HIS 34 HB2 HIS 34 1.558 3.592 -4.632 276 2HB HIS 34 HB1 HIS 34 2.586 2.356 -5.349 277 HD1 HIS 34 HD1 HIS 34 3.342 2.822 -7.660 278 HD2 HIS 34 HD2 HIS 34 -0.109 4.930 -6.703 279 HE1 HIS 34 HE1 HIS 34 2.883 4.297 -9.645 280 HE2 HIS 34 HE2 HIS 34 0.837 5.622 -9.008 281 H ALA 35 HN ALA 35 1.109 1.557 -2.856 282 HA ALA 35 HA ALA 35 2.707 -0.727 -2.930 283 1HB ALA 35 HB1 ALA 35 2.858 -0.490 -0.692 284 2HB ALA 35 HB2 ALA 35 1.114 -0.326 -0.482 285 3HB ALA 35 HB3 ALA 35 2.072 1.055 -1.017 286 H VAL 36 HN VAL 36 -0.762 -0.385 -2.841 287 HA VAL 36 HA VAL 36 -1.343 -3.061 -2.051 288 HB VAL 36 HB VAL 36 -3.132 -1.180 -3.595 289 1HG1 VAL 36 HG11 VAL 36 -4.227 -3.080 -1.628 290 2HG1 VAL 36 HG12 VAL 36 -3.545 -3.797 -3.088 291 3HG1 VAL 36 HG13 VAL 36 -4.838 -2.605 -3.212 292 1HG2 VAL 36 HG21 VAL 36 -3.509 -1.425 -0.695 293 2HG2 VAL 36 HG22 VAL 36 -3.586 -0.003 -1.735 294 3HG2 VAL 36 HG23 VAL 36 -2.026 -0.605 -1.178 295 H GLU 37 HN GLU 37 -0.910 -1.434 -5.141 296 HA GLU 37 HA GLU 37 -1.828 -3.588 -6.753 297 1HB GLU 37 HB2 GLU 37 -0.212 -1.114 -7.277 298 2HB GLU 37 HB1 GLU 37 -0.415 -2.327 -8.534 299 1HG GLU 37 HG2 GLU 37 -2.853 -1.365 -7.158 300 2HG GLU 37 HG1 GLU 37 -2.048 -0.259 -8.269 301 H TYR 38 HN TYR 38 1.334 -2.618 -5.532 302 HA TYR 38 HA TYR 38 2.862 -4.461 -7.029 303 1HB TYR 38 HB2 TYR 38 3.315 -2.779 -4.615 304 2HB TYR 38 HB1 TYR 38 4.433 -4.108 -4.900 305 HD1 TYR 38 HD1 TYR 38 6.026 -4.026 -6.689 306 HD2 TYR 38 HD2 TYR 38 3.138 -0.934 -6.244 307 HE1 TYR 38 HE1 TYR 38 7.270 -2.641 -8.295 308 HE2 TYR 38 HE2 TYR 38 4.374 0.461 -7.849 309 HH TYR 38 HH TYR 38 6.694 -0.706 -9.894 310 H PHE 39 HN PHE 39 1.194 -4.683 -3.943 311 HA PHE 39 HA PHE 39 2.324 -7.161 -3.143 312 1HB PHE 39 HB2 PHE 39 0.002 -5.498 -2.283 313 2HB PHE 39 HB1 PHE 39 0.053 -7.180 -1.764 314 HD1 PHE 39 HD1 PHE 39 2.631 -7.823 -1.004 315 HD2 PHE 39 HD2 PHE 39 0.737 -4.026 -0.701 316 HE1 PHE 39 HE1 PHE 39 4.157 -7.213 0.827 317 HE2 PHE 39 HE2 PHE 39 2.259 -3.407 1.130 318 HZ PHE 39 HZ PHE 39 3.973 -5.002 1.896 319 H LEU 40 HN LEU 40 -0.814 -6.338 -4.613 320 HA LEU 40 HA LEU 40 -1.784 -8.950 -4.841 321 1HB LEU 40 HB2 LEU 40 -2.350 -6.409 -6.329 322 2HB LEU 40 HB1 LEU 40 -3.118 -7.912 -6.806 323 HG LEU 40 HG LEU 40 -3.317 -6.762 -4.026 324 1HD1 LEU 40 HD11 LEU 40 -4.448 -5.148 -5.198 325 2HD1 LEU 40 HD12 LEU 40 -5.737 -6.319 -4.920 326 3HD1 LEU 40 HD13 LEU 40 -4.924 -6.257 -6.483 327 1HD2 LEU 40 HD21 LEU 40 -3.774 -9.292 -4.803 328 2HD2 LEU 40 HD22 LEU 40 -5.349 -8.580 -5.151 329 3HD2 LEU 40 HD23 LEU 40 -4.682 -8.490 -3.521 330 H HIS 41 HN HIS 41 0.242 -7.041 -7.007 331 HA HIS 41 HA HIS 41 0.200 -8.878 -9.167 332 1HB HIS 41 HB2 HIS 41 0.877 -6.427 -9.247 333 2HB HIS 41 HB1 HIS 41 2.419 -6.926 -8.560 334 HD1 HIS 41 HD1 HIS 41 0.912 -6.261 -11.700 335 HD2 HIS 41 HD2 HIS 41 3.618 -9.092 -10.310 336 HE1 HIS 41 HE1 HIS 41 2.076 -7.138 -13.750 337 HE2 HIS 41 HE2 HIS 41 3.643 -8.915 -12.890 338 H ALA 42 HN ALA 42 2.119 -8.606 -6.264 339 HA ALA 42 HA ALA 42 4.202 -10.370 -7.071 340 1HB ALA 42 HB1 ALA 42 4.958 -10.270 -4.826 341 2HB ALA 42 HB2 ALA 42 3.368 -9.783 -4.240 342 3HB ALA 42 HB3 ALA 42 4.328 -8.671 -5.217 343 H ILE 43 HN ILE 43 1.127 -10.790 -5.403 344 HA ILE 43 HA ILE 43 1.563 -13.510 -4.683 345 HB ILE 43 HB ILE 43 -1.095 -12.120 -5.018 346 1HG1 ILE 43 HG12 ILE 43 0.318 -12.390 -2.389 347 2HG1 ILE 43 HG11 ILE 43 0.748 -11.060 -3.464 348 1HG2 ILE 43 HG21 ILE 43 -0.208 -14.590 -3.569 349 2HG2 ILE 43 HG22 ILE 43 -1.462 -14.430 -4.798 350 3HG2 ILE 43 HG23 ILE 43 -1.716 -13.760 -3.185 351 1HD1 ILE 43 HD11 ILE 43 -0.896 -9.951 -2.473 352 2HD1 ILE 43 HD12 ILE 43 -1.578 -11.410 -1.765 353 3HD1 ILE 43 HD13 ILE 43 -1.994 -10.950 -3.417 354 H LYS 44 HN LYS 44 -0.182 -11.920 -7.339 355 HA LYS 44 HA LYS 44 -1.221 -14.230 -8.535 356 1HB LYS 44 HB2 LYS 44 -1.483 -11.600 -9.023 357 2HB LYS 44 HB1 LYS 44 -0.363 -12.020 -10.310 358 1HG LYS 44 HG2 LYS 44 -2.522 -13.920 -10.160 359 2HG LYS 44 HG1 LYS 44 -3.131 -12.280 -10.330 360 1HD LYS 44 HD2 LYS 44 -2.349 -12.080 -12.430 361 2HD LYS 44 HD1 LYS 44 -0.856 -12.940 -12.070 362 1HE LYS 44 HE2 LYS 44 -3.259 -14.620 -12.010 363 2HE LYS 44 HE1 LYS 44 -2.909 -13.910 -13.590 364 1HZ LYS 44 HZ1 LYS 44 -1.610 -15.730 -13.750 365 2HZ LYS 44 HZ2 LYS 44 -1.427 -15.910 -12.080 366 3HZ LYS 44 HZ3 LYS 44 -0.497 -14.770 -12.920 367 H TYR 45 HN TYR 45 1.779 -12.460 -9.273 368 HA TYR 45 HA TYR 45 2.646 -14.470 -11.130 369 1HB TYR 45 HB2 TYR 45 3.787 -11.910 -10.090 370 2HB TYR 45 HB1 TYR 45 4.841 -13.040 -10.920 371 HD1 TYR 45 HD1 TYR 45 1.491 -11.450 -11.390 372 HD2 TYR 45 HD2 TYR 45 5.118 -12.760 -13.190 373 HE1 TYR 45 HE1 TYR 45 0.734 -10.560 -13.560 374 HE2 TYR 45 HE2 TYR 45 4.371 -11.870 -15.360 375 HH TYR 45 HH TYR 45 2.044 -9.709 -15.760 376 H GLU 46 HN GLU 46 4.145 -13.190 -8.161 377 HA GLU 46 HA GLU 46 5.590 -15.700 -7.838 378 1HB GLU 46 HB2 GLU 46 5.812 -12.960 -6.651 379 2HB GLU 46 HB1 GLU 46 6.503 -14.330 -5.785 380 1HG GLU 46 HG2 GLU 46 7.455 -14.720 -8.311 381 2HG GLU 46 HG1 GLU 46 7.429 -12.960 -8.192 382 H ALA 47 HN ALA 47 3.854 -17.070 -7.256 383 HA ALA 47 HA ALA 47 2.368 -16.460 -4.831 384 1HB ALA 47 HB1 ALA 47 2.215 -18.910 -6.575 385 2HB ALA 47 HB2 ALA 47 1.240 -17.460 -6.794 386 3HB ALA 47 HB3 ALA 47 1.069 -18.420 -5.327 387 H HIS 48 HN HIS 48 3.403 -16.790 -2.972 388 HA HIS 48 HA HIS 48 5.355 -18.930 -2.727 389 1HB HIS 48 HB2 HIS 48 4.839 -16.410 -1.398 390 2HB HIS 48 HB1 HIS 48 5.005 -17.710 -0.220 391 HD1 HIS 48 HD1 HIS 48 6.915 -16.380 -3.232 392 HD2 HIS 48 HD2 HIS 48 7.578 -18.240 0.426 393 HE1 HIS 48 HE1 HIS 48 9.414 -16.500 -2.981 394 HE2 HIS 48 HE2 HIS 48 9.792 -17.690 -0.796 395 H SER 49 HN SER 49 5.127 -19.690 -0.114 396 HA SER 49 HA SER 49 3.150 -21.680 -0.223 397 1HB SER 49 HB2 SER 49 5.388 -21.340 1.253 398 2HB SER 49 HB1 SER 49 4.169 -20.910 2.452 399 HG SER 49 HG SER 49 4.716 -23.190 2.369 400 H ASP 50 HN ASP 50 1.563 -22.000 1.664 401 HA ASP 50 HA ASP 50 -0.440 -20.060 1.494 402 1HB ASP 50 HB2 ASP 50 0.020 -22.470 3.197 403 2HB ASP 50 HB1 ASP 50 -1.248 -21.340 3.676 404 H LYS 51 HN LYS 51 2.111 -20.550 3.863 405 HA LYS 51 HA LYS 51 1.158 -18.780 5.835 406 1HB LYS 51 HB2 LYS 51 3.732 -20.080 5.190 407 2HB LYS 51 HB1 LYS 51 3.843 -18.620 6.156 408 1HG LYS 51 HG2 LYS 51 1.889 -19.890 7.486 409 2HG LYS 51 HG1 LYS 51 2.777 -21.270 6.852 410 1HD LYS 51 HD2 LYS 51 4.043 -21.000 8.694 411 2HD LYS 51 HD1 LYS 51 4.815 -19.730 7.747 412 1HE LYS 51 HE2 LYS 51 3.745 -18.040 8.887 413 2HE LYS 51 HE1 LYS 51 2.381 -19.070 9.334 414 1HZ LYS 51 HZ1 LYS 51 3.752 -18.560 11.247 415 2HZ LYS 51 HZ2 LYS 51 5.114 -19.210 10.486 416 3HZ LYS 51 HZ3 LYS 51 3.821 -20.220 10.905 417 H ALA 52 HN ALA 52 3.472 -18.260 3.181 418 HA ALA 52 HA ALA 52 3.763 -15.470 3.729 419 1HB ALA 52 HB1 ALA 52 4.789 -17.380 1.742 420 2HB ALA 52 HB2 ALA 52 5.621 -16.100 2.623 421 3HB ALA 52 HB3 ALA 52 4.663 -15.710 1.195 422 H LYS 53 HN LYS 53 1.791 -17.390 1.539 423 HA LYS 53 HA LYS 53 0.814 -15.210 0.006 424 1HB LYS 53 HB2 LYS 53 0.774 -17.810 -0.435 425 2HB LYS 53 HB1 LYS 53 -0.786 -17.710 0.368 426 1HG LYS 53 HG2 LYS 53 -1.358 -15.890 -1.302 427 2HG LYS 53 HG1 LYS 53 0.084 -16.390 -2.184 428 1HD LYS 53 HD2 LYS 53 -0.857 -18.710 -2.213 429 2HD LYS 53 HD1 LYS 53 -2.348 -18.050 -1.539 430 1HE LYS 53 HE2 LYS 53 -1.891 -16.390 -3.658 431 2HE LYS 53 HE1 LYS 53 -1.294 -17.930 -4.268 432 1HZ LYS 53 HZ1 LYS 53 -3.604 -17.720 -4.795 433 2HZ LYS 53 HZ2 LYS 53 -4.004 -17.390 -3.186 434 3HZ LYS 53 HZ3 LYS 53 -3.442 -18.920 -3.618 435 H GLU 54 HN GLU 54 -0.191 -16.740 2.990 436 HA GLU 54 HA GLU 54 -2.760 -15.490 3.100 437 1HB GLU 54 HB2 GLU 54 -1.071 -17.060 4.999 438 2HB GLU 54 HB1 GLU 54 -2.431 -16.140 5.632 439 1HG GLU 54 HG2 GLU 54 -3.128 -17.730 3.298 440 2HG GLU 54 HG1 GLU 54 -2.517 -18.700 4.637 441 H SER 55 HN SER 55 0.408 -14.800 4.522 442 HA SER 55 HA SER 55 -0.346 -12.670 6.160 443 1HB SER 55 HB2 SER 55 2.210 -13.590 4.932 444 2HB SER 55 HB1 SER 55 2.160 -11.960 5.607 445 HG SER 55 HG SER 55 1.413 -14.320 6.995 446 H ILE 56 HN ILE 56 0.610 -12.750 2.759 447 HA ILE 56 HA ILE 56 0.626 -9.929 2.405 448 HB ILE 56 HB ILE 56 0.208 -12.020 0.270 449 1HG1 ILE 56 HG12 ILE 56 2.887 -10.840 0.850 450 2HG1 ILE 56 HG11 ILE 56 2.302 -12.120 1.907 451 1HG2 ILE 56 HG21 ILE 56 1.564 -9.370 -0.052 452 2HG2 ILE 56 HG22 ILE 56 -0.188 -9.521 -0.179 453 3HG2 ILE 56 HG23 ILE 56 0.856 -10.410 -1.285 454 1HD1 ILE 56 HD11 ILE 56 3.452 -13.330 0.357 455 2HD1 ILE 56 HD12 ILE 56 3.064 -12.220 -0.960 456 3HD1 ILE 56 HD13 ILE 56 1.842 -13.340 -0.361 457 H ARG 57 HN ARG 57 -1.803 -12.440 1.890 458 HA ARG 57 HA ARG 57 -3.728 -10.810 0.637 459 1HB ARG 57 HB2 ARG 57 -3.543 -13.440 1.001 460 2HB ARG 57 HB1 ARG 57 -4.616 -13.080 2.344 461 1HG ARG 57 HG2 ARG 57 -6.224 -13.370 0.811 462 2HG ARG 57 HG1 ARG 57 -5.838 -11.710 0.365 463 1HD ARG 57 HD2 ARG 57 -4.376 -12.470 -1.390 464 2HD ARG 57 HD1 ARG 57 -4.572 -14.150 -0.882 465 HE ARG 57 HE ARG 57 -6.568 -14.220 -2.004 466 1HH1 ARG 57 HH11 ARG 57 -5.582 -10.890 -1.662 467 2HH1 ARG 57 HH12 ARG 57 -6.824 -10.280 -2.706 468 1HH2 ARG 57 HH21 ARG 57 -8.202 -13.420 -3.376 469 2HH2 ARG 57 HH22 ARG 57 -8.312 -11.720 -3.678 470 H ALA 58 HN ALA 58 -3.074 -11.560 4.018 471 HA ALA 58 HA ALA 58 -5.401 -10.270 5.042 472 1HB ALA 58 HB1 ALA 58 -4.374 -11.950 6.376 473 2HB ALA 58 HB2 ALA 58 -4.190 -10.420 7.228 474 3HB ALA 58 HB3 ALA 58 -2.825 -11.110 6.352 475 H LYS 59 HN LYS 59 -2.172 -9.221 4.227 476 HA LYS 59 HA LYS 59 -2.319 -6.731 5.630 477 1HB LYS 59 HB2 LYS 59 -0.379 -8.157 4.008 478 2HB LYS 59 HB1 LYS 59 -0.419 -6.447 3.603 479 1HG LYS 59 HG2 LYS 59 0.723 -5.931 5.426 480 2HG LYS 59 HG1 LYS 59 -0.444 -6.766 6.451 481 1HD LYS 59 HD2 LYS 59 0.932 -8.848 5.326 482 2HD LYS 59 HD1 LYS 59 2.191 -7.625 5.509 483 1HE LYS 59 HE2 LYS 59 1.408 -7.354 7.894 484 2HE LYS 59 HE1 LYS 59 0.418 -8.792 7.644 485 1HZ LYS 59 HZ1 LYS 59 2.521 -9.953 7.001 486 2HZ LYS 59 HZ2 LYS 59 2.434 -9.491 8.626 487 3HZ LYS 59 HZ3 LYS 59 3.374 -8.595 7.543 488 H CYS 60 HN CYS 60 -3.021 -7.816 2.362 489 HA CYS 60 HA CYS 60 -3.278 -5.297 1.144 490 1HB CYS 60 HB2 CYS 60 -4.187 -8.061 0.530 491 2HB CYS 60 HB1 CYS 60 -4.999 -6.746 -0.311 492 HG CYS 60 HG CYS 60 -2.053 -7.571 -0.699 493 H VAL 61 HN VAL 61 -5.486 -7.197 3.088 494 HA VAL 61 HA VAL 61 -7.842 -5.743 2.484 495 HB VAL 61 HB VAL 61 -7.266 -7.236 5.043 496 1HG1 VAL 61 HG11 VAL 61 -9.782 -6.376 3.642 497 2HG1 VAL 61 HG12 VAL 61 -9.260 -6.012 5.288 498 3HG1 VAL 61 HG13 VAL 61 -9.769 -7.646 4.865 499 1HG2 VAL 61 HG21 VAL 61 -8.663 -8.999 3.571 500 2HG2 VAL 61 HG22 VAL 61 -6.901 -8.971 3.640 501 3HG2 VAL 61 HG23 VAL 61 -7.743 -8.202 2.295 502 H GLN 62 HN GLN 62 -5.459 -5.484 5.099 503 HA GLN 62 HA GLN 62 -6.808 -3.323 6.396 504 1HB GLN 62 HB2 GLN 62 -4.919 -5.078 7.200 505 2HB GLN 62 HB1 GLN 62 -3.906 -3.683 6.853 506 1HG GLN 62 HG2 GLN 62 -4.435 -3.506 9.120 507 2HG GLN 62 HG1 GLN 62 -5.495 -2.352 8.313 508 1HE2 GLN 62 HE21 GLN 62 -6.943 -2.394 10.042 509 2HE2 GLN 62 HE22 GLN 62 -8.003 -3.732 10.313 510 H TYR 63 HN TYR 63 -4.352 -3.596 3.930 511 HA TYR 63 HA TYR 63 -3.416 -0.921 4.057 512 1HB TYR 63 HB2 TYR 63 -3.268 -3.099 1.994 513 2HB TYR 63 HB1 TYR 63 -2.704 -1.474 1.618 514 HD1 TYR 63 HD1 TYR 63 -1.444 -0.652 4.135 515 HD2 TYR 63 HD2 TYR 63 -1.354 -4.408 2.139 516 HE1 TYR 63 HE1 TYR 63 0.718 -1.157 5.194 517 HE2 TYR 63 HE2 TYR 63 0.808 -4.923 3.193 518 HH TYR 63 HH TYR 63 2.078 -4.243 5.216 519 H LEU 64 HN LEU 64 -5.968 -2.517 2.220 520 HA LEU 64 HA LEU 64 -6.594 -0.220 0.635 521 1HB LEU 64 HB2 LEU 64 -7.894 -2.872 1.126 522 2HB LEU 64 HB1 LEU 64 -8.778 -1.609 0.290 523 HG LEU 64 HG LEU 64 -6.061 -2.248 -0.723 524 1HD1 LEU 64 HD11 LEU 64 -7.244 -4.441 -0.199 525 2HD1 LEU 64 HD12 LEU 64 -6.685 -4.204 -1.854 526 3HD1 LEU 64 HD13 LEU 64 -8.390 -3.992 -1.460 527 1HD2 LEU 64 HD21 LEU 64 -7.533 -2.057 -2.879 528 2HD2 LEU 64 HD22 LEU 64 -7.062 -0.611 -1.986 529 3HD2 LEU 64 HD23 LEU 64 -8.677 -1.287 -1.781 530 H ASP 65 HN ASP 65 -7.640 -1.472 3.719 531 HA ASP 65 HA ASP 65 -10.020 -0.004 3.983 532 1HB ASP 65 HB2 ASP 65 -8.851 -1.931 5.457 533 2HB ASP 65 HB1 ASP 65 -8.442 -0.522 6.432 534 H ARG 66 HN ARG 66 -6.672 0.805 4.614 535 HA ARG 66 HA ARG 66 -7.306 3.287 5.930 536 1HB ARG 66 HB2 ARG 66 -4.751 2.010 4.989 537 2HB ARG 66 HB1 ARG 66 -4.780 3.661 5.593 538 1HG ARG 66 HG2 ARG 66 -5.951 1.450 7.224 539 2HG ARG 66 HG1 ARG 66 -4.206 1.714 7.199 540 1HD ARG 66 HD2 ARG 66 -6.077 3.991 7.718 541 2HD ARG 66 HD1 ARG 66 -5.651 2.877 9.015 542 HE ARG 66 HE ARG 66 -3.973 4.890 7.837 543 1HH1 ARG 66 HH11 ARG 66 -4.018 1.866 9.578 544 2HH1 ARG 66 HH12 ARG 66 -2.439 2.087 10.253 545 1HH2 ARG 66 HH21 ARG 66 -1.896 5.182 8.722 546 2HH2 ARG 66 HH22 ARG 66 -1.233 3.970 9.768 547 H ALA 67 HN ALA 67 -6.503 2.238 2.693 548 HA ALA 67 HA ALA 67 -5.820 4.703 1.560 549 1HB ALA 67 HB1 ALA 67 -7.336 2.740 -0.075 550 2HB ALA 67 HB2 ALA 67 -5.794 2.234 0.617 551 3HB ALA 67 HB3 ALA 67 -5.864 3.634 -0.454 552 H GLU 68 HN GLU 68 -8.934 3.280 2.289 553 HA GLU 68 HA GLU 68 -10.440 5.188 0.771 554 1HB GLU 68 HB2 GLU 68 -11.270 3.235 2.922 555 2HB GLU 68 HB1 GLU 68 -12.390 4.207 1.974 556 1HG GLU 68 HG2 GLU 68 -10.620 2.800 0.226 557 2HG GLU 68 HG1 GLU 68 -11.350 1.674 1.363 558 H LYS 69 HN LYS 69 -9.694 4.735 4.210 559 HA LYS 69 HA LYS 69 -11.210 6.843 5.225 560 1HB LYS 69 HB2 LYS 69 -9.889 4.966 6.444 561 2HB LYS 69 HB1 LYS 69 -8.554 6.109 6.401 562 1HG LYS 69 HG2 LYS 69 -10.000 7.758 7.561 563 2HG LYS 69 HG1 LYS 69 -11.230 6.501 7.714 564 1HD LYS 69 HD2 LYS 69 -10.120 5.451 9.372 565 2HD LYS 69 HD1 LYS 69 -8.551 5.725 8.628 566 1HE LYS 69 HE2 LYS 69 -8.677 8.092 9.379 567 2HE LYS 69 HE1 LYS 69 -10.160 7.698 10.234 568 1HZ LYS 69 HZ1 LYS 69 -8.622 5.843 11.247 569 2HZ LYS 69 HZ2 LYS 69 -8.675 7.402 11.900 570 3HZ LYS 69 HZ3 LYS 69 -7.411 6.962 10.866 571 H LEU 70 HN LEU 70 -8.127 6.836 3.615 572 HA LEU 70 HA LEU 70 -7.345 9.463 4.404 573 1HB LEU 70 HB2 LEU 70 -6.452 7.791 2.054 574 2HB LEU 70 HB1 LEU 70 -5.670 9.260 2.606 575 HG LEU 70 HG LEU 70 -5.978 7.004 4.534 576 1HD1 LEU 70 HD11 LEU 70 -3.507 7.005 2.938 577 2HD1 LEU 70 HD12 LEU 70 -4.949 6.412 2.113 578 3HD1 LEU 70 HD13 LEU 70 -4.423 5.660 3.618 579 1HD2 LEU 70 HD21 LEU 70 -4.963 8.695 5.645 580 2HD2 LEU 70 HD22 LEU 70 -4.306 9.415 4.175 581 3HD2 LEU 70 HD23 LEU 70 -3.523 8.006 4.893 582 H LYS 71 HN LYS 71 -8.809 8.120 1.458 583 HA LYS 71 HA LYS 71 -9.023 10.649 0.158 584 1HB LYS 71 HB2 LYS 71 -10.490 9.413 -1.438 585 2HB LYS 71 HB1 LYS 71 -8.917 8.675 -1.198 586 1HG LYS 71 HG2 LYS 71 -9.790 6.899 0.011 587 2HG LYS 71 HG1 LYS 71 -11.280 7.764 0.391 588 1HD LYS 71 HD2 LYS 71 -12.130 6.489 -1.263 589 2HD LYS 71 HD1 LYS 71 -11.410 7.720 -2.305 590 1HE LYS 71 HE2 LYS 71 -9.459 6.374 -2.645 591 2HE LYS 71 HE1 LYS 71 -10.000 5.195 -1.455 592 1HZ LYS 71 HZ1 LYS 71 -11.460 5.808 -3.968 593 2HZ LYS 71 HZ2 LYS 71 -11.790 4.562 -2.875 594 3HZ LYS 71 HZ3 LYS 71 -10.370 4.521 -3.794 595 H ASP 72 HN ASP 72 -11.130 8.727 2.192 596 HA ASP 72 HA ASP 72 -13.540 10.078 1.698 597 1HB ASP 72 HB2 ASP 72 -12.530 8.132 3.607 598 2HB ASP 72 HB1 ASP 72 -13.650 9.265 4.365 599 H TYR 73 HN TYR 73 -10.790 10.887 3.689 600 HA TYR 73 HA TYR 73 -12.170 12.905 5.205 601 1HB TYR 73 HB2 TYR 73 -10.250 11.737 6.164 602 2HB TYR 73 HB1 TYR 73 -9.216 12.342 4.878 603 HD1 TYR 73 HD1 TYR 73 -10.670 13.024 8.100 604 HD2 TYR 73 HD2 TYR 73 -8.773 14.820 4.743 605 HE1 TYR 73 HE1 TYR 73 -10.150 15.005 9.461 606 HE2 TYR 73 HE2 TYR 73 -8.247 16.805 6.093 607 HH TYR 73 HH TYR 73 -7.991 17.447 8.404 608 H LEU 74 HN LEU 74 -9.744 12.972 2.591 609 HA LEU 74 HA LEU 74 -9.653 15.773 2.364 610 1HB LEU 74 HB2 LEU 74 -8.663 15.350 0.123 611 2HB LEU 74 HB1 LEU 74 -7.883 14.483 1.432 612 HG LEU 74 HG LEU 74 -9.512 12.543 0.680 613 1HD1 LEU 74 HD11 LEU 74 -10.210 14.426 -1.177 614 2HD1 LEU 74 HD12 LEU 74 -10.460 12.687 -1.336 615 3HD1 LEU 74 HD13 LEU 74 -9.041 13.447 -2.053 616 1HD2 LEU 74 HD21 LEU 74 -6.843 13.397 -0.256 617 2HD2 LEU 74 HD22 LEU 74 -7.627 12.105 -1.166 618 3HD2 LEU 74 HD23 LEU 74 -7.341 11.917 0.564 619 H ARG 75 HN ARG 75 -11.600 13.359 0.640 620 HA ARG 75 HA ARG 75 -12.790 15.129 -1.182 621 1HB ARG 75 HB2 ARG 75 -14.380 13.411 -1.629 622 2HB ARG 75 HB1 ARG 75 -12.850 12.618 -1.293 623 1HG ARG 75 HG2 ARG 75 -13.570 11.819 0.767 624 2HG ARG 75 HG1 ARG 75 -14.890 12.991 0.870 625 1HD ARG 75 HD2 ARG 75 -16.080 11.138 0.289 626 2HD ARG 75 HD1 ARG 75 -15.690 11.754 -1.317 627 HE ARG 75 HE ARG 75 -13.750 9.895 -0.292 628 1HH1 ARG 75 HH11 ARG 75 -16.770 10.224 -2.016 629 2HH1 ARG 75 HH12 ARG 75 -16.620 8.699 -2.823 630 1HH2 ARG 75 HH21 ARG 75 -13.560 7.888 -1.351 631 2HH2 ARG 75 HH22 ARG 75 -14.800 7.372 -2.444 632 H SER 76 HN SER 76 -13.520 14.393 2.153 633 HA SER 76 HA SER 76 -16.120 15.454 2.285 634 1HB SER 76 HB2 SER 76 -14.490 14.193 4.057 635 2HB SER 76 HB1 SER 76 -14.420 15.845 4.669 636 HG SER 76 HG SER 76 -16.800 15.750 4.518 637 H LYS 77 HN LYS 77 -13.010 16.987 3.121 638 HA LYS 77 HA LYS 77 -14.240 19.573 3.406 639 1HB LYS 77 HB2 LYS 77 -12.010 18.487 4.464 640 2HB LYS 77 HB1 LYS 77 -11.300 19.368 3.119 641 1HG LYS 77 HG2 LYS 77 -11.220 21.041 4.615 642 2HG LYS 77 HG1 LYS 77 -12.900 21.278 4.123 643 1HD LYS 77 HD2 LYS 77 -13.710 20.554 6.099 644 2HD LYS 77 HD1 LYS 77 -12.480 19.295 6.257 645 1HE LYS 77 HE2 LYS 77 -12.240 20.969 8.010 646 2HE LYS 77 HE1 LYS 77 -10.840 20.973 6.939 647 1HZ LYS 77 HZ1 LYS 77 -11.640 23.215 7.501 648 2HZ LYS 77 HZ2 LYS 77 -13.120 22.874 6.742 649 3HZ LYS 77 HZ3 LYS 77 -11.690 22.913 5.837 Start of MODEL 17 1 1H MET 1 HT1 MET 1 22.521 -3.504 -6.247 2 2H MET 1 HT2 MET 1 22.887 -5.175 -6.120 3 3H MET 1 HT3 MET 1 23.536 -4.063 -4.984 4 HA MET 1 HA MET 1 21.719 -5.330 -4.083 5 1HB MET 1 HB2 MET 1 21.802 -2.390 -4.382 6 2HB MET 1 HB1 MET 1 20.290 -3.040 -3.762 7 1HG MET 1 HG2 MET 1 21.185 -3.588 -1.783 8 2HG MET 1 HG1 MET 1 22.703 -4.125 -2.500 9 1HE MET 1 HE1 MET 1 24.304 -3.502 -1.333 10 2HE MET 1 HE2 MET 1 24.094 -2.307 -0.054 11 3HE MET 1 HE3 MET 1 25.080 -1.924 -1.464 12 H THR 2 HN THR 2 20.059 -6.539 -4.695 13 HA THR 2 HA THR 2 18.514 -5.817 -7.051 14 HB THR 2 HB THR 2 17.499 -8.072 -6.760 15 HG1 THR 2 HG1 THR 2 18.458 -9.429 -5.175 16 1HG2 THR 2 HG21 THR 2 19.451 -7.966 -8.145 17 2HG2 THR 2 HG22 THR 2 19.527 -9.420 -7.149 18 3HG2 THR 2 HG23 THR 2 20.505 -8.012 -6.731 19 H THR 3 HN THR 3 16.401 -5.235 -7.069 20 HA THR 3 HA THR 3 15.109 -4.873 -4.445 21 HB THR 3 HB THR 3 13.831 -3.034 -5.525 22 HG1 THR 3 HG1 THR 3 13.932 -2.808 -7.591 23 1HG2 THR 3 HG21 THR 3 15.638 -1.406 -5.723 24 2HG2 THR 3 HG22 THR 3 16.816 -2.720 -5.734 25 3HG2 THR 3 HG23 THR 3 15.830 -2.430 -4.301 26 H SER 4 HN SER 4 13.773 -6.561 -4.180 27 HA SER 4 HA SER 4 12.379 -7.789 -6.366 28 1HB SER 4 HB2 SER 4 12.492 -8.210 -3.404 29 2HB SER 4 HB1 SER 4 11.177 -8.941 -4.324 30 HG SER 4 HG SER 4 13.013 -10.310 -4.134 31 H THR 5 HN THR 5 9.902 -8.275 -5.813 32 HA THR 5 HA THR 5 8.574 -5.766 -6.136 33 HB THR 5 HB THR 5 7.089 -8.307 -5.597 34 HG1 THR 5 HG1 THR 5 7.602 -9.123 -7.541 35 1HG2 THR 5 HG21 THR 5 6.338 -5.826 -6.549 36 2HG2 THR 5 HG22 THR 5 5.402 -7.318 -6.635 37 3HG2 THR 5 HG23 THR 5 6.424 -6.837 -7.991 38 H LEU 6 HN LEU 6 9.043 -8.010 -3.501 39 HA LEU 6 HA LEU 6 7.023 -6.952 -1.798 40 1HB LEU 6 HB2 LEU 6 9.347 -8.789 -1.474 41 2HB LEU 6 HB1 LEU 6 8.646 -8.083 -0.030 42 HG LEU 6 HG LEU 6 7.738 -10.310 -0.518 43 1HD1 LEU 6 HD11 LEU 6 5.685 -9.775 0.237 44 2HD1 LEU 6 HD12 LEU 6 5.406 -8.593 -1.042 45 3HD1 LEU 6 HD13 LEU 6 6.391 -8.162 0.357 46 1HD2 LEU 6 HD21 LEU 6 6.548 -10.840 -2.449 47 2HD2 LEU 6 HD22 LEU 6 7.932 -9.929 -3.052 48 3HD2 LEU 6 HD23 LEU 6 6.357 -9.149 -2.908 49 H GLN 7 HN GLN 7 10.400 -6.205 -2.366 50 HA GLN 7 HA GLN 7 10.723 -4.516 -0.092 51 1HB GLN 7 HB2 GLN 7 12.538 -5.666 -1.527 52 2HB GLN 7 HB1 GLN 7 12.346 -4.298 -2.614 53 1HG GLN 7 HG2 GLN 7 14.028 -3.489 -1.344 54 2HG GLN 7 HG1 GLN 7 12.673 -2.949 -0.354 55 1HE2 GLN 7 HE21 GLN 7 12.958 -3.293 1.717 56 2HE2 GLN 7 HE22 GLN 7 13.823 -4.609 2.429 57 H LYS 8 HN LYS 8 9.716 -4.022 -3.418 58 HA LYS 8 HA LYS 8 9.823 -1.180 -3.355 59 1HB LYS 8 HB2 LYS 8 8.591 -3.216 -5.170 60 2HB LYS 8 HB1 LYS 8 8.137 -1.525 -5.339 61 1HG LYS 8 HG2 LYS 8 10.589 -1.001 -5.544 62 2HG LYS 8 HG1 LYS 8 10.867 -2.740 -5.653 63 1HD LYS 8 HD2 LYS 8 9.703 -2.912 -7.681 64 2HD LYS 8 HD1 LYS 8 8.919 -1.347 -7.464 65 1HE LYS 8 HE2 LYS 8 11.854 -1.264 -7.529 66 2HE LYS 8 HE1 LYS 8 11.094 -1.785 -9.032 67 1HZ LYS 8 HZ1 LYS 8 10.988 0.420 -9.386 68 2HZ LYS 8 HZ2 LYS 8 11.060 0.816 -7.744 69 3HZ LYS 8 HZ3 LYS 8 9.595 0.325 -8.430 70 H ALA 9 HN ALA 9 7.278 -3.558 -2.759 71 HA ALA 9 HA ALA 9 5.115 -1.796 -2.541 72 1HB ALA 9 HB1 ALA 9 3.934 -3.570 -1.506 73 2HB ALA 9 HB2 ALA 9 5.425 -4.329 -0.945 74 3HB ALA 9 HB3 ALA 9 5.034 -4.315 -2.665 75 H ILE 10 HN ILE 10 7.488 -2.856 -0.150 76 HA ILE 10 HA ILE 10 6.250 -1.645 2.091 77 HB ILE 10 HB ILE 10 9.193 -2.217 1.737 78 1HG1 ILE 10 HG12 ILE 10 7.345 -4.091 3.145 79 2HG1 ILE 10 HG11 ILE 10 7.365 -4.112 1.384 80 1HG2 ILE 10 HG21 ILE 10 7.450 -1.805 4.155 81 2HG2 ILE 10 HG22 ILE 10 8.849 -0.858 3.649 82 3HG2 ILE 10 HG23 ILE 10 9.066 -2.507 4.233 83 1HD1 ILE 10 HD11 ILE 10 9.390 -5.018 3.316 84 2HD1 ILE 10 HD12 ILE 10 9.997 -4.219 1.866 85 3HD1 ILE 10 HD13 ILE 10 8.972 -5.647 1.722 86 H ASP 11 HN ASP 11 8.420 -0.472 -0.382 87 HA ASP 11 HA ASP 11 9.267 1.885 0.931 88 1HB ASP 11 HB2 ASP 11 9.591 0.669 -1.658 89 2HB ASP 11 HB1 ASP 11 9.238 2.383 -1.849 90 H LEU 12 HN LEU 12 6.410 1.064 -0.897 91 HA LEU 12 HA LEU 12 5.539 3.769 -1.269 92 1HB LEU 12 HB2 LEU 12 4.379 1.064 -1.737 93 2HB LEU 12 HB1 LEU 12 3.288 2.435 -1.670 94 HG LEU 12 HG LEU 12 3.939 1.871 -3.973 95 1HD1 LEU 12 HD11 LEU 12 4.013 4.034 -4.650 96 2HD1 LEU 12 HD12 LEU 12 5.292 4.463 -3.513 97 3HD1 LEU 12 HD13 LEU 12 3.627 4.307 -2.951 98 1HD2 LEU 12 HD21 LEU 12 6.142 0.984 -3.612 99 2HD2 LEU 12 HD22 LEU 12 6.714 2.538 -3.004 100 3HD2 LEU 12 HD23 LEU 12 6.258 2.368 -4.699 101 H VAL 13 HN VAL 13 5.089 1.292 1.152 102 HA VAL 13 HA VAL 13 2.897 2.584 2.470 103 HB VAL 13 HB VAL 13 4.762 0.502 3.614 104 1HG1 VAL 13 HG11 VAL 13 2.987 0.004 5.140 105 2HG1 VAL 13 HG12 VAL 13 1.896 1.117 4.314 106 3HG1 VAL 13 HG13 VAL 13 3.287 1.740 5.201 107 1HG2 VAL 13 HG21 VAL 13 3.376 -1.193 2.747 108 2HG2 VAL 13 HG22 VAL 13 3.658 -0.091 1.399 109 3HG2 VAL 13 HG23 VAL 13 2.126 -0.041 2.272 110 H THR 14 HN THR 14 6.381 2.675 2.719 111 HA THR 14 HA THR 14 6.444 4.009 5.253 112 HB THR 14 HB THR 14 8.620 3.898 3.160 113 HG1 THR 14 HG1 THR 14 7.879 1.804 3.710 114 1HG2 THR 14 HG21 THR 14 8.715 4.285 6.139 115 2HG2 THR 14 HG22 THR 14 9.195 5.436 4.892 116 3HG2 THR 14 HG23 THR 14 10.121 3.954 5.127 117 H LYS 15 HN LYS 15 6.439 4.995 1.886 118 HA LYS 15 HA LYS 15 7.071 7.733 2.390 119 1HB LYS 15 HB2 LYS 15 7.091 6.220 0.165 120 2HB LYS 15 HB1 LYS 15 5.539 7.017 -0.045 121 1HG LYS 15 HG2 LYS 15 6.483 9.101 -0.269 122 2HG LYS 15 HG1 LYS 15 7.943 8.651 0.615 123 1HD LYS 15 HD2 LYS 15 8.320 7.028 -1.392 124 2HD LYS 15 HD1 LYS 15 7.201 8.105 -2.229 125 1HE LYS 15 HE2 LYS 15 9.331 9.468 -0.742 126 2HE LYS 15 HE1 LYS 15 9.896 8.465 -2.077 127 1HZ LYS 15 HZ1 LYS 15 8.544 9.669 -3.593 128 2HZ LYS 15 HZ2 LYS 15 9.395 10.810 -2.679 129 3HZ LYS 15 HZ3 LYS 15 7.764 10.510 -2.349 130 H ALA 16 HN ALA 16 4.136 5.853 2.290 131 HA ALA 16 HA ALA 16 2.359 8.091 2.132 132 1HB ALA 16 HB1 ALA 16 2.077 5.165 2.521 133 2HB ALA 16 HB2 ALA 16 1.280 6.238 1.371 134 3HB ALA 16 HB3 ALA 16 0.747 6.195 3.052 135 H THR 17 HN THR 17 3.487 5.983 4.757 136 HA THR 17 HA THR 17 1.942 7.055 6.817 137 HB THR 17 HB THR 17 3.145 5.002 7.154 138 HG1 THR 17 HG1 THR 17 2.873 6.417 8.989 139 1HG2 THR 17 HG21 THR 17 5.095 5.380 5.767 140 2HG2 THR 17 HG22 THR 17 5.568 4.907 7.399 141 3HG2 THR 17 HG23 THR 17 5.684 6.595 6.902 142 H GLU 18 HN GLU 18 5.134 8.023 5.619 143 HA GLU 18 HA GLU 18 5.556 10.053 7.552 144 1HB GLU 18 HB2 GLU 18 7.347 10.823 6.050 145 2HB GLU 18 HB1 GLU 18 7.411 9.085 6.308 146 1HG GLU 18 HG2 GLU 18 6.239 8.782 4.137 147 2HG GLU 18 HG1 GLU 18 6.374 10.521 3.877 148 H GLU 19 HN GLU 19 3.948 9.967 4.447 149 HA GLU 19 HA GLU 19 3.736 12.813 4.181 150 1HB GLU 19 HB2 GLU 19 2.548 10.462 2.744 151 2HB GLU 19 HB1 GLU 19 1.938 12.084 2.444 152 1HG GLU 19 HG2 GLU 19 4.852 11.415 2.216 153 2HG GLU 19 HG1 GLU 19 3.727 11.189 0.877 154 H ASP 20 HN ASP 20 1.664 10.226 5.381 155 HA ASP 20 HA ASP 20 -0.736 11.586 5.639 156 1HB ASP 20 HB2 ASP 20 0.102 9.090 6.272 157 2HB ASP 20 HB1 ASP 20 -0.032 9.791 7.883 158 H LYS 21 HN LYS 21 1.951 11.390 7.955 159 HA LYS 21 HA LYS 21 0.685 13.117 9.854 160 1HB LYS 21 HB2 LYS 21 2.823 13.041 11.042 161 2HB LYS 21 HB1 LYS 21 2.307 11.430 10.562 162 1HG LYS 21 HG2 LYS 21 3.819 11.845 8.492 163 2HG LYS 21 HG1 LYS 21 4.552 13.088 9.508 164 1HD LYS 21 HD2 LYS 21 4.177 10.266 10.469 165 2HD LYS 21 HD1 LYS 21 5.603 10.758 9.553 166 1HE LYS 21 HE2 LYS 21 4.877 12.481 11.833 167 2HE LYS 21 HE1 LYS 21 5.432 10.858 12.242 168 1HZ LYS 21 HZ1 LYS 21 6.901 13.086 11.097 169 2HZ LYS 21 HZ2 LYS 21 7.265 11.565 10.455 170 3HZ LYS 21 HZ3 LYS 21 7.435 11.844 12.114 171 H ALA 22 HN ALA 22 2.467 13.629 6.983 172 HA ALA 22 HA ALA 22 3.282 16.323 7.761 173 1HB ALA 22 HB1 ALA 22 3.774 14.847 5.178 174 2HB ALA 22 HB2 ALA 22 4.880 14.899 6.550 175 3HB ALA 22 HB3 ALA 22 4.501 16.378 5.668 176 H LYS 23 HN LYS 23 0.428 15.480 7.314 177 HA LYS 23 HA LYS 23 -1.474 16.308 6.384 178 1HB LYS 23 HB2 LYS 23 0.407 18.639 6.154 179 2HB LYS 23 HB1 LYS 23 -1.234 18.746 5.532 180 1HG LYS 23 HG2 LYS 23 -0.813 17.814 8.327 181 2HG LYS 23 HG1 LYS 23 -0.659 19.533 7.958 182 1HD LYS 23 HD2 LYS 23 -2.872 19.788 7.701 183 2HD LYS 23 HD1 LYS 23 -3.025 18.293 6.776 184 1HE LYS 23 HE2 LYS 23 -3.354 17.003 8.661 185 2HE LYS 23 HE1 LYS 23 -2.541 18.157 9.718 186 1HZ LYS 23 HZ1 LYS 23 -4.413 19.611 9.600 187 2HZ LYS 23 HZ2 LYS 23 -4.982 18.071 10.009 188 3HZ LYS 23 HZ3 LYS 23 -5.170 18.650 8.431 189 H ASN 24 HN ASN 24 -0.133 14.588 4.725 190 HA ASN 24 HA ASN 24 -0.604 15.783 2.074 191 1HB ASN 24 HB2 ASN 24 1.613 14.009 3.024 192 2HB ASN 24 HB1 ASN 24 1.082 13.896 1.349 193 1HD2 ASN 24 HD21 ASN 24 1.089 15.887 0.093 194 2HD2 ASN 24 HD22 ASN 24 2.298 17.076 0.422 195 H TYR 25 HN TYR 25 -2.681 14.660 3.425 196 HA TYR 25 HA TYR 25 -3.149 11.950 3.206 197 1HB TYR 25 HB2 TYR 25 -5.021 14.300 2.958 198 2HB TYR 25 HB1 TYR 25 -5.596 12.636 2.932 199 HD1 TYR 25 HD1 TYR 25 -3.807 15.135 5.005 200 HD2 TYR 25 HD2 TYR 25 -5.880 11.420 4.935 201 HE1 TYR 25 HE1 TYR 25 -3.851 15.120 7.464 202 HE2 TYR 25 HE2 TYR 25 -5.930 11.396 7.394 203 HH TYR 25 HH TYR 25 -5.828 13.182 9.256 204 H GLU 26 HN GLU 26 -3.446 14.442 0.728 205 HA GLU 26 HA GLU 26 -4.702 12.891 -1.245 206 1HB GLU 26 HB2 GLU 26 -3.275 15.449 -1.118 207 2HB GLU 26 HB1 GLU 26 -3.121 14.637 -2.670 208 1HG GLU 26 HG2 GLU 26 -5.391 14.741 -3.098 209 2HG GLU 26 HG1 GLU 26 -5.804 14.961 -1.399 210 H GLU 27 HN GLU 27 -1.262 13.477 -0.596 211 HA GLU 27 HA GLU 27 -0.331 11.865 -2.746 212 1HB GLU 27 HB2 GLU 27 0.883 13.721 -1.343 213 2HB GLU 27 HB1 GLU 27 1.315 12.374 -0.297 214 1HG GLU 27 HG2 GLU 27 3.070 12.097 -1.627 215 2HG GLU 27 HG1 GLU 27 1.935 11.428 -2.799 216 H ALA 28 HN ALA 28 -0.937 11.283 0.679 217 HA ALA 28 HA ALA 28 0.236 8.756 0.904 218 1HB ALA 28 HB1 ALA 28 -1.307 8.433 2.821 219 2HB ALA 28 HB2 ALA 28 -2.136 9.919 2.357 220 3HB ALA 28 HB3 ALA 28 -0.446 9.972 2.861 221 H LEU 29 HN LEU 29 -2.863 9.750 -0.386 222 HA LEU 29 HA LEU 29 -4.108 7.225 -0.452 223 1HB LEU 29 HB2 LEU 29 -5.211 9.465 -0.777 224 2HB LEU 29 HB1 LEU 29 -4.535 9.491 -2.396 225 HG LEU 29 HG LEU 29 -5.781 7.159 -2.579 226 1HD1 LEU 29 HD11 LEU 29 -6.495 7.298 -0.178 227 2HD1 LEU 29 HD12 LEU 29 -7.799 7.037 -1.336 228 3HD1 LEU 29 HD13 LEU 29 -7.543 8.638 -0.641 229 1HD2 LEU 29 HD21 LEU 29 -6.141 9.150 -3.983 230 2HD2 LEU 29 HD22 LEU 29 -7.223 9.801 -2.752 231 3HD2 LEU 29 HD23 LEU 29 -7.646 8.315 -3.601 232 H ARG 30 HN ARG 30 -2.247 8.980 -2.923 233 HA ARG 30 HA ARG 30 -2.421 6.914 -4.865 234 1HB ARG 30 HB2 ARG 30 -0.878 9.440 -4.558 235 2HB ARG 30 HB1 ARG 30 -0.273 8.254 -5.707 236 1HG ARG 30 HG2 ARG 30 -1.612 9.483 -7.074 237 2HG ARG 30 HG1 ARG 30 -2.771 8.268 -6.531 238 1HD ARG 30 HD2 ARG 30 -3.019 10.144 -4.582 239 2HD ARG 30 HD1 ARG 30 -2.651 11.153 -5.980 240 HE ARG 30 HE ARG 30 -4.627 9.344 -6.740 241 1HH1 ARG 30 HH11 ARG 30 -4.241 12.018 -4.530 242 2HH1 ARG 30 HH12 ARG 30 -5.910 12.475 -4.596 243 1HH2 ARG 30 HH21 ARG 30 -6.822 9.946 -6.828 244 2HH2 ARG 30 HH22 ARG 30 -7.376 11.298 -5.900 245 H LEU 31 HN LEU 31 -0.142 7.672 -2.307 246 HA LEU 31 HA LEU 31 1.883 5.859 -3.152 247 1HB LEU 31 HB2 LEU 31 1.337 7.520 -0.768 248 2HB LEU 31 HB1 LEU 31 2.347 6.111 -0.502 249 HG LEU 31 HG LEU 31 3.620 8.202 -0.952 250 1HD1 LEU 31 HD11 LEU 31 4.182 6.385 -3.237 251 2HD1 LEU 31 HD12 LEU 31 4.272 5.733 -1.600 252 3HD1 LEU 31 HD13 LEU 31 5.285 7.102 -2.062 253 1HD2 LEU 31 HD21 LEU 31 3.359 9.453 -2.802 254 2HD2 LEU 31 HD22 LEU 31 1.767 8.697 -2.862 255 3HD2 LEU 31 HD23 LEU 31 3.087 8.053 -3.839 256 H TYR 32 HN TYR 32 -0.821 5.643 -0.884 257 HA TYR 32 HA TYR 32 -0.175 3.062 0.097 258 1HB TYR 32 HB2 TYR 32 -2.410 4.955 0.334 259 2HB TYR 32 HB1 TYR 32 -2.888 3.264 0.448 260 HD1 TYR 32 HD1 TYR 32 -1.182 1.840 2.008 261 HD2 TYR 32 HD2 TYR 32 -1.956 6.012 2.324 262 HE1 TYR 32 HE1 TYR 32 -0.459 1.790 4.357 263 HE2 TYR 32 HE2 TYR 32 -1.233 5.973 4.675 264 HH TYR 32 HH TYR 32 0.505 4.175 6.037 265 H GLN 33 HN GLN 33 -2.447 4.188 -2.391 266 HA GLN 33 HA GLN 33 -3.510 1.698 -3.081 267 1HB GLN 33 HB2 GLN 33 -3.301 4.351 -4.406 268 2HB GLN 33 HB1 GLN 33 -3.695 2.974 -5.426 269 1HG GLN 33 HG2 GLN 33 -5.392 2.630 -3.313 270 2HG GLN 33 HG1 GLN 33 -5.323 4.386 -3.463 271 1HE2 GLN 33 HE21 GLN 33 -6.540 5.325 -4.956 272 2HE2 GLN 33 HE22 GLN 33 -7.374 4.510 -6.231 273 H HIS 34 HN HIS 34 -0.616 3.367 -4.218 274 HA HIS 34 HA HIS 34 0.009 1.569 -6.307 275 1HB HIS 34 HB2 HIS 34 1.421 3.729 -4.846 276 2HB HIS 34 HB1 HIS 34 2.436 2.544 -5.663 277 HD1 HIS 34 HD1 HIS 34 2.891 3.010 -8.052 278 HD2 HIS 34 HD2 HIS 34 -0.551 4.924 -6.725 279 HE1 HIS 34 HE1 HIS 34 2.114 4.416 -9.987 280 HE2 HIS 34 HE2 HIS 34 0.075 5.625 -9.134 281 H ALA 35 HN ALA 35 0.664 1.563 -2.869 282 HA ALA 35 HA ALA 35 2.632 -0.492 -2.915 283 1HB ALA 35 HB1 ALA 35 2.779 -0.159 -0.696 284 2HB ALA 35 HB2 ALA 35 1.031 -0.207 -0.467 285 3HB ALA 35 HB3 ALA 35 1.805 1.271 -1.039 286 H VAL 36 HN VAL 36 -0.872 -0.449 -2.519 287 HA VAL 36 HA VAL 36 -1.139 -3.189 -1.829 288 HB VAL 36 HB VAL 36 -3.231 -1.459 -3.148 289 1HG1 VAL 36 HG11 VAL 36 -3.938 -3.461 -1.105 290 2HG1 VAL 36 HG12 VAL 36 -3.344 -4.104 -2.637 291 3HG1 VAL 36 HG13 VAL 36 -4.749 -3.039 -2.613 292 1HG2 VAL 36 HG21 VAL 36 -2.883 -0.126 -1.357 293 2HG2 VAL 36 HG22 VAL 36 -2.096 -1.400 -0.425 294 3HG2 VAL 36 HG23 VAL 36 -3.855 -1.346 -0.535 295 H GLU 37 HN GLU 37 -0.999 -1.457 -4.868 296 HA GLU 37 HA GLU 37 -1.953 -3.573 -6.507 297 1HB GLU 37 HB2 GLU 37 -0.633 -0.955 -6.931 298 2HB GLU 37 HB1 GLU 37 -0.454 -2.134 -8.223 299 1HG GLU 37 HG2 GLU 37 -3.150 -2.223 -7.568 300 2HG GLU 37 HG1 GLU 37 -2.729 -0.512 -7.505 301 H TYR 38 HN TYR 38 1.215 -2.644 -5.316 302 HA TYR 38 HA TYR 38 2.680 -4.432 -6.991 303 1HB TYR 38 HB2 TYR 38 3.316 -2.767 -4.586 304 2HB TYR 38 HB1 TYR 38 4.453 -4.013 -5.090 305 HD1 TYR 38 HD1 TYR 38 4.853 -3.959 -7.784 306 HD2 TYR 38 HD2 TYR 38 3.760 -0.646 -5.348 307 HE1 TYR 38 HE1 TYR 38 5.795 -2.424 -9.459 308 HE2 TYR 38 HE2 TYR 38 4.699 0.898 -7.017 309 HH TYR 38 HH TYR 38 6.718 0.445 -9.013 310 H PHE 39 HN PHE 39 1.133 -4.673 -3.871 311 HA PHE 39 HA PHE 39 2.416 -7.094 -3.074 312 1HB PHE 39 HB2 PHE 39 0.130 -5.457 -2.093 313 2HB PHE 39 HB1 PHE 39 0.217 -7.136 -1.568 314 HD1 PHE 39 HD1 PHE 39 1.108 -3.892 -0.743 315 HD2 PHE 39 HD2 PHE 39 2.672 -7.849 -0.772 316 HE1 PHE 39 HE1 PHE 39 2.731 -3.258 0.994 317 HE2 PHE 39 HE2 PHE 39 4.298 -7.223 0.967 318 HZ PHE 39 HZ PHE 39 4.329 -4.925 1.852 319 H LEU 40 HN LEU 40 -0.544 -6.302 -4.800 320 HA LEU 40 HA LEU 40 -1.653 -8.910 -4.767 321 1HB LEU 40 HB2 LEU 40 -2.212 -6.348 -6.072 322 2HB LEU 40 HB1 LEU 40 -2.646 -7.737 -7.050 323 HG LEU 40 HG LEU 40 -3.552 -7.732 -4.220 324 1HD1 LEU 40 HD11 LEU 40 -5.595 -6.445 -4.973 325 2HD1 LEU 40 HD12 LEU 40 -4.636 -5.917 -6.357 326 3HD1 LEU 40 HD13 LEU 40 -4.127 -5.501 -4.720 327 1HD2 LEU 40 HD21 LEU 40 -5.353 -8.979 -5.070 328 2HD2 LEU 40 HD22 LEU 40 -3.934 -9.563 -5.942 329 3HD2 LEU 40 HD23 LEU 40 -5.051 -8.444 -6.724 330 H HIS 41 HN HIS 41 0.480 -7.211 -7.008 331 HA HIS 41 HA HIS 41 0.461 -9.250 -8.997 332 1HB HIS 41 HB2 HIS 41 1.082 -6.820 -9.349 333 2HB HIS 41 HB1 HIS 41 2.617 -7.181 -8.566 334 HD1 HIS 41 HD1 HIS 41 1.308 -6.815 -11.790 335 HD2 HIS 41 HD2 HIS 41 3.825 -9.612 -10.030 336 HE1 HIS 41 HE1 HIS 41 2.536 -7.908 -13.700 337 HE2 HIS 41 HE2 HIS 41 3.993 -9.654 -12.610 338 H ALA 42 HN ALA 42 2.362 -8.630 -6.132 339 HA ALA 42 HA ALA 42 4.530 -10.340 -6.696 340 1HB ALA 42 HB1 ALA 42 3.371 -9.328 -4.112 341 2HB ALA 42 HB2 ALA 42 4.813 -8.767 -4.959 342 3HB ALA 42 HB3 ALA 42 4.808 -10.340 -4.180 343 H ILE 43 HN ILE 43 1.376 -10.900 -5.232 344 HA ILE 43 HA ILE 43 1.947 -13.600 -4.458 345 HB ILE 43 HB ILE 43 -0.772 -12.340 -4.824 346 1HG1 ILE 43 HG12 ILE 43 0.742 -12.480 -2.224 347 2HG1 ILE 43 HG11 ILE 43 0.907 -11.100 -3.302 348 1HG2 ILE 43 HG21 ILE 43 -1.518 -14.010 -3.240 349 2HG2 ILE 43 HG22 ILE 43 0.130 -14.610 -3.058 350 3HG2 ILE 43 HG23 ILE 43 -0.711 -14.800 -4.597 351 1HD1 ILE 43 HD11 ILE 43 -1.865 -11.780 -2.800 352 2HD1 ILE 43 HD12 ILE 43 -1.026 -10.240 -2.637 353 3HD1 ILE 43 HD13 ILE 43 -0.974 -11.410 -1.324 354 H LYS 44 HN LYS 44 0.195 -12.080 -7.142 355 HA LYS 44 HA LYS 44 -0.743 -14.420 -8.349 356 1HB LYS 44 HB2 LYS 44 -0.999 -11.750 -8.848 357 2HB LYS 44 HB1 LYS 44 0.009 -12.260 -10.190 358 1HG LYS 44 HG2 LYS 44 -1.809 -14.170 -10.370 359 2HG LYS 44 HG1 LYS 44 -2.801 -12.960 -9.550 360 1HD LYS 44 HD2 LYS 44 -1.400 -11.630 -11.610 361 2HD LYS 44 HD1 LYS 44 -2.059 -13.110 -12.300 362 1HE LYS 44 HE2 LYS 44 -4.155 -12.190 -10.810 363 2HE LYS 44 HE1 LYS 44 -3.424 -10.690 -11.380 364 1HZ LYS 44 HZ1 LYS 44 -3.521 -11.660 -13.650 365 2HZ LYS 44 HZ2 LYS 44 -5.042 -11.390 -12.960 366 3HZ LYS 44 HZ3 LYS 44 -4.406 -12.960 -13.030 367 H TYR 45 HN TYR 45 2.185 -12.520 -9.054 368 HA