NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
20553 | 2g0u | 6981 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 H1 MET 1 41.693 -21.396 -1.150 2 2H MET 1 H2 MET 1 42.007 -21.300 -2.758 3 3H MET 1 H3 MET 1 40.498 -21.004 -2.196 4 HA MET 1 HA MET 1 41.893 -23.597 -2.023 5 1HB MET 1 HB2 MET 1 39.091 -22.798 -1.160 6 2HB MET 1 HB3 MET 1 39.527 -24.464 -1.542 7 1HG MET 1 HG2 MET 1 39.693 -24.173 0.813 8 2HG MET 1 HG3 MET 1 41.300 -24.443 0.152 9 1HE MET 1 HE1 MET 1 42.335 -23.763 2.464 10 2HE MET 1 HE2 MET 1 41.964 -22.248 3.321 11 3HE MET 1 HE3 MET 1 40.705 -23.485 3.119 12 H SER 2 H SER 2 38.767 -22.479 -3.499 13 HA SER 2 HA SER 2 38.896 -24.376 -5.577 14 1HB SER 2 HB2 SER 2 37.337 -21.767 -5.556 15 2HB SER 2 HB3 SER 2 36.962 -23.233 -6.482 16 HG SER 2 HG SER 2 35.718 -23.100 -4.558 17 H ASN 3 H ASN 3 40.575 -21.376 -5.470 18 HA ASN 3 HA ASN 3 40.704 -20.617 -8.190 19 1HB ASN 3 HB2 ASN 3 42.752 -19.407 -7.475 20 2HB ASN 3 HB3 ASN 3 41.420 -19.179 -6.352 21 1HD2 ASN 3 HD22 ASN 3 44.649 -20.640 -6.749 22 2HD2 ASN 3 HD21 ASN 3 44.827 -20.971 -5.036 23 HA PRO 4 HA PRO 4 43.527 -23.496 -10.207 24 1HB PRO 4 HB2 PRO 4 44.904 -20.983 -11.173 25 2HB PRO 4 HB3 PRO 4 44.432 -22.433 -12.110 26 1HG PRO 4 HG2 PRO 4 42.940 -20.175 -12.236 27 2HG PRO 4 HG3 PRO 4 42.141 -21.777 -12.115 28 1HD PRO 4 HD2 PRO 4 42.619 -19.750 -9.921 29 2HD PRO 4 HD3 PRO 4 41.171 -20.741 -10.270 30 HA PRO 5 HA PRO 5 47.154 -23.522 -7.529 31 1HB PRO 5 HB2 PRO 5 48.927 -25.068 -8.951 32 2HB PRO 5 HB3 PRO 5 47.487 -25.728 -8.112 33 1HG PRO 5 HG2 PRO 5 47.778 -25.006 -11.042 34 2HG PRO 5 HG3 PRO 5 47.077 -26.496 -10.331 35 1HD PRO 5 HD2 PRO 5 45.526 -24.419 -11.169 36 2HD PRO 5 HD3 PRO 5 45.093 -25.377 -9.722 37 H THR 6 H THR 6 49.255 -22.652 -7.304 38 HA THR 6 HA THR 6 50.488 -21.153 -9.559 39 HB THR 6 HB THR 6 50.825 -19.192 -8.233 40 HG1 THR 6 HG1 THR 6 49.721 -18.915 -6.281 41 1HG2 THR 6 HG21 THR 6 48.611 -18.213 -8.278 42 2HG2 THR 6 HG22 THR 6 48.813 -19.273 -9.683 43 3HG2 THR 6 HG23 THR 6 47.847 -19.815 -8.291 44 HA PRO 7 HA PRO 7 54.368 -22.549 -8.247 45 1HB PRO 7 HB2 PRO 7 55.273 -19.665 -8.279 46 2HB PRO 7 HB3 PRO 7 56.032 -21.106 -9.030 47 1HG PRO 7 HG2 PRO 7 54.578 -19.391 -10.548 48 2HG PRO 7 HG3 PRO 7 54.413 -21.165 -10.771 49 1HD PRO 7 HD2 PRO 7 52.613 -19.277 -9.241 50 2HD PRO 7 HD3 PRO 7 52.174 -20.567 -10.354 51 H LEU 8 H LEU 8 55.482 -23.012 -6.426 52 HA LEU 8 HA LEU 8 55.276 -21.308 -3.997 53 1HB LEU 8 HB2 LEU 8 53.375 -23.112 -4.401 54 2HB LEU 8 HB3 LEU 8 54.613 -24.270 -3.947 55 HG LEU 8 HG LEU 8 54.817 -23.045 -1.718 56 1HD1 LEU 8 HD11 LEU 8 52.334 -21.583 -2.729 57 2HD1 LEU 8 HD12 LEU 8 52.968 -21.539 -1.069 58 3HD1 LEU 8 HD13 LEU 8 53.901 -20.828 -2.388 59 1HD2 LEU 8 HD21 LEU 8 53.436 -25.064 -1.968 60 2HD2 LEU 8 HD22 LEU 8 52.689 -23.924 -0.839 61 3HD2 LEU 8 HD23 LEU 8 52.055 -24.074 -2.492 62 H LEU 9 H LEU 9 57.466 -22.395 -5.915 63 HA LEU 9 HA LEU 9 58.992 -24.380 -4.609 64 1HB LEU 9 HB2 LEU 9 58.994 -23.768 -7.025 65 2HB LEU 9 HB3 LEU 9 59.832 -22.267 -6.638 66 HG LEU 9 HG LEU 9 61.826 -23.538 -5.922 67 1HD1 LEU 9 HD11 LEU 9 60.823 -25.620 -5.083 68 2HD1 LEU 9 HD12 LEU 9 60.200 -26.003 -6.707 69 3HD1 LEU 9 HD13 LEU 9 61.949 -25.990 -6.390 70 1HD2 LEU 9 HD21 LEU 9 60.754 -24.428 -8.630 71 2HD2 LEU 9 HD22 LEU 9 61.564 -22.882 -8.283 72 3HD2 LEU 9 HD23 LEU 9 62.460 -24.402 -8.128 73 H ALA 10 H ALA 10 58.901 -20.984 -3.927 74 HA ALA 10 HA ALA 10 61.172 -21.200 -2.010 75 1HB ALA 10 HB1 ALA 10 60.822 -19.017 -4.117 76 2HB ALA 10 HB2 ALA 10 62.123 -19.117 -2.908 77 3HB ALA 10 HB3 ALA 10 62.013 -20.336 -4.189 78 H ASP 11 H ASP 11 58.245 -21.147 -1.562 79 HA ASP 11 HA ASP 11 57.235 -18.588 -0.969 80 1HB ASP 11 HB2 ASP 11 55.425 -19.666 0.013 81 2HB ASP 11 HB3 ASP 11 55.989 -20.788 -1.217 82 H TYR 12 H TYR 12 59.183 -20.685 1.111 83 HA TYR 12 HA TYR 12 59.998 -18.413 2.733 84 1HB TYR 12 HB2 TYR 12 57.943 -19.105 3.939 85 2HB TYR 12 HB3 TYR 12 58.534 -20.757 4.030 86 HD1 TYR 12 HD1 TYR 12 59.094 -17.266 5.211 87 HD2 TYR 12 HD2 TYR 12 60.122 -21.426 5.729 88 HE1 TYR 12 HE1 TYR 12 60.229 -16.724 7.370 89 HE2 TYR 12 HE2 TYR 12 61.284 -20.876 7.858 90 HH TYR 12 HH TYR 12 61.846 -19.228 9.353 91 H GLU 13 H GLU 13 62.059 -18.712 3.425 92 HA GLU 13 HA GLU 13 63.153 -21.277 4.130 93 1HB GLU 13 HB2 GLU 13 63.394 -21.419 1.636 94 2HB GLU 13 HB3 GLU 13 64.385 -19.962 1.670 95 1HG GLU 13 HG2 GLU 13 66.081 -21.124 3.036 96 2HG GLU 13 HG3 GLU 13 65.035 -22.540 3.171 97 H TRP 14 H TRP 14 63.968 -17.931 3.228 98 HA TRP 14 HA TRP 14 65.920 -17.790 5.498 99 1HB TRP 14 HB2 TRP 14 67.258 -16.350 4.105 100 2HB TRP 14 HB3 TRP 14 66.953 -17.871 3.290 101 HD1 TRP 14 HD1 TRP 14 65.753 -14.200 3.220 102 HE1 TRP 14 HE1 TRP 14 64.946 -13.601 0.859 103 HE3 TRP 14 HE3 TRP 14 66.312 -18.780 0.980 104 HZ2 TRP 14 HZ2 TRP 14 64.550 -14.940 -1.665 105 HZ3 TRP 14 HZ3 TRP 14 65.702 -19.087 -1.407 106 HH2 TRP 14 HH2 TRP 14 64.819 -17.182 -2.738 107 H SER 15 H SER 15 62.971 -16.375 4.459 108 HA SER 15 HA SER 15 63.315 -13.671 5.005 109 1HB SER 15 HB2 SER 15 60.794 -15.267 5.558 110 2HB SER 15 HB3 SER 15 60.917 -13.531 5.214 111 HG SER 15 HG SER 15 60.366 -14.660 3.324 112 H GLY 16 H GLY 16 63.097 -16.217 7.397 113 1HA GLY 16 HA2 GLY 16 62.458 -14.885 9.784 114 2HA GLY 16 HA3 GLY 16 63.645 -16.184 9.607 115 H TYR 17 H TYR 17 65.451 -14.741 7.900 116 HA TYR 17 HA TYR 17 67.241 -13.538 9.705 117 1HB TYR 17 HB2 TYR 17 67.729 -14.548 7.468 118 2HB TYR 17 HB3 TYR 17 67.017 -13.135 6.699 119 HD1 TYR 17 HD1 TYR 17 69.804 -14.309 8.890 120 HD2 TYR 17 HD2 TYR 17 68.319 -11.136 6.366 121 HE1 TYR 17 HE1 TYR 17 72.044 -13.222 8.938 122 HE2 TYR 17 HE2 TYR 17 70.562 -10.048 6.421 123 HH TYR 17 HH TYR 17 73.320 -11.458 8.229 124 H LEU 18 H LEU 18 64.586 -12.025 7.969 125 HA LEU 18 HA LEU 18 65.298 -9.404 9.230 126 1HB LEU 18 HB2 LEU 18 64.373 -8.232 7.324 127 2HB LEU 18 HB3 LEU 18 65.743 -9.241 6.921 128 HG LEU 18 HG LEU 18 64.088 -10.969 5.989 129 1HD1 LEU 18 HD11 LEU 18 62.186 -8.588 6.225 130 2HD1 LEU 18 HD12 LEU 18 61.922 -9.993 5.170 131 3HD1 LEU 18 HD13 LEU 18 61.945 -10.211 6.909 132 1HD2 LEU 18 HD21 LEU 18 63.866 -9.738 3.875 133 2HD2 LEU 18 HD22 LEU 18 64.210 -8.206 4.713 134 3HD2 LEU 18 HD23 LEU 18 65.457 -9.469 4.595 135 H THR 19 H THR 19 62.763 -11.777 8.812 136 HA THR 19 HA THR 19 60.642 -10.170 9.954 137 HB THR 19 HB THR 19 61.025 -13.184 10.118 138 HG1 THR 19 HG1 THR 19 60.982 -12.493 7.990 139 1HG2 THR 19 HG21 THR 19 59.259 -12.447 11.652 140 2HG2 THR 19 HG22 THR 19 58.540 -11.432 10.379 141 3HG2 THR 19 HG23 THR 19 58.528 -13.205 10.232 142 H GLY 20 H GLY 20 63.272 -12.084 11.334 143 1HA GLY 20 HA2 GLY 20 62.660 -12.193 14.048 144 2HA GLY 20 HA3 GLY 20 64.283 -12.073 13.353 145 H ILE 21 H ILE 21 63.836 -9.432 12.236 146 HA ILE 21 HA ILE 21 63.926 -7.763 14.705 147 HB ILE 21 HB ILE 21 66.025 -7.881 13.458 148 1HG1 ILE 21 HG12 ILE 21 66.513 -5.487 13.218 149 2HG1 ILE 21 HG13 ILE 21 64.796 -5.096 13.251 150 1HG2 ILE 21 HG21 ILE 21 64.579 -6.564 11.126 151 2HG2 ILE 21 HG22 ILE 21 66.322 -6.845 11.267 152 3HG2 ILE 21 HG23 ILE 21 65.232 -8.222 11.178 153 1HD1 ILE 21 HD11 ILE 21 66.329 -6.418 15.538 154 2HD1 ILE 21 HD12 ILE 21 65.961 -4.687 15.417 155 3HD1 ILE 21 HD13 ILE 21 64.641 -5.850 15.593 156 H GLY 22 H GLY 22 62.460 -7.906 11.468 157 1HA GLY 22 HA2 GLY 22 61.080 -5.464 11.423 158 2HA GLY 22 HA3 GLY 22 60.535 -6.964 10.655 159 H ARG 23 H ARG 23 60.062 -8.542 12.931 160 HA ARG 23 HA ARG 23 57.469 -7.846 13.799 161 1HB ARG 23 HB2 ARG 23 57.653 -9.688 15.337 162 2HB ARG 23 HB3 ARG 23 58.449 -10.113 13.823 163 1HG ARG 23 HG2 ARG 23 60.668 -9.464 14.925 164 2HG ARG 23 HG3 ARG 23 59.788 -9.307 16.450 165 1HD ARG 23 HD2 ARG 23 59.129 -11.656 16.365 166 2HD ARG 23 HD3 ARG 23 59.869 -11.836 14.758 167 HE ARG 23 HE ARG 23 61.949 -10.892 16.281 168 1HH1 ARG 23 HH21 ARG 23 59.965 -13.779 16.528 169 2HH1 ARG 23 HH22 ARG 23 61.261 -14.695 17.248 170 1HH2 ARG 23 HH11 ARG 23 63.507 -12.085 17.208 171 2HH2 ARG 23 HH12 ARG 23 63.225 -13.752 17.626 172 H ALA 24 H ALA 24 60.495 -6.683 15.154 173 HA ALA 24 HA ALA 24 59.228 -5.922 17.671 174 1HB ALA 24 HB1 ALA 24 61.478 -5.108 18.267 175 2HB ALA 24 HB2 ALA 24 61.605 -6.719 17.535 176 3HB ALA 24 HB3 ALA 24 62.015 -5.273 16.582 177 H PHE 25 H PHE 25 59.266 -4.468 14.631 178 HA PHE 25 HA PHE 25 58.530 -1.830 15.821 179 1HB PHE 25 HB2 PHE 25 60.362 -2.019 14.030 180 2HB PHE 25 HB3 PHE 25 59.089 -2.453 12.901 181 HD1 PHE 25 HD1 PHE 25 58.036 -0.681 11.701 182 HD2 PHE 25 HD2 PHE 25 60.031 0.186 15.426 183 HE1 PHE 25 HE1 PHE 25 57.666 1.749 11.336 184 HE2 PHE 25 HE2 PHE 25 59.651 2.615 15.063 185 HZ PHE 25 HZ PHE 25 58.470 3.400 13.017 186 H ASP 26 H ASP 26 57.059 -4.456 15.691 187 HA ASP 26 HA ASP 26 54.466 -3.657 14.452 188 1HB ASP 26 HB2 ASP 26 56.148 -5.116 13.043 189 2HB ASP 26 HB3 ASP 26 55.761 -6.390 14.187 190 H ASP 27 H ASP 27 55.624 -4.010 17.311 191 HA ASP 27 HA ASP 27 55.004 -6.405 18.491 192 1HB ASP 27 HB2 ASP 27 55.288 -5.340 20.581 193 2HB ASP 27 HB3 ASP 27 56.388 -4.594 19.431 194 H GLY 28 H GLY 28 52.566 -3.966 17.789 195 1HA GLY 28 HA2 GLY 28 50.519 -5.220 19.504 196 2HA GLY 28 HA3 GLY 28 50.284 -3.879 18.372 197 H VAL 29 H VAL 29 51.803 -6.074 16.517 198 HA VAL 29 HA VAL 29 49.469 -7.859 15.991 199 HB VAL 29 HB VAL 29 51.232 -6.791 13.764 200 1HG1 VAL 29 HG11 VAL 29 50.116 -8.808 13.100 201 2HG1 VAL 29 HG12 VAL 29 48.644 -8.386 13.981 202 3HG1 VAL 29 HG13 VAL 29 49.067 -7.533 12.478 203 1HG2 VAL 29 HG21 VAL 29 49.368 -5.323 13.102 204 2HG2 VAL 29 HG22 VAL 29 48.531 -5.705 14.627 205 3HG2 VAL 29 HG23 VAL 29 50.091 -4.844 14.635 206 H LYS 30 H LYS 30 52.868 -7.580 16.483 207 HA LYS 30 HA LYS 30 54.014 -9.833 15.526 208 1HB LYS 30 HB2 LYS 30 55.164 -8.223 16.893 209 2HB LYS 30 HB3 LYS 30 54.201 -8.648 18.315 210 1HG LYS 30 HG2 LYS 30 55.258 -10.834 18.461 211 2HG LYS 30 HG3 LYS 30 56.141 -10.559 16.947 212 1HD LYS 30 HD2 LYS 30 57.352 -8.676 17.963 213 2HD LYS 30 HD3 LYS 30 56.440 -8.838 19.462 214 1HE LYS 30 HE2 LYS 30 58.238 -11.021 18.308 215 2HE LYS 30 HE3 LYS 30 58.790 -9.802 19.460 216 1HZ LYS 30 HZ1 LYS 30 57.139 -10.623 21.048 217 2HZ LYS 30 HZ2 LYS 30 56.635 -11.776 20.002 218 3HZ LYS 30 HZ3 LYS 30 58.148 -11.823 20.610 219 H ASP 31 H ASP 31 51.679 -9.791 18.131 220 HA ASP 31 HA ASP 31 51.599 -12.457 19.005 221 1HB ASP 31 HB2 ASP 31 50.391 -10.455 19.943 222 2HB ASP 31 HB3 ASP 31 49.377 -10.410 18.501 223 H LEU 32 H LEU 32 49.738 -11.095 16.285 224 HA LEU 32 HA LEU 32 48.643 -13.721 15.549 225 1HB LEU 32 HB2 LEU 32 47.726 -11.161 15.431 226 2HB LEU 32 HB3 LEU 32 48.425 -11.250 13.840 227 HG LEU 32 HG LEU 32 46.297 -13.128 15.012 228 1HD1 LEU 32 HD11 LEU 32 46.122 -10.872 12.977 229 2HD1 LEU 32 HD12 LEU 32 44.801 -12.001 13.356 230 3HD1 LEU 32 HD13 LEU 32 45.416 -10.909 14.603 231 1HD2 LEU 32 HD21 LEU 32 47.474 -14.422 13.383 232 2HD2 LEU 32 HD22 LEU 32 46.011 -13.851 12.583 233 3HD2 LEU 32 HD23 LEU 32 47.569 -13.052 12.262 234 H ASN 33 H ASN 33 51.194 -11.518 14.547 235 HA ASN 33 HA ASN 33 51.916 -12.820 12.080 236 1HB ASN 33 HB2 ASN 33 52.677 -10.527 12.836 237 2HB ASN 33 HB3 ASN 33 53.734 -11.321 14.004 238 1HD2 ASN 33 HD22 ASN 33 55.817 -11.758 13.293 239 2HD2 ASN 33 HD21 ASN 33 56.251 -11.828 11.592 240 H LYS 34 H LYS 34 52.929 -13.413 15.439 241 HA LYS 34 HA LYS 34 54.711 -15.616 14.920 242 1HB LYS 34 HB2 LYS 34 54.642 -14.335 17.037 243 2HB LYS 34 HB3 LYS 34 53.030 -14.974 17.385 244 1HG LYS 34 HG2 LYS 34 53.957 -17.271 17.499 245 2HG LYS 34 HG3 LYS 34 55.564 -16.645 17.078 246 1HD LYS 34 HD2 LYS 34 55.581 -15.296 19.172 247 2HD LYS 34 HD3 LYS 34 53.944 -15.849 19.539 248 1HE LYS 34 HE2 LYS 34 55.409 -17.151 20.884 249 2HE LYS 34 HE3 LYS 34 54.777 -18.211 19.624 250 1HZ LYS 34 HZ1 LYS 34 57.176 -18.488 19.930 251 2HZ LYS 34 HZ2 LYS 34 56.892 -17.927 18.428 252 3HZ LYS 34 HZ3 LYS 34 57.461 -16.921 19.588 253 H GLN 35 H GLN 35 51.223 -15.526 15.599 254 HA GLN 35 HA GLN 35 50.760 -18.363 15.443 255 1HB GLN 35 HB2 GLN 35 48.951 -15.979 14.885 256 2HB GLN 35 HB3 GLN 35 48.386 -17.648 14.811 257 1HG GLN 35 HG2 GLN 35 48.810 -18.032 17.100 258 2HG GLN 35 HG3 GLN 35 49.781 -16.574 17.289 259 1HE2 GLN 35 HE22 GLN 35 48.761 -14.643 17.803 260 2HE2 GLN 35 HE21 GLN 35 47.023 -14.518 18.053 261 H LEU 36 H LEU 36 50.809 -15.887 12.901 262 HA LEU 36 HA LEU 36 50.139 -17.694 10.743 263 1HB LEU 36 HB2 LEU 36 49.749 -15.259 10.786 264 2HB LEU 36 HB3 LEU 36 51.490 -15.019 10.602 265 HG LEU 36 HG LEU 36 51.453 -16.249 8.456 266 1HD1 LEU 36 HD11 LEU 36 49.294 -16.693 7.310 267 2HD1 LEU 36 HD12 LEU 36 49.566 -17.819 8.662 268 3HD1 LEU 36 HD13 LEU 36 48.449 -16.451 8.831 269 1HD2 LEU 36 HD21 LEU 36 49.224 -14.218 8.695 270 2HD2 LEU 36 HD22 LEU 36 50.947 -13.779 8.682 271 3HD2 LEU 36 HD23 LEU 36 50.202 -14.501 7.252 272 H GLN 37 H GLN 37 53.296 -16.503 11.978 273 HA GLN 37 HA GLN 37 54.853 -17.957 10.052 274 1HB GLN 37 HB2 GLN 37 55.596 -16.024 11.491 275 2HB GLN 37 HB3 GLN 37 55.681 -17.117 12.869 276 1HG GLN 37 HG2 GLN 37 57.220 -17.493 10.250 277 2HG GLN 37 HG3 GLN 37 57.860 -16.600 11.621 278 1HE2 GLN 37 HE22 GLN 37 58.781 -19.184 10.265 279 2HE2 GLN 37 HE21 GLN 37 58.926 -20.299 11.616 280 H ASP 38 H ASP 38 53.498 -18.898 13.217 281 HA ASP 38 HA ASP 38 54.614 -21.550 13.248 282 1HB ASP 38 HB2 ASP 38 53.638 -20.486 15.236 283 2HB ASP 38 HB3 ASP 38 52.044 -20.497 14.484 284 H ALA 39 H ALA 39 51.621 -20.249 11.771 285 HA ALA 39 HA ALA 39 50.744 -22.746 10.681 286 1HB ALA 39 HB1 ALA 39 49.261 -21.575 9.344 287 2HB ALA 39 HB2 ALA 39 49.562 -20.321 10.621 288 3HB ALA 39 HB3 ALA 39 50.362 -20.217 9.069 289 H GLN 40 H GLN 40 52.898 -20.266 9.379 290 HA GLN 40 HA GLN 40 53.506 -21.539 6.900 291 1HB GLN 40 HB2 GLN 40 53.835 -19.064 7.749 292 2HB GLN 40 HB3 GLN 40 55.355 -19.647 8.412 293 1HG GLN 40 HG2 GLN 40 56.138 -20.272 6.165 294 2HG GLN 40 HG3 GLN 40 54.560 -19.870 5.478 295 1HE2 GLN 40 HE22 GLN 40 54.605 -17.857 4.424 296 2HE2 GLN 40 HE21 GLN 40 55.589 -16.512 4.979 297 H ALA 41 H ALA 41 54.874 -22.034 10.125 298 HA ALA 41 HA ALA 41 56.989 -23.818 9.113 299 1HB ALA 41 HB1 ALA 41 57.503 -24.219 11.423 300 2HB ALA 41 HB2 ALA 41 57.350 -22.478 11.123 301 3HB ALA 41 HB3 ALA 41 56.031 -23.357 11.951 302 H ASN 42 H ASN 42 53.701 -24.380 10.437 303 HA ASN 42 HA ASN 42 54.032 -27.276 10.256 304 1HB ASN 42 HB2 ASN 42 51.461 -25.564 10.215 305 2HB ASN 42 HB3 ASN 42 51.533 -27.287 10.107 306 1HD2 ASN 42 HD22 ASN 42 52.455 -24.620 12.353 307 2HD2 ASN 42 HD21 ASN 42 52.291 -25.644 13.764 308 H LEU 43 H LEU 43 53.153 -24.654 8.028 309 HA LEU 43 HA LEU 43 52.902 -26.332 5.747 