TYR 45 HA TYR 45 3.161 -14.480 -10.920 369 1HB TYR 45 HB2 TYR 45 4.045 -11.840 -9.912 370 2HB TYR 45 HB1 TYR 45 5.322 -12.930 -10.440 371 HD1 TYR 45 HD1 TYR 45 1.901 -12.070 -11.700 372 HD2 TYR 45 HD2 TYR 45 6.050 -12.440 -12.570 373 HE1 TYR 45 HE1 TYR 45 1.462 -11.440 -14.030 374 HE2 TYR 45 HE2 TYR 45 5.623 -11.800 -14.900 375 HH TYR 45 HH TYR 45 2.514 -11.710 -16.240 376 H GLU 46 HN GLU 46 4.561 -13.220 -7.889 377 HA GLU 46 HA GLU 46 6.080 -15.690 -7.590 378 1HB GLU 46 HB2 GLU 46 6.175 -12.980 -6.315 379 2HB GLU 46 HB1 GLU 46 6.914 -14.350 -5.493 380 1HG GLU 46 HG2 GLU 46 7.644 -14.110 -8.314 381 2HG GLU 46 HG1 GLU 46 8.147 -12.750 -7.318 382 H ALA 47 HN ALA 47 4.433 -17.150 -7.051 383 HA ALA 47 HA ALA 47 2.764 -16.650 -4.740 384 1HB ALA 47 HB1 ALA 47 1.953 -17.870 -6.758 385 2HB ALA 47 HB2 ALA 47 1.712 -18.740 -5.239 386 3HB ALA 47 HB3 ALA 47 3.027 -19.200 -6.319 387 H HIS 48 HN HIS 48 2.773 -17.880 -2.824 388 HA HIS 48 HA HIS 48 5.133 -19.540 -2.331 389 1HB HIS 48 HB2 HIS 48 4.683 -16.900 -1.241 390 2HB HIS 48 HB1 HIS 48 4.777 -18.100 0.046 391 HD1 HIS 48 HD1 HIS 48 7.032 -19.450 0.227 392 HD2 HIS 48 HD2 HIS 48 7.077 -16.290 -2.472 393 HE1 HIS 48 HE1 HIS 48 9.459 -19.030 -0.283 394 HE2 HIS 48 HE2 HIS 48 9.457 -17.180 -1.987 395 H SER 49 HN SER 49 4.801 -20.060 0.324 396 HA SER 49 HA SER 49 2.735 -21.970 0.327 397 1HB SER 49 HB2 SER 49 4.569 -20.860 2.425 398 2HB SER 49 HB1 SER 49 3.240 -21.920 2.902 399 HG SER 49 HG SER 49 5.123 -22.590 0.894 400 H ASP 50 HN ASP 50 1.109 -22.050 2.225 401 HA ASP 50 HA ASP 50 -0.809 -20.050 1.821 402 1HB ASP 50 HB2 ASP 50 -0.847 -22.520 2.932 403 2HB ASP 50 HB1 ASP 50 -0.965 -21.530 4.377 404 H LYS 51 HN LYS 51 1.623 -20.460 4.336 405 HA LYS 51 HA LYS 51 0.730 -18.480 6.104 406 1HB LYS 51 HB2 LYS 51 2.740 -20.280 6.151 407 2HB LYS 51 HB1 LYS 51 3.656 -18.820 5.812 408 1HG LYS 51 HG2 LYS 51 2.120 -17.940 7.830 409 2HG LYS 51 HG1 LYS 51 2.237 -19.650 8.257 410 1HD LYS 51 HD2 LYS 51 4.435 -19.500 8.754 411 2HD LYS 51 HD1 LYS 51 4.763 -18.370 7.442 412 1HE LYS 51 HE2 LYS 51 4.222 -16.530 8.718 413 2HE LYS 51 HE1 LYS 51 3.183 -17.450 9.800 414 1HZ LYS 51 HZ1 LYS 51 6.151 -17.540 9.726 415 2HZ LYS 51 HZ2 LYS 51 5.180 -18.490 10.729 416 3HZ LYS 51 HZ3 LYS 51 5.201 -16.810 10.922 417 H ALA 52 HN ALA 52 3.115 -18.280 3.468 418 HA ALA 52 HA ALA 52 3.513 -15.470 3.782 419 1HB ALA 52 HB1 ALA 52 4.471 -17.580 1.953 420 2HB ALA 52 HB2 ALA 52 5.362 -16.310 2.787 421 3HB ALA 52 HB3 ALA 52 4.465 -15.930 1.314 422 H LYS 53 HN LYS 53 1.525 -17.490 1.690 423 HA LYS 53 HA LYS 53 0.670 -15.440 -0.061 424 1HB LYS 53 HB2 LYS 53 0.476 -18.020 -0.288 425 2HB LYS 53 HB1 LYS 53 -1.016 -17.830 0.624 426 1HG LYS 53 HG2 LYS 53 -1.917 -16.370 -1.079 427 2HG LYS 53 HG1 LYS 53 -0.396 -16.440 -1.973 428 1HD LYS 53 HD2 LYS 53 -1.401 -18.100 -3.108 429 2HD LYS 53 HD1 LYS 53 -0.966 -19.080 -1.707 430 1HE LYS 53 HE2 LYS 53 -3.107 -19.430 -1.224 431 2HE LYS 53 HE1 LYS 53 -3.419 -17.690 -1.190 432 1HZ LYS 53 HZ1 LYS 53 -3.955 -17.680 -3.453 433 2HZ LYS 53 HZ2 LYS 53 -4.721 -19.060 -2.851 434 3HZ LYS 53 HZ3 LYS 53 -3.283 -19.210 -3.727 435 H GLU 54 HN GLU 54 -0.806 -16.840 2.853 436 HA GLU 54 HA GLU 54 -3.103 -15.180 2.804 437 1HB GLU 54 HB2 GLU 54 -2.581 -17.410 4.113 438 2HB GLU 54 HB1 GLU 54 -2.044 -16.300 5.365 439 1HG GLU 54 HG2 GLU 54 -4.126 -15.790 5.949 440 2HG GLU 54 HG1 GLU 54 -4.626 -15.560 4.275 441 H SER 55 HN SER 55 0.064 -14.900 4.310 442 HA SER 55 HA SER 55 -0.437 -12.750 6.025 443 1HB SER 55 HB2 SER 55 2.010 -13.810 4.658 444 2HB SER 55 HB1 SER 55 2.098 -12.260 5.501 445 HG SER 55 HG SER 55 2.582 -13.740 7.026 446 H ILE 56 HN ILE 56 0.644 -12.740 2.640 447 HA ILE 56 HA ILE 56 0.744 -9.908 2.436 448 HB ILE 56 HB ILE 56 0.465 -11.880 0.175 449 1HG1 ILE 56 HG12 ILE 56 3.121 -10.790 0.895 450 2HG1 ILE 56 HG11 ILE 56 2.455 -11.980 2.004 451 1HG2 ILE 56 HG21 ILE 56 1.854 -10.020 -0.960 452 2HG2 ILE 56 HG22 ILE 56 1.262 -9.011 0.354 453 3HG2 ILE 56 HG23 ILE 56 0.120 -9.788 -0.743 454 1HD1 ILE 56 HD11 ILE 56 3.428 -12.290 -0.761 455 2HD1 ILE 56 HD12 ILE 56 2.028 -13.260 -0.296 456 3HD1 ILE 56 HD13 ILE 56 3.532 -13.390 0.616 457 H ARG 57 HN ARG 57 -1.686 -12.340 1.662 458 HA ARG 57 HA ARG 57 -3.484 -10.670 0.297 459 1HB ARG 57 HB2 ARG 57 -3.451 -13.250 0.521 460 2HB ARG 57 HB1 ARG 57 -4.378 -12.980 1.991 461 1HG ARG 57 HG2 ARG 57 -6.108 -13.220 0.563 462 2HG ARG 57 HG1 ARG 57 -5.826 -11.490 0.316 463 1HD ARG 57 HD2 ARG 57 -4.438 -12.000 -1.632 464 2HD ARG 57 HD1 ARG 57 -4.709 -13.730 -1.381 465 HE ARG 57 HE ARG 57 -6.772 -13.510 -2.350 466 1HH1 ARG 57 HH11 ARG 57 -5.569 -10.340 -1.531 467 2HH1 ARG 57 HH12 ARG 57 -6.842 -9.507 -2.358 468 1HH2 ARG 57 HH21 ARG 57 -8.447 -12.410 -3.439 469 2HH2 ARG 57 HH22 ARG 57 -8.476 -10.680 -3.441 470 H ALA 58 HN ALA 58 -3.149 -11.460 3.726 471 HA ALA 58 HA ALA 58 -5.478 -10.100 4.590 472 1HB ALA 58 HB1 ALA 58 -4.412 -11.800 5.962 473 2HB ALA 58 HB2 ALA 58 -4.494 -10.260 6.834 474 3HB ALA 58 HB3 ALA 58 -2.971 -10.790 6.118 475 H LYS 59 HN LYS 59 -2.214 -9.067 3.917 476 HA LYS 59 HA LYS 59 -2.336 -6.583 5.283 477 1HB LYS 59 HB2 LYS 59 -0.535 -7.850 3.293 478 2HB LYS 59 HB1 LYS 59 -0.486 -6.096 3.398 479 1HG LYS 59 HG2 LYS 59 0.468 -6.106 5.451 480 2HG LYS 59 HG1 LYS 59 -0.351 -7.588 5.947 481 1HD LYS 59 HD2 LYS 59 1.247 -8.536 3.982 482 2HD LYS 59 HD1 LYS 59 2.239 -7.211 4.596 483 1HE LYS 59 HE2 LYS 59 1.655 -8.224 6.925 484 2HE LYS 59 HE1 LYS 59 1.283 -9.675 5.995 485 1HZ LYS 59 HZ1 LYS 59 3.511 -9.687 5.128 486 2HZ LYS 59 HZ2 LYS 59 3.581 -9.626 6.817 487 3HZ LYS 59 HZ3 LYS 59 3.877 -8.230 5.908 488 H CYS 60 HN CYS 60 -3.215 -7.625 2.048 489 HA CYS 60 HA CYS 60 -3.538 -5.074 0.896 490 1HB CYS 60 HB2 CYS 60 -4.412 -7.837 0.240 491 2HB CYS 60 HB1 CYS 60 -5.287 -6.520 -0.533 492 HG CYS 60 HG CYS 60 -3.403 -6.186 -2.057 493 H VAL 61 HN VAL 61 -5.670 -7.097 2.818 494 HA VAL 61 HA VAL 61 -8.052 -5.638 2.353 495 HB VAL 61 HB VAL 61 -7.392 -7.245 4.821 496 1HG1 VAL 61 HG11 VAL 61 -10.000 -6.530 3.495 497 2HG1 VAL 61 HG12 VAL 61 -9.403 -5.922 5.038 498 3HG1 VAL 61 HG13 VAL 61 -9.831 -7.625 4.868 499 1HG2 VAL 61 HG21 VAL 61 -7.936 -8.083 2.044 500 2HG2 VAL 61 HG22 VAL 61 -8.814 -8.951 3.304 501 3HG2 VAL 61 HG23 VAL 61 -7.051 -8.908 3.327 502 H GLN 62 HN GLN 62 -5.554 -5.438 4.852 503 HA GLN 62 HA GLN 62 -6.893 -3.385 6.330 504 1HB GLN 62 HB2 GLN 62 -4.962 -5.122 6.987 505 2HB GLN 62 HB1 GLN 62 -3.955 -3.736 6.590 506 1HG GLN 62 HG2 GLN 62 -4.302 -3.514 8.864 507 2HG GLN 62 HG1 GLN 62 -5.497 -2.422 8.165 508 1HE2 GLN 62 HE21 GLN 62 -7.163 -2.460 9.512 509 2HE2 GLN 62 HE22 GLN 62 -7.962 -3.881 10.085 510 H TYR 63 HN TYR 63 -4.361 -3.470 3.880 511 HA TYR 63 HA TYR 63 -3.685 -0.715 4.059 512 1HB TYR 63 HB2 TYR 63 -3.191 -2.867 2.021 513 2HB TYR 63 HB1 TYR 63 -2.750 -1.196 1.686 514 HD1 TYR 63 HD1 TYR 63 -1.268 -4.076 2.436 515 HD2 TYR 63 HD2 TYR 63 -1.671 -0.207 4.159 516 HE1 TYR 63 HE1 TYR 63 0.848 -4.401 3.646 517 HE2 TYR 63 HE2 TYR 63 0.445 -0.520 5.372 518 HH TYR 63 HH TYR 63 2.594 -3.094 4.688 519 H LEU 64 HN LEU 64 -6.008 -2.546 2.158 520 HA LEU 64 HA LEU 64 -6.706 -0.417 0.404 521 1HB LEU 64 HB2 LEU 64 -7.855 -3.081 1.088 522 2HB LEU 64 HB1 LEU 64 -8.869 -1.932 0.237 523 HG LEU 64 HG LEU 64 -6.141 -2.594 -0.814 524 1HD1 LEU 64 HD11 LEU 64 -7.127 -4.369 -2.168 525 2HD1 LEU 64 HD12 LEU 64 -8.660 -4.169 -1.319 526 3HD1 LEU 64 HD13 LEU 64 -7.237 -4.739 -0.447 527 1HD2 LEU 64 HD21 LEU 64 -8.728 -1.665 -2.050 528 2HD2 LEU 64 HD22 LEU 64 -7.277 -2.081 -2.961 529 3HD2 LEU 64 HD23 LEU 64 -7.251 -0.725 -1.834 530 H ASP 65 HN ASP 65 -7.756 -1.405 3.579 531 HA ASP 65 HA ASP 65 -10.140 0.166 3.599 532 1HB ASP 65 HB2 ASP 65 -9.213 -1.869 5.149 533 2HB ASP 65 HB1 ASP 65 -8.907 -0.484 6.194 534 H ARG 66 HN ARG 66 -6.801 0.721 4.412 535 HA ARG 66 HA ARG 66 -7.244 3.115 5.905 536 1HB ARG 66 HB2 ARG 66 -4.845 1.765 4.726 537 2HB ARG 66 HB1 ARG 66 -4.712 3.418 5.309 538 1HG ARG 66 HG2 ARG 66 -5.966 2.179 7.394 539 2HG ARG 66 HG1 ARG 66 -4.897 0.911 6.790 540 1HD ARG 66 HD2 ARG 66 -3.497 1.975 8.261 541 2HD ARG 66 HD1 ARG 66 -3.129 2.848 6.775 542 HE ARG 66 HE ARG 66 -5.197 4.207 8.040 543 1HH1 ARG 66 HH11 ARG 66 -1.854 3.413 8.653 544 2HH1 ARG 66 HH12 ARG 66 -1.565 4.825 9.613 545 1HH2 ARG 66 HH21 ARG 66 -4.818 6.063 9.303 546 2HH2 ARG 66 HH22 ARG 66 -3.248 6.329 9.982 547 H ALA 67 HN ALA 67 -6.242 2.428 2.569 548 HA ALA 67 HA ALA 67 -5.834 5.060 1.732 549 1HB ALA 67 HB1 ALA 67 -5.820 4.240 -0.460 550 2HB ALA 67 HB2 ALA 67 -6.937 2.930 -0.073 551 3HB ALA 67 HB3 ALA 67 -5.277 2.879 0.521 552 H GLU 68 HN GLU 68 -8.778 3.241 2.172 553 HA GLU 68 HA GLU 68 -10.450 4.985 0.661 554 1HB GLU 68 HB2 GLU 68 -10.890 2.741 2.583 555 2HB GLU 68 HB1 GLU 68 -12.240 3.803 2.212 556 1HG GLU 68 HG2 GLU 68 -10.620 2.449 0.076 557 2HG GLU 68 HG1 GLU 68 -12.020 1.691 0.836 558 H LYS 69 HN LYS 69 -9.679 4.665 4.102 559 HA LYS 69 HA LYS 69 -11.450 6.660 5.017 560 1HB LYS 69 HB2 LYS 69 -10.090 4.826 6.309 561 2HB LYS 69 HB1 LYS 69 -8.876 6.090 6.422 562 1HG LYS 69 HG2 LYS 69 -11.590 6.915 7.169 563 2HG LYS 69 HG1 LYS 69 -10.850 5.697 8.216 564 1HD LYS 69 HD2 LYS 69 -8.819 7.516 7.817 565 2HD LYS 69 HD1 LYS 69 -10.250 8.532 7.940 566 1HE LYS 69 HE2 LYS 69 -10.760 7.741 10.088 567 2HE LYS 69 HE1 LYS 69 -9.696 6.351 9.923 568 1HZ LYS 69 HZ1 LYS 69 -7.801 7.770 10.062 569 2HZ LYS 69 HZ2 LYS 69 -8.814 8.138 11.366 570 3HZ LYS 69 HZ3 LYS 69 -8.758 9.165 10.023 571 H LEU 70 HN LEU 70 -8.243 6.782 3.667 572 HA LEU 70 HA LEU 70 -7.598 9.414 4.519 573 1HB LEU 70 HB2 LEU 70 -6.553 7.789 2.201 574 2HB LEU 70 HB1 LEU 70 -5.856 9.300 2.753 575 HG LEU 70 HG LEU 70 -6.092 6.892 4.545 576 1HD1 LEU 70 HD11 LEU 70 -4.173 5.994 3.777 577 2HD1 LEU 70 HD12 LEU 70 -3.477 7.560 3.362 578 3HD1 LEU 70 HD13 LEU 70 -4.646 6.801 2.282 579 1HD2 LEU 70 HD21 LEU 70 -4.391 9.380 4.637 580 2HD2 LEU 70 HD22 LEU 70 -4.300 8.039 5.777 581 3HD2 LEU 70 HD23 LEU 70 -5.767 9.013 5.676 582 H LYS 71 HN LYS 71 -9.119 8.088 1.624 583 HA LYS 71 HA LYS 71 -9.221 10.575 0.230 584 1HB LYS 71 HB2 LYS 71 -9.491 8.020 -0.557 585 2HB LYS 71 HB1 LYS 71 -11.180 8.454 -0.422 586 1HG LYS 71 HG2 LYS 71 -10.170 10.580 -1.798 587 2HG LYS 71 HG1 LYS 71 -9.200 9.239 -2.409 588 1HD LYS 71 HD2 LYS 71 -11.660 8.128 -2.462 589 2HD LYS 71 HD1 LYS 71 -12.060 9.820 -2.755 590 1HE LYS 71 HE2 LYS 71 -10.030 9.599 -4.452 591 2HE LYS 71 HE1 LYS 71 -10.530 7.909 -4.428 592 1HZ LYS 71 HZ1 LYS 71 -12.810 8.709 -4.954 593 2HZ LYS 71 HZ2 LYS 71 -11.680 8.996 -6.180 594 3HZ LYS 71 HZ3 LYS 71 -12.180 10.262 -5.174 595 H ASP 72 HN ASP 72 -11.520 8.737 2.186 596 HA ASP 72 HA ASP 72 -13.770 10.333 1.763 597 1HB ASP 72 HB2 ASP 72 -12.930 8.312 3.731 598 2HB ASP 72 HB1 ASP 72 -14.130 9.457 4.328 599 H TYR 73 HN TYR 73 -10.990 10.818 3.799 600 HA TYR 73 HA TYR 73 -12.200 12.899 5.376 601 1HB TYR 73 HB2 TYR 73 -10.430 11.511 6.324 602 2HB TYR 73 HB1 TYR 73 -9.311 12.061 5.083 603 HD1 TYR 73 HD1 TYR 73 -8.602 14.471 5.064 604 HD2 TYR 73 HD2 TYR 73 -10.790 12.773 8.293 605 HE1 TYR 73 HE1 TYR 73 -7.918 16.344 6.503 606 HE2 TYR 73 HE2 TYR 73 -10.110 14.642 9.741 607 HH TYR 73 HH TYR 73 -8.691 17.479 8.538 608 H LEU 74 HN LEU 74 -9.724 12.816 2.814 609 HA LEU 74 HA LEU 74 -9.353 15.602 2.692 610 1HB LEU 74 HB2 LEU 74 -8.336 15.161 0.474 611 2HB LEU 74 HB1 LEU 74 -7.695 14.162 1.763 612 HG LEU 74 HG LEU 74 -9.443 12.415 0.904 613 1HD1 LEU 74 HD11 LEU 74 -10.640 13.087 -0.843 614 2HD1 LEU 74 HD12 LEU 74 -9.160 12.992 -1.795 615 3HD1 LEU 74 HD13 LEU 74 -9.642 14.523 -1.065 616 1HD2 LEU 74 HD21 LEU 74 -7.660 11.876 -0.977 617 2HD2 LEU 74 HD22 LEU 74 -7.289 11.690 0.738 618 3HD2 LEU 74 HD23 LEU 74 -6.753 13.129 -0.130 619 H ARG 75 HN ARG 75 -11.570 13.459 0.960 620 HA ARG 75 HA ARG 75 -12.500 15.433 -0.847 621 1HB ARG 75 HB2 ARG 75 -14.190 13.876 -1.473 622 2HB ARG 75 HB1 ARG 75 -12.740 12.940 -1.128 623 1HG ARG 75 HG2 ARG 75 -13.630 12.040 0.808 624 2HG ARG 75 HG1 ARG 75 -14.800 13.338 0.996 625 1HD ARG 75 HD2 ARG 75 -16.230 11.791 0.184 626 2HD ARG 75 HD1 ARG 75 -15.600 12.332 -1.368 627 HE ARG 75 HE ARG 75 -14.090 10.182 -0.193 628 1HH1 ARG 75 HH11 ARG 75 -16.840 10.999 -2.188 629 2HH1 ARG 75 HH12 ARG 75 -16.870 9.467 -2.996 630 1HH2 ARG 75 HH21 ARG 75 -14.130 8.167 -1.255 631 2HH2 ARG 75 HH22 ARG 75 -15.330 7.859 -2.467 632 H SER 76 HN SER 76 -13.370 14.552 2.413 633 HA SER 76 HA SER 76 -15.890 15.785 2.553 634 1HB SER 76 HB2 SER 76 -13.850 14.895 4.518 635 2HB SER 76 HB1 SER 76 -15.050 16.047 5.088 636 HG SER 76 HG SER 76 -16.670 14.601 4.452 637 H LYS 77 HN LYS 77 -12.670 17.033 3.400 638 HA LYS 77 HA LYS 77 -13.760 19.708 3.747 639 1HB LYS 77 HB2 LYS 77 -11.900 18.537 5.176 640 2HB LYS 77 HB1 LYS 77 -10.840 19.074 3.883 641 1HG LYS 77 HG2 LYS 77 -10.970 21.245 4.485 642 2HG LYS 77 HG1 LYS 77 -12.660 21.108 5.006 643 1HD LYS 77 HD2 LYS 77 -12.010 20.117 7.075 644 2HD LYS 77 HD1 LYS 77 -10.350 19.926 6.535 645 1HE LYS 77 HE2 LYS 77 -10.220 21.798 7.892 646 2HE LYS 77 HE1 LYS 77 -10.390 22.500 6.283 647 1HZ LYS 77 HZ1 LYS 77 -12.940 22.298 6.989 648 2HZ LYS 77 HZ2 LYS 77 -12.000 23.673 7.290 649 3HZ LYS 77 HZ3 LYS 77 -12.240 22.531 8.514 Start of MODEL 18 1 1H MET 1 HT1 MET 1 22.284 -2.340 -8.512 2 2H MET 1 HT2 MET 1 22.700 -3.986 -8.254 3 3H MET 1 HT3 MET 1 23.276 -2.775 -7.183 4 HA MET 1 HA MET 1 21.500 -3.987 -6.202 5 1HB MET 1 HB2 MET 1 21.693 -1.174 -6.603 6 2HB MET 1 HB1 MET 1 19.985 -1.589 -6.571 7 1HG MET 1 HG2 MET 1 20.317 -1.259 -4.358 8 2HG MET 1 HG1 MET 1 20.732 -2.970 -4.446 9 1HE MET 1 HE1 MET 1 21.289 -0.899 -2.283 10 2HE MET 1 HE2 MET 1 22.149 0.452 -3.024 11 3HE MET 1 HE3 MET 1 23.003 -0.652 -1.946 12 H THR 2 HN THR 2 19.691 -5.149 -6.460 13 HA THR 2 HA THR 2 18.161 -4.768 -8.950 14 HB THR 2 HB THR 2 19.319 -6.916 -8.877 15 HG1 THR 2 HG1 THR 2 17.488 -7.262 -9.910 16 1HG2 THR 2 HG21 THR 2 18.946 -8.586 -7.259 17 2HG2 THR 2 HG22 THR 2 17.675 -7.647 -6.476 18 3HG2 THR 2 HG23 THR 2 19.354 -7.116 -6.372 19 H THR 3 HN THR 3 16.180 -3.997 -8.701 20 HA THR 3 HA THR 3 14.976 -3.721 -6.127 21 HB THR 3 HB THR 3 13.718 -3.290 -8.843 22 HG1 THR 3 HG1 THR 3 15.290 -1.588 -7.221 23 1HG2 THR 3 HG21 THR 3 12.922 -2.545 -6.081 24 2HG2 THR 3 HG22 THR 3 11.933 -3.065 -7.446 25 3HG2 THR 3 HG23 THR 3 12.581 -1.425 -7.400 26 H SER 4 HN SER 4 12.787 -4.482 -5.602 27 HA SER 4 HA SER 4 12.066 -7.018 -6.888 28 1HB SER 4 HB2 SER 4 13.160 -6.711 -4.227 29 2HB SER 4 HB1 SER 4 11.537 -7.399 -4.155 30 HG SER 4 HG SER 4 12.644 -9.167 -4.547 31 H THR 5 HN THR 5 9.879 -7.796 -6.057 32 HA THR 5 HA THR 5 8.014 -5.632 -6.348 33 HB THR 5 HB THR 5 7.117 -8.373 -5.587 34 HG1 THR 5 HG1 THR 5 7.508 -9.083 -7.709 35 1HG2 THR 5 HG21 THR 5 5.827 -7.693 -7.872 36 2HG2 THR 5 HG22 THR 5 6.084 -6.115 -7.127 37 3HG2 THR 5 HG23 THR 5 5.231 -7.380 -6.242 38 H LEU 6 HN LEU 6 9.104 -7.719 -3.739 39 HA LEU 6 HA LEU 6 7.111 -6.873 -1.873 40 1HB LEU 6 HB2 LEU 6 9.583 -8.519 -1.775 41 2HB LEU 6 HB1 LEU 6 9.007 -7.842 -0.264 42 HG LEU 6 HG LEU 6 8.193 -10.120 -0.594 43 1HD1 LEU 6 HD11 LEU 6 5.871 -8.244 -0.902 44 2HD1 LEU 6 HD12 LEU 6 6.840 -8.322 0.570 45 3HD1 LEU 6 HD13 LEU 6 5.956 -9.746 0.020 46 1HD2 LEU 6 HD21 LEU 6 6.829 -10.780 -2.386 47 2HD2 LEU 6 HD22 LEU 6 8.146 -9.875 -3.131 48 3HD2 LEU 6 HD23 LEU 6 6.569 -9.117 -2.910 49 H GLN 7 HN GLN 7 10.415 -5.903 -2.616 50 HA GLN 7 HA GLN 7 10.744 -4.164 -0.400 51 1HB GLN 7 HB2 GLN 7 12.454 -5.165 -2.189 52 2HB GLN 7 HB1 GLN 7 12.172 -3.605 -2.950 53 1HG GLN 7 HG2 GLN 7 13.961 -3.087 -1.651 54 2HG GLN 7 HG1 GLN 7 12.657 -2.709 -0.525 55 1HE2 GLN 7 HE21 GLN 7 13.214 -3.302 1.437 56 2HE2 GLN 7 HE22 GLN 7 14.005 -4.775 1.875 57 H LYS 8 HN LYS 8 9.385 -3.775 -3.604 58 HA LYS 8 HA LYS 8 9.273 -0.927 -3.547 59 1HB LYS 8 HB2 LYS 8 7.969 -3.043 -5.235 60 2HB LYS 8 HB1 LYS 8 7.508 -1.354 -5.395 61 1HG LYS 8 HG2 LYS 8 10.387 -1.731 -5.454 62 2HG LYS 8 HG1 LYS 8 9.556 -2.623 -6.728 63 1HD LYS 8 HD2 LYS 8 8.283 -0.220 -6.836 64 2HD LYS 8 HD1 LYS 8 9.912 0.271 -6.366 65 1HE LYS 8 HE2 LYS 8 10.150 -1.683 -8.408 66 2HE LYS 8 HE1 LYS 8 8.948 -0.503 -8.931 67 1HZ LYS 8 HZ1 LYS 8 10.499 1.246 -8.692 68 2HZ LYS 8 HZ2 LYS 8 11.304 0.019 -9.533 69 3HZ LYS 8 HZ3 LYS 8 11.616 0.262 -7.889 70 H ALA 9 HN ALA 9 7.148 -3.500 -2.495 71 HA ALA 9 HA ALA 9 4.861 -1.830 -2.090 72 1HB ALA 9 HB1 ALA 9 3.764 -3.724 -1.462 73 2HB ALA 9 HB2 ALA 9 5.153 -4.378 -0.596 74 3HB ALA 9 HB3 ALA 9 5.096 -4.455 -2.357 75 H ILE 10 HN ILE 10 7.463 -3.058 -0.041 76 HA ILE 10 HA ILE 10 6.394 -2.073 2.402 77 HB ILE 10 HB ILE 10 9.290 -2.662 1.786 78 1HG1 ILE 10 HG12 ILE 10 7.551 -4.647 3.159 79 2HG1 ILE 10 HG11 ILE 10 7.344 -4.469 1.420 80 1HG2 ILE 10 HG21 ILE 10 7.725 -2.447 4.345 81 2HG2 ILE 10 HG22 ILE 10 9.118 -1.492 3.839 82 3HG2 ILE 10 HG23 ILE 10 9.318 -3.196 4.248 83 1HD1 ILE 10 HD11 ILE 10 9.542 -5.656 2.951 84 2HD1 ILE 10 HD12 ILE 10 10.032 -4.651 1.588 85 3HD1 ILE 10 HD13 ILE 10 8.953 -6.021 1.330 86 H ASP 11 HN ASP 11 8.385 -0.695 -0.111 87 HA ASP 11 HA ASP 11 9.214 1.573 1.451 88 1HB ASP 11 HB2 ASP 11 10.151 0.398 -0.841 89 2HB ASP 11 HB1 ASP 11 9.345 1.829 -1.474 90 H LEU 12 HN LEU 12 6.606 0.806 -0.737 91 HA LEU 12 HA LEU 12 5.764 3.501 -1.169 92 1HB LEU 12 HB2 LEU 12 4.781 0.801 -1.831 93 2HB LEU 12 HB1 LEU 12 3.535 2.022 -1.659 94 HG LEU 12 HG LEU 12 4.267 1.752 -3.991 95 1HD1 LEU 12 HD11 LEU 12 5.290 4.437 -3.290 96 2HD1 LEU 12 HD12 LEU 12 3.662 4.032 -2.745 97 3HD1 LEU 12 HD13 LEU 12 4.062 3.958 -4.461 98 1HD2 LEU 12 HD21 LEU 12 6.911 2.165 -2.747 99 2HD2 LEU 12 HD22 LEU 12 6.640 2.977 -4.289 100 3HD2 LEU 12 HD23 LEU 12 6.456 1.227 -4.171 101 H VAL 13 HN VAL 13 5.014 1.010 1.181 102 HA VAL 13 HA VAL 13 2.763 2.387 2.304 103 HB VAL 13 HB VAL 13 2.979 0.730 4.161 104 1HG1 VAL 13 HG11 VAL 13 1.788 0.383 1.888 105 2HG1 VAL 13 HG12 VAL 13 2.047 -1.007 2.942 106 3HG1 VAL 13 HG13 VAL 13 3.107 -0.740 1.557 107 1HG2 VAL 13 HG21 VAL 13 5.475 0.515 3.926 108 2HG2 VAL 13 HG22 VAL 13 5.181 -0.486 2.504 109 3HG2 VAL 13 HG23 VAL 13 4.601 -1.008 4.085 110 H THR 14 HN THR 14 6.205 2.296 2.896 111 HA THR 14 HA THR 14 6.122 3.528 5.466 112 HB THR 14 HB THR 14 8.432 3.540 3.520 113 HG1 THR 14 HG1 THR 14 8.424 1.468 3.736 114 1HG2 THR 14 HG21 THR 14 8.915 4.902 5.410 115 2HG2 THR 14 HG22 THR 14 9.779 3.376 5.602 116 3HG2 THR 14 HG23 THR 14 8.303 3.674 6.519 117 H LYS 15 HN LYS 15 6.432 4.712 2.164 118 HA LYS 15 HA LYS 15 6.993 7.412 2.905 119 1HB LYS 15 HB2 LYS 15 7.161 5.983 0.577 120 2HB LYS 15 HB1 LYS 15 5.742 6.976 0.280 121 1HG LYS 15 HG2 LYS 15 6.932 8.934 0.318 122 2HG LYS 15 HG1 LYS 15 8.203 8.267 1.345 123 1HD LYS 15 HD2 LYS 15 8.395 6.717 -0.906 124 2HD LYS 15 HD1 LYS 15 7.957 8.292 -1.570 125 1HE LYS 15 HE2 LYS 15 10.231 8.508 -1.509 126 2HE LYS 15 HE1 LYS 15 9.823 9.132 0.087 127 1HZ LYS 15 HZ1 LYS 15 10.276 6.266 -0.089 128 2HZ LYS 15 HZ2 LYS 15 10.740 7.364 1.110 129 3HZ LYS 15 HZ3 LYS 15 11.638 7.243 -0.319 130 H ALA 16 HN ALA 16 4.093 5.550 2.361 131 HA ALA 16 HA ALA 16 2.330 7.786 2.132 132 1HB ALA 16 HB1 ALA 16 2.045 4.848 2.329 133 2HB ALA 16 HB2 ALA 16 1.311 5.989 1.202 134 3HB ALA 16 HB3 ALA 16 0.662 5.820 2.832 135 H THR 17 HN THR 17 3.129 5.537 4.768 136 HA THR 17 HA THR 17 1.393 6.579 6.690 137 HB THR 17 HB THR 17 2.492 4.458 7.039 138 HG1 THR 17 HG1 THR 17 1.986 5.541 8.936 139 1HG2 THR 17 HG21 THR 17 5.085 5.956 7.313 140 2HG2 THR 17 HG22 THR 17 4.633 4.948 5.939 141 3HG2 THR 17 HG23 THR 17 4.832 4.224 7.535 142 H GLU 18 HN GLU 18 4.774 7.414 5.990 143 HA GLU 18 HA GLU 18 5.037 9.347 8.027 144 1HB GLU 18 HB2 GLU 18 7.022 10.094 6.811 145 2HB GLU 18 HB1 GLU 18 6.968 8.338 6.905 146 1HG GLU 18 HG2 GLU 18 6.084 8.270 4.608 147 2HG GLU 18 HG1 GLU 18 6.230 10.025 4.523 148 H GLU 19 HN GLU 19 3.881 9.516 4.714 149 HA GLU 19 HA GLU 19 3.813 12.343 4.525 150 1HB GLU 19 HB2 GLU 19 2.883 10.059 2.940 151 2HB GLU 19 HB1 GLU 19 1.851 11.475 2.805 152 1HG GLU 19 HG2 GLU 19 3.371 12.636 1.637 153 2HG GLU 19 HG1 GLU 19 4.725 12.015 2.579 154 H ASP 20 HN ASP 20 1.479 9.927 5.596 155 HA ASP 20 HA ASP 20 -0.813 11.476 5.745 156 1HB ASP 20 HB2 ASP 20 -0.188 8.917 6.422 157 2HB ASP 20 HB1 ASP 20 -0.395 9.635 8.016 158 H LYS 21 HN LYS 21 1.870 11.228 8.022 159 HA LYS 21 HA LYS 21 0.643 12.885 10.006 160 1HB LYS 21 HB2 LYS 21 3.319 11.638 9.613 161 2HB LYS 21 HB1 LYS 21 3.203 12.994 10.725 162 1HG LYS 21 HG2 LYS 21 2.662 11.487 12.267 163 2HG LYS 21 HG1 LYS 21 1.088 11.411 11.474 164 1HD LYS 21 HD2 LYS 21 1.930 9.584 10.044 165 2HD LYS 21 HD1 LYS 21 3.465 9.639 10.912 166 1HE LYS 21 HE2 LYS 21 2.593 8.683 12.792 167 2HE LYS 21 HE1 LYS 21 0.982 9.342 12.511 168 1HZ LYS 21 HZ1 LYS 21 1.919 7.383 10.579 169 2HZ LYS 21 HZ2 LYS 21 0.385 7.582 11.263 170 3HZ LYS 21 HZ3 LYS 21 1.601 6.792 12.133 171 H ALA 22 HN ALA 22 2.415 13.467 7.113 172 HA ALA 22 HA ALA 22 3.096 16.195 7.903 173 1HB ALA 22 HB1 ALA 22 4.400 16.303 5.894 174 2HB ALA 22 HB2 ALA 22 3.694 14.801 5.300 175 3HB ALA 22 HB3 ALA 22 4.754 14.779 6.708 176 H LYS 23 HN LYS 23 0.293 15.220 7.390 177 HA LYS 23 HA LYS 23 -1.624 15.960 6.416 178 1HB LYS 23 HB2 LYS 23 0.163 18.348 6.382 179 2HB LYS 23 HB1 LYS 23 -1.351 18.433 5.493 180 1HG LYS 23 HG2 LYS 23 -1.550 17.406 8.243 181 2HG LYS 23 HG1 LYS 23 -1.084 19.101 8.084 182 1HD LYS 23 HD2 LYS 23 -3.334 18.200 6.395 183 2HD LYS 23 HD1 LYS 23 -3.638 18.259 8.132 184 1HE LYS 23 HE2 LYS 23 -2.252 20.604 7.031 185 2HE LYS 23 HE1 LYS 23 -3.899 20.371 6.446 186 1HZ LYS 23 HZ1 LYS 23 -4.438 20.069 8.932 187 2HZ LYS 23 HZ2 LYS 23 -4.198 21.632 8.335 188 3HZ LYS 23 HZ3 LYS 23 -2.965 20.859 9.196 189 H ASN 24 HN ASN 24 -0.025 14.353 4.781 190 HA ASN 24 HA ASN 24 -0.376 15.566 2.121 191 1HB ASN 24 HB2 ASN 24 1.619 13.671 3.240 192 2HB ASN 24 HB1 ASN 24 1.116 13.398 1.574 193 1HD2 ASN 24 HD21 ASN 24 1.586 16.384 3.418 194 2HD2 ASN 24 HD22 ASN 24 2.769 17.058 2.354 195 H TYR 25 HN TYR 25 -2.655 14.670 3.315 196 HA TYR 25 HA TYR 25 -3.399 12.030 3.028 197 1HB TYR 25 HB2 TYR 25 -5.004 14.558 2.649 198 2HB TYR 25 HB1 TYR 25 -5.730 12.954 2.634 199 HD1 TYR 25 HD1 TYR 25 -3.872 15.369 4.734 200 HD2 TYR 25 HD2 TYR 25 -6.188 11.801 4.653 201 HE1 TYR 25 HE1 TYR 25 -4.045 15.432 7.186 202 HE2 TYR 25 HE2 TYR 25 -6.369 11.856 7.104 203 HH TYR 25 HH TYR 25 -5.240 12.790 9.015 204 H GLU 26 HN GLU 26 -3.267 14.558 0.569 205 HA GLU 26 HA GLU 26 -4.515 13.091 -1.497 206 1HB GLU 26 HB2 GLU 26 -2.836 15.539 -1.330 207 2HB GLU 26 HB1 GLU 26 -2.968 14.763 -2.902 208 1HG GLU 26 HG2 GLU 26 -5.480 15.227 -1.411 209 2HG GLU 26 HG1 GLU 26 -4.656 16.638 -2.073 210 H GLU 27 HN GLU 27 -1.119 13.492 -0.574 211 HA GLU 27 HA GLU 27 -0.108 11.905 -2.720 212 1HB GLU 27 HB2 GLU 27 1.061 13.693 -1.152 213 2HB GLU 27 HB1 GLU 27 1.435 12.270 -0.192 214 1HG GLU 27 HG2 GLU 27 3.233 12.069 -1.480 215 2HG GLU 27 HG1 GLU 27 2.128 11.480 -2.721 216 H ALA 28 HN ALA 28 -0.916 11.294 0.661 217 HA ALA 28 HA ALA 28 0.148 8.721 0.895 218 1HB ALA 28 HB1 ALA 28 -2.384 9.234 2.314 219 2HB ALA 28 HB2 ALA 28 -1.091 10.399 2.595 220 3HB ALA 28 HB3 ALA 28 -0.824 8.688 2.931 221 H LEU 29 HN LEU 29 -2.889 9.846 -0.461 222 HA LEU 29 HA LEU 29 -4.179 7.345 -0.644 223 1HB LEU 29 HB2 LEU 29 -5.149 9.708 -0.935 224 2HB LEU 29 HB1 LEU 29 -4.579 9.599 -2.590 225 HG LEU 29 HG LEU 29 -5.964 7.491 -2.811 226 1HD1 LEU 29 HD11 LEU 29 -6.199 7.069 -0.395 227 2HD1 LEU 29 HD12 LEU 29 -7.753 7.142 -1.225 228 3HD1 LEU 29 HD13 LEU 29 -7.204 8.512 -0.260 229 1HD2 LEU 29 HD21 LEU 29 -6.578 9.864 -3.557 230 2HD2 LEU 29 HD22 LEU 29 -7.647 9.887 -2.155 231 3HD2 LEU 29 HD23 LEU 29 -7.879 8.681 -3.421 232 H ARG 30 HN ARG 30 -2.115 9.118 -2.914 233 HA ARG 30 HA ARG 30 -2.334 7.155 -4.981 234 1HB ARG 30 HB2 ARG 30 -0.665 9.595 -4.527 235 2HB ARG 30 HB1 ARG 30 -0.187 8.459 -5.781 236 1HG ARG 30 HG2 ARG 30 -1.480 10.028 -6.905 237 2HG ARG 30 HG1 ARG 30 -2.590 8.683 -6.635 238 1HD ARG 30 HD2 ARG 30 -3.170 9.995 -4.447 239 2HD ARG 30 HD1 ARG 30 -2.499 11.367 -5.329 240 HE ARG 30 HE ARG 30 -5.005 10.046 -5.817 241 1HH1 ARG 30 HH11 ARG 30 -2.480 12.003 -7.224 242 2HH1 ARG 30 HH12 ARG 30 -3.504 12.659 -8.457 243 1HH2 ARG 30 HH21 ARG 30 -6.352 10.908 -7.438 244 2HH2 ARG 30 HH22 ARG 30 -5.704 12.038 -8.578 245 H LEU 31 HN LEU 31 -0.080 7.782 -2.360 246 HA LEU 31 HA LEU 31 1.906 5.935 -3.224 247 1HB LEU 31 HB2 LEU 31 1.376 7.559 -0.812 248 2HB LEU 31 HB1 LEU 31 2.336 6.113 -0.559 249 HG LEU 31 HG LEU 31 3.689 8.162 -0.944 250 1HD1 LEU 31 HD11 LEU 31 4.123 6.269 -3.223 251 2HD1 LEU 31 HD12 LEU 31 4.364 5.757 -1.553 252 3HD1 LEU 31 HD13 LEU 31 5.314 7.088 -2.213 253 1HD2 LEU 31 HD21 LEU 31 3.506 9.465 -2.771 254 2HD2 LEU 31 HD22 LEU 31 1.880 8.787 -2.849 255 3HD2 LEU 31 HD23 LEU 31 3.169 8.104 -3.840 256 H TYR 32 HN TYR 32 -0.945 5.709 -1.191 257 HA TYR 32 HA TYR 32 -0.357 3.110 -0.167 258 1HB TYR 32 HB2 TYR 32 -2.569 5.039 -0.003 259 2HB TYR 32 HB1 TYR 32 -3.080 3.355 0.057 260 HD1 TYR 32 HD1 TYR 32 -1.554 1.860 1.690 261 HD2 TYR 32 HD2 TYR 32 -2.116 6.066 2.007 262 HE1 TYR 32 HE1 TYR 32 -0.945 1.756 4.070 263 HE2 TYR 32 HE2 TYR 32 -1.507 5.973 4.388 264 HH TYR 32 HH TYR 32 -1.642 3.694 6.234 265 H GLN 33 HN GLN 33 -2.468 4.317 -2.755 266 HA GLN 33 HA GLN 33 -3.562 1.867 -3.529 267 1HB GLN 33 HB2 GLN 33 -3.063 4.437 -5.010 268 2HB GLN 33 HB1 GLN 33 -3.786 3.048 -5.811 269 1HG GLN 33 HG2 GLN 33 -5.568 3.051 -4.088 270 2HG GLN 33 HG1 GLN 33 -4.874 4.533 -3.431 271 1HE2 GLN 33 HE21 GLN 33 -4.604 6.317 -5.055 272 2HE2 GLN 33 HE22 GLN 33 -5.890 6.550 -6.185 273 H HIS 34 HN HIS 34 -0.524 3.411 -4.406 274 HA HIS 34 HA HIS 34 0.163 1.660 -6.517 275 1HB HIS 34 HB2 HIS 34 1.523 3.727 -4.911 276 2HB HIS 34 HB1 HIS 34 2.582 2.485 -5.574 277 HD1 HIS 34 HD1 HIS 34 3.612 3.385 -7.626 278 HD2 HIS 34 HD2 HIS 34 -0.386 4.472 -7.309 279 HE1 HIS 34 HE1 HIS 34 3.095 4.664 -9.729 280 HE2 HIS 34 HE2 HIS 34 0.695 5.389 -9.473 281 H ALA 35 HN ALA 35 0.789 1.592 -3.042 282 HA ALA 35 HA ALA 35 2.560 -0.599 -3.039 283 1HB ALA 35 HB1 ALA 35 0.805 -0.275 -0.693 284 2HB ALA 35 HB2 ALA 35 1.745 1.143 -1.160 285 3HB ALA 35 HB3 ALA 35 2.564 -0.375 -0.794 286 H VAL 36 HN VAL 36 -0.922 -0.388 -3.142 287 HA VAL 36 HA VAL 36 -1.423 -3.107 -2.428 288 HB VAL 36 HB VAL 36 -3.243 -1.280 -3.998 289 1HG1 VAL 36 HG11 VAL 36 -4.312 -3.287 -4.089 290 2HG1 VAL 36 HG12 VAL 36 -4.889 -2.744 -2.514 291 3HG1 VAL 36 HG13 VAL 36 -3.550 -3.887 -2.617 292 1HG2 VAL 36 HG21 VAL 36 -4.184 -1.112 -1.488 293 2HG2 VAL 36 HG22 VAL 36 -3.044 0.045 -2.175 294 3HG2 VAL 36 HG23 VAL 36 -2.460 -1.266 -1.151 295 H GLU 37 HN GLU 37 -0.835 -1.399 -5.430 296 HA GLU 37 HA GLU 37 -1.676 -3.486 -7.168 297 1HB GLU 37 HB2 GLU 37 0.167 -1.132 -7.602 298 2HB GLU 37 HB1 GLU 37 -0.343 -2.222 -8.884 299 1HG GLU 37 HG2 GLU 37 -2.341 -0.779 -7.186 300 2HG GLU 37 HG1 GLU 37 -1.598 -0.011 -8.588 301 H TYR 38 HN TYR 38 1.405 -2.618 -5.695 302 HA TYR 38 HA TYR 38 2.943 -4.523 -7.160 303 1HB TYR 38 HB2 TYR 38 3.420 -2.725 -4.831 304 2HB TYR 38 HB1 TYR 38 4.524 -4.075 -5.069 305 HD1 TYR 38 HD1 TYR 38 6.055 -4.115 -6.936 306 HD2 TYR 38 HD2 TYR 38 3.291 -0.914 -6.473 307 HE1 TYR 38 HE1 TYR 38 7.297 -2.808 -8.608 308 HE2 TYR 38 HE2 TYR 38 4.524 0.401 -8.144 309 HH TYR 38 HH TYR 38 6.799 0.507 -9.092 310 H PHE 39 HN PHE 39 1.174 -4.567 -4.142 311 HA PHE 39 HA PHE 39 2.288 -7.007 -3.173 312 1HB PHE 39 HB2 PHE 39 0.063 -5.203 -2.396 313 2HB PHE 39 HB1 PHE 39 -0.048 -6.872 -1.849 314 HD1 PHE 39 HD1 PHE 39 0.845 -3.792 -0.779 315 HD2 PHE 39 HD2 PHE 39 2.483 -7.710 -1.052 316 HE1 PHE 39 HE1 PHE 39 2.373 -3.279 1.081 317 HE2 PHE 39 HE2 PHE 39 4.013 -7.204 0.808 318 HZ PHE 39 HZ PHE 39 3.959 -4.987 1.876 319 H LEU 40 HN LEU 40 -0.648 -6.167 -4.962 320 HA LEU 40 HA LEU 40 -1.791 -8.744 -4.955 321 1HB LEU 40 HB2 LEU 40 -2.153 -6.280 -6.603 322 2HB LEU 40 HB1 LEU 40 -2.892 -7.777 -7.140 323 HG LEU 40 HG LEU 40 -3.369 -6.556 -4.422 324 1HD1 LEU 40 HD11 LEU 40 -4.794 -6.208 -7.030 325 2HD1 LEU 40 HD12 LEU 40 -4.321 -4.990 -5.847 326 3HD1 LEU 40 HD13 LEU 40 -5.661 -6.083 -5.501 327 1HD2 LEU 40 HD21 LEU 40 -5.280 -8.416 -5.680 328 2HD2 LEU 40 HD22 LEU 40 -4.774 -8.271 -3.997 329 3HD2 LEU 40 HD23 LEU 40 -3.747 -9.115 -5.157 330 H HIS 41 HN HIS 41 0.275 -7.085 -7.319 331 HA HIS 41 HA HIS 41 0.300 -9.138 -9.239 332 1HB HIS 41 HB2 HIS 41 1.064 -6.737 -9.541 333 2HB HIS 41 HB1 HIS 41 2.558 -7.201 -8.731 334 HD1 HIS 41 HD1 HIS 41 1.450 -6.626 -11.960 335 HD2 HIS 41 HD2 HIS 41 3.536 -9.769 -10.220 336 HE1 HIS 41 HE1 HIS 41 2.621 -7.790 -13.860 337 HE2 HIS 41 HE2 HIS 41 3.808 -9.739 -12.790 338 H ALA 42 HN ALA 42 2.270 -8.556 -6.386 339 HA ALA 42 HA ALA 42 4.283 -10.450 -6.906 340 1HB ALA 42 HB1 ALA 42 3.524 -10.020 -4.088 341 2HB ALA 42 HB2 ALA 42 3.932 -8.577 -5.012 342 3HB ALA 42 HB3 ALA 42 5.097 -9.894 -4.875 343 H ILE 43 HN ILE 43 1.158 -10.710 -5.276 344 HA ILE 43 HA ILE 43 1.502 -13.380 -4.373 345 HB ILE 43 HB ILE 43 -1.114 -12.000 -4.976 346 1HG1 ILE 43 HG12 ILE 43 0.009 -12.090 -2.221 347 2HG1 ILE 43 HG11 ILE 43 0.720 -10.930 -3.341 348 1HG2 ILE 43 HG21 ILE 43 -1.431 -14.330 -4.618 349 2HG2 ILE 43 HG22 ILE 43 -1.936 -13.490 -3.151 350 3HG2 ILE 43 HG23 ILE 43 -0.378 -14.320 -3.204 351 1HD1 ILE 43 HD11 ILE 43 -1.996 -10.580 -3.670 352 2HD1 ILE 43 HD12 ILE 43 -0.906 -9.555 -2.736 353 3HD1 ILE 43 HD13 ILE 43 -1.805 -10.840 -1.937 354 H LYS 44 HN LYS 44 -0.263 -12.040 -7.166 355 HA LYS 44 HA LYS 44 -1.119 -14.470 -8.238 356 1HB LYS 44 HB2 LYS 44 -1.536 -11.890 -8.880 357 2HB LYS 44 HB1 LYS 44 -0.401 -12.320 -10.140 358 1HG LYS 44 HG2 LYS 44 -2.508 -14.300 -9.799 359 2HG LYS 44 HG1 LYS 44 -3.123 -12.690 -10.200 360 1HD LYS 44 HD2 LYS 44 -2.716 -13.330 -12.320 361 2HD LYS 44 HD1 LYS 44 -1.045 -12.910 -11.940 362 1HE LYS 44 HE2 LYS 44 -0.381 -15.070 -11.910 363 2HE LYS 44 HE1 LYS 44 -1.883 -15.630 -11.170 364 1HZ LYS 44 HZ1 LYS 44 -1.718 -14.780 -14.010 365 2HZ LYS 44 HZ2 LYS 44 -2.951 -15.660 -13.250 366 3HZ LYS 44 HZ3 LYS 44 -1.444 -16.380 -13.520 367 H TYR 45 HN TYR 45 1.739 -12.530 -9.115 368 HA TYR 45 HA TYR 45 2.760 -14.530 -10.880 369 1HB TYR 45 HB2 TYR 45 3.683 -11.890 -9.862 370 2HB TYR 45 HB1 TYR 45 4.914 -12.990 -10.470 371 HD1 TYR 45 HD1 TYR 45 1.477 -11.940 -11.530 372 HD2 TYR 45 HD2 TYR 45 5.534 -12.570 -12.640 373 HE1 TYR 45 HE1 TYR 45 0.947 -11.240 -13.820 374 HE2 TYR 45 HE2 TYR 45 5.016 -11.870 -14.940 375 HH TYR 45 HH TYR 45 3.043 -11.740 -16.430 376 H GLU 46 HN GLU 46 4.132 -13.220 -7.858 377 HA GLU 46 HA GLU 46 5.634 -15.700 -7.510 378 1HB GLU 46 HB2 GLU 46 5.758 -12.980 -6.250 379 2HB GLU 46 HB1 GLU 46 6.547 -14.350 -5.485 380 1HG GLU 46 HG2 GLU 46 7.159 -14.100 -8.322 381 2HG GLU 46 HG1 GLU 46 7.652 -12.700 -7.372 382 H ALA 47 HN ALA 47 3.983 -17.130 -6.914 383 HA ALA 47 HA ALA 47 2.391 -16.530 -4.555 384 1HB ALA 47 HB1 ALA 47 1.477 -17.690 -6.610 385 2HB ALA 47 HB2 ALA 47 1.133 -18.460 -5.063 386 3HB ALA 47 HB3 ALA 47 2.400 -19.110 -6.106 387 H HIS 48 HN HIS 48 3.720 -16.580 -2.794 388 HA HIS 48 HA HIS 48 5.656 -18.660 -2.391 389 1HB HIS 48 HB2 HIS 48 4.960 -16.130 -1.154 390 2HB HIS 48 HB1 HIS 48 5.190 -17.380 0.068 391 HD1 HIS 48 HD1 HIS 48 7.566 -18.780 -0.302 392 HD2 HIS 48 HD2 HIS 48 7.269 -14.960 -1.906 393 HE1 HIS 48 HE1 HIS 48 9.934 -18.020 -0.691 394 HE2 HIS 48 HE2 HIS 48 9.731 -15.680 -1.588 395 H SER 49 HN SER 49 5.422 -19.330 0.254 396 HA SER 49 HA SER 49 3.589 -21.460 0.176 397 1HB SER 49 HB2 SER 49 4.923 -20.250 2.610 398 2HB SER 49 HB1 SER 49 4.223 -21.860 2.498 399 HG SER 49 HG SER 49 5.923 -22.540 1.423 400 H ASP 50 HN ASP 50 2.045 -21.790 2.158 401 HA ASP 50 HA ASP 50 -0.103 -19.990 1.832 402 1HB ASP 50 HB2 ASP 50 0.446 -22.220 3.778 403 2HB ASP 50 HB1 ASP 50 -1.018 -21.250 3.890 404 H LYS 51 HN LYS 51 2.488 -20.180 4.168 405 HA LYS 51 HA LYS 51 1.379 -18.470 6.127 406 1HB LYS 51 HB2 LYS 51 3.546 -20.030 6.088 407 2HB LYS 51 HB1 LYS 51 4.324 -18.500 5.692 408 1HG LYS 51 HG2 LYS 51 3.419 -17.500 7.725 409 2HG LYS 51 HG1 LYS 51 2.622 -19.020 8.120 410 1HD LYS 51 HD2 LYS 51 4.480 -19.510 9.272 411 2HD LYS 51 HD1 LYS 51 5.224 -19.800 7.699 412 1HE LYS 51 HE2 LYS 51 5.170 -16.980 8.544 413 2HE LYS 51 HE1 LYS 51 6.153 -18.040 9.556 414 1HZ LYS 51 HZ1 LYS 51 6.439 -17.490 6.664 415 2HZ LYS 51 HZ2 LYS 51 7.169 -18.830 7.392 416 3HZ LYS 51 HZ3 LYS 51 7.580 -17.270 7.893 417 H ALA 52 HN ALA 52 3.589 -17.830 3.417 418 HA ALA 52 HA ALA 52 3.699 -15.020 3.915 419 1HB ALA 52 HB1 ALA 52 4.826 -16.890 1.963 420 2HB ALA 52 HB2 ALA 52 5.555 -15.490 2.747 421 3HB ALA 52 HB3 ALA 52 4.520 -15.270 1.336 422 H LYS 53 HN LYS 53 1.976 -17.060 1.577 423 HA LYS 53 HA LYS 53 0.764 -15.010 0.105 424 1HB LYS 53 HB2 LYS 53 0.068 -17.880 0.624 425 2HB LYS 53 HB1 LYS 53 -1.041 -16.860 -0.275 426 1HG LYS 53 HG2 LYS 53 0.895 -16.320 -1.807 427 2HG LYS 53 HG1 LYS 53 1.767 -17.630 -1.003 428 1HD LYS 53 HD2 LYS 53 -0.876 -17.890 -2.438 429 2HD LYS 53 HD1 LYS 53 0.693 -18.400 -3.065 430 1HE LYS 53 HE2 LYS 53 0.785 -19.770 -0.828 431 2HE LYS 53 HE1 LYS 53 -0.968 -19.590 -0.893 432 1HZ LYS 53 HZ1 LYS 53 -1.055 -20.720 -2.948 433 2HZ LYS 53 HZ2 LYS 53 -0.040 -21.640 -1.962 434 3HZ LYS 53 HZ3 LYS 53 0.623 -20.650 -3.158 435 H GLU 54 HN GLU 54 -0.107 -16.480 3.163 436 HA GLU 54 HA GLU 54 -2.724 -15.340 3.289 437 1HB GLU 54 HB2 GLU 54 -0.944 -16.820 5.162 438 2HB GLU 54 HB1 GLU 54 -2.267 -15.890 5.849 439 1HG GLU 54 HG2 GLU 54 -3.666 -17.170 4.019 440 2HG GLU 54 HG1 GLU 54 -2.337 -18.320 4.133 441 H SER 55 HN SER 55 0.463 -14.430 4.492 442 HA SER 55 HA SER 55 -0.376 -12.280 6.111 443 1HB SER 55 HB2 SER 55 2.240 -13.030 4.838 444 2HB SER 55 HB1 SER 55 2.069 -11.500 5.692 445 HG SER 55 HG SER 55 2.790 -13.470 6.911 446 H ILE 56 HN ILE 56 0.569 -12.490 2.715 447 HA ILE 56 HA ILE 56 0.506 -9.688 2.234 448 HB ILE 56 HB ILE 56 0.174 -11.890 0.197 449 1HG1 ILE 56 HG12 ILE 56 2.797 -10.570 0.795 450 2HG1 ILE 56 HG11 ILE 56 2.248 -11.890 1.821 451 1HG2 ILE 56 HG21 ILE 56 1.167 -10.220 -1.334 452 2HG2 ILE 56 HG22 ILE 56 1.108 -9.035 -0.034 453 3HG2 ILE 56 HG23 ILE 56 -0.387 -9.717 -0.675 454 1HD1 ILE 56 HD11 ILE 56 3.526 -12.990 0.266 455 2HD1 ILE 56 HD12 ILE 56 3.032 -11.920 -1.050 456 3HD1 ILE 56 HD13 ILE 56 1.913 -13.140 -0.432 457 H ARG 57 HN ARG 57 -1.855 -12.280 1.981 458 HA ARG 57 HA ARG 57 -3.828 -10.780 0.591 459 1HB ARG 57 HB2 ARG 57 -3.576 -13.370 1.031 460 2HB ARG 57 HB1 ARG 57 -4.574 -13.020 2.432 461 1HG ARG 57 HG2 ARG 57 -6.251 -13.440 0.999 462 