310 1HB LEU 43 HB2 LEU 43 52.206 -23.755 6.247 311 2HB LEU 43 HB3 LEU 43 53.797 -23.448 5.577 312 HG LEU 43 HG LEU 43 53.209 -24.772 3.589 313 1HD1 LEU 43 HD11 LEU 43 51.389 -26.141 4.384 314 2HD1 LEU 43 HD12 LEU 43 50.588 -24.703 5.115 315 3HD1 LEU 43 HD13 LEU 43 50.633 -24.977 3.332 316 1HD2 LEU 43 HD21 LEU 43 52.983 -22.326 3.518 317 2HD2 LEU 43 HD22 LEU 43 51.752 -23.160 2.542 318 3HD2 LEU 43 HD23 LEU 43 51.307 -22.477 4.135 319 H THR 44 H THR 44 55.740 -24.679 7.165 320 HA THR 44 HA THR 44 57.489 -25.242 5.022 321 HB THR 44 HB THR 44 58.107 -25.012 7.976 322 HG1 THR 44 HG1 THR 44 57.368 -23.151 6.782 323 1HG2 THR 44 HG21 THR 44 60.453 -24.600 7.170 324 2HG2 THR 44 HG22 THR 44 59.878 -26.282 7.140 325 3HG2 THR 44 HG23 THR 44 59.941 -25.353 5.615 326 H LYS 45 H LYS 45 56.543 -27.239 7.765 327 HA LYS 45 HA LYS 45 58.220 -29.528 7.211 328 1HB LYS 45 HB2 LYS 45 55.572 -29.172 8.641 329 2HB LYS 45 HB3 LYS 45 56.429 -30.720 8.557 330 1HG LYS 45 HG2 LYS 45 58.383 -29.707 9.683 331 2HG LYS 45 HG3 LYS 45 57.512 -28.164 9.797 332 1HD LYS 45 HD2 LYS 45 55.749 -29.231 11.158 333 2HD LYS 45 HD3 LYS 45 56.596 -30.793 11.046 334 1HE LYS 45 HE2 LYS 45 58.574 -29.815 12.150 335 2HE LYS 45 HE3 LYS 45 57.771 -28.241 12.232 336 1HZ LYS 45 HZ1 LYS 45 56.816 -30.705 13.599 337 2HZ LYS 45 HZ2 LYS 45 57.576 -29.463 14.332 338 3HZ LYS 45 HZ3 LYS 45 56.093 -29.240 13.688 339 H ASN 46 H ASN 46 55.124 -28.607 5.780 340 HA ASN 46 HA ASN 46 55.700 -30.333 3.544 341 1HB ASN 46 HB2 ASN 46 54.467 -31.723 5.284 342 2HB ASN 46 HB3 ASN 46 53.153 -30.615 5.062 343 1HD2 ASN 46 HD22 ASN 46 52.563 -30.536 2.428 344 2HD2 ASN 46 HD21 ASN 46 52.764 -32.059 1.572 345 HA PRO 47 HA PRO 47 54.621 -26.034 2.572 346 1HB PRO 47 HB2 PRO 47 55.528 -27.127 -0.063 347 2HB PRO 47 HB3 PRO 47 55.699 -25.456 0.619 348 1HG PRO 47 HG2 PRO 47 57.738 -27.254 0.852 349 2HG PRO 47 HG3 PRO 47 57.288 -26.195 2.227 350 1HD PRO 47 HD2 PRO 47 56.767 -29.112 1.880 351 2HD PRO 47 HD3 PRO 47 56.945 -28.154 3.351 352 H SER 48 H SER 48 53.174 -28.674 0.535 353 HA SER 48 HA SER 48 50.758 -27.034 0.645 354 1HB SER 48 HB2 SER 48 50.253 -27.804 -1.548 355 2HB SER 48 HB3 SER 48 51.873 -27.084 -1.482 356 HG SER 48 HG SER 48 51.855 -29.072 -2.687 357 H ASP 49 H ASP 49 51.440 -28.800 2.662 358 HA ASP 49 HA ASP 49 49.622 -31.105 2.594 359 1HB ASP 49 HB2 ASP 49 51.222 -31.257 4.215 360 2HB ASP 49 HB3 ASP 49 51.111 -29.643 4.795 361 HA PRO 50 HA PRO 50 46.345 -28.276 2.128 362 1HB PRO 50 HB2 PRO 50 44.167 -29.870 2.430 363 2HB PRO 50 HB3 PRO 50 45.268 -29.842 0.990 364 1HG PRO 50 HG2 PRO 50 45.219 -31.769 3.354 365 2HG PRO 50 HG3 PRO 50 45.385 -32.176 1.614 366 1HD PRO 50 HD2 PRO 50 47.535 -31.944 3.348 367 2HD PRO 50 HD3 PRO 50 47.650 -31.528 1.604 368 H THR 51 H THR 51 46.442 -30.055 5.192 369 HA THR 51 HA THR 51 44.477 -28.214 6.511 370 HB THR 51 HB THR 51 46.259 -30.445 7.391 371 HG1 THR 51 HG1 THR 51 44.220 -30.953 6.543 372 1HG2 THR 51 HG21 THR 51 46.478 -28.902 9.222 373 2HG2 THR 51 HG22 THR 51 44.730 -28.536 9.161 374 3HG2 THR 51 HG23 THR 51 45.299 -30.142 9.696 375 H ALA 52 H ALA 52 48.046 -28.714 6.344 376 HA ALA 52 HA ALA 52 48.732 -26.406 7.953 377 1HB ALA 52 HB1 ALA 52 50.109 -27.727 5.531 378 2HB ALA 52 HB2 ALA 52 50.884 -26.658 6.717 379 3HB ALA 52 HB3 ALA 52 50.311 -28.278 7.191 380 H LEU 53 H LEU 53 48.036 -26.696 4.509 381 HA LEU 53 HA LEU 53 48.470 -23.899 4.086 382 1HB LEU 53 HB2 LEU 53 48.808 -25.887 2.584 383 2HB LEU 53 HB3 LEU 53 47.081 -25.933 2.279 384 HG LEU 53 HG LEU 53 47.215 -24.162 0.793 385 1HD1 LEU 53 HD11 LEU 53 49.573 -23.107 2.358 386 2HD1 LEU 53 HD12 LEU 53 48.997 -22.414 0.827 387 3HD1 LEU 53 HD13 LEU 53 47.943 -22.383 2.267 388 1HD2 LEU 53 HD21 LEU 53 48.851 -25.977 0.199 389 2HD2 LEU 53 HD22 LEU 53 49.297 -24.390 -0.483 390 3HD2 LEU 53 HD23 LEU 53 50.151 -24.976 0.966 391 H ALA 54 H ALA 54 45.516 -25.871 4.590 392 HA ALA 54 HA ALA 54 43.632 -23.755 4.378 393 1HB ALA 54 HB1 ALA 54 42.269 -25.261 5.924 394 2HB ALA 54 HB2 ALA 54 42.924 -26.110 4.516 395 3HB ALA 54 HB3 ALA 54 43.702 -26.300 6.104 396 H ASN 55 H ASN 55 45.623 -24.886 7.089 397 HA ASN 55 HA ASN 55 44.622 -23.161 9.076 398 1HB ASN 55 HB2 ASN 55 45.905 -25.169 9.602 399 2HB ASN 55 HB3 ASN 55 47.278 -24.596 8.680 400 1HD2 ASN 55 HD22 ASN 55 48.905 -23.986 9.846 401 2HD2 ASN 55 HD21 ASN 55 48.769 -23.315 11.482 402 H TYR 56 H TYR 56 47.632 -22.919 7.166 403 HA TYR 56 HA TYR 56 48.242 -20.199 7.805 404 1HB TYR 56 HB2 TYR 56 49.830 -21.662 6.769 405 2HB TYR 56 HB3 TYR 56 48.805 -21.926 5.367 406 HD1 TYR 56 HD1 TYR 56 50.949 -19.423 7.164 407 HD2 TYR 56 HD2 TYR 56 49.195 -20.652 3.419 408 HE1 TYR 56 HE1 TYR 56 52.606 -18.052 5.938 409 HE2 TYR 56 HE2 TYR 56 50.876 -19.293 2.192 410 HH TYR 56 HH TYR 56 52.747 -17.973 2.362 411 H GLN 57 H GLN 57 46.087 -21.319 5.160 412 HA GLN 57 HA GLN 57 45.609 -18.619 4.280 413 1HB GLN 57 HB2 GLN 57 44.097 -21.211 3.884 414 2HB GLN 57 HB3 GLN 57 43.477 -19.684 3.261 415 1HG GLN 57 HG2 GLN 57 46.258 -20.745 2.599 416 2HG GLN 57 HG3 GLN 57 44.836 -21.018 1.600 417 1HE2 GLN 57 HE22 GLN 57 47.481 -18.909 2.072 418 2HE2 GLN 57 HE21 GLN 57 46.836 -17.559 1.155 419 H MET 58 H MET 58 43.914 -20.620 6.727 420 HA MET 58 HA MET 58 41.803 -18.746 7.267 421 1HB MET 58 HB2 MET 58 41.668 -21.101 7.849 422 2HB MET 58 HB3 MET 58 43.073 -20.956 8.915 423 1HG MET 58 HG2 MET 58 41.733 -19.365 10.347 424 2HG MET 58 HG3 MET 58 40.353 -19.663 9.289 425 1HE MET 58 HE1 MET 58 42.772 -20.977 12.007 426 2HE MET 58 HE2 MET 58 42.244 -22.648 12.297 427 3HE MET 58 HE3 MET 58 43.109 -22.241 10.803 428 H ILE 59 H ILE 59 44.964 -19.296 8.929 429 HA ILE 59 HA ILE 59 44.593 -17.163 10.812 430 HB ILE 59 HB ILE 59 47.025 -18.684 9.805 431 1HG1 ILE 59 HG12 ILE 59 45.478 -18.923 12.448 432 2HG1 ILE 59 HG13 ILE 59 45.260 -20.021 11.086 433 1HG2 ILE 59 HG21 ILE 59 46.841 -16.978 12.315 434 2HG2 ILE 59 HG22 ILE 59 48.261 -17.828 11.635 435 3HG2 ILE 59 HG23 ILE 59 47.601 -16.425 10.819 436 1HD1 ILE 59 HD11 ILE 59 47.881 -19.659 12.586 437 2HD1 ILE 59 HD12 ILE 59 46.755 -21.010 12.720 438 3HD1 ILE 59 HD13 ILE 59 47.579 -20.697 11.170 439 H MET 60 H MET 60 46.041 -17.365 7.542 440 HA MET 60 HA MET 60 46.986 -14.700 7.508 441 1HB MET 60 HB2 MET 60 47.582 -16.565 5.926 442 2HB MET 60 HB3 MET 60 46.090 -16.209 5.044 443 1HG MET 60 HG2 MET 60 46.943 -13.895 4.704 444 2HG MET 60 HG3 MET 60 48.310 -14.271 5.788 445 1HE MET 60 HE1 MET 60 50.203 -15.401 5.423 446 2HE MET 60 HE2 MET 60 49.561 -17.009 4.995 447 3HE MET 60 HE3 MET 60 50.790 -16.226 3.969 448 H SER 61 H SER 61 43.817 -16.042 6.655 449 HA SER 61 HA SER 61 42.587 -13.641 5.684 450 1HB SER 61 HB2 SER 61 41.379 -16.045 7.130 451 2HB SER 61 HB3 SER 61 40.450 -14.730 6.388 452 HG SER 61 HG SER 61 42.249 -16.534 5.116 453 H GLU 62 H GLU 62 42.899 -14.934 9.034 454 HA GLU 62 HA GLU 62 41.663 -12.614 10.260 455 1HB GLU 62 HB2 GLU 62 43.479 -14.803 11.378 456 2HB GLU 62 HB3 GLU 62 42.751 -13.523 12.356 457 1HG GLU 62 HG2 GLU 62 40.482 -14.251 11.567 458 2HG GLU 62 HG3 GLU 62 41.233 -15.610 10.733 459 H TYR 63 H TYR 63 45.059 -13.465 9.667 460 HA TYR 63 HA TYR 63 46.339 -11.270 10.887 461 1HB TYR 63 HB2 TYR 63 47.543 -13.211 10.062 462 2HB TYR 63 HB3 TYR 63 47.044 -12.907 8.421 463 HD1 TYR 63 HD1 TYR 63 48.217 -11.576 6.940 464 HD2 TYR 63 HD2 TYR 63 49.242 -11.590 11.134 465 HE1 TYR 63 HE1 TYR 63 50.410 -10.572 6.399 466 HE2 TYR 63 HE2 TYR 63 51.438 -10.546 10.591 467 HH TYR 63 HH TYR 63 52.857 -9.850 8.930 468 H ASN 64 H ASN 64 45.188 -11.565 7.530 469 HA ASN 64 HA ASN 64 46.109 -8.955 6.834 470 1HB ASN 64 HB2 ASN 64 45.826 -10.776 5.189 471 2HB ASN 64 HB3 ASN 64 44.081 -10.784 5.458 472 1HD2 ASN 64 HD22 ASN 64 46.779 -8.698 4.291 473 2HD2 ASN 64 HD21 ASN 64 45.747 -7.758 3.225 474 H LEU 65 H LEU 65 42.914 -10.196 7.820 475 HA LEU 65 HA LEU 65 41.446 -7.758 7.515 476 1HB LEU 65 HB2 LEU 65 40.359 -9.942 7.684 477 2HB LEU 65 HB3 LEU 65 40.997 -10.169 9.313 478 HG LEU 65 HG LEU 65 39.613 -8.303 10.151 479 1HD1 LEU 65 HD11 LEU 65 38.524 -8.157 7.304 480 2HD1 LEU 65 HD12 LEU 65 37.828 -7.339 8.722 481 3HD1 LEU 65 HD13 LEU 65 39.434 -6.884 8.152 482 1HD2 LEU 65 HD21 LEU 65 38.016 -10.334 8.542 483 2HD2 LEU 65 HD22 LEU 65 38.721 -10.599 10.153 484 3HD2 LEU 65 HD23 LEU 65 37.437 -9.397 9.940 485 H TYR 66 H TYR 66 43.098 -9.134 10.394 486 HA TYR 66 HA TYR 66 42.417 -6.919 12.087 487 1HB TYR 66 HB2 TYR 66 43.076 -9.043 13.047 488 2HB TYR 66 HB3 TYR 66 44.662 -8.939 12.282 489 HD1 TYR 66 HD1 TYR 66 46.318 -8.629 13.892 490 HD2 TYR 66 HD2 TYR 66 42.599 -6.482 14.321 491 HE1 TYR 66 HE1 TYR 66 47.242 -7.407 15.853 492 HE2 TYR 66 HE2 TYR 66 43.565 -5.201 16.224 493 HH TYR 66 HH TYR 66 46.912 -5.767 17.390 494 H ARG 67 H ARG 67 45.262 -7.468 9.996 495 HA ARG 67 HA ARG 67 46.572 -4.981 10.677 496 1HB ARG 67 HB2 ARG 67 46.754 -6.740 8.207 497 2HB ARG 67 HB3 ARG 67 47.706 -5.259 8.433 498 1HG ARG 67 HG2 ARG 67 48.559 -6.186 10.616 499 2HG ARG 67 HG3 ARG 67 47.740 -7.697 10.262 500 1HD ARG 67 HD2 ARG 67 49.791 -8.235 9.433 501 2HD ARG 67 HD3 ARG 67 49.117 -7.534 7.970 502 HE ARG 67 HE ARG 67 50.478 -5.603 8.259 503 1HH1 ARG 67 HH21 ARG 67 51.032 -7.816 10.928 504 2HH1 ARG 67 HH22 ARG 67 52.368 -6.864 11.553 505 1HH2 ARG 67 HH11 ARG 67 52.145 -4.406 9.205 506 2HH2 ARG 67 HH12 ARG 67 52.819 -4.970 10.728 507 H ASN 68 H ASN 68 44.121 -5.672 8.138 508 HA ASN 68 HA ASN 68 43.950 -2.945 7.238 509 1HB ASN 68 HB2 ASN 68 43.051 -4.908 5.990 510 2HB ASN 68 HB3 ASN 68 41.828 -5.133 7.242 511 1HD2 ASN 68 HD22 ASN 68 43.015 -2.755 4.811 512 2HD2 ASN 68 HD21 ASN 68 41.444 -1.995 4.610 513 H ALA 69 H ALA 69 42.244 -4.560 9.909 514 HA ALA 69 HA ALA 69 40.737 -2.227 10.548 515 1HB ALA 69 HB1 ALA 69 40.226 -3.413 12.659 516 2HB ALA 69 HB2 ALA 69 40.133 -4.529 11.284 517 3HB ALA 69 HB3 ALA 69 41.550 -4.557 12.357 518 H GLN 70 H GLN 70 43.944 -3.326 11.679 519 HA GLN 70 HA GLN 70 44.410 -1.210 13.538 520 1HB GLN 70 HB2 GLN 70 45.680 -3.390 13.305 521 2HB GLN 70 HB3 GLN 70 46.448 -2.736 11.860 522 1HG GLN 70 HG2 GLN 70 47.925 -2.510 13.774 523 2HG GLN 70 HG3 GLN 70 47.448 -0.908 13.214 524 1HE2 GLN 70 HE22 GLN 70 46.395 -3.432 15.650 525 2HE2 GLN 70 HE21 GLN 70 45.980 -2.233 16.857 526 H SER 71 H SER 71 45.210 -1.429 9.999 527 HA SER 71 HA SER 71 46.216 1.225 9.731 528 1HB SER 71 HB2 SER 71 44.722 -0.518 7.737 529 2HB SER 71 HB3 SER 71 45.532 1.011 7.340 530 HG SER 71 HG SER 71 46.888 -0.812 6.970 531 H SER 72 H SER 72 42.825 0.042 9.612 532 HA SER 72 HA SER 72 41.613 2.581 9.039 533 1HB SER 72 HB2 SER 72 40.458 0.228 10.586 534 2HB SER 72 HB3 SER 72 39.552 1.600 9.938 535 HG SER 72 HG SER 72 41.027 -0.351 8.467 536 H ALA 73 H ALA 73 42.513 1.061 12.175 537 HA ALA 73 HA ALA 73 41.517 3.168 13.815 538 1HB ALA 73 HB1 ALA 73 42.916 2.198 15.560 539 2HB ALA 73 HB2 ALA 73 42.127 0.902 14.645 540 3HB ALA 73 HB3 ALA 73 43.839 1.272 14.365 541 H VAL 74 H VAL 74 44.780 2.693 12.385 542 HA VAL 74 HA VAL 74 45.984 5.062 13.393 543 HB VAL 74 HB VAL 74 46.488 3.226 11.036 544 1HG1 VAL 74 HG11 VAL 74 47.365 5.335 10.296 545 2HG1 VAL 74 HG12 VAL 74 48.161 5.608 11.871 546 3HG1 VAL 74 HG13 VAL 74 48.701 4.292 10.794 547 1HG2 VAL 74 HG21 VAL 74 46.943 2.386 13.354 548 2HG2 VAL 74 HG22 VAL 74 48.412 2.526 12.383 549 3HG2 VAL 74 HG23 VAL 74 48.040 3.754 13.612 550 H LYS 75 H LYS 75 44.160 4.517 10.347 551 HA LYS 75 HA LYS 75 44.286 7.188 9.346 552 1HB LYS 75 HB2 LYS 75 43.632 5.193 8.043 553 2HB LYS 75 HB3 LYS 75 42.176 5.013 9.012 554 1HG LYS 75 HG2 LYS 75 41.671 5.942 6.829 555 2HG LYS 75 HG3 LYS 75 41.250 7.082 8.100 556 1HD LYS 75 HD2 LYS 75 43.363 8.366 7.619 557 2HD LYS 75 HD3 LYS 75 43.779 7.169 6.387 558 1HE LYS 75 HE2 LYS 75 42.863 9.067 5.260 559 2HE LYS 75 HE3 LYS 75 41.682 7.760 5.145 560 1HZ LYS 75 HZ1 LYS 75 40.438 8.822 6.958 561 2HZ LYS 75 HZ2 LYS 75 41.558 10.004 7.099 562 3HZ LYS 75 HZ3 LYS 75 40.651 9.892 5.746 563 H SER 76 H SER 76 42.518 5.982 12.039 564 HA SER 76 HA SER 76 40.730 8.388 12.145 565 1HB SER 76 HB2 SER 76 40.338 5.669 13.441 566 2HB SER 76 HB3 SER 76 39.189 7.017 13.398 567 HG SER 76 HG SER 76 40.039 5.300 11.326 568 H MET 77 H MET 77 43.603 7.547 13.477 569 HA MET 77 HA MET 77 43.208 7.366 16.196 570 1HB MET 77 HB2 MET 77 45.544 7.848 16.485 571 2HB MET 77 HB3 MET 77 45.274 6.848 15.067 572 1HG MET 77 HG2 MET 77 46.887 8.314 14.339 573 2HG MET 77 HG3 MET 77 45.422 9.039 13.691 574 1HE MET 77 HE1 MET 77 48.240 10.491 13.842 575 2HE MET 77 HE2 MET 77 46.769 11.255 13.196 576 3HE MET 77 HE3 MET 77 47.760 12.108 14.402 577 H LYS 78 H LYS 78 43.212 10.403 14.400 578 HA LYS 78 HA LYS 78 43.282 12.194 16.662 579 1HB LYS 78 HB2 LYS 78 42.066 12.558 13.886 580 2HB LYS 78 HB3 LYS 78 42.296 13.837 15.084 581 1HG LYS 78 HG2 LYS 78 44.774 13.383 15.048 582 2HG LYS 78 HG3 LYS 78 44.501 12.186 13.776 583 1HD LYS 78 HD2 LYS 78 45.246 14.210 12.740 584 2HD LYS 78 HD3 LYS 78 43.546 13.968 12.315 585 1HE LYS 78 HE2 LYS 78 42.880 15.606 14.072 586 2HE LYS 78 HE3 LYS 78 44.576 15.812 14.525 587 1HZ LYS 78 HZ1 LYS 78 43.837 17.568 13.021 588 2HZ LYS 78 HZ2 LYS 78 44.995 16.685 12.287 589 3HZ LYS 78 HZ3 LYS 78 43.427 16.491 11.868 590 H ASP 79 H ASP 79 40.655 10.354 15.221 591 HA ASP 79 HA ASP 79 38.557 11.714 16.804 592 1HB ASP 79 HB2 ASP 79 38.123 10.911 14.497 593 2HB ASP 79 HB3 ASP 79 38.472 9.260 14.995 594 H ILE 80 H ILE 80 40.256 8.547 16.734 595 HA ILE 80 HA ILE 80 38.963 7.336 18.954 596 HB ILE 80 HB ILE 80 41.798 6.999 17.926 597 1HG1 ILE 80 HG12 ILE 80 39.271 5.338 17.400 598 2HG1 ILE 80 HG13 ILE 80 39.913 6.523 16.278 599 1HG2 ILE 80 HG21 ILE 80 41.601 6.059 20.225 600 2HG2 ILE 80 HG22 ILE 80 40.210 5.087 19.684 601 3HG2 ILE 80 HG23 ILE 80 41.836 4.804 19.032 602 1HD1 ILE 80 HD11 ILE 80 42.069 5.187 16.206 603 2HD1 ILE 80 HD12 ILE 80 41.195 3.895 17.065 604 3HD1 ILE 80 HD13 ILE 80 40.636 4.435 15.478 605 H ASP 81 H ASP 81 41.625 9.677 18.920 606 HA ASP 81 HA ASP 81 42.324 9.575 21.648 607 1HB ASP 81 HB2 ASP 81 43.562 10.733 19.812 608 2HB ASP 81 HB3 ASP 81 42.319 11.984 19.787 609 H SER 82 H SER 82 39.354 10.697 20.334 610 HA SER 82 HA SER 82 38.559 11.995 22.923 611 1HB SER 82 HB2 SER 82 38.899 13.532 20.929 612 2HB SER 82 HB3 SER 82 37.524 12.719 20.164 613 HG SER 82 HG SER 82 36.950 14.643 21.340 614 H SER 83 H SER 83 37.764 9.689 20.457 615 HA SER 83 HA SER 83 35.245 8.844 21.826 616 1HB SER 83 HB2 SER 83 35.806 9.075 18.843 617 2HB SER 83 HB3 SER 83 34.350 8.360 19.562 618 HG SER 83 HG SER 83 34.107 10.588 18.938 619 H ILE 84 H ILE 84 37.502 7.720 22.624 620 HA ILE 84 HA ILE 84 38.755 5.681 21.328 621 HB ILE 84 HB ILE 84 39.489 6.537 23.426 622 1HG1 ILE 84 HG12 ILE 84 40.080 4.509 24.688 623 2HG1 ILE 84 HG13 ILE 84 38.915 3.561 23.767 624 1HG2 ILE 84 HG21 ILE 84 38.483 6.031 25.587 625 2HG2 ILE 84 HG22 ILE 84 37.318 6.889 24.581 626 3HG2 ILE 84 HG23 ILE 84 37.165 5.135 24.815 627 1HD1 ILE 84 HD11 ILE 84 40.227 3.888 21.717 628 2HD1 ILE 84 HD12 ILE 84 41.318 5.014 22.566 629 3HD1 ILE 84 HD13 ILE 84 41.280 3.296 23.007 630 H LEU 85 H LEU 85 38.332 3.792 20.489 631 HA LEU 85 HA LEU 85 36.312 1.950 21.549 632 1HB LEU 85 HB2 LEU 85 34.988 3.425 20.075 633 2HB LEU 85 HB3 LEU 85 36.141 3.189 18.764 634 HG LEU 85 HG LEU 85 35.523 0.788 18.631 635 1HD1 LEU 85 HD11 LEU 85 34.807 0.352 20.946 636 2HD1 LEU 85 HD12 LEU 85 33.452 1.489 20.760 637 3HD1 LEU 85 HD13 LEU 85 33.502 -0.022 19.823 638 1HD2 LEU 85 HD21 LEU 85 33.142 2.681 18.529 639 2HD2 LEU 85 HD22 LEU 85 34.355 2.456 17.249 640 3HD2 LEU 85 HD23 LEU 85 33.282 1.119 17.690 641 H GLU 86 H GLU 86 37.351 0.039 21.604 642 HA GLU 86 HA GLU 86 39.687 -0.589 20.080 643 1HB GLU 86 HB2 GLU 86 39.553 -2.758 20.993 644 2HB GLU 86 HB3 GLU 86 39.197 -1.601 22.254 645 1HG GLU 86 HG2 GLU 86 37.180 -3.374 20.801 646 2HG GLU 86 HG3 GLU 86 37.858 -3.665 22.387 647 H HIS 87 H HIS 87 40.016 -1.567 18.162 648 HA HIS 87 HA HIS 87 37.697 -1.804 16.353 649 1HB HIS 87 HB2 HIS 87 40.699 -1.626 15.976 650 2HB HIS 87 HB3 HIS 87 39.621 -2.057 14.658 651 HD1 HIS 87 HD1 HIS 87 38.971 0.836 17.234 652 HD2 HIS 87 HD2 HIS 87 39.568 0.003 13.142 653 HE1 HIS 87 HE1 HIS 87 38.575 3.010 15.996 654 H HIS 88 H HIS 88 39.252 -4.030 18.316 655 HA HIS 88 HA HIS 88 39.387 -6.371 16.677 656 1HB HIS 88 HB2 HIS 88 38.685 -6.172 19.635 657 2HB HIS 88 HB3 HIS 88 39.293 -7.591 18.787 658 HD1 HIS 88 HD1 HIS 88 41.948 -7.040 17.646 659 HD2 HIS 88 HD2 HIS 88 40.491 -4.906 20.969 660 HE1 HIS 88 HE1 HIS 88 43.983 -6.024 18.796 661 H HIS 89 H HIS 89 37.812 -7.647 15.822 662 HA HIS 89 HA HIS 89 35.109 -7.805 16.934 663 1HB HIS 89 HB2 HIS 89 33.966 -6.933 14.980 664 2HB HIS 89 HB3 HIS 89 35.028 -5.699 15.618 665 HD1 HIS 89 HD1 HIS 89 37.269 -5.146 14.091 666 HD2 HIS 89 HD2 HIS 89 34.382 -7.754 12.476 667 HE1 HIS 89 HE1 HIS 89 37.764 -5.314 11.591 668 H HIS 90 H HIS 90 33.685 -9.115 15.411 669 HA HIS 90 HA HIS 90 35.106 -11.048 13.657 670 1HB HIS 90 HB2 HIS 90 34.914 -12.183 15.821 671 2HB HIS 90 HB3 HIS 90 33.190 -11.825 15.898 672 HD1 HIS 90 HD1 HIS 90 31.591 -13.515 14.586 673 HD2 HIS 90 HD2 HIS 90 35.717 -14.006 13.898 674 HE1 HIS 90 HE1 HIS 90 31.841 -15.681 13.268 675 H HIS 91 H HIS 91 31.868 -10.007 14.877 676 HA HIS 91 HA HIS 91 30.532 -10.363 12.314 677 1HB HIS 91 HB2 HIS 91 29.364 -10.418 14.507 678 2HB HIS 91 HB3 HIS 91 29.806 -8.733 14.791 679 HD1 HIS 91 HD1 HIS 91 28.286 -6.896 13.571 680 HD2 HIS 91 HD2 HIS 91 27.494 -10.905 12.556 681 HE1 HIS 91 HE1 HIS 91 26.120 -6.877 12.227 682 H HIS 92 H HIS 92 30.127 -8.780 10.735 683 HA HIS 92 HA HIS 92 31.303 -6.071 10.992 684 1HB HIS 92 HB2 HIS 92 33.056 -7.762 10.197 685 2HB HIS 92 HB3 HIS 92 32.104 -7.941 8.730 686 HD1 HIS 92 HD1 HIS 92 34.888 -5.981 10.073 687 HD2 HIS 92 HD2 HIS 92 31.683 -5.336 7.418 688 HE1 HIS 92 HE1 HIS 92 35.521 -3.947 8.664 Start of MODEL 2 1 1H MET 1 H1 MET 1 71.498 -6.444 9.842 2 2H MET 1 H2 MET 1 71.948 -4.955 9.336 3 3H MET 1 H3 MET 1 72.264 -5.431 10.873 4 HA MET 1 HA MET 1 69.919 -5.541 11.385 5 1HB MET 1 HB2 MET 1 71.190 -3.443 11.835 6 2HB MET 1 HB3 MET 1 70.732 -2.830 10.242 7 1HG MET 1 HG2 MET 1 69.311 -1.915 12.019 8 2HG MET 1 HG3 MET 1 68.364 -2.864 10.880 9 1HE MET 1 HE1 MET 1 67.140 -1.939 13.557 10 2HE MET 1 HE2 MET 1 66.275 -3.036 12.454 11 3HE MET 1 HE3 MET 1 66.383 -3.419 14.186 12 H SER 2 H SER 2 67.842 -5.736 10.690 13 HA SER 2 HA SER 2 66.978 -4.908 8.007 14 1HB SER 2 HB2 SER 2 66.261 -7.192 7.368 15 2HB SER 2 HB3 SER 2 68.017 -7.054 7.505 16 HG SER 2 HG SER 2 67.258 -8.949 8.524 17 H ASN 3 H ASN 3 64.617 -5.589 7.666 18 HA ASN 3 HA ASN 3 63.032 -5.901 10.128 19 1HB ASN 3 HB2 ASN 3 61.735 -3.863 9.745 20 2HB ASN 3 HB3 ASN 3 63.429 -3.456 9.941 21 1HD2 ASN 3 HD22 ASN 3 60.730 -3.608 7.594 22 2HD2 ASN 3 HD21 ASN 3 61.565 -2.615 6.411 23 HA PRO 4 HA PRO 4 60.242 -7.880 7.198 24 1HB PRO 4 HB2 PRO 4 57.863 -7.854 8.529 25 2HB PRO 4 HB3 PRO 4 59.256 -8.834 9.081 26 1HG PRO 4 HG2 PRO 4 58.385 -6.104 10.073 27 2HG PRO 4 HG3 PRO 4 58.808 -7.551 11.043 28 1HD PRO 4 HD2 PRO 4 60.576 -5.525 10.521 29 2HD PRO 4 HD3 PRO 4 61.109 -7.215 10.698 30 HA PRO 5 HA PRO 5 58.217 -4.566 4.961 31 1HB PRO 5 HB2 PRO 5 56.277 -5.851 3.519 32 2HB PRO 5 HB3 PRO 5 58.027 -6.043 3.191 33 1HG PRO 5 HG2 PRO 5 56.223 -7.865 4.813 34 2HG PRO 5 HG3 PRO 5 57.392 -8.319 3.533 35 1HD PRO 5 HD2 PRO 5 58.010 -8.463 6.186 36 2HD PRO 5 HD3 PRO 5 59.230 -7.988 4.968 37 H THR 6 H THR 6 56.445 -3.179 4.972 38 HA THR 6 HA THR 6 54.038 -3.859 6.593 39 HB THR 6 HB THR 6 54.020 -1.706 7.630 40 HG1 THR 6 HG1 THR 6 55.903 -0.410 7.567 41 1HG2 THR 6 HG21 THR 6 55.740 -2.019 9.310 42 2HG2 THR 6 HG22 THR 6 55.082 -3.596 8.845 43 3HG2 THR 6 HG23 THR 6 56.670 -3.081 8.231 44 HA PRO 7 HA PRO 7 51.565 -2.094 3.455 45 1HB PRO 7 HB2 PRO 7 50.154 -0.595 5.651 46 2HB PRO 7 HB3 PRO 7 49.461 -1.633 4.365 47 1HG PRO 7 HG2 PRO 7 49.687 -2.582 6.896 48 2HG PRO 7 HG3 PRO 7 50.130 -3.616 5.495 49 1HD PRO 7 HD2 PRO 7 51.971 -2.000 7.282 50 2HD PRO 7 HD3 PRO 7 52.114 -3.676 6.772 51 H LEU 8 H LEU 8 51.097 -0.193 2.290 52 HA LEU 8 HA LEU 8 52.344 2.360 3.204 53 1HB LEU 8 HB2 LEU 8 53.534 2.641 1.257 54 2HB LEU 8 HB3 LEU 8 53.797 0.957 1.665 55 HG LEU 8 HG LEU 8 51.979 2.065 -0.528 56 1HD1 LEU 8 HD11 LEU 8 54.409 2.143 -0.978 57 2HD1 LEU 8 HD12 LEU 8 54.524 0.399 -0.653 58 3HD1 LEU 8 HD13 LEU 8 53.579 0.993 -2.037 59 1HD2 LEU 8 HD21 LEU 8 51.724 -0.304 -1.274 60 2HD2 LEU 8 HD22 LEU 8 52.472 -0.842 0.245 61 3HD2 LEU 8 HD23 LEU 8 50.909 0.020 0.249 62 H LEU 9 H LEU 9 49.452 1.057 2.241 63 HA LEU 9 HA LEU 9 48.512 3.323 0.639 64 1HB LEU 9 HB2 LEU 9 47.907 0.962 0.131 65 2HB LEU 9 HB3 LEU 9 47.028 0.869 1.655 66 HG LEU 9 HG LEU 9 45.432 2.600 0.851 67 1HD1 LEU 9 HD11 LEU 9 45.475 3.279 -1.549 68 2HD1 LEU 9 HD12 LEU 9 46.829 3.944 -0.638 69 3HD1 LEU 9 HD13 LEU 9 47.086 2.545 -1.710 70 1HD2 LEU 9 HD21 LEU 9 45.868 0.361 -1.164 71 2HD2 LEU 9 HD22 LEU 9 45.005 0.214 0.384 72 3HD2 LEU 9 HD23 LEU 9 44.358 1.259 -0.891 73 H ALA 10 H ALA 10 49.225 4.698 2.540 74 HA ALA 10 HA ALA 10 47.667 4.968 4.921 75 1HB ALA 10 HB1 ALA 10 49.904 6.001 4.523 76 2HB ALA 10 HB2 ALA 10 49.179 7.077 3.308 77 3HB ALA 10 HB3 ALA 10 48.693 7.207 5.010 78 H ASP 11 H ASP 11 46.050 6.438 5.490 79 HA ASP 11 HA ASP 11 44.394 7.804 3.495 80 1HB ASP 11 HB2 ASP 11 43.810 5.323 3.369 81 2HB ASP 11 HB3 ASP 11 43.339 5.405 5.066 82 H TYR 12 H TYR 12 42.309 8.587 4.752 83 HA TYR 12 HA TYR 12 43.017 10.194 6.975 84 1HB TYR 12 HB2 TYR 12 40.308 9.407 5.850 85 2HB TYR 12 HB3 TYR 12 40.562 10.698 7.014 86 HD1 TYR 12 HD1 TYR 12 40.559 9.875 3.494 87 HD2 TYR 12 HD2 TYR 12 42.083 12.653 6.422 88 HE1 TYR 12 HE1 TYR 12 41.018 11.533 1.689 89 HE2 TYR 12 HE2 TYR 12 42.544 14.307 4.617 90 HH TYR 12 HH TYR 12 42.436 14.756 2.373 91 H GLU 13 H GLU 13 43.126 7.111 7.448 92 HA GLU 13 HA GLU 13 41.452 6.412 9.665 93 1HB GLU 13 HB2 GLU 13 42.945 4.583 9.938 94 2HB GLU 13 HB3 GLU 13 42.851 4.898 8.200 95 1HG GLU 13 HG2 GLU 13 45.015 6.300 8.532 96 2HG GLU 13 HG3 GLU 13 45.133 5.532 10.109 97 H TRP 14 H TRP 14 44.298 8.428 9.417 98 HA TRP 14 HA TRP 14 45.229 8.342 12.070 99 1HB TRP 14 HB2 TRP 14 46.374 10.490 11.441 100 2HB TRP 14 HB3 TRP 14 46.642 9.126 10.379 101 HD1 TRP 14 HD1 TRP 14 43.960 11.966 10.321 102 HE1 TRP 14 HE1 TRP 14 43.897 12.983 7.983 103 HE3 TRP 14 HE3 TRP 14 47.651 9.164 8.107 104 HZ2 TRP 14 HZ2 TRP 14 45.216 12.605 5.446 105 HZ3 TRP 14 HZ3 TRP 14 48.244 9.550 5.725 106 HH2 TRP 14 HH2 TRP 14 47.032 11.254 4.385 107 H SER 15 H SER 15 42.332 9.841 10.985 108 HA SER 15 HA SER 15 42.193 11.998 12.873 109 1HB SER 15 HB2 SER 15 40.003 10.548 11.346 110 2HB SER 15 HB3 SER 15 39.807 12.080 12.221 111 HG SER 15 HG SER 15 40.238 12.400 9.983 112 H GLY 16 H GLY 16 42.021 8.687 13.602 113 1HA GLY 16 HA2 GLY 16 41.447 9.207 16.344 114 2HA GLY 16 HA3 GLY 16 39.962 8.602 15.580 115 H TYR 17 H TYR 17 41.216 6.677 13.823 116 HA TYR 17 HA TYR 17 41.509 4.438 15.585 117 1HB TYR 17 HB2 TYR 17 42.349 4.728 12.677 118 2HB TYR 17 HB3 TYR 17 42.240 3.215 13.562 119 HD1 TYR 17 HD1 TYR 17 39.998 2.468 14.520 120 HD2 TYR 17 HD2 TYR 17 40.368 5.689 11.673 121 HE1 TYR 17 HE1 TYR 17 37.570 2.277 13.983 122 HE2 TYR 17 HE2 TYR 17 37.946 5.492 11.134 123 HH TYR 17 HH TYR 17 35.978 4.401 11.572 124 H LEU 18 H LEU 18 43.892 6.595 14.161 125 HA LEU 18 HA LEU 18 46.179 5.230 15.438 126 1HB LEU 18 HB2 LEU 18 46.203 6.422 13.167 127 2HB LEU 18 HB3 LEU 18 46.023 7.946 14.032 128 HG LEU 18 HG LEU 18 48.378 6.031 14.297 129 1HD1 LEU 18 HD11 LEU 18 49.583 7.727 12.967 130 2HD1 LEU 18 HD12 LEU 18 48.208 7.066 12.065 131 3HD1 LEU 18 HD13 LEU 18 48.091 8.677 12.808 132 1HD2 LEU 18 HD21 LEU 18 47.989 8.880 15.330 133 2HD2 LEU 18 HD22 LEU 18 48.216 7.428 16.326 134 3HD2 LEU 18 HD23 LEU 18 49.536 8.010 15.315 135 H THR 19 H THR 19 46.189 5.351 17.542 136 HA THR 19 HA THR 19 46.237 7.789 19.108 137 HB THR 19 HB THR 19 43.786 7.565 18.606 138 HG1 THR 19 HG1 THR 19 43.197 7.919 20.696 139 1HG2 THR 19 HG21 THR 19 43.773 4.992 18.655 140 2HG2 THR 19 HG22 THR 19 43.817 5.137 20.427 141 3HG2 THR 19 HG23 THR 19 42.459 5.815 19.516 142 H GLY 20 H GLY 20 45.637 6.625 21.608 143 1HA GLY 20 HA2 GLY 20 47.862 5.235 22.521 144 2HA GLY 20 HA3 GLY 20 46.246 5.097 23.222 145 H ILE 21 H ILE 21 44.936 3.740 21.127 146 HA ILE 21 HA ILE 21 45.322 1.009 21.375 147 HB ILE 21 HB ILE 21 44.500 2.596 18.887 148 1HG1 ILE 21 HG12 ILE 21 42.997 3.090 20.749 149 2HG1 ILE 21 HG13 ILE 21 42.176 2.120 19.549 150 1HG2 ILE 21 HG21 ILE 21 45.021 0.358 18.130 151 2HG2 ILE 21 HG22 ILE 21 44.085 -0.372 19.449 152 3HG2 ILE 21 HG23 ILE 21 43.274 0.547 18.167 153 1HD1 ILE 21 HD11 ILE 21 43.219 1.188 22.253 154 2HD1 ILE 21 HD12 ILE 21 41.535 1.397 21.763 155 3HD1 ILE 21 HD13 ILE 21 42.497 0.100 21.039 156 H GLY 22 H GLY 22 46.911 3.108 19.018 157 1HA GLY 22 HA2 GLY 22 48.173 1.075 17.490 158 2HA GLY 22 HA3 GLY 22 48.509 2.817 17.488 159 H ARG 23 H ARG 23 49.076 2.420 20.462 160 HA ARG 23 HA ARG 23 51.827 1.236 20.302 161 1HB ARG 23 HB2 ARG 23 52.740 3.076 21.573 162 2HB ARG 23 HB3 ARG 23 52.005 3.617 20.088 163 1HG ARG 23 HG2 ARG 23 51.525 5.230 21.766 164 2HG ARG 23 HG3 ARG 23 50.019 4.453 21.321 165 1HD ARG 23 HD2 ARG 23 50.249 4.909 23.771 166 2HD ARG 23 HD3 ARG 23 49.946 3.226 23.395 167 HE ARG 23 HE ARG 23 52.109 2.616 24.036 168 1HH1 ARG 23 HH22 ARG 23 51.873 6.110 24.319 169 2HH1 ARG 23 HH21 ARG 23 53.342 6.214 25.250 170 1HH2 ARG 23 HH11 ARG 23 53.935 2.827 25.245 171 2HH2 ARG 23 HH12 ARG 23 54.477 4.398 25.757 172 H ALA 24 H ALA 24 49.029 0.542 21.656 173 HA ALA 24 HA ALA 24 50.330 -0.716 24.020 174 1HB ALA 24 HB1 ALA 24 47.751 0.924 24.105 175 2HB ALA 24 HB2 ALA 24 48.448 0.018 25.464 176 3HB ALA 24 HB3 ALA 24 49.313 1.416 24.805 177 H PHE 25 H PHE 25 47.372 -0.686 22.020 178 HA PHE 25 HA PHE 25 46.770 -3.436 22.901 179 1HB PHE 25 HB2 PHE 25 45.460 -1.524 20.938 180 2HB PHE 25 HB3 PHE 25 45.009 -3.213 21.026 181 HD1 PHE 25 HD1 PHE 25 43.298 -3.886 22.457 182 HD2 PHE 25 HD2 PHE 25 45.399 -0.215 23.317 183 HE1 PHE 25 HE1 PHE 25 41.723 -3.410 24.314 184 HE2 PHE 25 HE2 PHE 25 43.826 0.251 25.170 185 HZ PHE 25 HZ PHE 25 41.982 -1.342 25.673 186 H ASP 26 H ASP 26 48.121 -1.778 20.087 187 HA ASP 26 HA ASP 26 48.624 -3.672 18.180 188 1HB ASP 26 HB2 ASP 26 49.290 -1.356 18.065 189 2HB ASP 26 HB3 ASP 26 50.433 -1.552 19.398 190 H ASP 27 H ASP 27 50.611 -3.309 21.146 191 HA ASP 27 HA ASP 27 52.540 -5.295 20.571 192 1HB ASP 27 HB2 ASP 27 52.705 -3.461 22.256 193 2HB ASP 27 HB3 ASP 27 51.532 -4.304 23.266 194 H GLY 28 H GLY 28 49.259 -5.697 21.654 195 1HA GLY 28 HA2 GLY 28 49.629 -8.484 22.602 196 2HA GLY 28 HA3 GLY 28 48.157 -7.514 22.653 197 H VAL 29 H VAL 29 48.833 -6.855 19.616 198 HA VAL 29 HA VAL 29 47.531 -9.328 18.542 199 HB VAL 29 HB VAL 29 47.579 -6.751 17.010 200 1HG1 VAL 29 HG11 VAL 29 45.756 -9.199 17.165 201 2HG1 VAL 29 HG12 VAL 29 45.368 -7.749 16.211 202 3HG1 VAL 29 HG13 VAL 29 46.784 -8.707 15.802 203 1HG2 VAL 29 HG21 VAL 29 45.333 -6.206 17.923 204 2HG2 VAL 29 HG22 VAL 29 45.582 -7.441 19.187 205 3HG2 VAL 29 HG23 VAL 29 46.640 -6.008 19.076 206 H LYS 30 H LYS 30 50.530 -7.571 18.334 207 HA LYS 30 HA LYS 30 51.451 -8.676 15.870 208 1HB LYS 30 HB2 LYS 30 52.832 -7.786 18.417 209 2HB LYS 30 HB3 LYS 30 53.760 -8.594 17.139 210 1HG LYS 30 HG2 LYS 30 53.048 -6.979 15.476 211 2HG LYS 30 HG3 LYS 30 51.992 -6.162 16.642 212 1HD LYS 30 HD2 LYS 30 53.855 -5.341 17.910 213 2HD LYS 30 HD3 LYS 30 54.988 -6.426 17.090 214 1HE LYS 30 HE2 LYS 30 55.225 -4.122 16.279 215 2HE LYS 30 HE3 LYS 30 54.752 -5.236 14.991 216 1HZ LYS 30 HZ1 LYS 30 53.476 -3.144 14.959 217 2HZ LYS 30 HZ2 LYS 30 52.472 -4.415 15.180 218 3HZ LYS 30 HZ3 LYS 30 52.862 -3.451 16.444 219 H ASP 31 H ASP 31 50.721 -10.284 18.799 220 HA ASP 31 HA ASP 31 52.010 -12.777 18.574 221 1HB ASP 31 HB2 ASP 31 50.563 -11.913 20.445 222 2HB ASP 31 HB3 ASP 31 49.146 -12.148 19.414 223 H LEU 32 H LEU 32 49.241 -11.508 16.746 224 HA LEU 32 HA LEU 32 48.360 -13.933 15.501 225 1HB LEU 32 HB2 LEU 32 47.375 -11.469 15.710 226 2HB LEU 32 HB3 LEU 32 48.277 -11.165 14.246 227 HG LEU 32 HG LEU 32 45.883 -12.973 14.698 228 1HD1 LEU 32 HD11 LEU 32 46.504 -10.659 12.808 229 2HD1 LEU 32 HD12 LEU 32 44.960 -11.523 12.891 230 3HD1 LEU 32 HD13 LEU 32 45.515 -10.576 14.279 231 1HD2 LEU 32 HD21 LEU 32 47.248 -14.337 13.249 232 2HD2 LEU 32 HD22 LEU 32 45.995 -13.581 12.271 233 3HD2 LEU 32 HD23 LEU 32 47.654 -12.938 12.231 234 H ASN 33 H ASN 33 50.750 -11.478 14.558 235 HA ASN 33 HA ASN 33 51.455 -12.634 12.013 236 1HB ASN 33 HB2 ASN 33 51.997 -10.276 12.983 237 2HB ASN 33 HB3 ASN 33 53.381 -11.051 13.753 238 1HD2 ASN 33 HD22 ASN 33 54.213 -12.828 11.598 239 2HD2 ASN 33 HD21 ASN 33 54.734 -11.762 10.302 240 H LYS 34 H LYS 34 52.647 -13.244 15.295 241 HA LYS 34 HA LYS 34 54.675 -15.203 14.574 242 1HB LYS 34 HB2 LYS 34 54.736 -14.007 16.696 243 2HB LYS 34 HB3 LYS 34 53.163 -14.640 17.133 244 1HG LYS 34 HG2 LYS 34 54.188 -16.982 17.140 245 2HG LYS 34 HG3 LYS 34 55.756 -16.208 16.874 246 1HD LYS 34 HD2 LYS 34 55.492 -16.664 19.245 247 2HD LYS 34 HD3 LYS 34 55.412 -14.909 19.005 248 1HE LYS 34 HE2 LYS 34 52.886 -15.096 19.001 249 2HE LYS 34 HE3 LYS 34 53.036 -16.813 19.360 250 1HZ LYS 34 HZ1 LYS 34 54.152 -14.686 21.106 251 2HZ LYS 34 HZ2 LYS 34 52.639 -15.272 21.263 252 3HZ LYS 34 HZ3 LYS 34 53.940 -16.267 21.492 253 H GLN 35 H GLN 35 51.231 -15.503 15.469 254 HA GLN 35 HA GLN 35 51.059 -18.362 15.295 255 1HB GLN 35 HB2 GLN 35 48.954 -16.223 14.748 256 2HB GLN 35 HB3 GLN 35 48.633 -17.951 14.746 257 1HG GLN 35 HG2 GLN 35 49.290 -18.120 17.102 258 2HG GLN 35 HG3 GLN 35 49.683 -16.412 17.152 259 1HE2 GLN 35 HE22 GLN 35 48.074 -15.561 18.549 260 2HE2 GLN 35 HE21 GLN 35 46.355 -15.805 18.238 261 H LEU 36 H LEU 36 50.754 -15.860 12.788 262 HA LEU 36 HA LEU 36 50.156 -17.697 10.634 263 1HB LEU 36 HB2 LEU 36 49.594 -15.289 10.671 264 2HB LEU 36 HB3 LEU 36 51.313 -14.934 10.453 265 HG LEU 36 HG LEU 36 51.319 -16.229 8.323 266 1HD1 LEU 36 HD11 LEU 36 49.482 -17.863 8.594 267 2HD1 LEU 36 HD12 LEU 36 48.319 -16.530 8.742 268 3HD1 LEU 36 HD13 LEU 36 49.159 -16.784 7.221 269 1HD2 LEU 36 HD21 LEU 36 50.752 -13.792 8.517 270 2HD2 LEU 36 HD22 LEU 36 50.034 -14.570 7.099 271 3HD2 LEU 36 HD23 LEU 36 49.039 -14.281 8.542 272 H GLN 37 H GLN 37 53.249 -16.226 11.721 273 HA GLN 37 HA GLN 37 54.826 -17.547 9.709 274 1HB GLN 37 HB2 GLN 37 55.528 -15.570 11.081 275 2HB GLN 37 HB3 GLN 37 55.625 -16.608 12.512 276 1HG GLN 37 HG2 GLN 37 57.399 -17.952 11.408 277 2HG GLN 37 HG3 GLN 37 57.287 -16.937 9.967 278 1HE2 GLN 37 HE22 GLN 37 59.712 -17.345 11.499 279 2HE2 GLN 37 HE21 GLN 37 60.136 -15.781 12.181 280 H ASP 38 H ASP 38 53.671 -18.625 12.903 281 HA ASP 38 HA ASP 38 55.043 -21.163 12.818 282 1HB ASP 38 HB2 ASP 38 54.072 -20.131 14.879 283 2HB ASP 38 HB3 ASP 38 52.459 -20.496 14.263 284 H ALA 39 H ALA 39 51.809 -20.141 11.639 285 HA ALA 39 HA ALA 39 51.023 -22.667 10.591 286 1HB ALA 39 HB1 ALA 39 49.692 -20.317 10.600 287 2HB ALA 39 HB2 ALA 39 50.381 -20.183 8.983 288 3HB ALA 39 HB3 ALA 39 49.382 -21.594 9.354 289 H GLN 40 H GLN 40 52.932 -20.078 9.161 290 HA GLN 40 HA GLN 40 53.423 -21.279 6.614 291 1HB GLN 40 HB2 GLN 40 53.688 -18.798 7.445 292 2HB GLN 40 HB3 GLN 40 55.220 -19.319 8.126 293 1HG GLN 40 HG2 GLN 40 56.050 -19.965 5.891 294 2HG GLN 40 HG3 GLN 40 54.490 -19.544 5.181 295 1HE2 GLN 40 HE22 GLN 40 55.932 -18.112 3.788 296 2HE2 GLN 40 HE21 GLN 40 56.325 -16.526 4.436 297 H ALA 41 H ALA 41 55.086 -21.697 9.731 298 HA ALA 41 HA ALA 41 57.149 -23.431 8.506 299 1HB ALA 41 HB1 ALA 41 57.698 -22.053 10.458 300 2HB ALA 41 HB2 ALA 41 56.482 -22.927 11.428 301 3HB ALA 41 HB3 ALA 41 57.905 -23.784 10.780 302 H ASN 42 H ASN 42 54.007 -24.054 10.143 303 HA ASN 42 HA ASN 42 54.373 -26.927 10.050 304 1HB ASN 42 HB2 ASN 42 51.695 -25.493 9.678 305 2HB ASN 42 HB3 ASN 42 52.015 -27.087 10.314 306 1HD2 ASN 42 HD22 ASN 42 54.018 -26.475 12.305 307 2HD2 ASN 42 HD21 ASN 42 53.200 -25.481 13.501 308 H LEU 43 H LEU 43 53.308 -24.433 7.767 309 HA LEU 43 HA LEU 43 52.987 -26.185 5.555 310 1HB LEU 43 HB2 LEU 43 52.157 -23.648 6.064 311 2HB LEU 43 HB3 LEU 43 53.658 -23.253 5.249 312 HG LEU 43 HG LEU 43 53.009 -24.650 3.364 313 1HD1 LEU 43 HD11 LEU 43 50.425 -25.057 3.329 314 2HD1 LEU 43 HD12 LEU 43 51.357 -26.143 4.325 315 3HD1 LEU 43 HD13 LEU 43 50.517 -24.756 5.106 316 1HD2 LEU 43 HD21 LEU 43 50.968 -22.506 4.005 317 2HD2 LEU 43 HD22 LEU 43 52.579 -22.235 3.269 318 3HD2 LEU 43 HD23 LEU 43 51.355 -23.191 2.400 319 H THR 44 H THR 44 55.851 -24.378 6.738 320 HA THR 44 HA THR 44 57.432 -24.954 4.473 321 HB THR 44 HB THR 44 58.282 -24.628 7.369 322 HG1 THR 44 HG1 THR 44 59.013 -22.638 6.539 323 1HG2 THR 44 HG21 THR 44 59.936 -25.033 4.888 324 2HG2 THR 44 HG22 THR 44 60.564 -24.240 6.381 325 3HG2 THR 44 HG23 THR 44 59.997 -25.920 6.438 326 H LYS 45 H LYS 45 56.755 -26.913 7.336 327 HA LYS 45 HA LYS 45 58.477 -29.144 6.697 328 1HB LYS 45 HB2 LYS 45 55.919 -28.900 8.317 329 2HB LYS 45 HB3 LYS 45 56.843 -30.401 8.169 330 1HG LYS 45 HG2 LYS 45 58.845 -29.215 9.101 331 2HG LYS 45 HG3 LYS 45 57.814 -27.795 9.386 332 1HD LYS 45 HD2 LYS 45 56.338 -29.149 10.847 333 2HD LYS 45 HD3 LYS 45 57.359 -30.578 10.556 334 1HE LYS 45 HE2 LYS 45 59.307 -29.380 11.509 335 2HE LYS 45 HE3 LYS 45 58.296 -27.960 11.808 336 1HZ LYS 45 HZ1 LYS 45 56.959 -29.318 13.335 337 2HZ LYS 45 HZ2 LYS 45 57.887 -30.634 13.049 338 3HZ LYS 45 HZ3 LYS 45 58.521 -29.335 13.805 339 H ASN 46 H ASN 46 55.224 -28.394 5.529 340 HA ASN 46 HA ASN 46 55.727 -30.077 3.243 341 1HB ASN 46 HB2 ASN 46 54.749 -31.589 4.939 342 2HB ASN 46 HB3 ASN 46 53.360 -30.530 4.989 343 1HD2 ASN 46 HD22 ASN 46 53.480 -33.407 4.233 344 2HD2 ASN 46 HD21 ASN 46 53.057 -33.527 2.531 345 HA PRO 47 HA PRO 47 54.388 -25.874 2.249 346 1HB PRO 47 HB2 PRO 47 55.119 -27.000 -0.426 347 2HB PRO 47 HB3 PRO 47 55.320 -25.321 0.223 348 1HG PRO 47 HG2 PRO 47 57.392 -27.104 0.286 349 2HG PRO 47 HG3 PRO 47 57.072 -26.003 1.665 350 1HD PRO 47 HD2 PRO 47 56.575 -28.932 1.483 351 2HD PRO 47 HD3 PRO 47 56.844 -27.907 2.891 352 H SER 48 H SER 48 52.946 -28.677 0.444 353 HA SER 48 HA SER 48 50.459 -27.174 0.685 354 1HB SER 48 HB2 SER 48 49.828 -27.938 -1.449 355 2HB SER 48 HB3 SER 48 51.445 -27.229 -1.537 356 HG SER 48 HG SER 48 50.751 -29.996 -1.593 357 H ASP 49 H ASP 49 51.423 -28.921 2.657 358 HA ASP 49 HA ASP 49 49.678 -31.264 2.744 359 1HB ASP 49 HB2 ASP 49 51.407 -31.299 4.251 360 2HB ASP 49 HB3 ASP 49 51.228 -29.690 4.830 361 HA PRO 50 HA PRO 50 46.230 -28.632 2.494 362 1HB PRO 50 HB2 PRO 50 44.172 -30.331 3.002 363 2HB PRO 50 HB3 PRO 50 45.156 -30.282 1.481 364 1HG PRO 50 HG2 PRO 50 45.394 -32.150 3.880 365 2HG PRO 50 HG3 PRO 50 45.453 -32.588 2.142 366 1HD PRO 50 HD2 PRO 50 47.709 -32.192 3.709 367 2HD PRO 50 HD3 PRO 50 47.673 -31.828 1.950 368 H THR 51 H THR 51 46.647 -30.334 5.580 369 HA THR 51 HA THR 51 44.717 -28.558 7.014 370 HB THR 51 HB THR 51 46.656 -30.697 7.778 371 HG1 THR 51 HG1 THR 51 44.764 -31.685 8.509 372 1HG2 THR 51 HG21 THR 51 46.892 -29.125 9.584 373 2HG2 THR 51 HG22 THR 51 45.125 -28.877 9.643 374 3HG2 THR 51 HG23 THR 51 45.838 -30.438 10.139 375 H ALA 52 H ALA 52 48.284 -28.872 6.584 376 HA ALA 52 HA ALA 52 48.970 -26.499 8.107 377 1HB ALA 52 HB1 ALA 52 51.028 -26.660 6.693 378 2HB ALA 52 HB2 ALA 52 50.586 -28.298 7.244 379 3HB ALA 52 HB3 ALA 52 50.215 -27.795 5.598 380 H LEU 53 H LEU 53 48.024 -26.904 4.737 381 HA LEU 53 HA LEU 53 48.261 -24.098 4.231 382 1HB LEU 53 HB2 LEU 53 48.594 -26.093 2.747 383 2HB LEU 53 HB3 LEU 53 46.853 -26.250 2.586 384 HG LEU 53 HG LEU 53 46.757 -24.516 1.057 385 1HD1 LEU 53 HD11 LEU 53 48.423 -22.661 0.910 386 2HD1 LEU 53 HD12 LEU 53 47.487 -22.660 2.427 387 3HD1 LEU 53 HD13 LEU 53 49.161 -23.276 2.404 388 1HD2 LEU 53 HD21 LEU 53 49.744 -25.142 1.006 389 2HD2 LEU 53 HD22 LEU 53 48.453 -26.243 0.372 390 3HD2 LEU 53 HD23 LEU 53 48.737 -24.651 -0.381 391 H ALA 54 H ALA 54 45.462 -26.218 5.000 392 HA ALA 54 HA ALA 54 43.449 -24.218 4.908 393 1HB ALA 54 HB1 ALA 54 42.898 -26.601 5.144 394 2HB ALA 54 HB2 ALA 54 43.803 -26.710 6.669 395 3HB ALA 54 HB3 ALA 54 42.304 -25.759 6.581 396 H ASN 55 H ASN 55 45.720 -25.159 7.476 397 HA ASN 55 HA ASN 55 44.771 -23.455 9.509 398 1HB ASN 55 HB2 ASN 55 46.228 -25.349 9.969 399 2HB ASN 55 HB3 ASN 55 47.477 -24.716 8.921 400 1HD2 ASN 55 HD22 ASN 55 49.144 -23.958 9.926 401 2HD2 ASN 55 HD21 ASN 55 49.111 -23.268 11.551 402 H TYR 56 H TYR 56 47.608 -23.086 7.375 403 HA TYR 56 HA TYR 56 48.132 -20.317 7.843 404 1HB TYR 56 HB2 TYR 56 49.707 -21.689 6.739 405 2HB TYR 56 HB3 TYR 56 48.568 -22.180 5.495 406 HD1 TYR 56 HD1 TYR 56 48.079 -20.660 3.592 407 HD2 TYR 56 HD2 TYR 56 51.101 -19.792 6.551 408 HE1 TYR 56 HE1 TYR 56 49.340 -19.313 1.918 409 HE2 TYR 56 HE2 TYR 56 52.352 -18.448 4.880 410 HH TYR 56 HH TYR 56 52.484 -17.771 2.687 411 H GLN 57 H GLN 57 45.793 -21.647 5.459 412 HA GLN 57 HA GLN 57 45.057 -19.031 4.518 413 1HB GLN 57 HB2 GLN 57 43.635 -21.714 4.473 414 2HB GLN 57 HB3 GLN 57 42.870 -20.262 3.841 415 1HG GLN 57 HG2 GLN 57 45.587 -21.224 2.857 416 2HG GLN 57 HG3 GLN 57 44.057 -21.709 2.132 417 1HE2 GLN 57 HE22 GLN 57 42.750 -20.047 1.023 418 2HE2 GLN 57 HE21 GLN 57 43.534 -18.561 0.504 419 H MET 58 H MET 58 43.718 -21.002 7.203 420 HA MET 58 HA MET 58 41.566 -19.224 7.866 421 1HB MET 58 HB2 MET 58 41.622 -21.549 8.552 422 2HB MET 58 HB3 MET 58 43.119 -21.292 9.455 423 1HG MET 58 HG2 MET 58 41.832 -19.710 10.969 424 2HG MET 58 HG3 MET 58 40.373 -20.177 10.094 425 1HE MET 58 HE1 MET 58 43.535 -22.335 11.431 426 2HE MET 58 HE2 MET 58 43.135 -21.103 12.649 427 3HE MET 58 HE3 MET 58 42.853 -22.822 12.993 428 H ILE 59 H ILE 59 44.910 -19.481 9.179 429 HA ILE 59 HA ILE 59 44.576 -17.282 11.031 430 HB ILE 59 HB ILE 59 46.976 -18.769 9.884 431 1HG1 ILE 59 HG12 ILE 59 45.639 -19.004 12.636 432 2HG1 ILE 59 HG13 ILE 59 45.386 -20.149 11.320 433 1HG2 ILE 59 HG21 ILE 59 47.541 -16.468 10.786 434 2HG2 ILE 59 HG22 ILE 59 46.934 -17.007 12.357 435 3HG2 ILE 59 HG23 ILE 59 48.318 -17.830 11.580 436 1HD1 ILE 59 HD11 ILE 59 47.010 -21.031 12.870 437 2HD1 ILE 59 HD12 ILE 59 47.726 -20.727 11.267 438 3HD1 ILE 59 HD13 ILE 59 48.073 -19.641 12.634 439 H MET 60 H MET 60 45.803 -17.582 7.669 440 HA MET 60 HA MET 60 46.592 -14.858 7.518 441 1HB MET 60 HB2 MET 60 47.288 -16.754 5.996 442 2HB MET 60 HB3 MET 60 45.763 -16.508 5.128 443 1HG MET 60 HG2 MET 60 46.473 -14.134 4.755 444 2HG MET 60 HG3 MET 60 47.907 -14.443 5.768 445 1HE MET 60 HE1 MET 60 50.374 -16.293 3.767 446 2HE MET 60 HE2 MET 60 49.895 -15.451 5.243 447 3HE MET 60 HE3 MET 60 49.263 -17.090 4.913 448 H SER 61 H SER 61 43.478 -16.426 6.889 449 HA SER 61 HA SER 61 42.039 -14.172 5.875 450 1HB SER 61 HB2 SER 61 41.120 -16.537 7.574 451 2HB SER 61 HB3 SER 61 40.033 -15.326 6.871 452 HG SER 61 HG SER 61 41.792 -17.107 5.526 453 H GLU 62 H GLU 62 42.886 -15.081 9.221 454 HA GLU 62 HA GLU 62 41.508 -12.789 10.390 455 1HB GLU 62 HB2 GLU 62 41.906 -15.034 11.498 456 2HB GLU 62 HB3 GLU 62 43.614 -14.634 11.631 457 1HG GLU 62 HG2 GLU 62 43.056 -12.683 13.045 458 2HG GLU 62 HG3 GLU 62 41.336 -12.941 12.771 459 H TYR 63 H TYR 63 44.884 -13.552 9.587 460 HA TYR 63 HA TYR 63 46.095 -11.193 10.603 461 1HB TYR 63 HB2 TYR 63 47.332 -13.225 9.990 462 2HB TYR 63 HB3 TYR 63 46.875 -13.022 8.309 463 HD1 TYR 63 HD1 TYR 63 48.191 -11.892 6.803 464 HD2 TYR 63 HD2 TYR 63 48.781 -11.261 11.033 465 HE1 TYR 63 HE1 TYR 63 50.294 -10.702 6.320 466 HE2 TYR 63 HE2 TYR 63 50.881 -10.025 10.549 467 HH TYR 63 HH TYR 63 52.396 -9.421 8.965 468 H ASN 64 H ASN 64 44.786 -11.840 7.354 469 HA ASN 64 HA ASN 64 45.802 -9.443 6.167 470 1HB ASN 64 HB2 ASN 64 45.140 -11.434 4.872 471 2HB ASN 64 HB3 ASN 64 43.460 -11.245 5.379 472 1HD2 ASN 64 HD22 ASN 64 46.052 -9.811 3.382 473 2HD2 ASN 64 HD21 ASN 64 44.949 -8.859 2.401 474 H LEU 65 H LEU 65 42.740 -10.192 7.788 475 HA LEU 65 HA LEU 65 41.431 -7.662 7.421 476 1HB LEU 65 HB2 LEU 65 40.249 -9.711 8.068 477 2HB LEU 65 HB3 LEU 65 41.180 -9.816 9.559 478 HG LEU 65 HG LEU 65 40.125 -7.739 10.397 479 1HD1 LEU 65 HD11 LEU 65 38.475 -7.868 7.832 480 2HD1 LEU 65 HD12 LEU 65 38.136 -6.819 9.227 481 3HD1 LEU 65 HD13 LEU 65 39.611 -6.576 8.288 482 1HD2 LEU 65 HD21 LEU 65 39.131 -9.941 10.887 483 2HD2 LEU 65 HD22 LEU 65 37.891 -8.683 10.765 484 3HD2 LEU 65 HD23 LEU 65 38.131 -9.824 9.421 485 H TYR 66 H TYR 66 43.508 -8.914 10.054 486 HA TYR 66 HA TYR 66 43.568 -6.444 11.546 487 1HB TYR 66 HB2 TYR 66 44.162 -8.555 12.607 488 2HB TYR 66 HB3 TYR 66 45.498 -8.789 11.482 489 HD1 TYR 66 HD1 TYR 66 44.252 -6.071 13.801 490 HD2 TYR 66 HD2 TYR 66 47.641 -8.303 12.325 491 HE1 TYR 66 HE1 TYR 66 45.782 -4.668 15.178 492 HE2 TYR 66 HE2 TYR 66 49.159 -6.926 13.738 493 HH TYR 66 HH TYR 66 49.329 -5.097 15.112 494 H ARG 67 H ARG 67 45.577 -7.526 8.814 495 HA ARG 67 HA ARG 67 47.654 -5.686 9.060 496 1HB ARG 67 HB2 ARG 67 47.198 -7.613 7.297 497 2HB ARG 67 HB3 ARG 67 46.542 -6.306 6.319 498 1HG ARG 67 HG2 ARG 67 48.789 -6.493 5.647 499 2HG ARG 67 HG3 ARG 67 48.799 -5.093 6.722 500 1HD ARG 67 HD2 ARG 67 49.633 -6.504 8.580 501 2HD ARG 67 HD3 ARG 67 49.539 -7.936 7.567 502 HE ARG 67 HE ARG 67 51.686 -6.032 7.689 503 1HH1 ARG 67 HH21 ARG 67 50.149 -8.171 5.385 504 2HH1 ARG 67 HH22 ARG 67 51.614 -8.389 4.470 505 1HH2 ARG 67 HH11 ARG 67 53.570 -6.448 6.512 506 2HH2 ARG 67 HH12 ARG 67 53.458 -7.421 5.084 507 H ASN 68 H ASN 68 44.454 -5.018 7.745 508 HA ASN 68 HA ASN 68 44.908 -2.309 6.889 509 1HB ASN 68 HB2 ASN 68 42.940 -3.737 6.268 510 2HB ASN 68 HB3 ASN 68 42.383 -3.666 7.939 511 1HD2 ASN 68 HD22 ASN 68 40.782 -2.150 8.244 512 2HD2 ASN 68 HD21 ASN 68 40.638 -0.673 7.305 513 H ALA 69 H ALA 69 44.158 -3.629 10.087 514 HA ALA 69 HA ALA 69 43.977 -0.959 11.254 515 1HB ALA 69 HB1 ALA 69 43.761 -2.278 13.396 516 2HB ALA 69 HB2 ALA 69 42.591 -2.769 12.155 517 3HB ALA 69 HB3 ALA 69 44.017 -3.777 12.468 518 H GLN 70 H GLN 70 46.380 -3.594 11.126 519 HA GLN 70 HA GLN 70 48.355 -2.482 12.779 520 1HB GLN 70 HB2 GLN 70 48.296 -4.809 11.903 521 2HB GLN 70 HB3 GLN 70 48.700 -4.211 10.304 522 1HG GLN 70 HG2 GLN 70 50.628 -5.216 11.414 523 2HG GLN 70 HG3 GLN 70 50.914 -3.520 11.031 524 1HE2 GLN 70 HE22 GLN 70 50.623 -1.941 12.927 525 2HE2 GLN 70 HE21 GLN 70 50.865 -2.567 14.566 526 H SER 71 H SER 71 47.706 -1.823 9.317 527 HA SER 71 HA SER 71 49.877 -0.150 8.682 528 1HB SER 71 HB2 SER 71 48.086 -0.881 7.110 529 2HB SER 71 HB3 SER 71 46.962 0.241 7.895 530 HG SER 71 HG SER 71 47.938 1.154 6.034 531 H SER 72 H SER 72 46.881 0.729 10.458 532 HA SER 72 HA SER 72 47.517 3.537 10.737 533 1HB SER 72 HB2 SER 72 45.233 2.473 10.949 534 2HB SER 72 HB3 SER 72 45.738 1.825 12.519 535 HG SER 72 HG SER 72 44.646 3.854 12.659 536 H ALA 73 H ALA 73 47.845 0.726 12.956 537 HA ALA 73 HA ALA 73 49.061 2.155 15.090 538 1HB ALA 73 HB1 ALA 73 47.914 0.008 15.349 539 2HB ALA 73 HB2 ALA 73 49.132 -0.795 14.342 540 3HB ALA 73 HB3 ALA 73 49.591 -0.124 15.918 541 H VAL 74 H VAL 74 50.585 0.710 12.221 542 HA VAL 74 HA VAL 74 53.321 0.846 13.036 543 HB VAL 74 HB VAL 74 51.787 0.776 10.450 544 1HG1 VAL 74 HG11 VAL 74 54.764 1.307 10.580 545 2HG1 VAL 74 HG12 VAL 74 53.870 0.739 9.144 546 3HG1 VAL 74 HG13 VAL 74 53.506 2.326 9.823 547 1HG2 VAL 74 HG21 VAL 74 52.353 -1.286 11.772 548 2HG2 VAL 74 HG22 VAL 74 53.024 -1.290 10.138 549 3HG2 VAL 74 HG23 VAL 74 54.070 -0.931 11.531 550 H LYS 75 H LYS 75 51.104 3.365 11.843 551 HA LYS 75 HA LYS 75 53.199 5.384 11.569 552 1HB LYS 75 HB2 LYS 75 50.168 5.656 11.627 553 2HB LYS 75 HB3 LYS 75 51.313 6.930 11.180 554 1HG LYS 75 HG2 LYS 75 52.130 5.557 9.288 555 2HG LYS 75 HG3 LYS 75 51.021 4.260 9.737 556 1HD LYS 75 HD2 LYS 75 49.091 5.900 9.389 557 2HD LYS 75 HD3 LYS 75 50.289 7.035 8.746 558 1HE LYS 75 HE2 LYS 75 49.420 5.955 6.833 559 2HE LYS 75 HE3 LYS 75 50.989 5.187 7.111 560 1HZ LYS 75 HZ1 LYS 75 49.674 3.393 8.317 561 2HZ LYS 75 HZ2 