2HG ARG 57 HG1 ARG 57 -5.990 -11.760 0.529 463 1HD ARG 57 HD2 ARG 57 -4.456 -12.540 -1.250 464 2HD ARG 57 HD1 ARG 57 -4.843 -14.200 -0.812 465 HE ARG 57 HE ARG 57 -6.834 -14.000 -1.922 466 1HH1 ARG 57 HH11 ARG 57 -5.489 -10.820 -1.419 467 2HH1 ARG 57 HH12 ARG 57 -6.664 -10.030 -2.415 468 1HH2 ARG 57 HH21 ARG 57 -8.380 -12.960 -3.233 469 2HH2 ARG 57 HH22 ARG 57 -8.306 -11.240 -3.445 470 H ALA 58 HN ALA 58 -3.258 -11.450 4.023 471 HA ALA 58 HA ALA 58 -5.585 -10.090 4.938 472 1HB ALA 58 HB1 ALA 58 -4.489 -10.230 7.165 473 2HB ALA 58 HB2 ALA 58 -3.061 -10.900 6.374 474 3HB ALA 58 HB3 ALA 58 -4.591 -11.770 6.325 475 H LYS 59 HN LYS 59 -2.277 -9.129 4.293 476 HA LYS 59 HA LYS 59 -2.415 -6.611 5.607 477 1HB LYS 59 HB2 LYS 59 -0.517 -8.028 3.863 478 2HB LYS 59 HB1 LYS 59 -0.477 -6.277 3.708 479 1HG LYS 59 HG2 LYS 59 0.206 -5.966 5.893 480 2HG LYS 59 HG1 LYS 59 -0.392 -7.543 6.411 481 1HD LYS 59 HD2 LYS 59 1.422 -8.366 4.645 482 2HD LYS 59 HD1 LYS 59 2.153 -6.816 5.070 483 1HE LYS 59 HE2 LYS 59 1.500 -7.793 7.521 484 2HE LYS 59 HE1 LYS 59 1.879 -9.277 6.648 485 1HZ LYS 59 HZ1 LYS 59 4.030 -8.417 6.102 486 2HZ LYS 59 HZ2 LYS 59 3.813 -8.277 7.774 487 3HZ LYS 59 HZ3 LYS 59 3.668 -6.912 6.785 488 H CYS 60 HN CYS 60 -3.141 -7.724 2.358 489 HA CYS 60 HA CYS 60 -3.340 -5.218 1.101 490 1HB CYS 60 HB2 CYS 60 -4.311 -7.970 0.530 491 2HB CYS 60 HB1 CYS 60 -5.092 -6.650 -0.334 492 HG CYS 60 HG CYS 60 -2.972 -6.188 -1.599 493 H VAL 61 HN VAL 61 -5.654 -7.108 2.962 494 HA VAL 61 HA VAL 61 -7.931 -5.528 2.373 495 HB VAL 61 HB VAL 61 -7.480 -7.154 4.875 496 1HG1 VAL 61 HG11 VAL 61 -9.940 -6.180 3.442 497 2HG1 VAL 61 HG12 VAL 61 -9.427 -5.820 5.091 498 3HG1 VAL 61 HG13 VAL 61 -9.977 -7.443 4.672 499 1HG2 VAL 61 HG21 VAL 61 -7.927 -7.978 2.076 500 2HG2 VAL 61 HG22 VAL 61 -8.910 -8.791 3.294 501 3HG2 VAL 61 HG23 VAL 61 -7.151 -8.840 3.405 502 H GLN 62 HN GLN 62 -5.486 -5.387 4.913 503 HA GLN 62 HA GLN 62 -6.802 -3.322 6.392 504 1HB GLN 62 HB2 GLN 62 -4.188 -4.729 6.529 505 2HB GLN 62 HB1 GLN 62 -4.290 -3.150 7.296 506 1HG GLN 62 HG2 GLN 62 -5.999 -3.870 8.763 507 2HG GLN 62 HG1 GLN 62 -6.236 -5.366 7.860 508 1HE2 GLN 62 HE21 GLN 62 -4.407 -3.743 10.267 509 2HE2 GLN 62 HE22 GLN 62 -3.412 -5.077 10.728 510 H TYR 63 HN TYR 63 -4.327 -3.429 3.898 511 HA TYR 63 HA TYR 63 -3.580 -0.690 4.101 512 1HB TYR 63 HB2 TYR 63 -3.181 -2.813 2.008 513 2HB TYR 63 HB1 TYR 63 -2.685 -1.149 1.719 514 HD1 TYR 63 HD1 TYR 63 -1.410 -4.179 2.532 515 HD2 TYR 63 HD2 TYR 63 -1.427 -0.198 4.033 516 HE1 TYR 63 HE1 TYR 63 0.708 -4.617 3.701 517 HE2 TYR 63 HE2 TYR 63 0.693 -0.625 5.205 518 HH TYR 63 HH TYR 63 2.731 -2.445 4.718 519 H LEU 64 HN LEU 64 -5.965 -2.457 2.216 520 HA LEU 64 HA LEU 64 -6.661 -0.291 0.506 521 1HB LEU 64 HB2 LEU 64 -7.859 -2.942 1.178 522 2HB LEU 64 HB1 LEU 64 -8.837 -1.765 0.322 523 HG LEU 64 HG LEU 64 -6.129 -2.358 -0.760 524 1HD1 LEU 64 HD11 LEU 64 -8.438 -4.159 -1.401 525 2HD1 LEU 64 HD12 LEU 64 -7.292 -4.546 -0.118 526 3HD1 LEU 64 HD13 LEU 64 -6.729 -4.369 -1.779 527 1HD2 LEU 64 HD21 LEU 64 -7.116 -0.848 -2.132 528 2HD2 LEU 64 HD22 LEU 64 -8.748 -1.361 -1.705 529 3HD2 LEU 64 HD23 LEU 64 -7.796 -2.311 -2.846 530 H ASP 65 HN ASP 65 -7.671 -1.308 3.685 531 HA ASP 65 HA ASP 65 -10.050 0.253 3.778 532 1HB ASP 65 HB2 ASP 65 -9.133 -1.763 5.295 533 2HB ASP 65 HB1 ASP 65 -8.644 -0.406 6.305 534 H ARG 66 HN ARG 66 -6.692 0.831 4.552 535 HA ARG 66 HA ARG 66 -7.156 3.285 5.952 536 1HB ARG 66 HB2 ARG 66 -5.056 1.595 5.837 537 2HB ARG 66 HB1 ARG 66 -4.518 2.815 4.692 538 1HG ARG 66 HG2 ARG 66 -3.635 3.623 6.639 539 2HG ARG 66 HG1 ARG 66 -5.181 4.474 6.600 540 1HD ARG 66 HD2 ARG 66 -5.166 1.830 7.918 541 2HD ARG 66 HD1 ARG 66 -4.289 3.120 8.740 542 HE ARG 66 HE ARG 66 -6.665 4.268 8.163 543 1HH1 ARG 66 HH11 ARG 66 -5.789 1.278 9.735 544 2HH1 ARG 66 HH12 ARG 66 -7.191 1.257 10.752 545 1HH2 ARG 66 HH21 ARG 66 -8.509 4.241 9.499 546 2HH2 ARG 66 HH22 ARG 66 -8.736 2.939 10.618 547 H ALA 67 HN ALA 67 -6.545 2.373 2.632 548 HA ALA 67 HA ALA 67 -5.891 4.957 1.663 549 1HB ALA 67 HB1 ALA 67 -7.129 2.738 0.052 550 2HB ALA 67 HB2 ALA 67 -5.429 2.756 0.520 551 3HB ALA 67 HB3 ALA 67 -6.073 4.035 -0.510 552 H GLU 68 HN GLU 68 -8.902 3.306 2.276 553 HA GLU 68 HA GLU 68 -10.550 5.032 0.731 554 1HB GLU 68 HB2 GLU 68 -11.020 2.979 2.855 555 2HB GLU 68 HB1 GLU 68 -12.330 4.064 2.412 556 1HG GLU 68 HG2 GLU 68 -12.180 3.326 0.098 557 2HG GLU 68 HG1 GLU 68 -10.840 2.260 0.521 558 H LYS 69 HN LYS 69 -9.699 4.902 4.171 559 HA LYS 69 HA LYS 69 -11.320 7.046 5.000 560 1HB LYS 69 HB2 LYS 69 -9.704 5.234 6.259 561 2HB LYS 69 HB1 LYS 69 -8.784 6.720 6.453 562 1HG LYS 69 HG2 LYS 69 -10.040 6.964 8.288 563 2HG LYS 69 HG1 LYS 69 -11.240 7.577 7.147 564 1HD LYS 69 HD2 LYS 69 -12.160 5.276 6.956 565 2HD LYS 69 HD1 LYS 69 -11.030 4.762 8.209 566 1HE LYS 69 HE2 LYS 69 -12.140 5.887 9.868 567 2HE LYS 69 HE1 LYS 69 -12.800 7.086 8.759 568 1HZ LYS 69 HZ1 LYS 69 -14.570 5.806 8.291 569 2HZ LYS 69 HZ2 LYS 69 -14.230 5.105 9.792 570 3HZ LYS 69 HZ3 LYS 69 -13.710 4.354 8.370 571 H LEU 70 HN LEU 70 -8.165 6.932 3.514 572 HA LEU 70 HA LEU 70 -7.336 9.560 4.142 573 1HB LEU 70 HB2 LEU 70 -6.587 7.661 1.931 574 2HB LEU 70 HB1 LEU 70 -5.855 9.246 2.092 575 HG LEU 70 HG LEU 70 -5.787 7.224 4.321 576 1HD1 LEU 70 HD11 LEU 70 -4.154 7.392 1.855 577 2HD1 LEU 70 HD12 LEU 70 -4.588 5.993 2.837 578 3HD1 LEU 70 HD13 LEU 70 -3.308 7.082 3.371 579 1HD2 LEU 70 HD21 LEU 70 -3.627 8.652 4.707 580 2HD2 LEU 70 HD22 LEU 70 -5.201 9.248 5.236 581 3HD2 LEU 70 HD23 LEU 70 -4.490 9.845 3.736 582 H LYS 71 HN LYS 71 -8.894 8.214 1.239 583 HA LYS 71 HA LYS 71 -9.116 10.712 -0.089 584 1HB LYS 71 HB2 LYS 71 -10.680 9.509 -1.595 585 2HB LYS 71 HB1 LYS 71 -9.157 8.665 -1.366 586 1HG LYS 71 HG2 LYS 71 -10.110 6.981 -0.121 587 2HG LYS 71 HG1 LYS 71 -11.490 7.976 0.351 588 1HD LYS 71 HD2 LYS 71 -12.630 6.924 -1.256 589 2HD LYS 71 HD1 LYS 71 -11.680 7.868 -2.405 590 1HE LYS 71 HE2 LYS 71 -10.030 6.087 -2.525 591 2HE LYS 71 HE1 LYS 71 -10.930 5.153 -1.328 592 1HZ LYS 71 HZ1 LYS 71 -12.650 4.761 -2.822 593 2HZ LYS 71 HZ2 LYS 71 -11.260 4.573 -3.765 594 3HZ LYS 71 HZ3 LYS 71 -12.170 5.996 -3.874 595 H ASP 72 HN ASP 72 -11.180 8.940 2.118 596 HA ASP 72 HA ASP 72 -13.520 10.491 1.702 597 1HB ASP 72 HB2 ASP 72 -12.610 8.455 3.653 598 2HB ASP 72 HB1 ASP 72 -13.870 9.547 4.207 599 H TYR 73 HN TYR 73 -10.690 10.868 3.708 600 HA TYR 73 HA TYR 73 -11.790 12.866 5.424 601 1HB TYR 73 HB2 TYR 73 -9.854 11.507 6.088 602 2HB TYR 73 HB1 TYR 73 -8.902 12.223 4.791 603 HD1 TYR 73 HD1 TYR 73 -10.010 12.554 8.186 604 HD2 TYR 73 HD2 TYR 73 -8.442 14.718 4.876 605 HE1 TYR 73 HE1 TYR 73 -9.318 14.359 9.703 606 HE2 TYR 73 HE2 TYR 73 -7.743 16.530 6.384 607 HH TYR 73 HH TYR 73 -7.147 16.675 8.935 608 H LEU 74 HN LEU 74 -9.602 12.992 2.618 609 HA LEU 74 HA LEU 74 -9.475 15.831 2.560 610 1HB LEU 74 HB2 LEU 74 -8.446 15.531 0.349 611 2HB LEU 74 HB1 LEU 74 -7.716 14.506 1.570 612 HG LEU 74 HG LEU 74 -9.494 12.761 0.595 613 1HD1 LEU 74 HD11 LEU 74 -9.205 13.152 -1.992 614 2HD1 LEU 74 HD12 LEU 74 -9.141 14.844 -1.498 615 3HD1 LEU 74 HD13 LEU 74 -10.550 13.863 -1.103 616 1HD2 LEU 74 HD21 LEU 74 -6.711 13.454 -0.210 617 2HD2 LEU 74 HD22 LEU 74 -7.570 12.196 -1.099 618 3HD2 LEU 74 HD23 LEU 74 -7.321 12.033 0.640 619 H ARG 75 HN ARG 75 -11.570 13.452 1.085 620 HA ARG 75 HA ARG 75 -12.780 15.176 -0.815 621 1HB ARG 75 HB2 ARG 75 -13.480 12.524 0.381 622 2HB ARG 75 HB1 ARG 75 -14.690 13.386 -0.553 623 1HG ARG 75 HG2 ARG 75 -13.110 13.478 -2.451 624 2HG ARG 75 HG1 ARG 75 -11.980 12.503 -1.510 625 1HD ARG 75 HD2 ARG 75 -12.990 10.802 -2.596 626 2HD ARG 75 HD1 ARG 75 -14.170 10.975 -1.296 627 HE ARG 75 HE ARG 75 -14.760 12.632 -3.556 628 1HH1 ARG 75 HH11 ARG 75 -15.060 9.406 -2.259 629 2HH1 ARG 75 HH12 ARG 75 -16.460 9.022 -3.209 630 1HH2 ARG 75 HH21 ARG 75 -16.590 12.127 -4.807 631 2HH2 ARG 75 HH22 ARG 75 -17.330 10.566 -4.656 632 H SER 76 HN SER 76 -13.750 14.143 2.443 633 HA SER 76 HA SER 76 -16.170 15.591 2.528 634 1HB SER 76 HB2 SER 76 -15.070 13.750 4.145 635 2HB SER 76 HB1 SER 76 -14.660 15.200 5.063 636 HG SER 76 HG SER 76 -16.750 15.586 5.412 637 H LYS 77 HN LYS 77 -12.940 16.386 3.813 638 HA LYS 77 HA LYS 77 -13.710 18.999 4.665 639 1HB LYS 77 HB2 LYS 77 -11.690 17.428 5.366 640 2HB LYS 77 HB1 LYS 77 -10.860 18.346 4.116 641 1HG LYS 77 HG2 LYS 77 -10.970 20.313 5.293 642 2HG LYS 77 HG1 LYS 77 -12.390 19.810 6.210 643 1HD LYS 77 HD2 LYS 77 -10.940 18.138 7.379 644 2HD LYS 77 HD1 LYS 77 -9.554 18.864 6.568 645 1HE LYS 77 HE2 LYS 77 -9.577 20.697 7.887 646 2HE LYS 77 HE1 LYS 77 -11.330 20.745 7.967 647 1HZ LYS 77 HZ1 LYS 77 -10.640 20.224 10.118 648 2HZ LYS 77 HZ2 LYS 77 -9.471 19.127 9.592 649 3HZ LYS 77 HZ3 LYS 77 -11.110 18.730 9.472 Start of MODEL 19 1 1H MET 1 HT1 MET 1 22.191 -3.292 -3.720 2 2H MET 1 HT2 MET 1 22.605 -4.039 -5.210 3 3H MET 1 HT3 MET 1 23.326 -4.577 -3.748 4 HA MET 1 HA MET 1 21.722 -6.133 -4.303 5 1HB MET 1 HB2 MET 1 21.338 -4.283 -2.052 6 2HB MET 1 HB1 MET 1 19.914 -5.240 -2.438 7 1HG MET 1 HG2 MET 1 21.340 -7.279 -2.305 8 2HG MET 1 HG1 MET 1 22.652 -6.255 -1.726 9 1HE MET 1 HE1 MET 1 23.079 -7.415 0.449 10 2HE MET 1 HE2 MET 1 22.247 -6.811 1.882 11 3HE MET 1 HE3 MET 1 23.007 -5.682 0.761 12 H THR 2 HN THR 2 20.196 -6.575 -5.744 13 HA THR 2 HA THR 2 18.694 -4.514 -7.021 14 HB THR 2 HB THR 2 18.285 -7.500 -7.225 15 HG1 THR 2 HG1 THR 2 20.098 -5.785 -8.555 16 1HG2 THR 2 HG21 THR 2 16.506 -6.496 -8.352 17 2HG2 THR 2 HG22 THR 2 17.692 -6.850 -9.608 18 3HG2 THR 2 HG23 THR 2 17.524 -5.206 -8.992 19 H THR 3 HN THR 3 16.774 -3.711 -6.488 20 HA THR 3 HA THR 3 15.406 -4.584 -4.150 21 HB THR 3 HB THR 3 13.665 -2.897 -4.922 22 HG1 THR 3 HG1 THR 3 13.808 -2.361 -6.931 23 1HG2 THR 3 HG21 THR 3 15.121 -0.921 -4.625 24 2HG2 THR 3 HG22 THR 3 16.521 -1.991 -4.677 25 3HG2 THR 3 HG23 THR 3 15.334 -2.153 -3.383 26 H SER 4 HN SER 4 13.697 -5.902 -3.911 27 HA SER 4 HA SER 4 12.760 -7.334 -6.273 28 1HB SER 4 HB2 SER 4 11.777 -8.918 -4.671 29 2HB SER 4 HB1 SER 4 13.485 -8.647 -4.321 30 HG SER 4 HG SER 4 11.312 -8.162 -2.776 31 H THR 5 HN THR 5 10.292 -8.110 -5.791 32 HA THR 5 HA THR 5 8.743 -5.745 -6.224 33 HB THR 5 HB THR 5 7.758 -8.573 -5.814 34 HG1 THR 5 HG1 THR 5 7.932 -8.762 -8.050 35 1HG2 THR 5 HG21 THR 5 6.072 -6.678 -5.817 36 2HG2 THR 5 HG22 THR 5 5.818 -7.983 -6.976 37 3HG2 THR 5 HG23 THR 5 6.503 -6.448 -7.512 38 H LEU 6 HN LEU 6 9.295 -7.911 -3.538 39 HA LEU 6 HA LEU 6 7.113 -6.968 -1.949 40 1HB LEU 6 HB2 LEU 6 9.435 -8.769 -1.567 41 2HB LEU 6 HB1 LEU 6 8.769 -8.036 -0.120 42 HG LEU 6 HG LEU 6 7.841 -10.270 -0.575 43 1HD1 LEU 6 HD11 LEU 6 5.724 -8.166 -0.907 44 2HD1 LEU 6 HD12 LEU 6 6.570 -8.459 0.612 45 3HD1 LEU 6 HD13 LEU 6 5.584 -9.732 -0.107 46 1HD2 LEU 6 HD21 LEU 6 6.706 -8.961 -3.040 47 2HD2 LEU 6 HD22 LEU 6 6.277 -10.560 -2.444 48 3HD2 LEU 6 HD23 LEU 6 7.918 -10.240 -3.002 49 H GLN 7 HN GLN 7 10.570 -6.242 -2.132 50 HA GLN 7 HA GLN 7 10.651 -4.498 0.089 51 1HB GLN 7 HB2 GLN 7 12.533 -5.609 -1.507 52 2HB GLN 7 HB1 GLN 7 12.514 -3.972 -2.146 53 1HG GLN 7 HG2 GLN 7 12.599 -4.148 0.779 54 2HG GLN 7 HG1 GLN 7 14.011 -4.802 -0.048 55 1HE2 GLN 7 HE21 GLN 7 12.669 -2.077 1.236 56 2HE2 GLN 7 HE22 GLN 7 13.619 -0.883 0.425 57 H LYS 8 HN LYS 8 9.780 -4.054 -3.263 58 HA LYS 8 HA LYS 8 9.894 -1.210 -3.262 59 1HB LYS 8 HB2 LYS 8 8.960 -3.327 -5.088 60 2HB LYS 8 HB1 LYS 8 8.110 -1.796 -5.236 61 1HG LYS 8 HG2 LYS 8 10.206 -0.641 -5.629 62 2HG LYS 8 HG1 LYS 8 11.096 -2.149 -5.412 63 1HD LYS 8 HD2 LYS 8 10.395 -3.011 -7.426 64 2HD LYS 8 HD1 LYS 8 8.923 -2.037 -7.450 65 1HE LYS 8 HE2 LYS 8 11.467 -0.547 -7.549 66 2HE LYS 8 HE1 LYS 8 11.086 -1.521 -8.969 67 1HZ LYS 8 HZ1 LYS 8 9.997 0.359 -9.535 68 2HZ LYS 8 HZ2 LYS 8 9.759 0.859 -7.937 69 3HZ LYS 8 HZ3 LYS 8 8.761 -0.329 -8.608 70 H ALA 9 HN ALA 9 7.382 -3.574 -2.570 71 HA ALA 9 HA ALA 9 5.225 -1.740 -2.444 72 1HB ALA 9 HB1 ALA 9 3.937 -3.513 -1.616 73 2HB ALA 9 HB2 ALA 9 5.340 -4.321 -0.917 74 3HB ALA 9 HB3 ALA 9 5.126 -4.282 -2.667 75 H ILE 10 HN ILE 10 7.583 -2.865 -0.103 76 HA ILE 10 HA ILE 10 6.279 -1.767 2.185 77 HB ILE 10 HB ILE 10 9.213 -2.412 1.888 78 1HG1 ILE 10 HG12 ILE 10 7.240 -4.296 3.114 79 2HG1 ILE 10 HG11 ILE 10 7.376 -4.238 1.361 80 1HG2 ILE 10 HG21 ILE 10 7.495 -2.411 4.361 81 2HG2 ILE 10 HG22 ILE 10 8.496 -1.048 3.858 82 3HG2 ILE 10 HG23 ILE 10 9.247 -2.591 4.266 83 1HD1 ILE 10 HD11 ILE 10 9.181 -5.508 1.422 84 2HD1 ILE 10 HD12 ILE 10 8.960 -5.675 3.163 85 3HD1 ILE 10 HD13 ILE 10 9.984 -4.389 2.523 86 H ASP 11 HN ASP 11 8.535 -0.551 -0.185 87 HA ASP 11 HA ASP 11 9.396 1.727 1.274 88 1HB ASP 11 HB2 ASP 11 10.131 0.531 -1.095 89 2HB ASP 11 HB1 ASP 11 9.366 2.019 -1.645 90 H LEU 12 HN LEU 12 6.643 1.052 -0.765 91 HA LEU 12 HA LEU 12 5.854 3.764 -1.149 92 1HB LEU 12 HB2 LEU 12 4.668 1.090 -1.645 93 2HB LEU 12 HB1 LEU 12 3.555 2.440 -1.525 94 HG LEU 12 HG LEU 12 4.186 1.950 -3.851 95 1HD1 LEU 12 HD11 LEU 12 5.459 4.570 -3.222 96 2HD1 LEU 12 HD12 LEU 12 3.756 4.321 -2.838 97 3HD1 LEU 12 HD13 LEU 12 4.320 4.148 -4.500 98 1HD2 LEU 12 HD21 LEU 12 6.368 1.102 -3.715 99 2HD2 LEU 12 HD22 LEU 12 6.946 2.496 -2.804 100 3HD2 LEU 12 HD23 LEU 12 6.542 2.665 -4.513 101 H VAL 13 HN VAL 13 5.069 1.270 1.210 102 HA VAL 13 HA VAL 13 2.962 2.688 2.479 103 HB VAL 13 HB VAL 13 4.725 0.567 3.710 104 1HG1 VAL 13 HG11 VAL 13 2.989 0.204 5.259 105 2HG1 VAL 13 HG12 VAL 13 1.847 1.177 4.332 106 3HG1 VAL 13 HG13 VAL 13 3.185 1.954 5.180 107 1HG2 VAL 13 HG21 VAL 13 3.656 -1.052 2.575 108 2HG2 VAL 13 HG22 VAL 13 3.296 0.233 1.421 109 3HG2 VAL 13 HG23 VAL 13 2.105 -0.214 2.641 110 H THR 14 HN THR 14 6.435 2.707 2.817 111 HA THR 14 HA THR 14 6.525 3.992 5.355 112 HB THR 14 HB THR 14 8.658 4.089 3.222 113 HG1 THR 14 HG1 THR 14 8.523 1.987 3.385 114 1HG2 THR 14 HG21 THR 14 8.798 4.154 6.224 115 2HG2 THR 14 HG22 THR 14 9.197 5.462 5.111 116 3HG2 THR 14 HG23 THR 14 10.189 4.004 5.152 117 H LYS 15 HN LYS 15 6.625 5.147 2.013 118 HA LYS 15 HA LYS 15 7.045 7.881 2.718 119 1HB LYS 15 HB2 LYS 15 6.633 6.330 0.261 120 2HB LYS 15 HB1 LYS 15 5.947 7.949 0.201 121 1HG LYS 15 HG2 LYS 15 8.004 8.503 -0.501 122 2HG LYS 15 HG1 LYS 15 8.374 8.504 1.224 123 1HD LYS 15 HD2 LYS 15 9.103 6.153 1.036 124 2HD LYS 15 HD1 LYS 15 8.802 6.221 -0.701 125 1HE LYS 15 HE2 LYS 15 11.091 6.614 -0.524 126 2HE LYS 15 HE1 LYS 15 10.402 8.229 -0.695 127 1HZ LYS 15 HZ1 LYS 15 12.079 8.128 1.054 128 2HZ LYS 15 HZ2 LYS 15 11.173 6.961 1.878 129 3HZ LYS 15 HZ3 LYS 15 10.560 8.525 1.686 130 H ALA 16 HN ALA 16 4.248 5.847 2.274 131 HA ALA 16 HA ALA 16 2.340 7.951 2.036 132 1HB ALA 16 HB1 ALA 16 2.221 5.336 1.518 133 2HB ALA 16 HB2 ALA 16 0.787 6.314 1.831 134 3HB ALA 16 HB3 ALA 16 1.484 5.334 3.120 135 H THR 17 HN THR 17 3.334 5.855 4.735 136 HA THR 17 HA THR 17 1.609 6.908 6.665 137 HB THR 17 HB THR 17 2.804 4.833 7.039 138 HG1 THR 17 HG1 THR 17 2.306 5.752 8.948 139 1HG2 THR 17 HG21 THR 17 5.323 6.465 7.241 140 2HG2 THR 17 HG22 THR 17 4.912 5.381 5.911 141 3HG2 THR 17 HG23 THR 17 5.160 4.733 7.532 142 H GLU 18 HN GLU 18 4.937 7.828 5.832 143 HA GLU 18 HA GLU 18 5.179 9.849 7.792 144 1HB GLU 18 HB2 GLU 18 7.130 10.587 6.530 145 2HB GLU 18 HB1 GLU 18 7.116 8.836 6.669 146 1HG GLU 18 HG2 GLU 18 6.232 8.668 4.393 147 2HG GLU 18 HG1 GLU 18 6.277 10.425 4.255 148 H GLU 19 HN GLU 19 3.923 9.830 4.518 149 HA GLU 19 HA GLU 19 3.807 12.635 4.163 150 1HB GLU 19 HB2 GLU 19 2.899 10.257 2.750 151 2HB GLU 19 HB1 GLU 19 1.746 11.579 2.627 152 1HG GLU 19 HG2 GLU 19 3.033 12.707 1.213 153 2HG GLU 19 HG1 GLU 19 4.476 12.454 2.193 154 H ASP 20 HN ASP 20 1.418 10.262 5.283 155 HA ASP 20 HA ASP 20 -0.782 11.929 5.542 156 1HB ASP 20 HB2 ASP 20 -0.339 9.315 6.042 157 2HB ASP 20 HB1 ASP 20 -0.394 9.926 7.692 158 H LYS 21 HN LYS 21 2.042 11.634 7.568 159 HA LYS 21 HA LYS 21 0.946 13.050 9.801 160 1HB LYS 21 HB2 LYS 21 3.559 11.904 9.047 161 2HB LYS 21 HB1 LYS 21 3.637 13.302 10.111 162 1HG LYS 21 HG2 LYS 21 3.066 12.076 11.863 163 2HG LYS 21 HG1 LYS 21 1.628 11.474 11.036 164 1HD LYS 21 HD2 LYS 21 3.273 9.907 9.806 165 2HD LYS 21 HD1 LYS 21 4.390 10.312 11.112 166 1HE LYS 21 HE2 LYS 21 1.620 9.435 11.786 167 2HE LYS 21 HE1 LYS 21 2.804 8.226 11.290 168 1HZ LYS 21 HZ1 LYS 21 3.036 10.105 13.576 169 2HZ LYS 21 HZ2 LYS 21 4.277 9.078 13.060 170 3HZ LYS 21 HZ3 LYS 21 2.835 8.427 13.658 171 H ALA 22 HN ALA 22 2.537 13.935 6.841 172 HA ALA 22 HA ALA 22 2.912 16.689 7.759 173 1HB ALA 22 HB1 ALA 22 3.746 15.386 5.170 174 2HB ALA 22 HB2 ALA 22 4.775 15.628 6.581 175 3HB ALA 22 HB3 ALA 22 4.159 17.019 5.690 176 H LYS 23 HN LYS 23 0.248 15.491 7.238 177 HA LYS 23 HA LYS 23 -1.737 16.050 6.279 178 1HB LYS 23 HB2 LYS 23 -0.622 18.361 7.053 179 2HB LYS 23 HB1 LYS 23 -0.705 18.667 5.323 180 1HG LYS 23 HG2 LYS 23 -2.930 18.917 5.344 181 2HG LYS 23 HG1 LYS 23 -3.170 17.594 6.487 182 1HD LYS 23 HD2 LYS 23 -2.630 19.002 8.340 183 2HD LYS 23 HD1 LYS 23 -2.101 20.301 7.269 184 1HE LYS 23 HE2 LYS 23 -4.190 21.048 6.966 185 2HE LYS 23 HE1 LYS 23 -4.836 19.421 6.761 186 1HZ LYS 23 HZ1 LYS 23 -4.223 20.727 9.357 187 2HZ LYS 23 HZ2 LYS 23 -4.834 19.161 9.167 188 3HZ LYS 23 HZ3 LYS 23 -5.768 20.493 8.707 189 H ASN 24 HN ASN 24 -0.525 14.406 4.668 190 HA ASN 24 HA ASN 24 -0.802 15.595 1.986 191 1HB ASN 24 HB2 ASN 24 1.201 13.579 2.988 192 2HB ASN 24 HB1 ASN 24 0.828 13.739 1.275 193 1HD2 ASN 24 HD21 ASN 24 1.533 15.515 0.156 194 2HD2 ASN 24 HD22 ASN 24 2.651 16.659 0.808 195 H TYR 25 HN TYR 25 -3.004 14.602 3.245 196 HA TYR 25 HA TYR 25 -3.585 11.905 2.985 197 1HB TYR 25 HB2 TYR 25 -5.424 14.278 2.627 198 2HB TYR 25 HB1 TYR 25 -5.966 12.615 2.831 199 HD1 TYR 25 HD1 TYR 25 -5.892 11.540 4.988 200 HD2 TYR 25 HD2 TYR 25 -4.418 15.500 4.495 201 HE1 TYR 25 HE1 TYR 25 -5.850 11.822 7.431 202 HE2 TYR 25 HE2 TYR 25 -4.371 15.793 6.936 203 HH TYR 25 HH TYR 25 -4.790 13.172 9.111 204 H GLU 26 HN GLU 26 -3.421 14.390 0.543 205 HA GLU 26 HA GLU 26 -4.816 12.983 -1.493 206 1HB GLU 26 HB2 GLU 26 -3.069 15.385 -1.359 207 2HB GLU 26 HB1 GLU 26 -3.261 14.620 -2.930 208 1HG GLU 26 HG2 GLU 26 -5.683 15.232 -1.312 209 2HG GLU 26 HG1 GLU 26 -4.860 16.537 -2.165 210 H GLU 27 HN GLU 27 -1.339 13.477 -0.889 211 HA GLU 27 HA GLU 27 -0.482 11.772 -2.982 212 1HB GLU 27 HB2 GLU 27 0.789 13.604 -1.555 213 2HB GLU 27 HB1 GLU 27 1.216 12.214 -0.566 214 1HG GLU 27 HG2 GLU 27 2.912 11.889 -1.951 215 2HG GLU 27 HG1 GLU 27 1.726 11.370 -3.148 216 H ALA 28 HN ALA 28 -1.211 11.255 0.414 217 HA ALA 28 HA ALA 28 -0.082 8.716 0.736 218 1HB ALA 28 HB1 ALA 28 -0.945 10.155 2.568 219 2HB ALA 28 HB2 ALA 28 -1.494 8.482 2.661 220 3HB ALA 28 HB3 ALA 28 -2.585 9.736 2.070 221 H LEU 29 HN LEU 29 -3.208 9.713 -0.555 222 HA LEU 29 HA LEU 29 -4.408 7.177 -0.681 223 1HB LEU 29 HB2 LEU 29 -5.592 9.342 -0.963 224 2HB LEU 29 HB1 LEU 29 -4.839 9.517 -2.537 225 HG LEU 29 HG LEU 29 -5.970 7.321 -3.165 226 1HD1 LEU 29 HD11 LEU 29 -7.429 7.939 -0.605 227 2HD1 LEU 29 HD12 LEU 29 -6.536 6.473 -1.009 228 3HD1 LEU 29 HD13 LEU 29 -8.039 6.849 -1.849 229 1HD2 LEU 29 HD21 LEU 29 -6.758 9.386 -4.071 230 2HD2 LEU 29 HD22 LEU 29 -7.577 9.797 -2.565 231 3HD2 LEU 29 HD23 LEU 29 -8.160 8.454 -3.548 232 H ARG 30 HN ARG 30 -2.377 8.922 -2.991 233 HA ARG 30 HA ARG 30 -2.562 6.864 -4.988 234 1HB ARG 30 HB2 ARG 30 -1.058 9.429 -4.696 235 2HB ARG 30 HB1 ARG 30 -0.504 8.259 -5.886 236 1HG ARG 30 HG2 ARG 30 -1.908 9.464 -7.193 237 2HG ARG 30 HG1 ARG 30 -3.065 8.290 -6.562 238 1HD ARG 30 HD2 ARG 30 -3.951 9.820 -5.028 239 2HD ARG 30 HD1 ARG 30 -2.567 10.901 -5.171 240 HE ARG 30 HE ARG 30 -3.613 10.917 -7.662 241 1HH1 ARG 30 HH11 ARG 30 -4.992 11.444 -4.499 242 2HH1 ARG 30 HH12 ARG 30 -6.206 12.537 -5.073 243 1HH2 ARG 30 HH21 ARG 30 -5.209 12.356 -8.418 244 2HH2 ARG 30 HH22 ARG 30 -6.329 13.055 -7.298 245 H LEU 31 HN LEU 31 -0.347 7.718 -2.413 246 HA LEU 31 HA LEU 31 1.771 6.002 -3.230 247 1HB LEU 31 HB2 LEU 31 1.128 7.674 -0.900 248 2HB LEU 31 HB1 LEU 31 2.109 6.269 -0.532 249 HG LEU 31 HG LEU 31 3.476 8.262 -0.949 250 1HD1 LEU 31 HD11 LEU 31 3.911 6.408 -3.259 251 2HD1 LEU 31 HD12 LEU 31 4.142 5.861 -1.598 252 3HD1 LEU 31 HD13 LEU 31 5.100 7.202 -2.226 253 1HD2 LEU 31 HD21 LEU 31 3.619 9.174 -3.232 254 2HD2 LEU 31 HD22 LEU 31 2.031 9.426 -2.507 255 3HD2 LEU 31 HD23 LEU 31 2.261 8.155 -3.708 256 H TYR 32 HN TYR 32 -1.015 5.628 -1.105 257 HA TYR 32 HA TYR 32 -0.246 3.062 -0.118 258 1HB TYR 32 HB2 TYR 32 -2.498 4.897 0.200 259 2HB TYR 32 HB1 TYR 32 -2.991 3.207 0.193 260 HD1 TYR 32 HD1 TYR 32 -1.139 5.795 1.989 261 HD2 TYR 32 HD2 TYR 32 -2.245 1.686 1.949 262 HE1 TYR 32 HE1 TYR 32 -0.448 5.592 4.340 263 HE2 TYR 32 HE2 TYR 32 -1.557 1.472 4.300 264 HH TYR 32 HH TYR 32 -0.139 2.557 5.911 265 H GLN 33 HN GLN 33 -2.373 4.194 -2.704 266 HA GLN 33 HA GLN 33 -3.424 1.673 -3.409 267 1HB GLN 33 HB2 GLN 33 -3.159 4.294 -4.854 268 2HB GLN 33 HB1 GLN 33 -3.783 2.872 -5.681 269 1HG GLN 33 HG2 GLN 33 -5.076 3.283 -3.125 270 2HG GLN 33 HG1 GLN 33 -5.228 4.689 -4.178 271 1HE2 GLN 33 HE21 GLN 33 -6.606 4.621 -5.853 272 2HE2 GLN 33 HE22 GLN 33 -7.558 3.247 -6.286 273 H HIS 34 HN HIS 34 -0.450 3.307 -4.219 274 HA HIS 34 HA HIS 34 0.242 1.681 -6.447 275 1HB HIS 34 HB2 HIS 34 1.510 3.784 -4.844 276 2HB HIS 34 HB1 HIS 34 2.643 2.582 -5.450 277 HD1 HIS 34 HD1 HIS 34 2.691 2.278 -8.103 278 HD2 HIS 34 HD2 HIS 34 0.654 5.615 -6.694 279 HE1 HIS 34 HE1 HIS 34 2.437 3.800 -10.080 280 HE2 HIS 34 HE2 HIS 34 1.274 5.848 -9.194 281 H ALA 35 HN ALA 35 0.921 1.511 -2.988 282 HA ALA 35 HA ALA 35 2.734 -0.673 -3.163 283 1HB ALA 35 HB1 ALA 35 2.978 -0.421 -0.940 284 2HB ALA 35 HB2 ALA 35 1.241 -0.349 -0.651 285 3HB ALA 35 HB3 ALA 35 2.101 1.085 -1.211 286 H VAL 36 HN VAL 36 -0.738 -0.401 -2.913 287 HA VAL 36 HA VAL 36 -1.255 -3.074 -2.112 288 HB VAL 36 HB VAL 36 -3.101 -1.259 -3.666 289 1HG1 VAL 36 HG11 VAL 36 -3.394 -3.853 -2.297 290 2HG1 VAL 36 HG12 VAL 36 -4.289 -3.177 -3.658 291 3HG1 VAL 36 HG13 VAL 36 -4.678 -2.679 -2.010 292 1HG2 VAL 36 HG21 VAL 36 -3.514 -1.410 -0.787 293 2HG2 VAL 36 HG22 VAL 36 -3.465 -0.005 -1.852 294 3HG2 VAL 36 HG23 VAL 36 -1.966 -0.685 -1.221 295 H GLU 37 HN GLU 37 -0.935 -1.491 -5.244 296 HA GLU 37 HA GLU 37 -1.826 -3.693 -6.799 297 1HB GLU 37 HB2 GLU 37 -0.349 -1.156 -7.356 298 2HB GLU 37 HB1 GLU 37 -0.370 -2.409 -8.589 299 1HG GLU 37 HG2 GLU 37 -2.949 -1.597 -7.361 300 2HG GLU 37 HG1 GLU 37 -2.184 -0.508 -8.517 301 H TYR 38 HN TYR 38 1.326 -2.669 -5.609 302 HA TYR 38 HA TYR 38 2.864 -4.509 -7.111 303 1HB TYR 38 HB2 TYR 38 3.333 -2.787 -4.724 304 2HB TYR 38 HB1 TYR 38 4.472 -4.093 -5.029 305 HD1 TYR 38 HD1 TYR 38 5.334 -4.213 -7.540 306 HD2 TYR 38 HD2 TYR 38 3.756 -0.729 -5.677 307 HE1 TYR 38 HE1 TYR 38 6.505 -2.810 -9.186 308 HE2 TYR 38 HE2 TYR 38 4.922 0.683 -7.318 309 HH TYR 38 HH TYR 38 6.813 0.575 -8.828 310 H PHE 39 HN PHE 39 1.199 -4.713 -4.032 311 HA PHE 39 HA PHE 39 2.392 -7.167 -3.209 312 1HB PHE 39 HB2 PHE 39 0.086 -5.504 -2.302 313 2HB PHE 39 HB1 PHE 39 0.175 -7.175 -1.754 314 HD1 PHE 39 HD1 PHE 39 0.930 -3.952 -0.856 315 HD2 PHE 39 HD2 PHE 39 2.708 -7.816 -0.987 316 HE1 PHE 39 HE1 PHE 39 2.507 -3.281 0.909 317 HE2 PHE 39 HE2 PHE 39 4.289 -7.153 0.778 318 HZ PHE 39 HZ PHE 39 4.189 -4.883 1.729 319 H LEU 40 HN LEU 40 -0.546 -6.311 -4.959 320 HA LEU 40 HA LEU 40 -1.663 -8.916 -4.992 321 1HB LEU 40 HB2 LEU 40 -2.107 -6.432 -6.615 322 2HB LEU 40 HB1 LEU 40 -2.908 -7.932 -7.041 323 HG LEU 40 HG LEU 40 -3.149 -6.629 -4.331 324 1HD1 LEU 40 HD11 LEU 40 -5.538 -6.198 -5.322 325 2HD1 LEU 40 HD12 LEU 40 -4.673 -6.230 -6.859 326 3HD1 LEU 40 HD13 LEU 40 -4.221 -5.064 -5.615 327 1HD2 LEU 40 HD21 LEU 40 -4.559 -8.297 -3.761 328 2HD2 LEU 40 HD22 LEU 40 -3.644 -9.192 -4.975 329 3HD2 LEU 40 HD23 LEU 40 -5.195 -8.466 -5.399 330 H HIS 41 HN HIS 41 0.473 -7.165 -7.190 331 HA HIS 41 HA HIS 41 0.446 -9.155 -9.230 332 1HB HIS 41 HB2 HIS 41 1.064 -6.729 -9.547 333 2HB HIS 41 HB1 HIS 41 2.587 -7.082 -8.739 334 HD1 HIS 41 HD1 HIS 41 1.318 -6.707 -11.990 335 HD2 HIS 41 HD2 HIS 41 3.872 -9.460 -10.210 336 HE1 HIS 41 HE1 HIS 41 2.600 -7.757 -13.880 337 HE2 HIS 41 HE2 HIS 41 4.075 -9.483 -12.790 338 H ALA 42 HN ALA 42 2.341 -8.618 -6.348 339 HA ALA 42 HA ALA 42 4.494 -10.340 -6.974 340 1HB ALA 42 HB1 ALA 42 5.089 -10.190 -4.658 341 2HB ALA 42 HB2 ALA 42 3.468 -9.644 -4.229 342 3HB ALA 42 HB3 ALA 42 4.523 -8.608 -5.189 343 H ILE 43 HN ILE 43 1.448 -10.840 -5.229 344 HA ILE 43 HA ILE 43 1.955 -13.530 -4.504 345 HB ILE 43 HB ILE 43 -0.750 -12.250 -4.912 346 1HG1 ILE 43 HG12 ILE 43 0.422 -12.420 -2.200 347 2HG1 ILE 43 HG11 ILE 43 1.157 -11.240 -3.274 348 1HG2 ILE 43 HG21 ILE 43 -1.537 -13.890 -3.325 349 2HG2 ILE 43 HG22 ILE 43 0.099 -14.520 -3.110 350 3HG2 ILE 43 HG23 ILE 43 -0.721 -14.710 -4.660 351 1HD1 ILE 43 HD11 ILE 43 -1.454 -10.700 -3.663 352 2HD1 ILE 43 HD12 ILE 43 -0.442 -9.906 -2.459 353 3HD1 ILE 43 HD13 ILE 43 -1.477 -11.250 -1.988 354 H LYS 44 HN LYS 44 0.155 -12.080 -7.206 355 HA LYS 44 HA LYS 44 -0.748 -14.460 -8.366 356 1HB LYS 44 HB2 LYS 44 -1.171 -11.870 -8.900 357 2HB LYS 44 HB1 LYS 44 0.005 -12.220 -10.160 358 1HG LYS 44 HG2 LYS 44 -2.253 -14.110 -9.858 359 2HG LYS 44 HG1 LYS 44 -2.607 -12.510 -10.520 360 1HD LYS 44 HD2 LYS 44 -0.347 -13.230 -11.890 361 2HD LYS 44 HD1 LYS 44 -1.187 -14.780 -11.710 362 1HE LYS 44 HE2 LYS 44 -3.147 -13.910 -12.760 363 2HE LYS 44 HE1 LYS 44 -2.507 -12.270 -12.740 364 1HZ LYS 44 HZ1 LYS 44 -1.923 -12.770 -14.830 365 2HZ LYS 44 HZ2 LYS 44 -1.954 -14.440 -14.580 366 3HZ LYS 44 HZ3 LYS 44 -0.603 -13.540 -14.110 367 H TYR 45 HN TYR 45 2.131 -12.520 -9.180 368 HA TYR 45 HA TYR 45 3.123 -14.490 -11.010 369 1HB TYR 45 HB2 TYR 45 4.138 -11.900 -9.903 370 2HB TYR 45 HB1 TYR 45 5.271 -12.990 -10.690 371 HD1 TYR 45 HD1 TYR 45 5.737 -12.340 -12.850 372 HD2 TYR 45 HD2 TYR 45 1.771 -11.860 -11.390 373 HE1 TYR 45 HE1 TYR 45 5.043 -11.470 -15.040 374 HE2 TYR 45 HE2 TYR 45 1.065 -10.980 -13.580 375 HH TYR 45 HH TYR 45 2.002 -9.965 -15.540 376 H GLU 46 HN GLU 46 4.528 -13.230 -7.980 377 HA GLU 46 HA GLU 46 6.007 -15.730 -7.678 378 1HB GLU 46 HB2 GLU 46 6.258 -12.980 -6.563 379 2HB GLU 46 HB1 GLU 46 6.885 -14.320 -5.608 380 1HG GLU 46 HG2 GLU 46 7.656 -14.210 -8.463 381 2HG GLU 46 HG1 GLU 46 8.356 -13.010 -7.383 382 H ALA 47 HN ALA 47 4.539 -17.220 -6.940 383 HA ALA 47 HA ALA 47 2.906 -16.570 -4.612 384 1HB ALA 47 HB1 ALA 47 2.973 -19.070 -6.286 385 2HB ALA 47 HB2 ALA 47 1.847 -17.730 -6.485 386 3HB ALA 47 HB3 ALA 47 1.808 -18.700 -5.013 387 H HIS 48 HN HIS 48 2.942 -17.810 -2.693 388 HA HIS 48 HA HIS 48 5.278 -19.530 -2.300 389 1HB HIS 48 HB2 HIS 48 4.941 -16.900 -1.200 390 2HB HIS 48 HB1 HIS 48 4.962 -18.080 0.101 391 HD1 HIS 48 HD1 HIS 48 7.059 -17.180 -2.946 392 HD2 HIS 48 HD2 HIS 48 7.462 -18.780 0.871 393 HE1 HIS 48 HE1 HIS 48 9.532 -17.490 -2.602 394 HE2 HIS 48 HE2 HIS 48 9.745 -18.530 -0.318 395 H SER 49 HN SER 49 4.991 -20.040 0.388 396 HA SER 49 HA SER 49 2.931 -21.950 0.419 397 1HB SER 49 HB2 SER 49 5.156 -21.560 1.909 398 2HB SER 49 HB1 SER 49 3.926 -20.990 3.037 399 HG SER 49 HG SER 49 4.535 -23.520 2.295 400 H ASP 50 HN ASP 50 1.240 -22.050 2.184 401 HA ASP 50 HA ASP 50 -0.641 -20.030 1.831 402 1HB ASP 50 HB2 ASP 50 -0.356 -22.340 3.678 403 2HB ASP 50 HB1 ASP 50 -1.541 -21.110 4.107 404 H LYS 51 HN LYS 51 1.748 -20.500 4.379 405 HA LYS 51 HA LYS 51 0.846 -18.540 6.164 406 1HB LYS 51 HB2 LYS 51 2.761 -20.350 6.328 407 2HB LYS 51 HB1 LYS 51 3.774 -19.010 5.816 408 1HG LYS 51 HG2 LYS 51 2.186 -17.980 7.860 409 2HG LYS 51 HG1 LYS 51 2.653 -19.590 8.406 410 1HD LYS 51 HD2 LYS 51 4.951 -18.400 7.264 411 2HD LYS 51 HD1 LYS 51 4.213 -17.190 8.318 412 1HE LYS 51 HE2 LYS 51 4.515 -19.980 9.311 413 2HE LYS 51 HE1 LYS 51 5.935 -18.940 9.257 414 1HZ LYS 51 HZ1 LYS 51 4.622 -17.300 10.556 415 2HZ LYS 51 HZ2 LYS 51 4.951 -18.730 11.392 416 3HZ LYS 51 HZ3 LYS 51 3.412 -18.460 10.742 417 H ALA 52 HN ALA 52 3.243 -18.310 3.545 418 HA ALA 52 HA ALA 52 3.672 -15.510 3.922 419 1HB ALA 52 HB1 ALA 52 5.045 -17.490 2.651 420 2HB ALA 52 HB2 ALA 52 5.362 -15.760 2.473 421 3HB ALA 52 HB3 ALA 52 4.354 -16.600 1.293 422 H LYS 53 HN LYS 53 1.606 -17.460 1.855 423 HA LYS 53 HA LYS 53 0.798 -15.330 0.143 424 1HB LYS 53 HB2 LYS 53 0.549 -18.030 0.037 425 2HB LYS 53 HB1 LYS 53 -1.073 -17.580 0.552 426 1HG LYS 53 HG2 LYS 53 -1.187 -16.020 -1.384 427 2HG LYS 53 HG1 LYS 53 0.362 -16.670 -1.928 428 1HD LYS 53 HD2 LYS 53 -0.844 -18.180 -3.054 429 2HD LYS 53 HD1 LYS 53 -1.120 -18.940 -1.486 430 1HE LYS 53 HE2 LYS 53 -3.274 -18.300 -1.418 431 2HE LYS 53 HE1 LYS 53 -2.924 -16.710 -2.091 432 1HZ LYS 53 HZ1 LYS 53 -2.878 -17.630 -4.281 433 2HZ LYS 53 HZ2 LYS 53 -4.318 -18.120 -3.539 434 3HZ LYS 53 HZ3 LYS 53 -3.035 -19.210 -3.689 435 H GLU 54 HN GLU 54 -0.740 -16.910 2.938 436 HA GLU 54 HA GLU 54 -3.057 -15.310 2.960 437 1HB GLU 54 HB2 GLU 54 -2.441 -17.520 4.253 438 2HB GLU 54 HB1 GLU 54 -1.906 -16.400 5.499 439 1HG GLU 54 HG2 GLU 54 -4.371 -15.410 4.874 440 2HG GLU 54 HG1 GLU 54 -4.603 -17.150 4.674 441 H SER 55 HN SER 55 0.111 -14.890 4.432 442 HA SER 55 HA SER 55 -0.492 -12.750 6.136 443 1HB SER 55 HB2 SER 55 1.972 -13.850 4.901 444 2HB SER 55 HB1 SER 55 2.064 -12.200 5.506 445 HG SER 55 HG SER 55 1.294 -13.010 7.524 446 H ILE 56 HN ILE 56 0.530 -12.780 2.743 447 HA ILE 56 HA ILE 56 0.633 -9.952 2.484 448 HB ILE 56 HB ILE 56 0.271 -11.970 0.270 449 1HG1 ILE 56 HG12 ILE 56 2.937 -10.850 1.020 450 2HG1 ILE 56 HG11 ILE 56 2.284 -12.170 1.984 451 1HG2 ILE 56 HG21 ILE 56 -0.092 -9.494 -0.174 452 2HG2 ILE 56 HG22 ILE 56 1.079 -10.320 -1.198 453 3HG2 ILE 56 HG23 ILE 56 1.636 -9.301 0.124 454 1HD1 ILE 56 HD11 ILE 56 2.722 -12.230 -0.992 455 2HD1 ILE 56 HD12 ILE 56 2.124 -13.560 0.003 456 3HD1 ILE 56 HD13 ILE 56 3.770 -12.960 0.222 457 H ARG 57 HN ARG 57 -1.821 -12.390 1.763 458 HA ARG 57 HA ARG 57 -3.656 -10.740 0.443 459 1HB ARG 57 HB2 ARG 57 -3.591 -13.350 0.907 460 2HB ARG 57 HB1 ARG 57 -4.659 -12.910 2.229 461 1HG ARG 57 HG2 ARG 57 -6.255 -13.220 0.682 462 2HG ARG 57 HG1 ARG 57 -5.835 -11.570 0.215 463 1HD ARG 57 HD2 ARG 57 -4.315 -12.430 -1.485 464 2HD ARG 57 HD1 ARG 57 -4.678 -14.080 -0.996 465 HE ARG 57 HE ARG 57 -6.631 -13.970 -2.185 466 1HH1 ARG 57 HH11 ARG 57 -5.374 -10.740 -1.771 467 2HH1 ARG 57 HH12 ARG 57 -6.526 -10.020 -2.845 468 1HH2 ARG 57 HH21 ARG 57 -8.146 -13.020 -3.598 469 2HH2 ARG 57 HH22 ARG 57 -8.100 -11.320 -3.882 470 H ALA 58 HN ALA 58 -3.412 -11.580 3.891 471 HA ALA 58 HA ALA 58 -5.631 -10.080 4.744 472 1HB ALA 58 HB1 ALA 58 -4.244 -11.870 5.991 473 2HB ALA 58 HB2 ALA 58 -4.960 -10.550 6.909 474 3HB ALA 58 HB3 ALA 58 -3.246 -10.510 6.497 475 H LYS 59 HN LYS 59 -2.330 -9.187 4.055 476 HA LYS 59 HA LYS 59 -2.356 -6.684 5.402 477 1HB LYS 59 HB2 LYS 59 -0.608 -7.946 3.322 478 2HB LYS 59 HB1 LYS 59 -0.424 -6.238 3.694 479 1HG LYS 59 HG2 LYS 59 -0.485 -8.055 6.011 480 2HG LYS 59 HG1 LYS 59 0.917 -8.194 4.948 481 1HD LYS 59 HD2 LYS 59 1.309 -5.779 5.172 482 2HD LYS 59 HD1 LYS 59 -0.076 -5.663 6.259 483 1HE LYS 59 HE2 LYS 59 1.983 -7.666 6.954 484 2HE LYS 59 HE1 LYS 59 2.452 -5.972 7.110 485 1HZ LYS 59 HZ1 LYS 59 1.517 -6.860 9.165 486 2HZ LYS 59 HZ2 LYS 59 0.064 -7.208 8.371 487 3HZ LYS 59 HZ3 LYS 59 0.565 -5.603 8.551 488 H CYS 60 HN CYS 60 -3.208 -7.728 2.156 489 HA CYS 60 HA CYS 60 -3.418 -5.178 0.978 490 1HB CYS 60 HB2 CYS 60 -4.396 -7.912 0.326 491 2HB CYS 60 HB1 CYS 60 -5.166 -6.559 -0.495 492 HG CYS 60 HG CYS 60 -2.929 -5.983 -1.613 493 H VAL 61 HN VAL 61 -5.687 -7.138 2.817 494 HA VAL 61 HA VAL 61 -8.003 -5.614 2.298 495 HB VAL 61 HB VAL 61 -7.423 -7.207 4.798 496 1HG1 VAL 61 HG11 VAL 61 -9.936 -6.182 3.514 497 2HG1 VAL 61 HG12 VAL 61 -9.368 -5.957 5.168 498 3HG1 VAL 61 HG13 VAL 61 -9.953 -7.536 4.645 499 1HG2 VAL 61 HG21 VAL 61 -7.304 -8.215 2.277 500 2HG2 VAL 61 HG22 VAL 61 -9.009 -8.449 2.663 501 3HG2 VAL 61 HG23 VAL 61 -7.766 -9.140 3.705 502 H GLN 62 HN GLN 62 -5.587 -5.449 4.889 503 HA GLN 62 HA GLN 62 -6.899 -3.313 6.265 504 1HB GLN 62 HB2 GLN 62 -5.195 -5.063 7.166 505 2HB GLN 62 HB1 GLN 62 -3.981 -3.940 6.566 506 1HG GLN 62 HG2 GLN 62 -4.806 -2.200 8.002 507 2HG GLN 62 HG1 GLN 62 -6.154 -3.214 8.516 508 1HE2 GLN 62 HE21 GLN 62 -5.683 -5.094 9.778 509 2HE2 GLN 62 HE22 GLN 62 -4.266 -5.146 10.764 510 H TYR 63 HN TYR 63 -4.468 -3.544 3.768 511 HA TYR 63 HA TYR 63 -3.546 -0.858 3.953 512 1HB TYR 63 HB2 TYR 63 -3.313 -3.030 1.897 513 2HB TYR 63 HB1 TYR 63 -2.789 -1.393 1.514 514 HD1 TYR 63 HD1 TYR 63 -1.581 -0.510 4.031 515 HD2 TYR 63 HD2 TYR 63 -1.370 -4.291 2.090 516 HE1 TYR 63 HE1 TYR 63 0.579 -0.944 5.122 517 HE2 TYR 63 HE2 TYR 63 0.790 -4.735 3.177 518 HH TYR 63 HH TYR 63 2.630 -3.501 4.191 519 H LEU 64 HN LEU 64 -6.095 -2.463 2.142 520 HA LEU 64 HA LEU 64 -6.695 -0.218 0.480 521 1HB LEU 64 HB2 LEU 64 -8.000 -2.839 1.072 522 2HB LEU 64 HB1 LEU 64 -8.929 -1.593 0.259 523 HG LEU 64 HG LEU 64 -6.256 -2.243 -0.865 524 1HD1 LEU 64 HD11 LEU 64 -7.368 -4.432 -0.284 525 2HD1 LEU 64 HD12 LEU 64 -6.975 -4.193 -1.987 526 3HD1 LEU 64 HD13 LEU 64 -8.636 -3.991 -1.427 527 1HD2 LEU 64 HD21 LEU 64 -8.938 -1.365 -1.871 528 2HD2 LEU 64 HD22 LEU 64 -7.726 -2.025 -2.970 529 3HD2 LEU 64 HD23 LEU 64 -7.371 -0.573 -2.035 530 H ASP 65 HN ASP 65 -7.737 -1.322 3.623 531 HA ASP 65 HA ASP 65 -10.060 0.306 3.809 532 1HB ASP 65 HB2 ASP 65 -8.465 -1.382 5.642 533 2HB ASP 65 HB1 ASP 65 -9.386 -0.087 6.400 534 H ARG 66 HN ARG 66 -6.668 0.834 4.425 535 HA ARG 66 HA ARG 66 -7.052 3.263 5.910 536 1HB ARG 66 HB2 ARG 66 -4.989 1.538 5.725 537 2HB ARG 66 HB1 ARG 66 -4.455 2.756 4.574 538 1HG ARG 66 HG2 ARG 66 -3.499 3.460 6.554 539 2HG ARG 66 HG1 ARG 66 -4.966 4.438 6.463 540 1HD ARG 66 HD2 ARG 66 -5.150 1.820 7.843 541 2HD ARG 66 HD1 ARG 66 -4.262 3.105 8.660 542 HE ARG 66 HE ARG 66 -6.673 4.188 7.811 543 1HH1 ARG 66 HH11 ARG 66 -5.578 1.707 10.009 544 2HH1 ARG 66 HH12 ARG 66 -6.930 1.882 11.078 545 1HH2 ARG 66 HH21 ARG 66 -8.450 4.421 9.217 546 2HH2 ARG 66 HH22 ARG 66 -8.560 3.423 10.629 547 H ALA 67 HN ALA 67 -6.540 2.392 2.562 548 HA ALA 67 HA ALA 67 -5.892 5.005 1.638 549 1HB ALA 67 HB1 ALA 67 -7.092 2.794 -0.013 550 2HB ALA 67 HB2 ALA 67 -5.392 2.830 0.458 551 3HB ALA 67 HB3 ALA 67 -6.055 4.115 -0.550 552 H GLU 68 HN GLU 68 -8.876 3.303 2.232 553 HA GLU 68 HA GLU 68 -10.530 5.077 0.724 554 1HB GLU 68 HB2 GLU 68 -10.950 2.812 2.597 555 2HB GLU 68 HB1 GLU 68 -12.280 3.949 2.417 556 1HG GLU 68 HG2 GLU 68 -11.670 