LYS 75 48.302 4.100 7.783 562 3HZ LYS 75 HZ3 LYS 75 49.359 3.461 6.717 563 H SER 76 H SER 76 51.063 4.412 14.235 564 HA SER 76 HA SER 76 51.475 6.617 15.979 565 1HB SER 76 HB2 SER 76 51.299 3.679 16.751 566 2HB SER 76 HB3 SER 76 50.977 5.067 17.796 567 HG SER 76 HG SER 76 49.192 5.572 16.579 568 H MET 77 H MET 77 53.693 3.932 15.203 569 HA MET 77 HA MET 77 55.511 4.319 17.343 570 1HB MET 77 HB2 MET 77 55.393 2.373 15.714 571 2HB MET 77 HB3 MET 77 56.220 3.397 14.532 572 1HG MET 77 HG2 MET 77 57.823 1.958 15.645 573 2HG MET 77 HG3 MET 77 58.135 3.629 16.096 574 1HE MET 77 HE1 MET 77 59.626 1.550 17.707 575 2HE MET 77 HE2 MET 77 59.568 3.272 18.154 576 3HE MET 77 HE3 MET 77 59.277 2.025 19.385 577 H LYS 78 H LYS 78 55.074 6.255 14.432 578 HA LYS 78 HA LYS 78 57.593 7.611 14.444 579 1HB LYS 78 HB2 LYS 78 55.766 7.536 12.622 580 2HB LYS 78 HB3 LYS 78 54.914 8.760 13.555 581 1HG LYS 78 HG2 LYS 78 56.152 9.742 11.715 582 2HG LYS 78 HG3 LYS 78 56.795 10.338 13.238 583 1HD LYS 78 HD2 LYS 78 58.133 7.895 12.106 584 2HD LYS 78 HD3 LYS 78 58.306 9.369 11.154 585 1HE LYS 78 HE2 LYS 78 59.383 10.559 12.878 586 2HE LYS 78 HE3 LYS 78 58.879 9.419 14.127 587 1HZ LYS 78 HZ1 LYS 78 60.737 8.654 11.947 588 2HZ LYS 78 HZ2 LYS 78 61.239 9.171 13.413 589 3HZ LYS 78 HZ3 LYS 78 60.370 7.790 13.305 590 H ASP 79 H ASP 79 54.735 8.056 16.448 591 HA ASP 79 HA ASP 79 55.639 10.593 17.613 592 1HB ASP 79 HB2 ASP 79 53.239 9.868 17.476 593 2HB ASP 79 HB3 ASP 79 53.590 8.584 18.631 594 H ILE 80 H ILE 80 55.844 7.127 18.466 595 HA ILE 80 HA ILE 80 57.098 7.451 21.030 596 HB ILE 80 HB ILE 80 57.280 5.110 19.102 597 1HG1 ILE 80 HG12 ILE 80 54.931 5.532 19.505 598 2HG1 ILE 80 HG13 ILE 80 55.428 4.084 20.348 599 1HG2 ILE 80 HG21 ILE 80 57.641 3.751 21.167 600 2HG2 ILE 80 HG22 ILE 80 58.957 4.870 20.818 601 3HG2 ILE 80 HG23 ILE 80 57.791 5.259 22.097 602 1HD1 ILE 80 HD11 ILE 80 54.968 6.816 21.633 603 2HD1 ILE 80 HD12 ILE 80 53.903 5.409 21.721 604 3HD1 ILE 80 HD13 ILE 80 55.489 5.350 22.501 605 H ASP 81 H ASP 81 58.443 7.189 17.761 606 HA ASP 81 HA ASP 81 61.198 7.079 18.356 607 1HB ASP 81 HB2 ASP 81 59.747 8.479 16.083 608 2HB ASP 81 HB3 ASP 81 61.492 8.309 16.160 609 H SER 82 H SER 82 59.073 9.816 18.867 610 HA SER 82 HA SER 82 60.932 11.966 18.784 611 1HB SER 82 HB2 SER 82 58.402 12.054 18.948 612 2HB SER 82 HB3 SER 82 58.572 11.696 20.678 613 HG SER 82 HG SER 82 58.440 13.958 20.219 614 H SER 83 H SER 83 60.650 9.391 21.121 615 HA SER 83 HA SER 83 61.999 10.680 23.333 616 1HB SER 83 HB2 SER 83 62.243 8.428 24.234 617 2HB SER 83 HB3 SER 83 60.591 8.727 23.681 618 HG SER 83 HG SER 83 60.920 7.432 21.925 619 H ILE 84 H ILE 84 63.261 9.392 20.336 620 HA ILE 84 HA ILE 84 65.966 8.864 21.342 621 HB ILE 84 HB ILE 84 64.716 8.991 18.580 622 1HG1 ILE 84 HG12 ILE 84 65.424 6.659 18.412 623 2HG1 ILE 84 HG13 ILE 84 66.236 6.735 19.973 624 1HG2 ILE 84 HG21 ILE 84 66.896 8.286 17.627 625 2HG2 ILE 84 HG22 ILE 84 66.944 9.925 18.246 626 3HG2 ILE 84 HG23 ILE 84 67.679 8.604 19.188 627 1HD1 ILE 84 HD11 ILE 84 63.226 7.015 19.613 628 2HD1 ILE 84 HD12 ILE 84 64.067 5.493 19.967 629 3HD1 ILE 84 HD13 ILE 84 64.123 6.809 21.143 630 H LEU 85 H LEU 85 67.705 10.200 21.300 631 HA LEU 85 HA LEU 85 67.217 13.036 21.381 632 1HB LEU 85 HB2 LEU 85 68.611 11.620 22.953 633 2HB LEU 85 HB3 LEU 85 69.837 11.519 21.696 634 HG LEU 85 HG LEU 85 70.218 13.968 21.861 635 1HD1 LEU 85 HD11 LEU 85 69.136 15.240 23.734 636 2HD1 LEU 85 HD12 LEU 85 68.009 14.820 22.438 637 3HD1 LEU 85 HD13 LEU 85 68.008 13.890 23.956 638 1HD2 LEU 85 HD21 LEU 85 71.157 14.012 24.108 639 2HD2 LEU 85 HD22 LEU 85 70.154 12.624 24.587 640 3HD2 LEU 85 HD23 LEU 85 71.430 12.430 23.363 641 H GLU 86 H GLU 86 66.765 12.200 18.744 642 HA GLU 86 HA GLU 86 69.035 12.877 17.017 643 1HB GLU 86 HB2 GLU 86 67.448 12.577 15.185 644 2HB GLU 86 HB3 GLU 86 67.430 11.215 16.293 645 1HG GLU 86 HG2 GLU 86 65.326 11.958 17.284 646 2HG GLU 86 HG3 GLU 86 65.379 13.472 16.381 647 H HIS 87 H HIS 87 67.289 14.873 18.909 648 HA HIS 87 HA HIS 87 66.401 16.995 17.269 649 1HB HIS 87 HB2 HIS 87 65.802 16.516 19.653 650 2HB HIS 87 HB3 HIS 87 67.399 17.077 20.143 651 HD1 HIS 87 HD1 HIS 87 67.338 19.587 20.891 652 HD2 HIS 87 HD2 HIS 87 64.372 18.534 18.086 653 HE1 HIS 87 HE1 HIS 87 65.988 21.698 20.451 654 H HIS 88 H HIS 88 67.250 19.263 17.437 655 HA HIS 88 HA HIS 88 69.658 19.426 15.953 656 1HB HIS 88 HB2 HIS 88 67.514 20.750 15.701 657 2HB HIS 88 HB3 HIS 88 68.013 21.709 17.093 658 HD1 HIS 88 HD1 HIS 88 69.822 20.670 13.766 659 HD2 HIS 88 HD2 HIS 88 69.030 23.959 16.271 660 HE1 HIS 88 HE1 HIS 88 70.962 22.676 12.689 661 H HIS 89 H HIS 89 70.117 18.606 18.805 662 HA HIS 89 HA HIS 89 71.889 20.608 19.994 663 1HB HIS 89 HB2 HIS 89 71.725 17.607 20.466 664 2HB HIS 89 HB3 HIS 89 72.452 18.806 21.532 665 HD1 HIS 89 HD1 HIS 89 69.804 16.760 22.023 666 HD2 HIS 89 HD2 HIS 89 70.015 20.942 21.618 667 HE1 HIS 89 HE1 HIS 89 67.720 17.692 23.163 668 H HIS 90 H HIS 90 72.178 19.271 17.119 669 HA HIS 90 HA HIS 90 75.091 18.677 17.134 670 1HB HIS 90 HB2 HIS 90 72.956 17.116 15.617 671 2HB HIS 90 HB3 HIS 90 74.669 16.732 15.756 672 HD1 HIS 90 HD1 HIS 90 71.354 16.263 17.588 673 HD2 HIS 90 HD2 HIS 90 75.491 15.706 18.197 674 HE1 HIS 90 HE1 HIS 90 71.586 14.742 19.616 675 H HIS 91 H HIS 91 76.138 19.343 15.228 676 HA HIS 91 HA HIS 91 74.571 20.857 13.179 677 1HB HIS 91 HB2 HIS 91 76.962 21.864 14.775 678 2HB HIS 91 HB3 HIS 91 76.263 22.683 13.386 679 HD1 HIS 91 HD1 HIS 91 73.184 21.859 14.912 680 HD2 HIS 91 HD2 HIS 91 76.432 24.291 16.020 681 HE1 HIS 91 HE1 HIS 91 72.249 23.597 16.517 682 H HIS 92 H HIS 92 75.930 21.529 11.332 683 HA HIS 92 HA HIS 92 78.085 19.616 10.584 684 1HB HIS 92 HB2 HIS 92 75.555 20.147 8.972 685 2HB HIS 92 HB3 HIS 92 76.920 19.160 8.463 686 HD1 HIS 92 HD1 HIS 92 77.339 16.910 10.205 687 HD2 HIS 92 HD2 HIS 92 73.614 18.860 10.158 688 HE1 HIS 92 HE1 HIS 92 75.668 15.280 11.239 Start of MODEL 3 1 1H MET 1 H1 MET 1 42.937 -26.075 -14.453 2 2H MET 1 H2 MET 1 43.864 -27.397 -14.712 3 3H MET 1 H3 MET 1 42.643 -27.456 -13.623 4 HA MET 1 HA MET 1 45.068 -25.797 -13.384 5 1HB MET 1 HB2 MET 1 43.085 -24.728 -12.378 6 2HB MET 1 HB3 MET 1 42.775 -26.170 -11.404 7 1HG MET 1 HG2 MET 1 44.962 -25.876 -10.283 8 2HG MET 1 HG3 MET 1 45.278 -24.436 -11.251 9 1HE MET 1 HE1 MET 1 42.898 -21.766 -9.758 10 2HE MET 1 HE2 MET 1 44.249 -22.112 -10.860 11 3HE MET 1 HE3 MET 1 42.616 -22.719 -11.227 12 H SER 2 H SER 2 46.807 -27.078 -13.046 13 HA SER 2 HA SER 2 46.638 -29.810 -12.107 14 1HB SER 2 HB2 SER 2 49.152 -29.594 -12.106 15 2HB SER 2 HB3 SER 2 48.354 -29.240 -13.648 16 HG SER 2 HG SER 2 49.960 -27.671 -13.079 17 H ASN 3 H ASN 3 47.559 -26.737 -10.558 18 HA ASN 3 HA ASN 3 46.813 -27.769 -7.940 19 1HB ASN 3 HB2 ASN 3 48.961 -27.210 -6.844 20 2HB ASN 3 HB3 ASN 3 49.159 -28.497 -8.014 21 1HD2 ASN 3 HD22 ASN 3 49.778 -24.981 -7.450 22 2HD2 ASN 3 HD21 ASN 3 51.089 -24.938 -8.618 23 HA PRO 4 HA PRO 4 45.776 -23.425 -7.470 24 1HB PRO 4 HB2 PRO 4 45.788 -23.051 -4.766 25 2HB PRO 4 HB3 PRO 4 44.564 -24.054 -5.603 26 1HG PRO 4 HG2 PRO 4 47.096 -24.978 -4.213 27 2HG PRO 4 HG3 PRO 4 45.432 -25.615 -4.014 28 1HD PRO 4 HD2 PRO 4 47.248 -26.787 -5.659 29 2HD PRO 4 HD3 PRO 4 45.524 -26.739 -6.092 30 HA PRO 5 HA PRO 5 49.417 -20.805 -7.112 31 1HB PRO 5 HB2 PRO 5 47.774 -19.247 -5.107 32 2HB PRO 5 HB3 PRO 5 48.787 -18.629 -6.448 33 1HG PRO 5 HG2 PRO 5 46.095 -18.798 -6.737 34 2HG PRO 5 HG3 PRO 5 47.177 -19.304 -8.077 35 1HD PRO 5 HD2 PRO 5 45.697 -21.044 -6.101 36 2HD PRO 5 HD3 PRO 5 45.990 -21.285 -7.845 37 H THR 6 H THR 6 51.118 -20.155 -5.722 38 HA THR 6 HA THR 6 51.169 -21.117 -2.897 39 HB THR 6 HB THR 6 53.357 -22.074 -3.214 40 HG1 THR 6 HG1 THR 6 54.114 -22.471 -5.318 41 1HG2 THR 6 HG21 THR 6 51.361 -23.552 -3.378 42 2HG2 THR 6 HG22 THR 6 51.403 -23.378 -5.148 43 3HG2 THR 6 HG23 THR 6 52.755 -24.149 -4.292 44 HA PRO 7 HA PRO 7 53.186 -17.446 -1.728 45 1HB PRO 7 HB2 PRO 7 55.308 -19.179 -0.457 46 2HB PRO 7 HB3 PRO 7 54.377 -17.817 0.247 47 1HG PRO 7 HG2 PRO 7 53.691 -20.376 0.834 48 2HG PRO 7 HG3 PRO 7 52.425 -19.154 0.477 49 1HD PRO 7 HD2 PRO 7 53.579 -21.257 -1.359 50 2HD PRO 7 HD3 PRO 7 51.897 -20.810 -1.105 51 H LEU 8 H LEU 8 54.974 -16.040 -2.072 52 HA LEU 8 HA LEU 8 57.147 -16.900 -3.922 53 1HB LEU 8 HB2 LEU 8 55.152 -14.639 -4.361 54 2HB LEU 8 HB3 LEU 8 56.626 -14.823 -5.295 55 HG LEU 8 HG LEU 8 54.370 -16.869 -5.259 56 1HD1 LEU 8 HD11 LEU 8 53.680 -14.742 -6.280 57 2HD1 LEU 8 HD12 LEU 8 55.108 -14.773 -7.339 58 3HD1 LEU 8 HD13 LEU 8 53.845 -16.016 -7.496 59 1HD2 LEU 8 HD21 LEU 8 56.557 -17.876 -5.849 60 2HD2 LEU 8 HD22 LEU 8 55.510 -17.770 -7.265 61 3HD2 LEU 8 HD23 LEU 8 56.828 -16.596 -7.055 62 H LEU 9 H LEU 9 58.805 -15.346 -4.195 63 HA LEU 9 HA LEU 9 59.407 -13.752 -1.778 64 1HB LEU 9 HB2 LEU 9 61.668 -14.061 -2.252 65 2HB LEU 9 HB3 LEU 9 60.902 -15.618 -2.487 66 HG LEU 9 HG LEU 9 61.897 -13.725 -4.675 67 1HD1 LEU 9 HD11 LEU 9 63.649 -14.900 -3.404 68 2HD1 LEU 9 HD12 LEU 9 62.867 -16.458 -3.760 69 3HD1 LEU 9 HD13 LEU 9 63.554 -15.476 -5.075 70 1HD2 LEU 9 HD21 LEU 9 60.000 -14.914 -5.626 71 2HD2 LEU 9 HD22 LEU 9 61.487 -15.616 -6.243 72 3HD2 LEU 9 HD23 LEU 9 60.598 -16.465 -4.963 73 H ALA 10 H ALA 10 57.659 -12.790 -4.007 74 HA ALA 10 HA ALA 10 58.906 -10.769 -5.570 75 1HB ALA 10 HB1 ALA 10 56.042 -11.044 -4.576 76 2HB ALA 10 HB2 ALA 10 56.571 -10.060 -5.958 77 3HB ALA 10 HB3 ALA 10 56.710 -11.824 -6.026 78 H ASP 11 H ASP 11 58.008 -8.402 -5.391 79 HA ASP 11 HA ASP 11 59.516 -7.034 -3.561 80 1HB ASP 11 HB2 ASP 11 58.564 -6.112 -5.617 81 2HB ASP 11 HB3 ASP 11 56.949 -6.134 -4.910 82 H TYR 12 H TYR 12 56.092 -7.908 -3.030 83 HA TYR 12 HA TYR 12 55.755 -6.449 -0.577 84 1HB TYR 12 HB2 TYR 12 53.685 -7.787 -0.372 85 2HB TYR 12 HB3 TYR 12 53.866 -6.987 -1.916 86 HD1 TYR 12 HD1 TYR 12 54.322 -10.334 -0.241 87 HD2 TYR 12 HD2 TYR 12 53.631 -8.196 -3.931 88 HE1 TYR 12 HE1 TYR 12 53.882 -12.487 -1.412 89 HE2 TYR 12 HE2 TYR 12 53.160 -10.347 -5.085 90 HH TYR 12 HH TYR 12 52.972 -12.612 -4.879 91 H GLU 13 H GLU 13 57.621 -9.198 -1.087 92 HA GLU 13 HA GLU 13 57.569 -9.936 1.819 93 1HB GLU 13 HB2 GLU 13 56.679 -11.713 0.310 94 2HB GLU 13 HB3 GLU 13 58.182 -11.676 -0.603 95 1HG GLU 13 HG2 GLU 13 58.157 -13.575 0.911 96 2HG GLU 13 HG3 GLU 13 59.448 -12.464 1.333 97 H TRP 14 H TRP 14 59.582 -9.473 -1.078 98 HA TRP 14 HA TRP 14 62.160 -9.691 0.078 99 1HB TRP 14 HB2 TRP 14 61.643 -9.587 -2.338 100 2HB TRP 14 HB3 TRP 14 61.171 -7.903 -2.169 101 HD1 TRP 14 HD1 TRP 14 64.240 -10.173 -2.183 102 HE1 TRP 14 HE1 TRP 14 66.359 -8.778 -2.597 103 HE3 TRP 14 HE3 TRP 14 62.184 -5.481 -1.934 104 HZ2 TRP 14 HZ2 TRP 14 67.072 -5.987 -2.784 105 HZ3 TRP 14 HZ3 TRP 14 63.614 -3.471 -2.235 106 HH2 TRP 14 HH2 TRP 14 66.051 -3.709 -2.658 107 H SER 15 H SER 15 59.853 -7.023 0.240 108 HA SER 15 HA SER 15 61.472 -4.946 1.256 109 1HB SER 15 HB2 SER 15 59.408 -4.048 2.196 110 2HB SER 15 HB3 SER 15 59.140 -4.660 0.556 111 HG SER 15 HG SER 15 57.491 -5.339 2.008 112 H GLY 16 H GLY 16 60.478 -7.890 2.879 113 1HA GLY 16 HA2 GLY 16 60.679 -7.393 5.602 114 2HA GLY 16 HA3 GLY 16 61.249 -8.853 4.779 115 H TYR 17 H TYR 17 63.317 -7.477 3.285 116 HA TYR 17 HA TYR 17 65.613 -7.591 4.923 117 1HB TYR 17 HB2 TYR 17 65.472 -7.729 2.432 118 2HB TYR 17 HB3 TYR 17 65.150 -6.004 2.370 119 HD1 TYR 17 HD1 TYR 17 67.683 -8.576 3.341 120 HD2 TYR 17 HD2 TYR 17 66.965 -4.422 2.414 121 HE1 TYR 17 HE1 TYR 17 70.143 -8.168 3.249 122 HE2 TYR 17 HE2 TYR 17 69.420 -4.017 2.323 123 HH TYR 17 HH TYR 17 71.511 -4.932 2.525 124 H LEU 18 H LEU 18 63.325 -4.979 4.629 125 HA LEU 18 HA LEU 18 64.975 -3.245 6.427 126 1HB LEU 18 HB2 LEU 18 64.985 -2.494 4.067 127 2HB LEU 18 HB3 LEU 18 63.236 -2.409 4.061 128 HG LEU 18 HG LEU 18 64.507 -0.252 4.215 129 1HD1 LEU 18 HD11 LEU 18 62.112 -0.408 4.861 130 2HD1 LEU 18 HD12 LEU 18 62.611 -0.599 6.558 131 3HD1 LEU 18 HD13 LEU 18 63.009 0.879 5.681 132 1HD2 LEU 18 HD21 LEU 18 66.243 -0.980 5.834 133 2HD2 LEU 18 HD22 LEU 18 65.428 0.523 6.302 134 3HD2 LEU 18 HD23 LEU 18 65.011 -0.995 7.119 135 H THR 19 H THR 19 61.634 -4.104 5.378 136 HA THR 19 HA THR 19 60.149 -2.664 7.213 137 HB THR 19 HB THR 19 59.555 -5.425 6.099 138 HG1 THR 19 HG1 THR 19 58.544 -4.226 4.495 139 1HG2 THR 19 HG21 THR 19 57.154 -4.667 6.216 140 2HG2 THR 19 HG22 THR 19 57.874 -4.961 7.798 141 3HG2 THR 19 HG23 THR 19 57.681 -3.291 7.214 142 H GLY 20 H GLY 20 62.139 -5.399 8.062 143 1HA GLY 20 HA2 GLY 20 61.102 -6.311 10.501 144 2HA GLY 20 HA3 GLY 20 62.820 -6.068 10.132 145 H ILE 21 H ILE 21 62.733 -3.203 9.845 146 HA ILE 21 HA ILE 21 62.994 -2.372 12.571 147 HB ILE 21 HB ILE 21 64.168 -1.441 10.500 148 1HG1 ILE 21 HG12 ILE 21 64.425 0.835 11.373 149 2HG1 ILE 21 HG13 ILE 21 63.022 0.635 12.419 150 1HG2 ILE 21 HG21 ILE 21 62.024 -0.941 9.211 151 2HG2 ILE 21 HG22 ILE 21 61.773 0.434 10.298 152 3HG2 ILE 21 HG23 ILE 21 63.213 0.368 9.266 153 1HD1 ILE 21 HD11 ILE 21 65.562 -1.049 12.603 154 2HD1 ILE 21 HD12 ILE 21 65.226 0.393 13.582 155 3HD1 ILE 21 HD13 ILE 21 64.205 -1.037 13.760 156 H GLY 22 H GLY 22 60.237 -2.315 10.428 157 1HA GLY 22 HA2 GLY 22 58.595 -0.553 12.127 158 2HA GLY 22 HA3 GLY 22 58.111 -1.389 10.644 159 H ARG 23 H ARG 23 58.902 -4.017 11.357 160 HA ARG 23 HA ARG 23 56.728 -5.029 12.832 161 1HB ARG 23 HB2 ARG 23 58.200 -6.301 11.234 162 2HB ARG 23 HB3 ARG 23 59.441 -6.354 12.482 163 1HG ARG 23 HG2 ARG 23 58.306 -8.468 12.476 164 2HG ARG 23 HG3 ARG 23 57.877 -7.645 13.955 165 1HD ARG 23 HD2 ARG 23 55.854 -8.570 13.223 166 2HD ARG 23 HD3 ARG 23 55.715 -6.887 12.720 167 HE ARG 23 HE ARG 23 56.884 -8.535 10.644 168 1HH1 ARG 23 HH21 ARG 23 53.710 -7.587 11.912 169 2HH1 ARG 23 HH22 ARG 23 52.926 -8.318 10.521 170 1HH2 ARG 23 HH11 ARG 23 55.719 -9.363 8.940 171 2HH2 ARG 23 HH12 ARG 23 53.977 -9.309 8.991 172 H ALA 24 H ALA 24 59.660 -3.649 14.127 173 HA ALA 24 HA ALA 24 59.304 -4.783 16.766 174 1HB ALA 24 HB1 ALA 24 60.947 -2.371 15.840 175 2HB ALA 24 HB2 ALA 24 61.130 -3.224 17.387 176 3HB ALA 24 HB3 ALA 24 61.522 -4.055 15.869 177 H PHE 25 H PHE 25 57.900 -1.898 15.279 178 HA PHE 25 HA PHE 25 56.786 -1.179 17.952 179 1HB PHE 25 HB2 PHE 25 55.915 0.798 17.045 180 2HB PHE 25 HB3 PHE 25 57.599 0.680 16.594 181 HD1 PHE 25 HD1 PHE 25 54.111 0.124 15.265 182 HD2 PHE 25 HD2 PHE 25 58.216 1.085 14.346 183 HE1 PHE 25 HE1 PHE 25 53.463 0.661 12.936 184 HE2 PHE 25 HE2 PHE 25 57.549 1.673 12.027 185 HZ PHE 25 HZ PHE 25 55.179 1.442 11.312 186 H ASP 26 H ASP 26 55.998 -2.915 15.084 187 HA ASP 26 HA ASP 26 53.175 -3.221 15.424 188 1HB ASP 26 HB2 ASP 26 54.705 -3.774 13.417 189 2HB