3.521 -0.169 557 2HG GLU 68 HG1 GLU 68 -11.210 1.966 0.528 558 H LYS 69 HN LYS 69 -9.589 4.814 4.116 559 HA LYS 69 HA LYS 69 -11.320 6.822 5.093 560 1HB LYS 69 HB2 LYS 69 -9.642 5.000 6.238 561 2HB LYS 69 HB1 LYS 69 -8.755 6.495 6.499 562 1HG LYS 69 HG2 LYS 69 -10.050 6.249 8.415 563 2HG LYS 69 HG1 LYS 69 -10.940 7.422 7.437 564 1HD LYS 69 HD2 LYS 69 -12.020 5.103 6.552 565 2HD LYS 69 HD1 LYS 69 -11.660 4.678 8.227 566 1HE LYS 69 HE2 LYS 69 -13.220 6.083 9.058 567 2HE LYS 69 HE1 LYS 69 -12.920 7.309 7.825 568 1HZ LYS 69 HZ1 LYS 69 -14.920 6.632 7.101 569 2HZ LYS 69 HZ2 LYS 69 -14.820 5.111 7.833 570 3HZ LYS 69 HZ3 LYS 69 -14.040 5.395 6.358 571 H LEU 70 HN LEU 70 -8.194 6.918 3.560 572 HA LEU 70 HA LEU 70 -7.493 9.558 4.339 573 1HB LEU 70 HB2 LEU 70 -6.595 7.844 2.026 574 2HB LEU 70 HB1 LEU 70 -5.902 9.410 2.399 575 HG LEU 70 HG LEU 70 -5.937 7.293 4.508 576 1HD1 LEU 70 HD11 LEU 70 -4.387 7.254 2.000 577 2HD1 LEU 70 HD12 LEU 70 -4.853 5.933 3.071 578 3HD1 LEU 70 HD13 LEU 70 -3.480 6.960 3.483 579 1HD2 LEU 70 HD21 LEU 70 -5.148 9.260 5.399 580 2HD2 LEU 70 HD22 LEU 70 -4.404 9.774 3.885 581 3HD2 LEU 70 HD23 LEU 70 -3.648 8.510 4.855 582 H LYS 71 HN LYS 71 -8.919 8.231 1.361 583 HA LYS 71 HA LYS 71 -9.213 10.737 0.077 584 1HB LYS 71 HB2 LYS 71 -10.720 9.519 -1.465 585 2HB LYS 71 HB1 LYS 71 -9.188 8.698 -1.219 586 1HG LYS 71 HG2 LYS 71 -10.130 6.959 -0.083 587 2HG LYS 71 HG1 LYS 71 -11.480 7.932 0.501 588 1HD LYS 71 HD2 LYS 71 -12.470 6.534 -1.082 589 2HD LYS 71 HD1 LYS 71 -12.200 8.033 -1.972 590 1HE LYS 71 HE2 LYS 71 -9.963 6.142 -2.059 591 2HE LYS 71 HE1 LYS 71 -11.440 5.555 -2.814 592 1HZ LYS 71 HZ1 LYS 71 -11.470 7.390 -4.279 593 2HZ LYS 71 HZ2 LYS 71 -9.892 6.798 -4.308 594 3HZ LYS 71 HZ3 LYS 71 -10.250 8.199 -3.432 595 H ASP 72 HN ASP 72 -11.220 8.914 2.281 596 HA ASP 72 HA ASP 72 -13.580 10.468 1.850 597 1HB ASP 72 HB2 ASP 72 -13.030 8.061 3.085 598 2HB ASP 72 HB1 ASP 72 -13.400 9.123 4.440 599 H TYR 73 HN TYR 73 -10.800 10.709 3.929 600 HA TYR 73 HA TYR 73 -11.960 12.579 5.758 601 1HB TYR 73 HB2 TYR 73 -10.100 11.174 6.452 602 2HB TYR 73 HB1 TYR 73 -9.074 11.878 5.208 603 HD1 TYR 73 HD1 TYR 73 -10.200 12.132 8.584 604 HD2 TYR 73 HD2 TYR 73 -8.580 14.387 5.364 605 HE1 TYR 73 HE1 TYR 73 -9.483 13.866 10.172 606 HE2 TYR 73 HE2 TYR 73 -7.851 16.127 6.943 607 HH TYR 73 HH TYR 73 -8.897 16.205 10.203 608 H LEU 74 HN LEU 74 -9.647 12.880 3.069 609 HA LEU 74 HA LEU 74 -9.356 15.669 3.227 610 1HB LEU 74 HB2 LEU 74 -8.514 15.508 0.902 611 2HB LEU 74 HB1 LEU 74 -7.758 14.377 2.008 612 HG LEU 74 HG LEU 74 -9.644 12.758 1.063 613 1HD1 LEU 74 HD11 LEU 74 -9.313 13.586 -1.570 614 2HD1 LEU 74 HD12 LEU 74 -9.741 15.053 -0.689 615 3HD1 LEU 74 HD13 LEU 74 -10.790 13.643 -0.618 616 1HD2 LEU 74 HD21 LEU 74 -7.843 12.398 -0.894 617 2HD2 LEU 74 HD22 LEU 74 -7.576 11.894 0.774 618 3HD2 LEU 74 HD23 LEU 74 -6.902 13.416 0.194 619 H ARG 75 HN ARG 75 -11.540 13.667 1.278 620 HA ARG 75 HA ARG 75 -12.720 15.765 -0.168 621 1HB ARG 75 HB2 ARG 75 -14.460 14.206 -0.741 622 2HB ARG 75 HB1 ARG 75 -12.930 13.343 -0.720 623 1HG ARG 75 HG2 ARG 75 -13.450 12.402 1.449 624 2HG ARG 75 HG1 ARG 75 -14.950 13.326 1.508 625 1HD ARG 75 HD2 ARG 75 -15.220 12.054 -0.871 626 2HD ARG 75 HD1 ARG 75 -14.300 10.860 0.042 627 HE ARG 75 HE ARG 75 -16.150 10.472 1.344 628 1HH1 ARG 75 HH11 ARG 75 -16.630 13.413 -0.470 629 2HH1 ARG 75 HH12 ARG 75 -18.300 13.561 -0.023 630 1HH2 ARG 75 HH21 ARG 75 -18.340 10.664 1.933 631 2HH2 ARG 75 HH22 ARG 75 -19.270 12.001 1.342 632 H SER 76 HN SER 76 -13.550 14.322 2.952 633 HA SER 76 HA SER 76 -15.960 15.735 3.335 634 1HB SER 76 HB2 SER 76 -15.800 15.033 5.660 635 2HB SER 76 HB1 SER 76 -15.330 13.698 4.609 636 HG SER 76 HG SER 76 -13.930 14.191 6.489 637 H LYS 77 HN LYS 77 -12.690 16.311 4.626 638 HA LYS 77 HA LYS 77 -13.390 18.794 5.831 639 1HB LYS 77 HB2 LYS 77 -11.310 17.085 6.125 640 2HB LYS 77 HB1 LYS 77 -10.560 18.324 5.129 641 1HG LYS 77 HG2 LYS 77 -12.110 19.301 7.432 642 2HG LYS 77 HG1 LYS 77 -10.640 18.404 7.810 643 1HD LYS 77 HD2 LYS 77 -9.295 20.027 7.003 644 2HD LYS 77 HD1 LYS 77 -10.390 20.424 5.680 645 1HE LYS 77 HE2 LYS 77 -11.870 21.322 7.701 646 2HE LYS 77 HE1 LYS 77 -10.280 21.487 8.448 647 1HZ LYS 77 HZ1 LYS 77 -10.980 22.616 5.795 648 2HZ LYS 77 HZ2 LYS 77 -9.573 22.898 6.683 649 3HZ LYS 77 HZ3 LYS 77 -11.050 23.491 7.241 Start of MODEL 20 1 1H MET 1 HT1 MET 1 19.391 -2.718 -2.930 2 2H MET 1 HT2 MET 1 20.821 -3.260 -2.149 3 3H MET 1 HT3 MET 1 19.694 -4.398 -2.766 4 HA MET 1 HA MET 1 21.401 -2.542 -4.278 5 1HB MET 1 HB2 MET 1 21.458 -5.386 -3.513 6 2HB MET 1 HB1 MET 1 21.777 -5.087 -5.216 7 1HG MET 1 HG2 MET 1 23.232 -3.345 -3.354 8 2HG MET 1 HG1 MET 1 23.649 -5.056 -3.269 9 1HE MET 1 HE1 MET 1 25.493 -6.039 -4.738 10 2HE MET 1 HE2 MET 1 25.411 -5.854 -6.490 11 3HE MET 1 HE3 MET 1 24.012 -6.456 -5.600 12 H THR 2 HN THR 2 18.990 -5.156 -4.561 13 HA THR 2 HA THR 2 18.176 -3.999 -7.146 14 HB THR 2 HB THR 2 17.250 -6.306 -7.612 15 HG1 THR 2 HG1 THR 2 17.807 -7.952 -6.304 16 1HG2 THR 2 HG21 THR 2 19.432 -5.560 -8.523 17 2HG2 THR 2 HG22 THR 2 19.319 -7.300 -8.257 18 3HG2 THR 2 HG23 THR 2 20.216 -6.291 -7.123 19 H THR 3 HN THR 3 16.148 -3.289 -7.368 20 HA THR 3 HA THR 3 14.370 -3.472 -5.071 21 HB THR 3 HB THR 3 13.806 -1.975 -7.622 22 HG1 THR 3 HG1 THR 3 14.872 -0.207 -6.652 23 1HG2 THR 3 HG21 THR 3 12.963 -1.604 -4.764 24 2HG2 THR 3 HG22 THR 3 11.946 -1.944 -6.165 25 3HG2 THR 3 HG23 THR 3 12.743 -0.378 -6.014 26 H SER 4 HN SER 4 12.599 -4.708 -4.972 27 HA SER 4 HA SER 4 11.746 -6.087 -7.433 28 1HB SER 4 HB2 SER 4 12.210 -7.075 -4.671 29 2HB SER 4 HB1 SER 4 10.823 -7.744 -5.529 30 HG SER 4 HG SER 4 13.016 -8.776 -5.769 31 H THR 5 HN THR 5 9.410 -7.135 -6.826 32 HA THR 5 HA THR 5 7.655 -4.895 -6.745 33 HB THR 5 HB THR 5 6.829 -7.780 -6.464 34 HG1 THR 5 HG1 THR 5 7.376 -6.411 -8.883 35 1HG2 THR 5 HG21 THR 5 5.485 -5.558 -7.972 36 2HG2 THR 5 HG22 THR 5 5.087 -5.993 -6.309 37 3HG2 THR 5 HG23 THR 5 4.852 -7.164 -7.608 38 H LEU 6 HN LEU 6 8.584 -7.385 -4.440 39 HA LEU 6 HA LEU 6 6.622 -6.672 -2.487 40 1HB LEU 6 HB2 LEU 6 8.209 -8.836 -2.856 41 2HB LEU 6 HB1 LEU 6 9.099 -8.008 -1.593 42 HG LEU 6 HG LEU 6 6.975 -7.969 -0.243 43 1HD1 LEU 6 HD11 LEU 6 5.213 -8.270 -1.690 44 2HD1 LEU 6 HD12 LEU 6 5.396 -9.893 -1.022 45 3HD1 LEU 6 HD13 LEU 6 6.047 -9.517 -2.617 46 1HD2 LEU 6 HD21 LEU 6 8.141 -10.630 -1.038 47 2HD2 LEU 6 HD22 LEU 6 7.129 -10.360 0.380 48 3HD2 LEU 6 HD23 LEU 6 8.701 -9.571 0.254 49 H GLN 7 HN GLN 7 9.903 -5.696 -3.195 50 HA GLN 7 HA GLN 7 10.381 -4.365 -0.722 51 1HB GLN 7 HB2 GLN 7 11.942 -5.103 -2.846 52 2HB GLN 7 HB1 GLN 7 11.831 -3.364 -3.076 53 1HG GLN 7 HG2 GLN 7 12.626 -4.610 -0.463 54 2HG GLN 7 HG1 GLN 7 13.787 -4.202 -1.726 55 1HE2 GLN 7 HE21 GLN 7 12.174 -3.105 0.979 56 2HE2 GLN 7 HE22 GLN 7 12.498 -1.417 0.817 57 H LYS 8 HN LYS 8 9.038 -3.410 -3.822 58 HA LYS 8 HA LYS 8 9.034 -0.612 -3.306 59 1HB LYS 8 HB2 LYS 8 7.672 -2.387 -5.305 60 2HB LYS 8 HB1 LYS 8 7.219 -0.693 -5.174 61 1HG LYS 8 HG2 LYS 8 9.609 -0.097 -5.546 62 2HG LYS 8 HG1 LYS 8 9.930 -1.804 -5.855 63 1HD LYS 8 HD2 LYS 8 8.210 -1.722 -7.663 64 2HD LYS 8 HD1 LYS 8 8.104 0.021 -7.413 65 1HE LYS 8 HE2 LYS 8 9.699 0.128 -8.988 66 2HE LYS 8 HE1 LYS 8 10.788 -0.320 -7.677 67 1HZ LYS 8 HZ1 LYS 8 11.251 -1.797 -9.413 68 2HZ LYS 8 HZ2 LYS 8 9.617 -2.069 -9.755 69 3HZ LYS 8 HZ3 LYS 8 10.299 -2.695 -8.341 70 H ALA 9 HN ALA 9 6.779 -3.227 -2.698 71 HA ALA 9 HA ALA 9 4.515 -1.664 -2.083 72 1HB ALA 9 HB1 ALA 9 4.711 -4.207 -2.505 73 2HB ALA 9 HB2 ALA 9 3.520 -3.624 -1.341 74 3HB ALA 9 HB3 ALA 9 5.047 -4.304 -0.775 75 H ILE 10 HN ILE 10 7.183 -2.866 -0.102 76 HA ILE 10 HA ILE 10 6.110 -1.994 2.382 77 HB ILE 10 HB ILE 10 9.020 -2.450 1.720 78 1HG1 ILE 10 HG12 ILE 10 7.302 -4.533 3.000 79 2HG1 ILE 10 HG11 ILE 10 7.211 -4.329 1.253 80 1HG2 ILE 10 HG21 ILE 10 8.976 -3.148 4.199 81 2HG2 ILE 10 HG22 ILE 10 7.459 -2.252 4.268 82 3HG2 ILE 10 HG23 ILE 10 8.948 -1.428 3.806 83 1HD1 ILE 10 HD11 ILE 10 9.453 -4.929 0.959 84 2HD1 ILE 10 HD12 ILE 10 8.819 -6.073 2.141 85 3HD1 ILE 10 HD13 ILE 10 9.821 -4.722 2.671 86 H ASP 11 HN ASP 11 8.183 -0.520 -0.043 87 HA ASP 11 HA ASP 11 8.835 1.763 1.573 88 1HB ASP 11 HB2 ASP 11 9.392 0.864 -1.202 89 2HB ASP 11 HB1 ASP 11 9.450 2.599 -0.904 90 H LEU 12 HN LEU 12 6.383 0.939 -0.775 91 HA LEU 12 HA LEU 12 5.469 3.578 -1.276 92 1HB LEU 12 HB2 LEU 12 4.553 0.836 -1.848 93 2HB LEU 12 HB1 LEU 12 3.278 2.034 -1.743 94 HG LEU 12 HG LEU 12 4.057 1.690 -4.051 95 1HD1 LEU 12 HD11 LEU 12 5.013 4.421 -3.490 96 2HD1 LEU 12 HD12 LEU 12 3.411 4.017 -2.872 97 3HD1 LEU 12 HD13 LEU 12 3.757 3.857 -4.594 98 1HD2 LEU 12 HD21 LEU 12 6.273 1.181 -4.099 99 2HD2 LEU 12 HD22 LEU 12 6.673 2.298 -2.794 100 3HD2 LEU 12 HD23 LEU 12 6.385 2.912 -4.422 101 H VAL 13 HN VAL 13 4.745 1.178 1.168 102 HA VAL 13 HA VAL 13 2.461 2.597 2.204 103 HB VAL 13 HB VAL 13 2.569 0.955 4.064 104 1HG1 VAL 13 HG11 VAL 13 1.341 0.510 1.952 105 2HG1 VAL 13 HG12 VAL 13 1.906 -0.953 2.760 106 3HG1 VAL 13 HG13 VAL 13 2.764 -0.339 1.348 107 1HG2 VAL 13 HG21 VAL 13 4.859 -0.282 2.546 108 2HG2 VAL 13 HG22 VAL 13 4.175 -0.809 4.084 109 3HG2 VAL 13 HG23 VAL 13 5.062 0.713 3.990 110 H THR 14 HN THR 14 5.886 2.401 2.892 111 HA THR 14 HA THR 14 5.806 3.647 5.440 112 HB THR 14 HB THR 14 8.118 3.665 3.497 113 HG1 THR 14 HG1 THR 14 7.999 1.583 3.668 114 1HG2 THR 14 HG21 THR 14 9.400 3.385 5.677 115 2HG2 THR 14 HG22 THR 14 7.920 3.919 6.472 116 3HG2 THR 14 HG23 THR 14 8.734 4.977 5.320 117 H LYS 15 HN LYS 15 6.133 4.854 2.147 118 HA LYS 15 HA LYS 15 6.691 7.548 2.911 119 1HB LYS 15 HB2 LYS 15 6.481 6.042 0.471 120 2HB LYS 15 HB1 LYS 15 5.560 7.533 0.323 121 1HG LYS 15 HG2 LYS 15 7.519 8.418 -0.288 122 2HG LYS 15 HG1 LYS 15 7.851 8.451 1.446 123 1HD LYS 15 HD2 LYS 15 8.512 5.863 0.589 124 2HD LYS 15 HD1 LYS 15 9.158 6.955 -0.639 125 1HE LYS 15 HE2 LYS 15 9.599 7.731 2.177 126 2HE LYS 15 HE1 LYS 15 10.473 6.307 1.612 127 1HZ LYS 15 HZ1 LYS 15 11.809 8.243 1.256 128 2HZ LYS 15 HZ2 LYS 15 10.561 9.028 0.428 129 3HZ LYS 15 HZ3 LYS 15 11.302 7.669 -0.253 130 H ALA 16 HN ALA 16 3.795 5.692 2.330 131 HA ALA 16 HA ALA 16 2.021 7.907 2.086 132 1HB ALA 16 HB1 ALA 16 0.933 5.362 3.099 133 2HB ALA 16 HB2 ALA 16 1.786 5.277 1.558 134 3HB ALA 16 HB3 ALA 16 0.411 6.365 1.746 135 H THR 17 HN THR 17 2.862 5.735 4.772 136 HA THR 17 HA THR 17 1.126 6.817 6.678 137 HB THR 17 HB THR 17 2.220 4.710 7.086 138 HG1 THR 17 HG1 THR 17 1.963 5.354 9.065 139 1HG2 THR 17 HG21 THR 17 4.816 6.226 7.182 140 2HG2 THR 17 HG22 THR 17 4.331 5.065 5.947 141 3HG2 THR 17 HG23 THR 17 4.591 4.529 7.606 142 H GLU 18 HN GLU 18 4.468 7.678 5.862 143 HA GLU 18 HA GLU 18 4.752 9.654 7.872 144 1HB GLU 18 HB2 GLU 18 6.723 10.379 6.602 145 2HB GLU 18 HB1 GLU 18 6.688 8.631 6.794 146 1HG GLU 18 HG2 GLU 18 5.862 8.384 4.520 147 2HG GLU 18 HG1 GLU 18 5.851 10.136 4.325 148 H GLU 19 HN GLU 19 3.703 9.761 4.505 149 HA GLU 19 HA GLU 19 3.572 12.578 4.290 150 1HB GLU 19 HB2 GLU 19 2.300 10.320 2.763 151 2HB GLU 19 HB1 GLU 19 1.922 11.997 2.392 152 1HG GLU 19 HG2 GLU 19 4.722 10.907 2.420 153 2HG GLU 19 HG1 GLU 19 3.702 10.937 0.980 154 H ASP 20 HN ASP 20 1.235 10.130 5.285 155 HA ASP 20 HA ASP 20 -1.073 11.668 5.362 156 1HB ASP 20 HB2 ASP 20 -0.680 9.129 5.846 157 2HB ASP 20 HB1 ASP 20 -0.510 9.660 7.517 158 H LYS 21 HN LYS 21 1.478 11.323 7.786 159 HA LYS 21 HA LYS 21 0.173 12.988 9.714 160 1HB LYS 21 HB2 LYS 21 3.015 11.992 9.499 161 2HB LYS 21 HB1 LYS 21 2.409 12.928 10.858 162 1HG LYS 21 HG2 LYS 21 1.255 11.188 11.722 163 2HG LYS 21 HG1 LYS 21 0.866 10.517 10.136 164 1HD LYS 21 HD2 LYS 21 2.817 9.326 10.010 165 2HD LYS 21 HD1 LYS 21 3.704 10.465 11.025 166 1HE LYS 21 HE2 LYS 21 1.504 9.073 12.378 167 2HE LYS 21 HE1 LYS 21 2.810 8.022 11.832 168 1HZ LYS 21 HZ1 LYS 21 3.314 10.484 13.398 169 2HZ LYS 21 HZ2 LYS 21 4.365 9.188 13.122 170 3HZ LYS 21 HZ3 LYS 21 3.026 8.988 14.135 171 H ALA 22 HN ALA 22 2.050 13.589 6.918 172 HA ALA 22 HA ALA 22 2.835 16.257 7.818 173 1HB ALA 22 HB1 ALA 22 3.453 14.873 5.211 174 2HB ALA 22 HB2 ALA 22 4.486 14.852 6.640 175 3HB ALA 22 HB3 ALA 22 4.167 16.373 5.806 176 H LYS 23 HN LYS 23 0.014 15.520 7.296 177 HA LYS 23 HA LYS 23 -1.846 16.398 6.325 178 1HB LYS 23 HB2 LYS 23 -0.558 18.487 7.152 179 2HB LYS 23 HB1 LYS 23 -0.192 18.750 5.452 180 1HG LYS 23 HG2 LYS 23 -2.241 19.511 5.011 181 2HG LYS 23 HG1 LYS 23 -3.017 18.240 5.958 182 1HD LYS 23 HD2 LYS 23 -2.425 19.489 8.021 183 2HD LYS 23 HD1 LYS 23 -1.791 20.789 7.009 184 1HE LYS 23 HE2 LYS 23 -4.210 20.568 5.916 185 2HE LYS 23 HE1 LYS 23 -4.594 19.972 7.531 186 1HZ LYS 23 HZ1 LYS 23 -3.688 22.011 8.458 187 2HZ LYS 23 HZ2 LYS 23 -4.932 22.355 7.365 188 3HZ LYS 23 HZ3 LYS 23 -3.320 22.582 6.908 189 H ASN 24 HN ASN 24 -0.056 14.737 4.713 190 HA ASN 24 HA ASN 24 -0.650 15.796 2.030 191 1HB ASN 24 HB2 ASN 24 1.651 14.333 3.144 192 2HB ASN 24 HB1 ASN 24 1.093 13.736 1.584 193 1HD2 ASN 24 HD21 ASN 24 3.509 15.273 2.511 194 2HD2 ASN 24 HD22 ASN 24 3.599 16.618 1.430 195 H TYR 25 HN TYR 25 -2.742 14.673 3.359 196 HA TYR 25 HA TYR 25 -3.149 11.944 3.185 197 1HB TYR 25 HB2 TYR 25 -5.170 14.148 2.726 198 2HB TYR 25 HB1 TYR 25 -5.561 12.467 3.070 199 HD1 TYR 25 HD1 TYR 25 -4.163 15.573 4.472 200 HD2 TYR 25 HD2 TYR 25 -5.424 11.594 5.299 201 HE1 TYR 25 HE1 TYR 25 -4.096 16.059 6.882 202 HE2 TYR 25 HE2 TYR 25 -5.362 12.069 7.711 203 HH TYR 25 HH TYR 25 -3.928 14.913 8.988 204 H GLU 26 HN GLU 26 -3.196 14.351 0.656 205 HA GLU 26 HA GLU 26 -4.513 12.804 -1.316 206 1HB GLU 26 HB2 GLU 26 -2.539 15.070 -1.644 207 2HB GLU 26 HB1 GLU 26 -3.566 14.427 -2.917 208 1HG GLU 26 HG2 GLU 26 -5.080 15.192 -0.566 209 2HG GLU 26 HG1 GLU 26 -4.150 16.531 -1.235 210 H GLU 27 HN GLU 27 -1.077 13.354 -0.606 211 HA GLU 27 HA GLU 27 -0.132 11.678 -2.703 212 1HB GLU 27 HB2 GLU 27 1.138 13.540 -1.495 213 2HB GLU 27 HB1 GLU 27 1.397 12.376 -0.202 214 1HG GLU 27 HG2 GLU 27 3.040 11.371 -1.303 215 2HG GLU 27 HG1 GLU 27 2.096 11.286 -2.791 216 H ALA 28 HN ALA 28 -0.737 11.198 0.745 217 HA ALA 28 HA ALA 28 0.380 8.651 1.017 218 1HB ALA 28 HB1 ALA 28 -1.095 8.414 2.976 219 2HB ALA 28 HB2 ALA 28 -1.969 9.861 2.472 220 3HB ALA 28 HB3 ALA 28 -0.272 9.973 2.939 221 H LEU 29 HN LEU 29 -2.698 9.687 -0.283 222 HA LEU 29 HA LEU 29 -4.021 7.202 -0.255 223 1HB LEU 29 HB2 LEU 29 -5.132 9.377 -0.637 224 2HB LEU 29 HB1 LEU 29 -4.350 9.485 -2.203 225 HG LEU 29 HG LEU 29 -5.569 7.492 -2.957 226 1HD1 LEU 29 HD11 LEU 29 -7.386 6.585 -1.581 227 2HD1 LEU 29 HD12 LEU 29 -6.882 7.621 -0.246 228 3HD1 LEU 29 HD13 LEU 29 -5.807 6.350 -0.831 229 1HD2 LEU 29 HD21 LEU 29 -7.638 8.545 -3.303 230 2HD2 LEU 29 HD22 LEU 29 -6.484 9.865 -3.113 231 3HD2 LEU 29 HD23 LEU 29 -7.544 9.422 -1.776 232 H ARG 30 HN ARG 30 -2.123 8.801 -2.804 233 HA ARG 30 HA ARG 30 -2.351 6.636 -4.637 234 1HB ARG 30 HB2 ARG 30 -0.399 8.942 -4.530 235 2HB ARG 30 HB1 ARG 30 -0.540 7.820 -5.876 236 1HG ARG 30 HG2 ARG 30 -2.894 9.405 -4.917 237 2HG ARG 30 HG1 ARG 30 -1.725 10.076 -6.056 238 1HD ARG 30 HD2 ARG 30 -2.231 7.668 -7.192 239 2HD ARG 30 HD1 ARG 30 -3.791 8.021 -6.449 240 HE ARG 30 HE ARG 30 -4.114 9.689 -7.988 241 1HH1 ARG 30 HH11 ARG 30 -0.762 8.718 -8.048 242 2HH1 ARG 30 HH12 ARG 30 -0.388 9.648 -9.460 243 1HH2 ARG 30 HH21 ARG 30 -3.624 10.912 -9.845 244 2HH2 ARG 30 HH22 ARG 30 -2.012 10.894 -10.480 245 H LEU 31 HN LEU 31 -0.034 7.524 -2.158 246 HA LEU 31 HA LEU 31 2.002 5.706 -2.914 247 1HB LEU 31 HB2 LEU 31 1.411 7.445 -0.621 248 2HB LEU 31 HB1 LEU 31 2.336 6.011 -0.216 249 HG LEU 31 HG LEU 31 3.826 7.872 -0.648 250 1HD1 LEU 31 HD11 LEU 31 5.349 6.719 -1.905 251 2HD1 LEU 31 HD12 LEU 31 4.150 6.210 -3.093 252 3HD1 LEU 31 HD13 LEU 31 4.218 5.423 -1.516 253 1HD2 LEU 31 HD21 LEU 31 2.598 7.963 -3.402 254 2HD2 LEU 31 HD22 LEU 31 3.945 8.945 -2.823 255 3HD2 LEU 31 HD23 LEU 31 2.339 9.151 -2.124 256 H TYR 32 HN TYR 32 -0.816 5.450 -0.822 257 HA TYR 32 HA TYR 32 -0.121 2.863 0.195 258 1HB TYR 32 HB2 TYR 32 -2.352 4.764 0.492 259 2HB TYR 32 HB1 TYR 32 -2.807 3.069 0.632 260 HD1 TYR 32 HD1 TYR 32 -0.737 1.768 2.047 261 HD2 TYR 32 HD2 TYR 32 -2.150 5.749 2.562 262 HE1 TYR 32 HE1 TYR 32 0.060 1.745 4.373 263 HE2 TYR 32 HE2 TYR 32 -1.356 5.735 4.889 264 HH TYR 32 HH TYR 32 -0.851 4.044 6.654 265 H GLN 33 HN GLN 33 -2.323 4.076 -2.301 266 HA GLN 33 HA GLN 33 -3.491 1.621 -2.986 267 1HB GLN 33 HB2 GLN 33 -3.037 4.137 -4.588 268 2HB GLN 33 HB1 GLN 33 -3.941 2.761 -5.206 269 1HG GLN 33 HG2 GLN 33 -4.932 3.472 -2.619 270 2HG GLN 33 HG1 GLN 33 -4.883 4.900 -3.651 271 1HE2 GLN 33 HE21 GLN 33 -6.745 5.249 -4.601 272 2HE2 GLN 33 HE22 GLN 33 -7.828 4.047 -5.210 273 H HIS 34 HN HIS 34 -0.565 3.221 -4.151 274 HA HIS 34 HA HIS 34 0.004 1.383 -6.224 275 1HB HIS 34 HB2 HIS 34 1.482 3.533 -4.805 276 2HB HIS 34 HB1 HIS 34 2.450 2.328 -5.647 277 HD1 HIS 34 HD1 HIS 34 2.817 2.746 -8.064 278 HD2 HIS 34 HD2 HIS 34 -0.487 4.805 -6.614 279 HE1 HIS 34 HE1 HIS 34 2.025 4.176 -9.975 280 HE2 HIS 34 HE2 HIS 34 0.077 5.477 -9.047 281 H ALA 35 HN ALA 35 0.718 1.431 -2.797 282 HA ALA 35 HA ALA 35 2.654 -0.650 -2.828 283 1HB ALA 35 HB1 ALA 35 1.364 1.010 -0.861 284 2HB ALA 35 HB2 ALA 35 2.919 