ASP 26 HB3 ASP 26 55.141 -5.235 14.307 190 H ASP 27 H ASP 27 55.415 -4.061 17.720 191 HA ASP 27 HA ASP 27 55.141 -6.737 18.318 192 1HB ASP 27 HB2 ASP 27 56.755 -5.156 19.279 193 2HB ASP 27 HB3 ASP 27 55.473 -4.434 20.258 194 H GLY 28 H GLY 28 52.734 -4.269 19.027 195 1HA GLY 28 HA2 GLY 28 51.058 -5.796 20.822 196 2HA GLY 28 HA3 GLY 28 50.588 -4.386 19.872 197 H VAL 29 H VAL 29 51.565 -6.086 17.422 198 HA VAL 29 HA VAL 29 49.197 -7.890 17.102 199 HB VAL 29 HB VAL 29 50.413 -6.414 14.764 200 1HG1 VAL 29 HG11 VAL 29 48.895 -8.293 14.275 201 2HG1 VAL 29 HG12 VAL 29 47.670 -7.611 15.352 202 3HG1 VAL 29 HG13 VAL 29 48.130 -6.773 13.840 203 1HG2 VAL 29 HG21 VAL 29 49.764 -4.577 16.209 204 2HG2 VAL 29 HG22 VAL 29 48.575 -4.738 14.921 205 3HG2 VAL 29 HG23 VAL 29 48.194 -5.345 16.551 206 H LYS 30 H LYS 30 52.632 -7.559 16.859 207 HA LYS 30 HA LYS 30 53.379 -9.652 15.198 208 1HB LYS 30 HB2 LYS 30 54.839 -8.032 16.409 209 2HB LYS 30 HB3 LYS 30 54.603 -8.965 17.897 210 1HG LYS 30 HG2 LYS 30 55.715 -10.911 16.867 211 2HG LYS 30 HG3 LYS 30 55.849 -10.038 15.324 212 1HD LYS 30 HD2 LYS 30 57.262 -8.312 16.439 213 2HD LYS 30 HD3 LYS 30 57.130 -9.203 17.968 214 1HE LYS 30 HE2 LYS 30 58.200 -11.182 16.889 215 2HE LYS 30 HE3 LYS 30 58.361 -10.267 15.384 216 1HZ LYS 30 HZ1 LYS 30 60.410 -10.190 16.687 217 2HZ LYS 30 HZ2 LYS 30 59.788 -8.684 16.586 218 3HZ LYS 30 HZ3 LYS 30 59.639 -9.541 17.970 219 H ASP 31 H ASP 31 51.743 -9.918 18.245 220 HA ASP 31 HA ASP 31 51.967 -12.651 18.900 221 1HB ASP 31 HB2 ASP 31 50.851 -10.891 20.249 222 2HB ASP 31 HB3 ASP 31 49.615 -10.704 18.996 223 H LEU 32 H LEU 32 49.899 -11.123 16.452 224 HA LEU 32 HA LEU 32 48.576 -13.632 15.660 225 1HB LEU 32 HB2 LEU 32 47.845 -11.010 15.637 226 2HB LEU 32 HB3 LEU 32 48.584 -11.063 14.057 227 HG LEU 32 HG LEU 32 46.193 -12.668 15.073 228 1HD1 LEU 32 HD11 LEU 32 45.012 -11.380 13.293 229 2HD1 LEU 32 HD12 LEU 32 45.745 -10.328 14.512 230 3HD1 LEU 32 HD13 LEU 32 46.527 -10.518 12.933 231 1HD2 LEU 32 HD21 LEU 32 47.310 -14.181 13.570 232 2HD2 LEU 32 HD22 LEU 32 45.957 -13.470 12.692 233 3HD2 LEU 32 HD23 LEU 32 47.610 -12.886 12.396 234 H ASN 33 H ASN 33 51.192 -11.512 14.555 235 HA ASN 33 HA ASN 33 51.748 -12.917 12.094 236 1HB ASN 33 HB2 ASN 33 52.617 -10.620 12.664 237 2HB ASN 33 HB3 ASN 33 53.726 -11.376 13.817 238 1HD2 ASN 33 HD21 ASN 33 55.757 -11.789 12.992 239 2HD2 ASN 33 HD22 ASN 33 56.073 -12.064 11.289 240 H LYS 34 H LYS 34 52.848 -13.461 15.424 241 HA LYS 34 HA LYS 34 54.637 -15.645 14.915 242 1HB LYS 34 HB2 LYS 34 54.519 -14.305 17.003 243 2HB LYS 34 HB3 LYS 34 52.952 -15.032 17.385 244 1HG LYS 34 HG2 LYS 34 54.035 -17.283 17.453 245 2HG LYS 34 HG3 LYS 34 55.598 -16.536 17.104 246 1HD LYS 34 HD2 LYS 34 53.861 -15.971 19.554 247 2HD LYS 34 HD3 LYS 34 55.247 -17.069 19.511 248 1HE LYS 34 HE2 LYS 34 56.727 -15.161 18.869 249 2HE LYS 34 HE3 LYS 34 55.346 -14.063 18.991 250 1HZ LYS 34 HZ1 LYS 34 55.162 -14.666 21.349 251 2HZ LYS 34 HZ2 LYS 34 56.439 -15.678 21.234 252 3HZ LYS 34 HZ3 LYS 34 56.650 -14.074 21.039 253 H GLN 35 H GLN 35 51.148 -15.596 15.567 254 HA GLN 35 HA GLN 35 50.701 -18.442 15.444 255 1HB GLN 35 HB2 GLN 35 48.868 -16.089 14.807 256 2HB GLN 35 HB3 GLN 35 48.336 -17.768 14.833 257 1HG GLN 35 HG2 GLN 35 48.773 -17.999 17.148 258 2HG GLN 35 HG3 GLN 35 49.702 -16.513 17.242 259 1HE2 GLN 35 HE22 GLN 35 48.630 -14.666 17.856 260 2HE2 GLN 35 HE21 GLN 35 46.879 -14.558 18.007 261 H LEU 36 H LEU 36 50.723 -15.948 12.912 262 HA LEU 36 HA LEU 36 50.111 -17.748 10.738 263 1HB LEU 36 HB2 LEU 36 49.673 -15.323 10.817 264 2HB LEU 36 HB3 LEU 36 51.411 -15.047 10.647 265 HG LEU 36 HG LEU 36 51.406 -16.243 8.483 266 1HD1 LEU 36 HD11 LEU 36 49.513 -17.832 8.678 267 2HD1 LEU 36 HD12 LEU 36 48.393 -16.462 8.794 268 3HD1 LEU 36 HD13 LEU 36 49.293 -16.720 7.310 269 1HD2 LEU 36 HD21 LEU 36 49.163 -14.232 8.762 270 2HD2 LEU 36 HD22 LEU 36 50.885 -13.789 8.749 271 3HD2 LEU 36 HD23 LEU 36 50.136 -14.489 7.308 272 H GLN 37 H GLN 37 53.231 -16.552 12.031 273 HA GLN 37 HA GLN 37 54.840 -17.981 10.105 274 1HB GLN 37 HB2 GLN 37 55.398 -16.853 12.878 275 2HB GLN 37 HB3 GLN 37 56.635 -17.691 11.930 276 1HG GLN 37 HG2 GLN 37 56.421 -16.097 10.100 277 2HG GLN 37 HG3 GLN 37 55.132 -15.231 10.922 278 1HE2 GLN 37 HE22 GLN 37 57.772 -14.197 10.017 279 2HE2 GLN 37 HE21 GLN 37 58.554 -13.609 11.478 280 H ASP 38 H ASP 38 53.434 -18.958 13.243 281 HA ASP 38 HA ASP 38 54.630 -21.578 13.263 282 1HB ASP 38 HB2 ASP 38 53.476 -20.583 15.227 283 2HB ASP 38 HB3 ASP 38 51.933 -20.743 14.391 284 H ALA 39 H ALA 39 51.608 -20.334 11.793 285 HA ALA 39 HA ALA 39 50.804 -22.785 10.603 286 1HB ALA 39 HB1 ALA 39 50.368 -20.174 9.125 287 2HB ALA 39 HB2 ALA 39 49.307 -21.581 9.287 288 3HB ALA 39 HB3 ALA 39 49.549 -20.416 10.652 289 H GLN 40 H GLN 40 52.920 -20.236 9.382 290 HA GLN 40 HA GLN 40 53.492 -21.466 6.861 291 1HB GLN 40 HB2 GLN 40 53.807 -18.979 7.723 292 2HB GLN 40 HB3 GLN 40 55.356 -19.550 8.326 293 1HG GLN 40 HG2 GLN 40 56.011 -20.239 6.024 294 2HG GLN 40 HG3 GLN 40 54.427 -19.751 5.422 295 1HE2 GLN 40 HE22 GLN 40 54.497 -17.727 4.395 296 2HE2 GLN 40 HE21 GLN 40 55.625 -16.460 4.857 297 H ALA 41 H ALA 41 54.956 -21.951 10.050 298 HA ALA 41 HA ALA 41 57.088 -23.677 8.961 299 1HB ALA 41 HB1 ALA 41 56.194 -23.251 11.827 300 2HB ALA 41 HB2 ALA 41 57.668 -24.084 11.258 301 3HB ALA 41 HB3 ALA 41 57.476 -22.343 10.977 302 H ASN 42 H ASN 42 53.856 -24.290 10.406 303 HA ASN 42 HA ASN 42 54.183 -27.158 10.204 304 1HB ASN 42 HB2 ASN 42 51.533 -25.632 9.988 305 2HB ASN 42 HB3 ASN 42 51.799 -27.292 10.439 306 1HD2 ASN 42 HD22 ASN 42 50.540 -24.966 11.941 307 2HD2 ASN 42 HD21 ASN 42 51.492 -24.784 13.406 308 H LEU 43 H LEU 43 53.206 -24.577 7.967 309 HA LEU 43 HA LEU 43 52.944 -26.275 5.703 310 1HB LEU 43 HB2 LEU 43 52.180 -23.718 6.194 311 2HB LEU 43 HB3 LEU 43 53.752 -23.363 5.501 312 HG LEU 43 HG LEU 43 53.171 -24.705 3.525 313 1HD1 LEU 43 HD11 LEU 43 50.596 -24.996 3.315 314 2HD1 LEU 43 HD12 LEU 43 51.407 -26.131 4.361 315 3HD1 LEU 43 HD13 LEU 43 50.574 -24.718 5.099 316 1HD2 LEU 43 HD21 LEU 43 52.862 -22.261 3.468 317 2HD2 LEU 43 HD22 LEU 43 51.659 -23.143 2.495 318 3HD2 LEU 43 HD23 LEU 43 51.196 -22.477 4.091 319 H THR 44 H THR 44 55.781 -24.585 7.082 320 HA THR 44 HA THR 44 57.488 -25.130 4.884 321 HB THR 44 HB THR 44 58.186 -24.890 7.822 322 HG1 THR 44 HG1 THR 44 57.394 -23.032 6.643 323 1HG2 THR 44 HG21 THR 44 59.935 -26.149 6.924 324 2HG2 THR 44 HG22 THR 44 59.940 -25.222 5.399 325 3HG2 THR 44 HG23 THR 44 60.504 -24.467 6.935 326 H LYS 45 H LYS 45 56.633 -27.112 7.676 327 HA LYS 45 HA LYS 45 58.303 -29.391 7.093 328 1HB LYS 45 HB2 LYS 45 55.686 -29.042 8.585 329 2HB LYS 45 HB3 LYS 45 56.547 -30.587 8.482 330 1HG LYS 45 HG2 LYS 45 58.529 -29.553 9.565 331 2HG LYS 45 HG3 LYS 45 57.668 -28.014 9.662 332 1HD LYS 45 HD2 LYS 45 57.587 -29.076 11.811 333 2HD LYS 45 HD3 LYS 45 55.955 -29.045 11.129 334 1HE LYS 45 HE2 LYS 45 56.159 -31.416 10.468 335 2HE LYS 45 HE3 LYS 45 57.840 -31.448 11.019 336 1HZ LYS 45 HZ1 LYS 45 57.045 -31.039 13.280 337 2HZ LYS 45 HZ2 LYS 45 55.489 -30.986 12.780 338 3HZ LYS 45 HZ3 LYS 45 56.333 -32.378 12.684 339 H ASN 46 H ASN 46 55.139 -28.512 5.774 340 HA ASN 46 HA ASN 46 55.683 -30.214 3.509 341 1HB ASN 46 HB2 ASN 46 54.552 -31.686 5.144 342 2HB ASN 46 HB3 ASN 46 53.214 -30.559 5.139 343 1HD2 ASN 46 HD22 ASN 46 53.071 -33.383 4.402 344 2HD2 ASN 46 HD21 ASN 46 52.774 -33.496 2.674 345 HA PRO 47 HA PRO 47 54.562 -25.956 2.473 346 1HB PRO 47 HB2 PRO 47 55.449 -27.089 -0.151 347 2HB PRO 47 HB3 PRO 47 55.638 -25.415 0.514 348 1HG PRO 47 HG2 PRO 47 57.668 -27.221 0.740 349 2HG PRO 47 HG3 PRO 47 57.238 -26.149 2.112 350 1HD PRO 47 HD2 PRO 47 56.692 -29.064 1.794 351 2HD PRO 47 HD3 PRO 47 56.904 -28.099 3.252 352 H SER 48 H SER 48 53.114 -28.695 0.589 353 HA SER 48 HA SER 48 50.691 -27.078 0.674 354 1HB SER 48 HB2 SER 48 50.156 -27.870 -1.494 355 2HB SER 48 HB3 SER 48 51.787 -27.175 -1.481 356 HG SER 48 HG SER 48 51.691 -29.193 -2.648 357 H ASP 49 H ASP 49 51.475 -28.880 2.686 358 HA ASP 49 HA ASP 49 49.633 -31.139 2.693 359 1HB ASP 49 HB2 ASP 49 51.255 -31.235 4.292 360 2HB ASP 49 HB3 ASP 49 51.135 -29.608 4.839 361 HA PRO 50 HA PRO 50 46.322 -28.361 2.196 362 1HB PRO 50 HB2 PRO 50 44.167 -29.984 2.545 363 2HB PRO 50 HB3 PRO 50 45.251 -29.955 1.092 364 1HG PRO 50 HG2 PRO 50 45.250 -31.863 3.470 365 2HG PRO 50 HG3 PRO 50 45.421 -32.277 1.733 366 1HD PRO 50 HD2 PRO 50 47.571 -31.989 3.467 367 2HD PRO 50 HD3 PRO 50 47.675 -31.601 1.716 368 H THR 51 H THR 51 46.461 -30.112 5.275 369 HA THR 51 HA THR 51 44.514 -28.287 6.617 370 HB THR 51 HB THR 51 46.384 -30.451 7.487 371 HG1 THR 51 HG1 THR 51 44.463 -31.463 8.063 372 1HG2 THR 51 HG21 THR 51 45.384 -30.196 9.787 373 2HG2 THR 51 HG22 THR 51 46.499 -28.903 9.314 374 3HG2 THR 51 HG23 THR 51 44.736 -28.624 9.237 375 H ALA 52 H ALA 52 48.090 -28.718 6.389 376 HA ALA 52 HA ALA 52 48.763 -26.393 7.985 377 1HB ALA 52 HB1 ALA 52 50.905 -26.614 6.729 378 2HB ALA 52 HB2 ALA 52 50.359 -28.243 7.207 379 3HB ALA 52 HB3 ALA 52 50.132 -27.692 5.551 380 H LEU 53 H LEU 53 48.025 -26.717 4.554 381 HA LEU 53 HA LEU 53 48.423 -23.918 4.091 382 1HB LEU 53 HB2 LEU 53 48.756 -25.924 2.608 383 2HB LEU 53 HB3 LEU 53 47.024 -25.991 2.337 384 HG LEU 53 HG LEU 53 47.108 -24.243 0.826 385 1HD1 LEU 53 HD11 LEU 53 49.482 -23.135 2.329 386 2HD1 LEU 53 HD12 LEU 53 48.865 -22.469 0.802 387 3HD1 LEU 53 HD13 LEU 53 47.843 -22.430 2.266 388 1HD2 LEU 53 HD21 LEU 53 48.764 -26.044 0.231 389 2HD2 LEU 53 HD22 LEU 53 49.166 -24.460 -0.487 390 3HD2 LEU 53 HD23 LEU 53 50.060 -25.003 0.956 391 H ALA 54 H ALA 54 45.500 -25.927 4.637 392 HA ALA 54 HA ALA 54 43.579 -23.843 4.449 393 1HB ALA 54 HB1 ALA 54 42.278 -25.360 6.043 394 2HB ALA 54 HB2 ALA 54 42.908 -26.205 4.624 395 3HB ALA 54 HB3 ALA 54 43.730 -26.376 6.191 396 H ASN 55 H ASN 55 45.629 -24.927 7.141 397 HA ASN 55 HA ASN 55 44.629 -23.202 9.127 398 1HB ASN 55 HB2 ASN 55 45.945 -25.185 9.665 399 2HB ASN 55 HB3 ASN 55 47.299 -24.611 8.718 400 1HD2 ASN 55 HD22 ASN 55 48.925 -23.897 9.817 401 2HD2 ASN 55 HD21 ASN 55 48.800 -23.170 11.436 402 H TYR 56 H TYR 56 47.623 -22.920 7.190 403 HA TYR 56 HA TYR 56 48.200 -20.187 7.828 404 1HB TYR 56 HB2 TYR 56 49.818 -21.591 6.813 405 2HB TYR 56 HB3 TYR 56 48.811 -21.911 5.407 406 HD1 TYR 56 HD1 TYR 56 49.122 -20.581 3.456 407 HD2 TYR 56 HD2 TYR 56 50.924 -19.391 7.190 408 HE1 TYR 56 HE1 TYR 56 50.772 -19.189 2.224 409 HE2 TYR 56 HE2 TYR 56 52.548 -17.984 5.960 410 HH TYR 56 HH TYR 56 52.634 -17.840 2.390 411 H GLN 57 H GLN 57 46.041 -21.357 5.199 412 HA GLN 57 HA GLN 57 45.508 -18.676 4.306 413 1HB GLN 57 HB2 GLN 57 43.997 -21.280 3.972 414 2HB GLN 57 HB3 GLN 57 43.346 -19.763 3.370 415 1HG GLN 57 HG2 GLN 57 46.070 -20.878 2.592 416 2HG GLN 57 HG3 GLN 57 44.607 -21.033 1.629 417 1HE2 GLN 57 HE22 GLN 57 47.374 -19.444 1.430 418 2HE2 GLN 57 HE21 GLN 57 46.812 -17.877 0.872 419 H MET 58 H MET 58 43.854 -20.695 6.760 420 HA MET 58 HA MET 58 41.728 -18.848 7.312 421 1HB MET 58 HB2 MET 58 41.597 -21.216 7.798 422 2HB MET 58 HB3 MET 58 42.981 -21.144 8.882 423 1HG MET 58 HG2 MET 58 40.444 -19.582 9.405 424 2HG MET 58 HG3 MET 58 40.588 -21.274 9.853 425 1HE MET 58 HE1 MET 58 41.973 -22.256 11.796 426 2HE MET 58 HE2 MET 58 43.478 -21.718 11.013 427 3HE MET 58 HE3 MET 58 43.187 -21.347 12.721 428 H ILE 59 H ILE 59 44.900 -19.336 8.956 429 HA ILE 59 HA ILE 59 44.491 -17.201 10.843 430 HB ILE 59 HB ILE 59 46.916 -18.718 9.818 431 1HG1 ILE 59 HG12 ILE 59 45.411 -18.911 12.487 432 2HG1 ILE 59 HG13 ILE 59 45.195 -20.031 11.143 433 1HG2 ILE 59 HG21 ILE 59 48.218 -17.860 11.567 434 2HG2 ILE 59 HG22 ILE 59 47.533 -16.449 10.780 435 3HG2 ILE 59 HG23 ILE 59 46.839 -16.994 12.312 436 1HD1 ILE 59 HD11 ILE 59 47.796 -19.620 12.660 437 2HD1 ILE 59 HD12 ILE 59 46.708 -21.008 12.748 438 3HD1 ILE 59 HD13 ILE 59 47.556 -20.640 11.219 439 H MET 60 H MET 60 45.947 -17.401 7.571 440 HA MET 60 HA MET 60 46.882 -14.725 7.569 441 1HB MET 60 HB2 MET 60 47.558 -16.564 5.991 442 2HB MET 60 HB3 MET 60 46.072 -16.247 5.082 443 1HG MET 60 HG2 MET 60 46.866 -13.903 4.778 444 2HG MET 60 HG3 MET 60 48.240 -14.265 5.857 445 1HE MET 60 HE1 MET 60 50.217 -15.261 5.420 446 2HE MET 60 HE2 MET 60 49.591 -16.902 5.065 447 3HE MET 60 HE3 MET 60 50.764 -16.123 3.973 448 H SER 61 H SER 61 43.729 -16.083 6.673 449 HA SER 61 HA SER 61 42.500 -13.711 5.675 450 1HB SER 61 HB2 SER 61 41.526 -16.000 5.563 451 2HB SER 61 HB3 SER 61 41.222 -15.952 7.303 452 HG SER 61 HG SER 61 39.396 -15.306 6.019 453 H GLU 62 H GLU 62 42.719 -14.956 9.062 454 HA GLU 62 HA GLU 62 41.585 -12.603 10.263 455 1HB GLU 62 HB2 GLU 62 43.443 -14.743 11.418 456 2HB GLU 62 HB3 GLU 62 42.667 -13.460 12.358 457 1HG GLU 62 HG2 GLU 62 40.429 -14.308 11.457 458 2HG GLU 62 HG3 GLU 62 41.296 -15.724 10.864 459 H TYR 63 H TYR 63 44.979 -13.465 9.640 460 HA TYR 63 HA TYR 63 46.191 -11.214 10.854 461 1HB TYR 63 HB2 TYR 63 47.467 -13.165 10.154 462 2HB TYR 63 HB3 TYR 63 47.043 -12.908 8.475 463 HD1 TYR 63 HD1 TYR 63 48.403 -11.756 7.039 464 HD2 TYR 63 HD2 TYR 63 48.880 -11.209 11.295 465 HE1 TYR 63 HE1 TYR 63 50.482 -10.509 6.628 466 HE2 TYR 63 HE2 TYR 63 50.971 -9.920 10.885 467 HH TYR 63 HH TYR 63 52.180 -9.279 7.570 468 H ASN 64 H ASN 64 45.095 -11.619 7.489 469 HA ASN 64 HA ASN 64 46.064 -9.065 6.649 470 1HB ASN 64 HB2 ASN 64 45.681 -10.968 5.112 471 2HB ASN 64 HB3 ASN 64 43.942 -10.868 5.396 472 1HD2 ASN 64 HD22 ASN 64 42.865 -9.763 3.773 473 2HD2 ASN 64 HD21 ASN 64 43.589 -8.478 2.819 474 H LEU 65 H LEU 65 42.894 -10.217 7.772 475 HA LEU 65 HA LEU 65 41.399 -7.795 7.472 476 1HB LEU 65 HB2 LEU 65 40.484 -10.055 7.778 477 2HB LEU 65 HB3 LEU 65 41.057 -10.100 9.439 478 HG LEU 65 HG LEU 65 39.064 -8.024 8.420 479 1HD1 LEU 65 HD11 LEU 65 37.297 -9.484 9.332 480 2HD1 LEU 65 HD12 LEU 65 38.178 -10.293 8.032 481 3HD1 LEU 65 HD13 LEU 65 38.511 -10.724 9.723 482 1HD2 LEU 65 HD21 LEU 65 38.342 -8.020 10.842 483 2HD2 LEU 65 HD22 LEU 65 39.746 -9.039 11.222 484 3HD2 LEU 65 HD23 LEU 65 39.958 -7.384 10.606 485 H TYR 66 H TYR 66 43.225 -9.075 10.294 486 HA TYR 66 HA TYR 66 42.738 -6.763 11.899 487 1HB TYR 66 HB2 TYR 66 43.561 -9.092 12.629 488 2HB TYR 66 HB3 TYR 66 45.177 -8.507 12.245 489 HD1 TYR 66 HD1 TYR 66 42.505 -8.581 14.676 490 HD2 TYR 66 HD2 TYR 66 45.929 -6.275 13.423 491 HE1 TYR 66 HE1 TYR 66 42.497 -7.378 16.853 492 HE2 TYR 66 HE2 TYR 66 45.904 -5.059 15.591 493 HH TYR 66 HH TYR 66 43.470 -5.739 18.132 494 H ARG 67 H ARG 67 45.397 -7.477 9.642 495 HA ARG 67 HA ARG 67 46.989 -5.142 10.089 496 1HB ARG 67 HB2 ARG 67 46.485 -6.853 7.628 497 2HB ARG 67 HB3 ARG 67 47.620 -5.516 7.605 498 1HG ARG 67 HG2 ARG 67 47.984 -7.484 9.850 499 2HG ARG 67 HG3 ARG 67 48.272 -8.091 8.220 500 1HD ARG 67 HD2 ARG 67 50.348 -7.309 9.170 501 2HD ARG 67 HD3 ARG 67 49.900 -6.337 7.780 502 HE ARG 67 HE ARG 67 49.424 -4.478 9.173 503 1HH1 ARG 67 HH21 ARG 67 50.563 -7.133 11.188 504 2HH1 ARG 67 HH22 ARG 67 51.307 -6.005 12.325 505 1HH2 ARG 67 HH11 ARG 67 50.225 -3.181 10.834 506 2HH2 ARG 67 HH12 ARG 67 50.988 -3.983 12.208 507 H ASN 68 H ASN 68 44.191 -5.552 7.875 508 HA ASN 68 HA ASN 68 44.054 -2.754 7.125 509 1HB ASN 68 HB2 ASN 68 43.003 -4.581 5.818 510 2HB ASN 68 HB3 ASN 68 41.925 -4.942 7.163 511 1HD2 ASN 68 HD22 ASN 68 39.968 -3.831 7.239 512 2HD2 ASN 68 HD21 ASN 68 39.624 -2.430 6.239 513 H ALA 69 H ALA 69 42.548 -4.549 9.800 514 HA ALA 69 HA ALA 69 41.034 -2.322 10.662 515 1HB ALA 69 HB1 ALA 69 40.638 -3.618 12.708 516 2HB ALA 69 HB2 ALA 69 40.570 -4.697 11.302 517 3HB ALA 69 HB3 ALA 69 42.013 -4.673 12.346 518 H GLN 70 H GLN 70 44.387 -3.241 11.461 519 HA GLN 70 HA GLN 70 44.824 -1.293 13.493 520 1HB GLN 70 HB2 GLN 70 46.357 -3.159 13.063 521 2HB GLN 70 HB3 GLN 70 46.742 -2.516 11.468 522 1HG GLN 70 HG2 GLN 70 48.543 -2.036 13.023 523 2HG GLN 70 HG3 GLN 70 47.811 -0.533 12.486 524 1HE2 GLN 70 HE22 GLN 70 46.359 0.623 14.054 525 2HE2 GLN 70 HE21 GLN 70 46.623 0.329 15.775 526 H SER 71 H SER 71 45.229 -1.018 9.905 527 HA SER 71 HA SER 71 45.980 1.749 9.896 528 1HB SER 71 HB2 SER 71 44.446 0.196 7.773 529 2HB SER 71 HB3 SER 71 45.309 1.725 7.541 530 HG SER 71 HG SER 71 47.257 0.648 8.036 531 H SER 72 H SER 72 42.766 0.172 9.836 532 HA SER 72 HA SER 72 41.246 2.599 9.601 533 1HB SER 72 HB2 SER 72 40.450 -0.071 10.829 534 2HB SER 72 HB3 SER 72 39.347 1.255 10.432 535 HG SER 72 HG SER 72 40.971 -0.243 8.626 536 H ALA 73 H ALA 73 42.341 0.780 12.523 537 HA ALA 73 HA ALA 73 41.151 2.496 14.441 538 1HB ALA 73 HB1 ALA 73 43.721 0.863 14.625 539 2HB ALA 73 HB2 ALA 73 42.785 1.501 15.992 540 3HB ALA 73 HB3 ALA 73 42.078 0.261 14.941 541 H VAL 74 H VAL 74 44.239 2.814 12.689 542 HA VAL 74 HA VAL 74 45.169 5.157 14.085 543 HB VAL 74 HB VAL 74 45.872 3.694 11.533 544 1HG1 VAL 74 HG11 VAL 74 46.312 5.968 10.927 545 2HG1 VAL 74 HG12 VAL 74 47.121 6.282 12.488 546 3HG1 VAL 74 HG13 VAL 74 47.841 5.167 11.297 547 1HG2 VAL 74 HG21 VAL 74 47.459 4.303 14.064 548 2HG2 VAL 74 HG22 VAL 74 46.571 2.798 13.771 549 3HG2 VAL 74 HG23 VAL 74 47.938 3.226 12.732 550 H LYS 75 H LYS 75 43.455 4.770 10.896 551 HA LYS 75 HA LYS 75 43.352 7.610 10.456 552 1HB LYS 75 HB2 LYS 75 42.274 7.163 8.490 553 2HB LYS 75 HB3 LYS 75 43.090 5.623 8.769 554 1HG LYS 75 HG2 LYS 75 40.937 4.747 9.740 555 2HG LYS 75 HG3 LYS 75 40.169 6.281 9.305 556 1HD LYS 75 HD2 LYS 75 40.599 5.870 6.929 557 2HD LYS 75 HD3 LYS 75 41.474 4.382 7.321 558 1HE LYS 75 HE2 LYS 75 39.193 3.875 6.572 559 2HE LYS 75 HE3 LYS 75 39.452 3.357 8.239 560 1HZ LYS 75 HZ1 LYS 75 38.056 5.862 7.447 561 2HZ LYS 75 HZ2 LYS 75 37.319 4.500 7.959 562 3HZ LYS 75 HZ3 LYS 75 38.267 5.343 8.989 563 H SER 76 H SER 76 41.111 5.475 12.110 564 HA SER 76 HA SER 76 39.108 7.645 12.423 565 1HB SER 76 HB2 SER 76 38.883 4.667 12.952 566 2HB SER 76 HB3 SER 76 37.575 5.852 13.032 567 HG SER 76 HG SER 76 37.551 4.779 11.067 568 H MET 77 H MET 77 41.708 6.973 14.285 569 HA MET 77 HA MET 77 40.770 6.405 16.838 570 1HB MET 77 HB2 MET 77 42.750 7.489 17.726 571 2HB MET 77 HB3 MET 77 43.103 6.489 16.341 572 1HG MET 77 HG2 MET 77 44.448 8.323 15.997 573 2HG MET 77 HG3 MET 77 43.099 8.610 14.917 574 1HE MET 77 HE1 MET 77 45.027 9.629 18.134 575 2HE MET 77 HE2 MET 77 44.078 10.979 18.792 576 3HE MET 77 HE3 MET 77 43.450 9.324 18.904 577 H LYS 78 H LYS 78 40.597 9.540 15.251 578 HA LYS 78 HA LYS 78 39.538 11.143 17.339 579 1HB LYS 78 HB2 LYS 78 38.723 12.576 15.486 580 2HB LYS 78 HB3 LYS 78 40.411 12.105 15.312 581 1HG LYS 78 HG2 LYS 78 39.846 10.442 13.608 582 2HG LYS 78 HG3 LYS 78 38.112 10.725 13.843 583 1HD LYS 78 HD2 LYS 78 38.320 13.017 13.056 584 2HD LYS 78 HD3 LYS 78 40.076 12.879 12.924 585 1HE LYS 78 HE2 LYS 78 38.108 11.155 11.341 586 2HE LYS 78 HE3 LYS 78 38.739 12.700 10.766 587 1HZ LYS 78 HZ1 LYS 78 40.088 10.957 9.879 588 2HZ LYS 78 HZ2 LYS 78 41.004 11.752 10.964 589 3HZ LYS 78 HZ3 LYS 78 40.381 10.277 11.323 590 H ASP 79 H ASP 79 38.019 8.518 15.860 591 HA ASP 79 HA ASP 79 35.340 9.266 16.918 592 1HB ASP 79 HB2 ASP 79 35.642 9.416 14.389 593 2HB ASP 79 HB3 ASP 79 35.941 7.681 14.385 594 H ILE 80 H ILE 80 37.774 7.582 17.820 595 HA ILE 80 HA ILE 80 36.216 5.222 18.809 596 HB ILE 80 HB ILE 80 39.182 5.351 18.170 597 1HG1 ILE 80 HG12 ILE 80 37.058 3.507 16.968 598 2HG1 ILE 80 HG13 ILE 80 37.572 4.996 16.199 599 1HG2 ILE 80 HG21 ILE 80 37.551 3.083 19.405 600 2HG2 ILE 80 HG22 ILE 80 39.248 2.960 18.897 601 3HG2 ILE 80 HG23 ILE 80 38.818 4.027 20.217 602 1HD1 ILE 80 HD11 ILE 80 39.309 2.557 16.696 603 2HD1 ILE 80 HD12 ILE 80 38.771 3.228 15.152 604 3HD1 ILE 80 HD13 ILE 80 39.934 4.129 16.142 605 H ASP 81 H ASP 81 38.811 7.595 19.492 606 HA ASP 81 HA ASP 81 38.942 7.199 22.305 607 1HB ASP 81 HB2 ASP 81 40.536 8.513 20.894 608 2HB ASP 81 HB3 ASP 81 39.311 9.770 20.714 609 H SER 82 H SER 82 36.502 8.748 20.347 610 HA SER 82 HA SER 82 35.108 10.149 22.494 611 1HB SER 82 HB2 SER 82 33.461 10.600 20.714 612 2HB SER 82 HB3 SER 82 35.109 10.997 20.194 613 HG SER 82 HG SER 82 33.818 9.776 18.654 614 H SER 83 H SER 83 35.173 6.836 21.548 615 HA SER 83 HA SER 83 32.498 6.318 22.790 616 1HB SER 83 HB2 SER 83 31.955 4.817 20.950 617 2HB SER 83 HB3 SER 83 32.261 6.458 20.359 618 HG SER 83 HG SER 83 33.349 4.992 19.045 619 H ILE 84 H ILE 84 35.778 5.307 22.686 620 HA ILE 84 HA ILE 84 35.638 2.610 23.364 621 HB ILE 84 HB ILE 84 37.694 3.866 22.888 622 1HG1 ILE 84 HG12 ILE 84 39.216 2.887 24.556 623 2HG1 ILE 84 HG13 ILE 84 37.855 2.477 25.591 624 1HG2 ILE 84 HG21 ILE 84 37.227 5.934 24.192 625 2HG2 ILE 84 HG22 ILE 84 37.499 5.029 25.697 626 3HG2 ILE 84 HG23 ILE 84 38.819 5.255 24.536 627 1HD1 ILE 84 HD11 ILE 84 37.002 0.918 23.851 628 2HD1 ILE 84 HD12 ILE 84 38.312 1.423 22.757 629 3HD1 ILE 84 HD13 ILE 84 38.684 0.550 24.256 630 H LEU 85 H LEU 85 35.372 1.401 25.230 631 HA LEU 85 HA LEU 85 33.486 2.363 27.114 632 1HB LEU 85 HB2 LEU 85 33.431 0.248 28.010 633 2HB LEU 85 HB3 LEU 85 33.806 -0.026 26.322 634 HG LEU 85 HG LEU 85 35.787 -0.135 28.643 635 1HD1 LEU 85 HD11 LEU 85 35.759 -2.564 28.268 636 2HD1 LEU 85 HD12 LEU 85 34.151 -1.961 28.693 637 3HD1 LEU 85 HD13 LEU 85 34.524 -2.363 27.002 638 1HD2 LEU 85 HD21 LEU 85 37.317 -1.236 27.027 639 2HD2 LEU 85 HD22 LEU 85 36.174 -0.876 25.709 640 3HD2 LEU 85 HD23 LEU 85 36.993 0.437 26.599 641 H GLU 86 H GLU 86 33.642 2.249 29.469 642 HA GLU 86 HA GLU 86 35.961 3.880 30.375 643 1HB GLU 86 HB2 GLU 86 33.120 3.657 31.439 644 2HB GLU 86 HB3 GLU 86 34.375 4.748 32.049 645 1HG GLU 86 HG2 GLU 86 34.519 5.824 29.802 646 2HG GLU 86 HG3 GLU 86 33.183 4.815 29.246 647 H HIS 87 H HIS 87 35.941 0.882 30.362 648 HA HIS 87 HA HIS 87 36.870 0.419 33.121 649 1HB HIS 87 HB2 HIS 87 34.416 -0.140 33.045 650 2HB HIS 87 HB3 HIS 87 34.755 -1.325 31.786 651 HD1 HIS 87 HD1 HIS 87 36.405 -0.752 35.302 652 HD2 HIS 87 HD2 HIS 87 34.525 -3.659 32.904 653 HE1 HIS 87 HE1 HIS 87 36.523 -2.938 36.603 654 H HIS 88 H HIS 88 37.842 -1.870 33.258 655 HA HIS 88 HA HIS 88 39.634 -2.203 30.894 656 1HB HIS 88 HB2 HIS 88 40.157 -2.585 33.861 657 2HB HIS 88 HB3 HIS 88 41.328 -2.866 32.571 658 HD1 HIS 88 HD1 HIS 88 41.887 -0.549 31.018 659 HD2 HIS 88 HD2 HIS 88 40.111 -0.128 34.812 660 HE1 HIS 88 HE1 HIS 88 42.230 1.882 31.699 661 H HIS 89 H HIS 89 37.188 -3.599 30.932 662 HA HIS 89 HA HIS 89 37.328 -6.276 31.870 663 1HB HIS 89 HB2 HIS 89 35.288 -5.051 31.154 664 2HB HIS 89 HB3 HIS 89 35.841 -5.107 29.481 665 HD1 HIS 89 HD1 HIS 89 34.775 -7.597 32.277 666 HD2 HIS 89 HD2 HIS 89 35.099 -7.206 28.098 667 HE1 HIS 89 HE1 HIS 89 33.693 -9.678 31.281 668 H HIS 90 H HIS 90 38.645 -4.858 28.888 669 HA HIS 90 HA HIS 90 39.263 -7.473 27.692 670 1HB HIS 90 HB2 HIS 90 40.024 -4.669 26.795 671 2HB HIS 90 HB3 HIS 90 40.143 -6.147 25.843 672 HD1 HIS 90 HD1 HIS 90 37.985 -3.310 25.943 673 HD2 HIS 90 HD2 HIS 90 37.402 -7.478 25.905 674 HE1 HIS 90 HE1 HIS 90 35.597 -3.690 25.130 675 H HIS 91 H HIS 91 41.316 -8.259 27.232 676 HA HIS 91 HA HIS 91 43.736 -7.036 28.434 677 1HB HIS 91 HB2 HIS 91 42.749 -9.869 28.997 678 2HB HIS 91 HB3 HIS 91 44.362 -9.280 29.375 679 HD1 HIS 91 HD1 HIS 91 44.595 -7.624 31.499 680 HD2 HIS 91 HD2 HIS 91 40.756 -9.136 30.664 681 HE1 HIS 91 HE1 HIS 91 43.189 -7.188 33.580 682 H HIS 92 H HIS 92 45.710 -8.071 27.637 683 HA HIS 92 HA HIS 92 45.550 -9.616 25.097 684 1HB HIS 92 HB2 HIS 92 46.963 -6.951 25.524 685 2HB HIS 92 HB3 HIS 92 47.428 -8.085 24.267 686 HD1 HIS 92 HD1 HIS 92 43.752 -8.153 24.350 687 HD2 HIS 92 HD2 HIS 92 46.797 -5.696 22.815 688 HE1 HIS 92 HE1 HIS 92 42.678 -6.766 22.488 Start of MODEL 4 1 1H MET 1 H1 MET 1 33.132 22.753 12.366 2 2H MET 1 H2 MET 1 34.585 22.373 11.703 3 3H MET 1 H3 MET 1 33.431 23.096 10.798 4 HA MET 1 HA MET 1 33.542 20.810 10.197 5 1HB MET 1 HB2 MET 1 33.161 19.021 11.733 6 2HB MET 1 HB3 MET 1 34.487 20.000 12.339 7 1HG MET 1 HG2 MET 1 32.871 21.107 13.932 8 2HG MET 1 HG3 MET 1 31.618 19.996 13.364 9 1HE MET 1 HE1 MET 1 31.084 19.266 15.815 10 2HE MET 1 HE2 MET 1 32.326 18.769 16.988 11 3HE MET 1 HE3 MET 1 32.303 20.435 16.372 12 H SER 2 H SER 2 31.692 19.845 9.316 13 HA SER 2 HA SER 2 29.263 21.435 9.456 14 1HB SER 2 HB2 SER 2 28.470 19.784 7.758 15 2HB SER 2 HB3 SER 2 30.003 20.568 7.343 16 HG SER 2 HG SER 2 30.062 18.288 6.998 17 H ASN 3 H ASN 3 30.237 18.314 10.812 18 HA ASN 3 HA ASN 3 27.596 17.362 11.392 19 1HB ASN 3 HB2 ASN 3 28.797 15.615 12.669 20 2HB ASN 3 HB3 ASN 3 29.469 15.854 11.063 21 1HD2 ASN 3 HD22 ASN 3 30.076 16.360 14.560 22 2HD2 ASN 3 HD21 ASN 3 31.784 16.700 14.320 23 HA PRO 4 HA PRO 4 26.645 19.103 15.447 24 1HB PRO 4 HB2 PRO 4 25.863 16.287 16.166 25 2HB PRO 4 HB3 PRO 4 24.938 17.798 16.396 26 1HG PRO 4 HG2 PRO 4 24.309 16.091 14.376 27 2HG PRO 4 HG3 PRO 4 24.307 17.863 14.108 28 1HD PRO 4 HD2 PRO 4 26.440 15.853 13.355 29 2HD PRO 4 HD3 PRO 4 25.771 17.224 12.421 30 HA PRO 5 HA PRO 5 30.226 18.164 17.735 31 1HB PRO 5 HB2 PRO 5 29.771 19.167 20.229 32 2HB PRO 5 HB3 PRO 5 29.775 20.189 18.761 33 1HG PRO 5 HG2 PRO 5 27.370 18.966 20.160 34 2HG PRO 5 HG3 PRO 5 27.611 20.676 19.674 35 1HD PRO 5 HD2 PRO 5 26.229 18.926 18.109 36 2HD PRO 5 HD3 PRO 5 27.297 20.171 17.391 37 H THR 6 H THR 6 27.412 16.447 19.042 38 HA THR 6 HA THR 6 28.879 15.217 21.226 39 HB THR 6 HB THR 6 26.985 13.877 21.644 40 HG1 THR 6 HG1 THR 6 25.120 14.103 20.320 41 1HG2 THR 6 HG21 THR 6 26.961 16.239 22.421 42 2HG2 THR 6 HG22 THR 6 26.069 16.705 20.955 43 3HG2 THR 6 HG23 THR 6 25.334 15.598 22.135 44 HA PRO 7 HA PRO 7 30.984 11.859 19.517 45 1HB PRO 7 HB2 PRO 7 29.773 10.110 21.656 46 2HB PRO 7 HB3 PRO 7 31.493 10.339 21.213 47 1HG PRO 7 HG2 PRO 7 30.452 11.550 23.418 48 2HG PRO 7 HG3 PRO 7 31.595 12.423 22.347 49 1HD PRO 7 HD2 PRO 7 28.574 12.630 22.433 50 2HD PRO 7 HD3 PRO 7 29.773 13.904 22.337 51 H LEU 8 H LEU 8 27.624 11.046 20.376 52 HA LEU 8 HA LEU 8 27.234 8.772 18.742 53 1HB LEU 8 HB2 LEU 8 25.817 9.538 20.634 54 2HB LEU 8 HB3 LEU 8 25.288 10.922 19.680 55 HG LEU 8 HG LEU 8 24.126 9.411 18.099 56 1HD1 LEU 8 HD11 LEU 8 25.503 7.375 18.274 57 2HD1 LEU 8 HD12 LEU 8 25.045 7.188 19.984 58 3HD1 LEU 8 HD13 LEU 8 23.830 7.011 18.698 59 1HD2 LEU 8 HD21 LEU 8 22.946 10.295 20.069 60 2HD2 LEU 8 HD22 LEU 8 22.351 8.689 19.622 61 3HD2 LEU 8 HD23 LEU 8 23.441 8.871 21.014 62 H LEU 9 H LEU 9 27.489 12.095 17.812 63 HA LEU 9 HA LEU 9 26.421 11.583 15.064 64 1HB LEU 9 HB2 LEU 9 26.280 14.086 16.784 65 2HB LEU 9 HB3 LEU 9 25.655 13.942 15.139 66 HG LEU 9 HG LEU 9 24.606 12.402 17.560 67 1HD1 LEU 9 HD11 LEU 9 22.657 13.842 17.392 68 2HD1 LEU 9 HD12 LEU 9 24.111 14.824 17.626 69 3HD1 LEU 9 HD13 LEU 9 23.366 14.707 16.014 70 1HD2 LEU 9 HD21 LEU 9 23.554 12.569 14.699 71 2HD2 LEU 9 HD22 LEU 9 24.236 11.126 15.482 72 3HD2 LEU 9 HD23 LEU 9 22.717 11.804 16.070 73 H ALA 10 H ALA 10 29.248 11.750 16.488 74 HA ALA 10 HA ALA 10 30.610 13.250 14.299 75 1HB ALA 10 HB1 ALA 10 30.409 14.649 16.367 76 2HB ALA 10 HB2 ALA 10 31.275 13.392 17.274 77 3HB ALA 10 HB3 ALA 10 32.092 14.266 15.961 78 H ASP 11 H ASP 11 30.138 10.277 15.098 79 HA ASP 11 HA ASP 11 32.445 9.105 16.128 80 1HB ASP 11 HB2 ASP 11 31.524 7.023 15.454 81 2HB ASP 11 HB3 ASP 11 30.197 8.067 15.944 82 H TYR 12 H TYR 12 32.120 10.306 12.869 83 HA TYR 12 HA TYR 12 34.151 8.780 11.567 84 1HB TYR 12 HB2 TYR 12 32.570 10.298 10.432 85 2HB TYR 12 HB3 TYR 12 33.319 11.684 11.215 86 HD1 TYR 12 HD1 TYR 12 34.041 8.818 8.895 87 HD2 TYR 12 HD2 TYR 12 35.156 12.788 10.175 88 HE1 TYR 12 HE1 TYR 12 35.661 8.970 7.010 89 HE2 TYR 12 HE2 TYR 12 36.774 12.938 8.283 90 HH TYR 12 HH TYR 12 37.233 10.255 5.949 91 H GLU 13 H GLU 13 34.400 11.410 13.918 92 HA GLU 13 HA GLU 13 37.251 11.889 13.550 93 1HB GLU 13 HB2 GLU 13 35.518 13.498 14.506 94 2HB GLU 13 HB3 GLU 13 35.489 12.498 15.956 95 1HG GLU 13 HG2 GLU 13 36.900 14.415 16.329 96 2HG GLU 13 HG3 GLU 13 37.900 12.975 16.334 97 H TRP 14 H TRP 14 35.378 9.509 15.344 98 HA TRP 14 HA TRP 14 37.324 8.868 17.345 99 1HB TRP 14 HB2 TRP 14 34.883 8.277 17.391 100 2HB TRP 14 HB3 TRP 14 35.215 7.030 16.189 101 HD1 TRP 14 HD1 TRP 14 35.408 4.753 17.241 102 HE1 TRP 14 HE1 TRP 14 36.259 3.744 19.445 103 HE3 TRP 14 HE3 TRP 14 36.821 9.070 19.630 104 HZ2 TRP 14 HZ2 TRP 14 37.505 4.673 21.874 105 HZ3 TRP 14 HZ3 TRP 14 37.861 8.970 21.878 106 HH2 TRP 14 HH2 TRP 14 38.215 6.786 23.008 107 H SER 15 H SER 15 37.119 7.925 13.966 108 HA SER 15 HA SER 15 38.938 5.766 13.897 109 1HB SER 15 HB2 SER 15 38.592 8.017 11.888 110 2HB SER 15 HB3 SER 15 39.396 6.465 11.585 111 HG SER 15 HG SER 15 37.182 6.483 10.910 112 H GLY 16 H GLY 16 39.619 9.200 14.407 113 1HA GLY 16 HA2 GLY 16 42.496 9.056 13.966 114 2HA GLY 16 HA3 GLY 16 41.599 10.331 14.807 115 H TYR 17 H TYR 17 40.389 8.907 16.876 116 HA TYR 17 HA TYR 17 42.524 8.487 18.774 117 1HB TYR 17 HB2 TYR 17 39.545 7.910 18.889 118 2HB TYR 17 HB3 TYR 17 40.639 7.684 20.241 119 HD1 TYR 17 HD1 TYR 17 38.955 10.214 18.119 120 HD2 TYR 17 HD2 TYR 17 41.658 9.570 21.422 121 HE1 TYR 17 HE1 TYR 17 38.721 12.598 18.770 122 HE2 TYR 17 HE2 TYR 17 41.427 11.968 22.068 123 HH TYR 17 HH TYR 17 39.348 14.244 20.238 124 H LEU 18 H LEU 18 40.435 6.249 16.960 125 HA LEU 18 HA LEU 18 41.513 3.801 17.991 126 1HB LEU 18 HB2 LEU 18 40.202 4.523 15.353 127 2HB LEU 18 HB3 LEU 18 40.691 2.882 15.745 