0.182 -0.784 285 3HB ALA 35 HB3 ALA 35 1.446 -0.662 -0.308 286 H VAL 36 HN VAL 36 -0.847 -0.573 -2.488 287 HA VAL 36 HA VAL 36 -1.145 -3.300 -1.743 288 HB VAL 36 HB VAL 36 -3.199 -1.546 -3.091 289 1HG1 VAL 36 HG11 VAL 36 -4.745 -3.115 -2.618 290 2HG1 VAL 36 HG12 VAL 36 -3.982 -3.557 -1.090 291 3HG1 VAL 36 HG13 VAL 36 -3.353 -4.199 -2.608 292 1HG2 VAL 36 HG21 VAL 36 -3.314 -1.873 -0.178 293 2HG2 VAL 36 HG22 VAL 36 -3.595 -0.445 -1.173 294 3HG2 VAL 36 HG23 VAL 36 -1.948 -0.922 -0.760 295 H GLU 37 HN GLU 37 -1.033 -1.598 -4.811 296 HA GLU 37 HA GLU 37 -1.975 -3.711 -6.435 297 1HB GLU 37 HB2 GLU 37 -0.298 -1.275 -6.999 298 2HB GLU 37 HB1 GLU 37 -0.706 -2.429 -8.260 299 1HG GLU 37 HG2 GLU 37 -3.097 -1.771 -6.901 300 2HG GLU 37 HG1 GLU 37 -2.245 -0.267 -7.249 301 H TYR 38 HN TYR 38 1.212 -2.839 -5.237 302 HA TYR 38 HA TYR 38 2.640 -4.701 -6.860 303 1HB TYR 38 HB2 TYR 38 3.356 -3.155 -4.372 304 2HB TYR 38 HB1 TYR 38 4.477 -4.282 -5.130 305 HD1 TYR 38 HD1 TYR 38 3.847 -0.959 -4.835 306 HD2 TYR 38 HD2 TYR 38 4.430 -3.863 -7.889 307 HE1 TYR 38 HE1 TYR 38 4.578 0.814 -6.374 308 HE2 TYR 38 HE2 TYR 38 5.163 -2.098 -9.435 309 HH TYR 38 HH TYR 38 5.976 1.009 -8.428 310 H PHE 39 HN PHE 39 1.063 -4.842 -3.748 311 HA PHE 39 HA PHE 39 2.277 -7.243 -2.843 312 1HB PHE 39 HB2 PHE 39 -0.165 -5.689 -2.068 313 2HB PHE 39 HB1 PHE 39 0.084 -7.303 -1.410 314 HD1 PHE 39 HD1 PHE 39 0.367 -4.057 -0.561 315 HD2 PHE 39 HD2 PHE 39 2.795 -7.546 -0.752 316 HE1 PHE 39 HE1 PHE 39 1.847 -3.116 1.165 317 HE2 PHE 39 HE2 PHE 39 4.280 -6.612 0.974 318 HZ PHE 39 HZ PHE 39 3.806 -4.395 1.935 319 H LEU 40 HN LEU 40 -0.853 -6.577 -4.401 320 HA LEU 40 HA LEU 40 -1.709 -9.258 -4.510 321 1HB LEU 40 HB2 LEU 40 -2.481 -6.727 -5.878 322 2HB LEU 40 HB1 LEU 40 -3.058 -8.237 -6.554 323 HG LEU 40 HG LEU 40 -3.735 -8.594 -3.958 324 1HD1 LEU 40 HD11 LEU 40 -2.890 -6.285 -3.453 325 2HD1 LEU 40 HD12 LEU 40 -4.565 -6.591 -2.995 326 3HD1 LEU 40 HD13 LEU 40 -4.204 -5.663 -4.451 327 1HD2 LEU 40 HD21 LEU 40 -5.248 -8.955 -5.773 328 2HD2 LEU 40 HD22 LEU 40 -5.299 -7.231 -6.144 329 3HD2 LEU 40 HD23 LEU 40 -6.011 -7.832 -4.647 330 H HIS 41 HN HIS 41 0.157 -7.270 -6.747 331 HA HIS 41 HA HIS 41 0.165 -9.102 -8.899 332 1HB HIS 41 HB2 HIS 41 0.735 -6.719 -9.161 333 2HB HIS 41 HB1 HIS 41 2.195 -6.967 -8.209 334 HD1 HIS 41 HD1 HIS 41 0.858 -7.222 -11.610 335 HD2 HIS 41 HD2 HIS 41 4.176 -8.601 -9.529 336 HE1 HIS 41 HE1 HIS 41 2.495 -7.973 -13.370 337 HE2 HIS 41 HE2 HIS 41 4.459 -8.882 -12.080 338 H ALA 42 HN ALA 42 2.091 -8.812 -6.007 339 HA ALA 42 HA ALA 42 4.198 -10.540 -6.863 340 1HB ALA 42 HB1 ALA 42 5.010 -10.410 -4.630 341 2HB ALA 42 HB2 ALA 42 3.437 -9.889 -4.024 342 3HB ALA 42 HB3 ALA 42 4.385 -8.816 -5.053 343 H ILE 43 HN ILE 43 1.206 -10.960 -5.041 344 HA ILE 43 HA ILE 43 1.689 -13.660 -4.296 345 HB ILE 43 HB ILE 43 -0.990 -12.300 -4.594 346 1HG1 ILE 43 HG12 ILE 43 0.513 -12.540 -2.006 347 2HG1 ILE 43 HG11 ILE 43 0.855 -11.200 -3.101 348 1HG2 ILE 43 HG21 ILE 43 -0.976 -14.790 -4.361 349 2HG2 ILE 43 HG22 ILE 43 -1.805 -13.940 -3.053 350 3HG2 ILE 43 HG23 ILE 43 -0.183 -14.580 -2.798 351 1HD1 ILE 43 HD11 ILE 43 -1.977 -11.490 -2.717 352 2HD1 ILE 43 HD12 ILE 43 -0.932 -10.100 -2.406 353 3HD1 ILE 43 HD13 ILE 43 -1.143 -11.340 -1.170 354 H LYS 44 HN LYS 44 0.219 -12.130 -7.090 355 HA LYS 44 HA LYS 44 -0.875 -14.550 -8.166 356 1HB LYS 44 HB2 LYS 44 -1.421 -11.980 -8.629 357 2HB LYS 44 HB1 LYS 44 -0.276 -12.230 -9.937 358 1HG LYS 44 HG2 LYS 44 -1.873 -14.400 -10.220 359 2HG LYS 44 HG1 LYS 44 -3.021 -13.210 -9.606 360 1HD LYS 44 HD2 LYS 44 -3.081 -12.150 -11.560 361 2HD LYS 44 HD1 LYS 44 -1.320 -12.040 -11.620 362 1HE LYS 44 HE2 LYS 44 -2.659 -14.630 -12.240 363 2HE LYS 44 HE1 LYS 44 -2.635 -13.360 -13.460 364 1HZ LYS 44 HZ1 LYS 44 -0.139 -14.150 -12.120 365 2HZ LYS 44 HZ2 LYS 44 -0.356 -13.450 -13.640 366 3HZ LYS 44 HZ3 LYS 44 -0.737 -15.080 -13.400 367 H TYR 45 HN TYR 45 1.967 -12.550 -8.938 368 HA TYR 45 HA TYR 45 2.921 -14.520 -10.830 369 1HB TYR 45 HB2 TYR 45 3.952 -11.850 -9.906 370 2HB TYR 45 HB1 TYR 45 4.913 -12.900 -10.940 371 HD1 TYR 45 HD1 TYR 45 1.563 -11.270 -10.760 372 HD2 TYR 45 HD2 TYR 45 4.678 -12.760 -13.240 373 HE1 TYR 45 HE1 TYR 45 0.409 -10.370 -12.730 374 HE2 TYR 45 HE2 TYR 45 3.533 -11.860 -15.230 375 HH TYR 45 HH TYR 45 0.340 -10.840 -15.200 376 H GLU 46 HN GLU 46 4.423 -12.950 -8.004 377 HA GLU 46 HA GLU 46 6.226 -15.200 -7.694 378 1HB GLU 46 HB2 GLU 46 5.946 -12.720 -5.984 379 2HB GLU 46 HB1 GLU 46 7.277 -13.870 -5.948 380 1HG GLU 46 HG2 GLU 46 7.100 -13.040 -8.604 381 2HG GLU 46 HG1 GLU 46 6.868 -11.580 -7.644 382 H ALA 47 HN ALA 47 3.944 -16.360 -7.361 383 HA ALA 47 HA ALA 47 2.698 -16.220 -4.844 384 1HB ALA 47 HB1 ALA 47 2.731 -18.850 -6.178 385 2HB ALA 47 HB2 ALA 47 2.130 -17.500 -7.142 386 3HB ALA 47 HB3 ALA 47 1.374 -17.880 -5.596 387 H HIS 48 HN HIS 48 2.950 -17.400 -2.967 388 HA HIS 48 HA HIS 48 5.302 -19.150 -2.780 389 1HB HIS 48 HB2 HIS 48 5.094 -16.550 -1.648 390 2HB HIS 48 HB1 HIS 48 5.003 -17.700 -0.321 391 HD1 HIS 48 HD1 HIS 48 7.113 -18.160 -3.421 392 HD2 HIS 48 HD2 HIS 48 7.556 -17.390 0.637 393 HE1 HIS 48 HE1 HIS 48 9.582 -18.320 -2.972 394 HE2 HIS 48 HE2 HIS 48 9.834 -17.760 -0.528 395 H SER 49 HN SER 49 5.149 -19.700 -0.069 396 HA SER 49 HA SER 49 3.148 -21.680 -0.003 397 1HB SER 49 HB2 SER 49 5.413 -21.120 1.472 398 2HB SER 49 HB1 SER 49 4.116 -20.840 2.633 399 HG SER 49 HG SER 49 5.086 -23.110 2.160 400 H ASP 50 HN ASP 50 1.630 -21.830 1.994 401 HA ASP 50 HA ASP 50 -0.382 -19.910 1.694 402 1HB ASP 50 HB2 ASP 50 -0.155 -22.380 2.924 403 2HB ASP 50 HB1 ASP 50 -0.466 -21.290 4.267 404 H LYS 51 HN LYS 51 2.308 -20.100 3.912 405 HA LYS 51 HA LYS 51 1.429 -18.230 5.818 406 1HB LYS 51 HB2 LYS 51 3.988 -19.490 5.070 407 2HB LYS 51 HB1 LYS 51 4.138 -17.920 5.852 408 1HG LYS 51 HG2 LYS 51 2.429 -19.000 7.552 409 2HG LYS 51 HG1 LYS 51 3.135 -20.490 6.933 410 1HD LYS 51 HD2 LYS 51 5.281 -18.730 7.421 411 2HD LYS 51 HD1 LYS 51 4.214 -18.630 8.823 412 1HE LYS 51 HE2 LYS 51 4.233 -21.130 8.921 413 2HE LYS 51 HE1 LYS 51 5.462 -21.110 7.658 414 1HZ LYS 51 HZ1 LYS 51 6.731 -19.590 9.249 415 2HZ LYS 51 HZ2 LYS 51 6.667 -21.240 9.620 416 3HZ LYS 51 HZ3 LYS 51 5.668 -20.150 10.440 417 H ALA 52 HN ALA 52 3.374 -17.830 2.874 418 HA ALA 52 HA ALA 52 3.660 -15.010 3.192 419 1HB ALA 52 HB1 ALA 52 5.019 -16.810 1.764 420 2HB ALA 52 HB2 ALA 52 5.003 -15.090 1.366 421 3HB ALA 52 HB3 ALA 52 3.945 -16.210 0.501 422 H LYS 53 HN LYS 53 1.545 -17.090 1.259 423 HA LYS 53 HA LYS 53 0.275 -15.100 -0.231 424 1HB LYS 53 HB2 LYS 53 0.112 -17.550 -0.642 425 2HB LYS 53 HB1 LYS 53 -0.960 -17.670 0.747 426 1HG LYS 53 HG2 LYS 53 -2.723 -16.840 -0.372 427 2HG LYS 53 HG1 LYS 53 -1.741 -15.690 -1.274 428 1HD LYS 53 HD2 LYS 53 -1.010 -17.410 -2.788 429 2HD LYS 53 HD1 LYS 53 -1.813 -18.650 -1.827 430 1HE LYS 53 HE2 LYS 53 -3.838 -18.190 -2.697 431 2HE LYS 53 HE1 LYS 53 -3.549 -16.450 -2.712 432 1HZ LYS 53 HZ1 LYS 53 -2.013 -16.950 -4.660 433 2HZ LYS 53 HZ2 LYS 53 -3.677 -17.050 -4.944 434 3HZ LYS 53 HZ3 LYS 53 -2.766 -18.460 -4.733 435 H GLU 54 HN GLU 54 -0.670 -16.570 2.866 436 HA GLU 54 HA GLU 54 -2.987 -14.970 3.211 437 1HB GLU 54 HB2 GLU 54 -1.310 -16.500 5.206 438 2HB GLU 54 HB1 GLU 54 -2.847 -15.740 5.593 439 1HG GLU 54 HG2 GLU 54 -2.776 -17.630 3.309 440 2HG GLU 54 HG1 GLU 54 -2.662 -18.290 4.938 441 H SER 55 HN SER 55 0.373 -14.610 4.189 442 HA SER 55 HA SER 55 0.019 -12.430 5.941 443 1HB SER 55 HB2 SER 55 2.422 -12.080 5.711 444 2HB SER 55 HB1 SER 55 2.080 -13.810 5.844 445 HG SER 55 HG SER 55 3.581 -13.260 4.156 446 H ILE 56 HN ILE 56 0.877 -12.550 2.491 447 HA ILE 56 HA ILE 56 1.025 -9.743 2.159 448 HB ILE 56 HB ILE 56 0.430 -11.790 0.023 449 1HG1 ILE 56 HG12 ILE 56 3.181 -10.750 0.492 450 2HG1 ILE 56 HG11 ILE 56 2.575 -11.970 1.609 451 1HG2 ILE 56 HG21 ILE 56 0.035 -9.522 -0.707 452 2HG2 ILE 56 HG22 ILE 56 1.502 -10.140 -1.466 453 3HG2 ILE 56 HG23 ILE 56 1.617 -9.023 -0.108 454 1HD1 ILE 56 HD11 ILE 56 3.826 -13.010 -0.160 455 2HD1 ILE 56 HD12 ILE 56 2.815 -12.230 -1.378 456 3HD1 ILE 56 HD13 ILE 56 2.124 -13.450 -0.301 457 H ARG 57 HN ARG 57 -1.566 -12.090 1.626 458 HA ARG 57 HA ARG 57 -3.421 -10.370 0.435 459 1HB ARG 57 HB2 ARG 57 -3.433 -12.980 0.852 460 2HB ARG 57 HB1 ARG 57 -4.357 -12.530 2.278 461 1HG ARG 57 HG2 ARG 57 -5.894 -13.050 0.542 462 2HG ARG 57 HG1 ARG 57 -5.932 -11.310 0.783 463 1HD ARG 57 HD2 ARG 57 -4.683 -10.910 -1.177 464 2HD ARG 57 HD1 ARG 57 -4.208 -12.600 -1.310 465 HE ARG 57 HE ARG 57 -6.195 -13.040 -2.363 466 1HH1 ARG 57 HH11 ARG 57 -6.386 -9.907 -0.852 467 2HH1 ARG 57 HH12 ARG 57 -7.896 -9.502 -1.596 468 1HH2 ARG 57 HH21 ARG 57 -8.180 -12.510 -3.343 469 2HH2 ARG 57 HH22 ARG 57 -8.916 -10.980 -3.010 470 H ALA 58 HN ALA 58 -2.646 -10.970 3.808 471 HA ALA 58 HA ALA 58 -4.851 -9.467 4.843 472 1HB ALA 58 HB1 ALA 58 -3.769 -11.290 6.106 473 2HB ALA 58 HB2 ALA 58 -3.813 -9.772 7.003 474 3HB ALA 58 HB3 ALA 58 -2.314 -10.300 6.241 475 H LYS 59 HN LYS 59 -1.572 -8.761 3.890 476 HA LYS 59 HA LYS 59 -1.421 -6.228 5.214 477 1HB LYS 59 HB2 LYS 59 0.263 -7.778 3.334 478 2HB LYS 59 HB1 LYS 59 0.471 -6.033 3.299 479 1HG LYS 59 HG2 LYS 59 0.765 -6.167 5.817 480 2HG LYS 59 HG1 LYS 59 0.902 -7.913 5.598 481 1HD LYS 59 HD2 LYS 59 2.737 -7.453 3.939 482 2HD LYS 59 HD1 LYS 59 2.679 -5.766 4.453 483 1HE LYS 59 HE2 LYS 59 3.703 -6.195 6.415 484 2HE LYS 59 HE1 LYS 59 2.874 -7.737 6.627 485 1HZ LYS 59 HZ1 LYS 59 5.269 -8.003 6.311 486 2HZ LYS 59 HZ2 LYS 59 5.161 -7.271 4.790 487 3HZ LYS 59 HZ3 LYS 59 4.393 -8.752 5.071 488 H CYS 60 HN CYS 60 -2.071 -7.265 1.883 489 HA CYS 60 HA CYS 60 -2.305 -4.678 0.788 490 1HB CYS 60 HB2 CYS 60 -3.357 -5.765 -1.119 491 2HB CYS 60 HB1 CYS 60 -1.977 -6.711 -0.573 492 HG CYS 60 HG CYS 60 -4.684 -7.795 -0.902 493 H VAL 61 HN VAL 61 -4.688 -6.877 2.201 494 HA VAL 61 HA VAL 61 -6.963 -5.313 1.577 495 HB VAL 61 HB VAL 61 -7.126 -7.688 2.185 496 1HG1 VAL 61 HG11 VAL 61 -6.355 -6.737 4.940 497 2HG1 VAL 61 HG12 VAL 61 -5.435 -7.820 3.896 498 3HG1 VAL 61 HG13 VAL 61 -6.981 -8.344 4.565 499 1HG2 VAL 61 HG21 VAL 61 -9.085 -7.515 3.650 500 2HG2 VAL 61 HG22 VAL 61 -9.097 -6.276 2.394 501 3HG2 VAL 61 HG23 VAL 61 -8.638 -5.854 4.045 502 H GLN 62 HN GLN 62 -4.743 -5.345 4.307 503 HA GLN 62 HA GLN 62 -6.273 -3.632 5.976 504 1HB GLN 62 HB2 GLN 62 -3.902 -5.105 6.207 505 2HB GLN 62 HB1 GLN 62 -3.421 -3.431 6.440 506 1HG GLN 62 HG2 GLN 62 -4.110 -3.567 8.533 507 2HG GLN 62 HG1 GLN 62 -5.759 -3.781 7.947 508 1HE2 GLN 62 HE21 GLN 62 -6.720 -5.452 8.828 509 2HE2 GLN 62 HE22 GLN 62 -5.979 -6.948 9.269 510 H TYR 63 HN TYR 63 -3.677 -3.078 3.640 511 HA TYR 63 HA TYR 63 -3.448 -0.289 4.159 512 1HB TYR 63 HB2 TYR 63 -2.581 -1.977 1.807 513 2HB TYR 63 HB1 TYR 63 -2.197 -0.267 1.975 514 HD1 TYR 63 HD1 TYR 63 -0.646 -3.201 2.105 515 HD2 TYR 63 HD2 TYR 63 -1.442 0.046 4.734 516 HE1 TYR 63 HE1 TYR 63 1.347 -3.787 3.423 517 HE2 TYR 63 HE2 TYR 63 0.548 -0.528 6.059 518 HH TYR 63 HH TYR 63 2.894 -2.775 4.970 519 H LEU 64 HN LEU 64 -5.322 -2.227 1.898 520 HA LEU 64 HA LEU 64 -6.213 -0.178 0.213 521 1HB LEU 64 HB2 LEU 64 -7.031 -2.930 0.848 522 2HB LEU 64 HB1 LEU 64 -8.324 -1.909 0.248 523 HG LEU 64 HG LEU 64 -5.734 -2.028 -1.246 524 1HD1 LEU 64 HD11 LEU 64 -6.319 -4.357 -0.877 525 2HD1 LEU 64 HD12 LEU 64 -6.600 -3.905 -2.560 526 3HD1 LEU 64 HD13 LEU 64 -7.960 -4.051 -1.447 527 1HD2 LEU 64 HD21 LEU 64 -7.229 -1.614 -3.149 528 2HD2 LEU 64 HD22 LEU 64 -7.382 -0.373 -1.905 529 3HD2 LEU 64 HD23 LEU 64 -8.612 -1.629 -2.055 530 H ASP 65 HN ASP 65 -7.565 -1.435 3.236 531 HA ASP 65 HA ASP 65 -9.887 0.187 3.213 532 1HB ASP 65 HB2 ASP 65 -9.174 -1.940 4.666 533 2HB ASP 65 HB1 ASP 65 -8.727 -0.680 5.813 534 H ARG 66 HN ARG 66 -6.654 0.604 4.555 535 HA ARG 66 HA ARG 66 -7.225 2.971 6.012 536 1HB ARG 66 HB2 ARG 66 -5.106 1.267 5.895 537 2HB ARG 66 HB1 ARG 66 -4.478 2.637 4.989 538 1HG ARG 66 HG2 ARG 66 -5.790 3.129 7.616 539 2HG ARG 66 HG1 ARG 66 -4.154 2.468 7.580 540 1HD ARG 66 HD2 ARG 66 -3.264 4.424 6.956 541 2HD ARG 66 HD1 ARG 66 -4.525 4.714 5.758 542 HE ARG 66 HE ARG 66 -5.586 6.054 7.269 543 1HH1 ARG 66 HH11 ARG 66 -3.331 4.019 8.989 544 2HH1 ARG 66 HH12 ARG 66 -3.582 4.813 10.508 545 1HH2 ARG 66 HH21 ARG 66 -5.915 7.099 9.266 546 2HH2 ARG 66 HH22 ARG 66 -5.048 6.562 10.665 547 H ALA 67 HN ALA 67 -6.158 2.340 2.720 548 HA ALA 67 HA ALA 67 -5.485 4.995 2.037 549 1HB ALA 67 HB1 ALA 67 -6.551 3.108 -0.008 550 2HB ALA 67 HB2 ALA 67 -5.034 2.730 0.807 551 3HB ALA 67 HB3 ALA 67 -5.194 4.229 -0.108 552 H GLU 68 HN GLU 68 -8.482 3.132 1.641 553 HA GLU 68 HA GLU 68 -9.955 5.088 0.283 554 1HB GLU 68 HB2 GLU 68 -10.610 2.673 1.889 555 2HB GLU 68 HB1 GLU 68 -11.910 3.817 1.575 556 1HG GLU 68 HG2 GLU 68 -11.110 3.635 -0.892 557 2HG GLU 68 HG1 GLU 68 -10.370 2.131 -0.339 558 H LYS 69 HN LYS 69 -9.261 4.658 3.683 559 HA LYS 69 HA LYS 69 -11.220 6.430 4.690 560 1HB LYS 69 HB2 LYS 69 -9.933 4.708 6.011 561 2HB LYS 69 HB1 LYS 69 -8.557 5.801 5.955 562 1HG LYS 69 HG2 LYS 69 -10.750 7.310 6.865 563 2HG LYS 69 HG1 LYS 69 -10.770 5.783 7.749 564 1HD LYS 69 HD2 LYS 69 -9.431 7.234 9.030 565 2HD LYS 69 HD1 LYS 69 -8.304 6.170 8.184 566 1HE LYS 69 HE2 LYS 69 -7.455 7.846 6.936 567 2HE LYS 69 HE1 LYS 69 -9.016 8.645 6.760 568 1HZ LYS 69 HZ1 LYS 69 -8.781 9.456 9.049 569 2HZ LYS 69 HZ2 LYS 69 -7.535 10.010 8.049 570 3HZ LYS 69 HZ3 LYS 69 -7.245 8.752 9.142 571 H LEU 70 HN LEU 70 -7.893 6.870 3.624 572 HA LEU 70 HA LEU 70 -7.649 9.566 4.472 573 1HB LEU 70 HB2 LEU 70 -6.157 8.276 2.194 574 2HB LEU 70 HB1 LEU 70 -5.641 9.632 3.180 575 HG LEU 70 HG LEU 70 -6.142 7.052 4.569 576 1HD1 LEU 70 HD11 LEU 70 -3.441 7.372 3.435 577 2HD1 LEU 70 HD12 LEU 70 -4.703 6.874 2.308 578 3HD1 LEU 70 HD13 LEU 70 -4.378 5.911 3.751 579 1HD2 LEU 70 HD21 LEU 70 -4.000 9.158 4.832 580 2HD2 LEU 70 HD22 LEU 70 -4.289 7.809 5.932 581 3HD2 LEU 70 HD23 LEU 70 -5.489 9.093 5.776 582 H LYS 71 HN LYS 71 -8.664 8.050 1.450 583 HA LYS 71 HA LYS 71 -8.787 10.363 -0.130 584 1HB LYS 71 HB2 LYS 71 -8.931 8.004 -0.960 585 2HB LYS 71 HB1 LYS 71 -10.570 7.937 -0.343 586 1HG LYS 71 HG2 LYS 71 -10.860 10.084 -1.834 587 2HG LYS 71 HG1 LYS 71 -9.483 9.399 -2.687 588 1HD LYS 71 HD2 LYS 71 -11.060 7.211 -2.403 589 2HD LYS 71 HD1 LYS 71 -12.270 8.489 -2.570 590 1HE LYS 71 HE2 LYS 71 -10.070 8.721 -4.474 591 2HE LYS 71 HE1 LYS 71 -10.970 7.212 -4.631 592 1HZ LYS 71 HZ1 LYS 71 -12.010 8.800 -6.019 593 2HZ LYS 71 HZ2 LYS 71 -12.040 9.970 -4.799 594 3HZ LYS 71 HZ3 LYS 71 -13.030 8.601 -4.683 595 H ASP 72 HN ASP 72 -11.180 8.854 1.984 596 HA ASP 72 HA ASP 72 -13.280 10.660 1.331 597 1HB ASP 72 HB2 ASP 72 -13.380 8.302 2.457 598 2HB ASP 72 HB1 ASP 72 -13.150 9.207 3.951 599 H TYR 73 HN TYR 73 -10.720 10.634 3.717 600 HA TYR 73 HA TYR 73 -11.720 12.685 5.380 601 1HB TYR 73 HB2 TYR 73 -9.925 11.159 6.074 602 2HB TYR 73 HB1 TYR 73 -8.855 11.875 4.873 603 HD1 TYR 73 HD1 TYR 73 -8.061 14.206 5.161 604 HD2 TYR 73 HD2 TYR 73 -10.320 12.227 8.171 605 HE1 TYR 73 HE1 TYR 73 -7.340 15.889 6.802 606 HE2 TYR 73 HE2 TYR 73 -9.611 13.905 9.820 607 HH TYR 73 HH TYR 73 -7.081 16.071 9.263 608 H LEU 74 HN LEU 74 -9.384 12.766 2.702 609 HA LEU 74 HA LEU 74 -9.087 15.600 2.774 610 1HB LEU 74 HB2 LEU 74 -7.914 15.310 0.626 611 2HB LEU 74 HB1 LEU 74 -7.321 14.229 1.874 612 HG LEU 74 HG LEU 74 -9.095 12.584 0.731 613 1HD1 LEU 74 HD11 LEU 74 -9.380 14.671 -0.940 614 2HD1 LEU 74 HD12 LEU 74 -9.605 12.990 -1.426 615 3HD1 LEU 74 HD13 LEU 74 -8.074 13.805 -1.750 616 1HD2 LEU 74 HD21 LEU 74 -6.233 13.168 0.142 617 2HD2 LEU 74 HD22 LEU 74 -7.079 11.956 -0.821 618 3HD2 LEU 74 HD23 LEU 74 -6.960 11.767 0.929 619 H ARG 75 HN ARG 75 -11.180 13.384 1.063 620 HA ARG 75 HA ARG 75 -12.140 15.182 -0.891 621 1HB ARG 75 HB2 ARG 75 -13.000 12.566 0.213 622 2HB ARG 75 HB1 ARG 75 -14.230 13.515 -0.617 623 1HG ARG 75 HG2 ARG 75 -12.090 13.647 -2.333 624 2HG ARG 75 HG1 ARG 75 -11.990 12.006 -1.691 625 1HD ARG 75 HD2 ARG 75 -14.070 11.413 -2.522 626 2HD ARG 75 HD1 ARG 75 -14.610 13.087 -2.640 627 HE ARG 75 HE ARG 75 -13.200 11.588 -4.626 628 1HH1 ARG 75 HH11 ARG 75 -13.730 14.803 -3.372 629 2HH1 ARG 75 HH12 ARG 75 -13.340 15.585 -4.868 630 1HH2 ARG 75 HH21 ARG 75 -12.700 12.614 -6.595 631 2HH2 ARG 75 HH22 ARG 75 -12.760 14.342 -6.698 632 H SER 76 HN SER 76 -13.320 14.334 2.342 633 HA SER 76 HA SER 76 -15.640 15.958 2.241 634 1HB SER 76 HB2 SER 76 -14.890 14.033 3.911 635 2HB SER 76 HB1 SER 76 -14.300 15.402 4.851 636 HG SER 76 HG SER 76 -16.950 14.943 3.954 637 H LYS 77 HN LYS 77 -12.360 16.504 3.474 638 HA LYS 77 HA LYS 77 -12.890 19.086 4.528 639 1HB LYS 77 HB2 LYS 77 -10.950 17.594 5.134 640 2HB LYS 77 HB1 LYS 77 -10.220 18.017 3.588 641 1HG LYS 77 HG2 LYS 77 -11.050 20.316 5.204 642 2HG LYS 77 HG1 LYS 77 -9.788 19.322 5.930 643 1HD LYS 77 HD2 LYS 77 -8.254 19.920 4.387 644 2HD LYS 77 HD1 LYS 77 -9.430 19.922 3.071 645 1HE LYS 77 HE2 LYS 77 -10.320 22.054 4.323 646 2HE LYS 77 HE1 LYS 77 -8.687 22.098 4.964 647 1HZ LYS 77 HZ1 LYS 77 -7.831 22.150 2.721 648 2HZ LYS 77 HZ2 LYS 77 -8.926 23.420 2.941 649 3HZ LYS 77 HZ3 LYS 77 -9.393 22.041 2.080
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