128 HG LEU 18 HG LEU 18 38.720 4.490 17.429 129 1HD1 LEU 18 HD11 LEU 18 38.244 2.336 15.323 130 2HD1 LEU 18 HD12 LEU 18 37.005 3.028 16.391 131 3HD1 LEU 18 HD13 LEU 18 37.803 4.054 15.193 132 1HD2 LEU 18 HD21 LEU 18 39.483 1.536 17.428 133 2HD2 LEU 18 HD22 LEU 18 39.791 2.707 18.731 134 3HD2 LEU 18 HD23 LEU 18 38.136 2.243 18.344 135 H THR 19 H THR 19 42.607 5.827 15.233 136 HA THR 19 HA THR 19 44.843 4.149 14.523 137 HB THR 19 HB THR 19 44.502 7.154 14.168 138 HG1 THR 19 HG1 THR 19 42.914 6.045 13.100 139 1HG2 THR 19 HG21 THR 19 46.083 6.846 12.260 140 2HG2 THR 19 HG22 THR 19 46.851 6.566 13.826 141 3HG2 THR 19 HG23 THR 19 46.390 5.182 12.808 142 H GLY 20 H GLY 20 44.529 6.834 16.832 143 1HA GLY 20 HA2 GLY 20 47.241 7.060 17.633 144 2HA GLY 20 HA3 GLY 20 45.832 7.538 18.585 145 H ILE 21 H ILE 21 44.582 5.263 19.326 146 HA ILE 21 HA ILE 21 46.423 3.978 21.165 147 HB ILE 21 HB ILE 21 43.990 4.476 21.585 148 1HG1 ILE 21 HG12 ILE 21 44.842 1.605 22.153 149 2HG1 ILE 21 HG13 ILE 21 45.456 3.022 23.008 150 1HG2 ILE 21 HG21 ILE 21 42.266 2.967 20.853 151 2HG2 ILE 21 HG22 ILE 21 43.151 3.473 19.416 152 3HG2 ILE 21 HG23 ILE 21 43.441 1.866 20.104 153 1HD1 ILE 21 HD11 ILE 21 43.709 1.987 24.322 154 2HD1 ILE 21 HD12 ILE 21 43.136 3.566 23.750 155 3HD1 ILE 21 HD13 ILE 21 42.563 2.068 22.975 156 H GLY 22 H GLY 22 45.417 3.220 17.922 157 1HA GLY 22 HA2 GLY 22 45.671 0.520 17.613 158 2HA GLY 22 HA3 GLY 22 46.242 1.702 16.430 159 H ARG 23 H ARG 23 48.474 2.777 17.762 160 HA ARG 23 HA ARG 23 50.451 0.694 17.371 161 1HB ARG 23 HB2 ARG 23 50.776 3.079 16.787 162 2HB ARG 23 HB3 ARG 23 50.749 3.509 18.495 163 1HG ARG 23 HG2 ARG 23 53.013 3.452 17.538 164 2HG ARG 23 HG3 ARG 23 52.847 2.331 18.885 165 1HD ARG 23 HD2 ARG 23 52.760 0.421 17.385 166 2HD ARG 23 HD3 ARG 23 52.642 1.479 15.966 167 HE ARG 23 HE ARG 23 54.960 2.350 16.927 168 1HH1 ARG 23 HH21 ARG 23 54.052 -1.097 16.637 169 2HH1 ARG 23 HH22 ARG 23 55.720 -1.529 16.440 170 1HH2 ARG 23 HH11 ARG 23 57.007 1.626 16.688 171 2HH2 ARG 23 HH12 ARG 23 57.323 -0.068 16.472 172 H ALA 24 H ALA 24 48.781 1.751 20.251 173 HA ALA 24 HA ALA 24 50.617 0.269 22.057 174 1HB ALA 24 HB1 ALA 24 49.044 0.952 23.804 175 2HB ALA 24 HB2 ALA 24 49.528 2.364 22.846 176 3HB ALA 24 HB3 ALA 24 47.933 1.618 22.591 177 H PHE 25 H PHE 25 47.445 -0.140 20.545 178 HA PHE 25 HA PHE 25 46.955 -2.668 21.758 179 1HB PHE 25 HB2 PHE 25 45.160 -1.313 20.807 180 2HB PHE 25 HB3 PHE 25 45.908 -1.343 19.219 181 HD1 PHE 25 HD1 PHE 25 45.452 -3.087 17.657 182 HD2 PHE 25 HD2 PHE 25 44.215 -3.499 21.769 183 HE1 PHE 25 HE1 PHE 25 44.104 -5.081 17.053 184 HE2 PHE 25 HE2 PHE 25 42.868 -5.499 21.160 185 HZ PHE 25 HZ PHE 25 42.810 -6.290 18.801 186 H ASP 26 H ASP 26 48.559 -1.800 18.721 187 HA ASP 26 HA ASP 26 49.120 -4.193 17.465 188 1HB ASP 26 HB2 ASP 26 49.744 -2.083 16.551 189 2HB ASP 26 HB3 ASP 26 50.727 -1.681 17.953 190 H ASP 27 H ASP 27 50.877 -2.931 20.353 191 HA ASP 27 HA ASP 27 52.766 -5.071 20.419 192 1HB ASP 27 HB2 ASP 27 52.942 -2.778 21.506 193 2HB ASP 27 HB3 ASP 27 51.895 -3.396 22.787 194 H GLY 28 H GLY 28 49.472 -5.218 21.054 195 1HA GLY 28 HA2 GLY 28 49.670 -7.739 22.660 196 2HA GLY 28 HA3 GLY 28 48.263 -6.676 22.581 197 H VAL 29 H VAL 29 49.298 -6.705 19.443 198 HA VAL 29 HA VAL 29 48.009 -9.309 18.737 199 HB VAL 29 HB VAL 29 47.144 -8.272 16.646 200 1HG1 VAL 29 HG11 VAL 29 45.783 -8.872 18.627 201 2HG1 VAL 29 HG12 VAL 29 45.974 -7.212 19.236 202 3HG1 VAL 29 HG13 VAL 29 45.120 -7.510 17.703 203 1HG2 VAL 29 HG21 VAL 29 46.716 -5.933 16.492 204 2HG2 VAL 29 HG22 VAL 29 47.507 -5.629 18.045 205 3HG2 VAL 29 HG23 VAL 29 48.464 -6.187 16.644 206 H LYS 30 H LYS 30 50.909 -7.702 18.579 207 HA LYS 30 HA LYS 30 52.075 -8.643 16.197 208 1HB LYS 30 HB2 LYS 30 54.169 -8.504 17.356 209 2HB LYS 30 HB3 LYS 30 53.130 -7.230 17.991 210 1HG LYS 30 HG2 LYS 30 52.549 -8.999 19.874 211 2HG LYS 30 HG3 LYS 30 54.009 -9.818 19.315 212 1HD LYS 30 HD2 LYS 30 53.746 -7.028 20.473 213 2HD LYS 30 HD3 LYS 30 54.494 -8.426 21.237 214 1HE LYS 30 HE2 LYS 30 56.278 -8.386 19.472 215 2HE LYS 30 HE3 LYS 30 55.512 -6.951 18.769 216 1HZ LYS 30 HZ1 LYS 30 56.704 -7.144 21.479 217 2HZ LYS 30 HZ2 LYS 30 57.240 -6.219 20.245 218 3HZ LYS 30 HZ3 LYS 30 55.821 -5.863 20.999 219 H ASP 31 H ASP 31 51.006 -10.454 18.940 220 HA ASP 31 HA ASP 31 52.059 -13.026 18.556 221 1HB ASP 31 HB2 ASP 31 50.760 -12.215 20.507 222 2HB ASP 31 HB3 ASP 31 49.307 -12.113 19.511 223 H LEU 32 H LEU 32 49.354 -11.475 16.821 224 HA LEU 32 HA LEU 32 48.300 -13.857 15.607 225 1HB LEU 32 HB2 LEU 32 47.402 -11.357 15.889 226 2HB LEU 32 HB3 LEU 32 48.228 -11.075 14.379 227 HG LEU 32 HG LEU 32 45.798 -12.788 14.969 228 1HD1 LEU 32 HD11 LEU 32 44.831 -11.384 13.179 229 2HD1 LEU 32 HD12 LEU 32 45.524 -10.386 14.467 230 3HD1 LEU 32 HD13 LEU 32 46.403 -10.584 12.937 231 1HD2 LEU 32 HD21 LEU 32 47.057 -14.254 13.505 232 2HD2 LEU 32 HD22 LEU 32 45.752 -13.509 12.591 233 3HD2 LEU 32 HD23 LEU 32 47.415 -12.909 12.398 234 H ASN 33 H ASN 33 50.686 -11.450 14.547 235 HA ASN 33 HA ASN 33 51.307 -12.637 11.991 236 1HB ASN 33 HB2 ASN 33 51.906 -10.312 12.603 237 2HB ASN 33 HB3 ASN 33 53.019 -10.905 13.833 238 1HD2 ASN 33 HD22 ASN 33 55.132 -11.388 13.194 239 2HD2 ASN 33 HD21 ASN 33 55.628 -11.408 11.510 240 H LYS 34 H LYS 34 52.541 -13.246 15.267 241 HA LYS 34 HA LYS 34 54.499 -15.200 14.424 242 1HB LYS 34 HB2 LYS 34 54.466 -13.873 16.633 243 2HB LYS 34 HB3 LYS 34 53.230 -15.000 17.184 244 1HG LYS 34 HG2 LYS 34 55.343 -15.725 18.042 245 2HG LYS 34 HG3 LYS 34 54.847 -16.894 16.817 246 1HD LYS 34 HD2 LYS 34 56.385 -15.798 15.175 247 2HD LYS 34 HD3 LYS 34 56.855 -14.621 16.417 248 1HE LYS 34 HE2 LYS 34 57.738 -16.476 17.814 249 2HE LYS 34 HE3 LYS 34 57.218 -17.645 16.590 250 1HZ LYS 34 HZ1 LYS 34 59.257 -15.524 16.189 251 2HZ LYS 34 HZ2 LYS 34 59.547 -17.128 16.274 252 3HZ LYS 34 HZ3 LYS 34 58.714 -16.508 15.002 253 H GLN 35 H GLN 35 51.112 -15.515 15.448 254 HA GLN 35 HA GLN 35 50.938 -18.381 15.297 255 1HB GLN 35 HB2 GLN 35 48.833 -16.245 14.721 256 2HB GLN 35 HB3 GLN 35 48.521 -17.975 14.728 257 1HG GLN 35 HG2 GLN 35 49.187 -18.111 17.092 258 2HG GLN 35 HG3 GLN 35 49.494 -16.381 17.128 259 1HE2 GLN 35 HE22 GLN 35 47.814 -15.540 18.429 260 2HE2 GLN 35 HE21 GLN 35 46.114 -15.899 18.113 261 H LEU 36 H LEU 36 50.590 -15.872 12.795 262 HA LEU 36 HA LEU 36 50.015 -17.718 10.652 263 1HB LEU 36 HB2 LEU 36 49.431 -15.312 10.715 264 2HB LEU 36 HB3 LEU 36 51.139 -14.948 10.439 265 HG LEU 36 HG LEU 36 51.076 -16.237 8.312 266 1HD1 LEU 36 HD11 LEU 36 48.091 -16.547 8.813 267 2HD1 LEU 36 HD12 LEU 36 48.895 -16.821 7.280 268 3HD1 LEU 36 HD13 LEU 36 49.250 -17.884 8.659 269 1HD2 LEU 36 HD21 LEU 36 48.770 -14.314 8.618 270 2HD2 LEU 36 HD22 LEU 36 50.472 -13.797 8.542 271 3HD2 LEU 36 HD23 LEU 36 49.721 -14.572 7.143 272 H GLN 37 H GLN 37 53.100 -16.300 11.809 273 HA GLN 37 HA GLN 37 54.724 -17.624 9.839 274 1HB GLN 37 HB2 GLN 37 55.454 -15.703 11.297 275 2HB GLN 37 HB3 GLN 37 55.440 -16.785 12.695 276 1HG GLN 37 HG2 GLN 37 57.204 -18.185 11.610 277 2HG GLN 37 HG3 GLN 37 57.191 -17.104 10.215 278 1HE2 GLN 37 HE22 GLN 37 58.622 -15.328 10.306 279 2HE2 GLN 37 HE21 GLN 37 59.440 -14.840 11.783 280 H ASP 38 H ASP 38 53.480 -18.712 13.005 281 HA ASP 38 HA ASP 38 54.795 -21.280 12.941 282 1HB ASP 38 HB2 ASP 38 53.817 -20.284 14.988 283 2HB ASP 38 HB3 ASP 38 52.201 -20.505 14.321 284 H ALA 39 H ALA 39 51.647 -20.179 11.637 285 HA ALA 39 HA ALA 39 50.898 -22.711 10.542 286 1HB ALA 39 HB1 ALA 39 50.260 -20.209 8.973 287 2HB ALA 39 HB2 ALA 39 49.264 -21.632 9.325 288 3HB ALA 39 HB3 ALA 39 49.559 -20.360 10.578 289 H GLN 40 H GLN 40 52.811 -20.069 9.188 290 HA GLN 40 HA GLN 40 53.382 -21.269 6.665 291 1HB GLN 40 HB2 GLN 40 53.603 -18.783 7.525 292 2HB GLN 40 HB3 GLN 40 55.168 -19.282 8.144 293 1HG GLN 40 HG2 GLN 40 55.881 -19.962 5.870 294 2HG GLN 40 HG3 GLN 40 54.313 -19.488 5.220 295 1HE2 GLN 40 HE22 GLN 40 57.115 -18.450 4.644 296 2HE2 GLN 40 HE21 GLN 40 56.982 -16.721 4.937 297 H ALA 41 H ALA 41 54.934 -21.703 9.822 298 HA ALA 41 HA ALA 41 57.102 -23.344 8.686 299 1HB ALA 41 HB1 ALA 41 57.480 -22.011 10.693 300 2HB ALA 41 HB2 ALA 41 56.251 -22.967 11.571 301 3HB ALA 41 HB3 ALA 41 57.744 -23.743 10.967 302 H ASN 42 H ASN 42 53.919 -24.117 10.159 303 HA ASN 42 HA ASN 42 54.400 -26.988 9.945 304 1HB ASN 42 HB2 ASN 42 51.756 -25.393 10.009 305 2HB ASN 42 HB3 ASN 42 51.883 -27.111 9.854 306 1HD2 ASN 42 HD22 ASN 42 52.794 -24.465 12.126 307 2HD2 ASN 42 HD21 ASN 42 52.686 -25.513 13.523 308 H LEU 43 H LEU 43 53.251 -24.422 7.772 309 HA LEU 43 HA LEU 43 53.027 -26.108 5.492 310 1HB LEU 43 HB2 LEU 43 52.138 -23.599 6.054 311 2HB LEU 43 HB3 LEU 43 53.653 -23.157 5.292 312 HG LEU 43 HG LEU 43 53.059 -24.532 3.343 313 1HD1 LEU 43 HD11 LEU 43 50.537 -24.694 5.028 314 2HD1 LEU 43 HD12 LEU 43 50.493 -24.967 3.246 315 3HD1 LEU 43 HD13 LEU 43 51.412 -26.058 4.245 316 1HD2 LEU 43 HD21 LEU 43 52.606 -22.119 3.279 317 2HD2 LEU 43 HD22 LEU 43 51.400 -23.071 2.380 318 3HD2 LEU 43 HD23 LEU 43 50.989 -22.417 3.989 319 H THR 44 H THR 44 55.802 -24.294 6.824 320 HA THR 44 HA THR 44 57.450 -24.709 4.559 321 HB THR 44 HB THR 44 58.240 -24.446 7.473 322 HG1 THR 44 HG1 THR 44 57.302 -22.634 6.340 323 1HG2 THR 44 HG21 THR 44 60.495 -23.877 6.504 324 2HG2 THR 44 HG22 THR 44 60.029 -25.592 6.509 325 3HG2 THR 44 HG23 THR 44 59.919 -24.663 4.987 326 H LYS 45 H LYS 45 56.824 -26.766 7.357 327 HA LYS 45 HA LYS 45 58.609 -28.937 6.703 328 1HB LYS 45 HB2 LYS 45 56.011 -28.760 8.256 329 2HB LYS 45 HB3 LYS 45 56.985 -30.236 8.159 330 1HG LYS 45 HG2 LYS 45 58.875 -29.075 9.228 331 2HG LYS 45 HG3 LYS 45 57.920 -27.581 9.296 332 1HD LYS 45 HD2 LYS 45 56.171 -28.845 10.625 333 2HD LYS 45 HD3 LYS 45 57.308 -30.196 10.745 334 1HE LYS 45 HE2 LYS 45 57.870 -27.334 11.633 335 2HE LYS 45 HE3 LYS 45 57.238 -28.586 12.710 336 1HZ LYS 45 HZ1 LYS 45 59.866 -28.725 11.323 337 2HZ LYS 45 HZ2 LYS 45 59.649 -28.408 12.907 338 3HZ LYS 45 HZ3 LYS 45 59.263 -29.876 12.317 339 H ASN 46 H ASN 46 55.343 -28.244 5.513 340 HA ASN 46 HA ASN 46 55.907 -29.880 3.205 341 1HB ASN 46 HB2 ASN 46 54.937 -31.433 4.863 342 2HB ASN 46 HB3 ASN 46 53.531 -30.399 4.916 343 1HD2 ASN 46 HD22 ASN 46 53.627 -33.242 4.133 344 2HD2 ASN 46 HD21 ASN 46 53.249 -33.348 2.420 345 HA PRO 47 HA PRO 47 54.483 -25.698 2.237 346 1HB PRO 47 HB2 PRO 47 55.324 -26.757 -0.430 347 2HB PRO 47 HB3 PRO 47 55.452 -25.082 0.252 348 1HG PRO 47 HG2 PRO 47 57.580 -26.792 0.355 349 2HG PRO 47 HG3 PRO 47 57.173 -25.736 1.745 350 1HD PRO 47 HD2 PRO 47 56.776 -28.674 1.474 351 2HD PRO 47 HD3 PRO 47 56.981 -27.681 2.914 352 H SER 48 H SER 48 53.118 -28.515 0.403 353 HA SER 48 HA SER 48 50.617 -27.038 0.621 354 1HB SER 48 HB2 SER 48 50.015 -27.814 -1.524 355 2HB SER 48 HB3 SER 48 51.620 -27.064 -1.595 356 HG SER 48 HG SER 48 51.506 -29.078 -2.777 357 H ASP 49 H ASP 49 51.602 -28.820 2.565 358 HA ASP 49 HA ASP 49 49.885 -31.177 2.619 359 1HB ASP 49 HB2 ASP 49 51.600 -31.195 4.143 360 2HB ASP 49 HB3 ASP 49 51.373 -29.605 4.751 361 HA PRO 50 HA PRO 50 46.384 -28.623 2.380 362 1HB PRO 50 HB2 PRO 50 44.359 -30.369 2.852 363 2HB PRO 50 HB3 PRO 50 45.354 -30.280 1.339 364 1HG PRO 50 HG2 PRO 50 45.618 -32.172 3.718 365 2HG PRO 50 HG3 PRO 50 45.692 -32.589 1.975 366 1HD PRO 50 HD2 PRO 50 47.935 -32.167 3.549 367 2HD PRO 50 HD3 PRO 50 47.895 -31.771 1.798 368 H THR 51 H THR 51 46.761 -30.395 5.446 369 HA THR 51 HA THR 51 44.823 -28.664 6.906 370 HB THR 51 HB THR 51 46.948 -30.624 7.685 371 HG1 THR 51 HG1 THR 51 44.138 -30.691 8.051 372 1HG2 THR 51 HG21 THR 51 46.017 -30.463 10.021 373 2HG2 THR 51 HG22 THR 51 46.983 -29.075 9.489 374 3HG2 THR 51 HG23 THR 51 45.200 -28.963 9.491 375 H ALA 52 H ALA 52 48.408 -28.863 6.486 376 HA ALA 52 HA ALA 52 49.018 -26.487 8.015 377 1HB ALA 52 HB1 ALA 52 50.683 -28.236 7.150 378 2HB ALA 52 HB2 ALA 52 50.314 -27.729 5.506 379 3HB ALA 52 HB3 ALA 52 51.088 -26.584 6.617 380 H LEU 53 H LEU 53 48.108 -26.868 4.635 381 HA LEU 53 HA LEU 53 48.301 -24.052 4.162 382 1HB LEU 53 HB2 LEU 53 48.683 -26.030 2.664 383 2HB LEU 53 HB3 LEU 53 46.947 -26.215 2.482 384 HG LEU 53 HG LEU 53 46.843 -24.476 0.963 385 1HD1 LEU 53 HD11 LEU 53 49.199 -23.191 2.353 386 2HD1 LEU 53 HD12 LEU 53 48.461 -22.581 0.856 387 3HD1 LEU 53 HD13 LEU 53 47.509 -22.615 2.365 388 1HD2 LEU 53 HD21 LEU 53 48.844 -24.560 -0.447 389 2HD2 LEU 53 HD22 LEU 53 49.842 -25.037 0.950 390 3HD2 LEU 53 HD23 LEU 53 48.583 -26.163 0.294 391 H ALA 54 H ALA 54 45.536 -26.234 4.858 392 HA ALA 54 HA ALA 54 43.476 -24.288 4.779 393 1HB ALA 54 HB1 ALA 54 43.899 -26.797 6.508 394 2HB ALA 54 HB2 ALA 54 42.372 -25.886 6.440 395 3HB ALA 54 HB3 ALA 54 42.986 -26.686 4.987 396 H ASN 55 H ASN 55 45.740 -25.210 7.354 397 HA ASN 55 HA ASN 55 44.726 -23.566 9.405 398 1HB ASN 55 HB2 ASN 55 46.197 -25.457 9.854 399 2HB ASN 55 HB3 ASN 55 47.451 -24.794 8.830 400 1HD2 ASN 55 HD22 ASN 55 49.103 -24.045 9.860 401 2HD2 ASN 55 HD21 ASN 55 49.039 -23.347 11.490 402 H TYR 56 H TYR 56 47.584 -23.109 7.317 403 HA TYR 56 HA TYR 56 48.067 -20.343 7.872 404 1HB TYR 56 HB2 TYR 56 49.666 -21.712 6.755 405 2HB TYR 56 HB3 TYR 56 48.555 -22.120 5.462 406 HD1 TYR 56 HD1 TYR 56 48.333 -20.695 3.530 407 HD2 TYR 56 HD2 TYR 56 50.905 -19.608 6.821 408 HE1 TYR 56 HE1 TYR 56 49.686 -19.256 2.008 409 HE2 TYR 56 HE2 TYR 56 52.232 -18.156 5.308 410 HH TYR 56 HH TYR 56 52.567 -17.455 3.146 411 H GLN 57 H GLN 57 45.799 -21.647 5.409 412 HA GLN 57 HA GLN 57 45.047 -19.015 4.534 413 1HB GLN 57 HB2 GLN 57 43.667 -21.710 4.355 414 2HB GLN 57 HB3 GLN 57 42.896 -20.247 3.762 415 1HG GLN 57 HG2 GLN 57 45.622 -21.228 2.828 416 2HG GLN 57 HG3 GLN 57 44.109 -21.529 1.983 417 1HE2 GLN 57 HE22 GLN 57 46.558 -20.044 1.069 418 2HE2 GLN 57 HE21 GLN 57 45.961 -18.446 0.651 419 H MET 58 H MET 58 43.687 -21.094 7.123 420 HA MET 58 HA MET 58 41.498 -19.376 7.802 421 1HB MET 58 HB2 MET 58 41.595 -21.740 8.379 422 2HB MET 58 HB3 MET 58 43.019 -21.467 9.395 423 1HG MET 58 HG2 MET 58 41.619 -20.018 10.888 424 2HG MET 58 HG3 MET 58 40.232 -20.364 9.854 425 1HE MET 58 HE1 MET 58 42.716 -21.631 12.564 426 2HE MET 58 HE2 MET 58 42.319 -23.354 12.725 427 3HE MET 58 HE3 MET 58 43.152 -22.774 11.272 428 H ILE 59 H ILE 59 44.810 -19.630 9.202 429 HA ILE 59 HA ILE 59 44.414 -17.499 11.117 430 HB ILE 59 HB ILE 59 46.852 -18.889 9.937 431 1HG1 ILE 59 HG12 ILE 59 45.541 -19.179 12.696 432 2HG1 ILE 59 HG13 ILE 59 45.289 -20.312 11.370 433 1HG2 ILE 59 HG21 ILE 59 48.181 -17.929 11.636 434 2HG2 ILE 59 HG22 ILE 59 47.366 -16.583 10.860 435 3HG2 ILE 59 HG23 ILE 59 46.778 -17.152 12.427 436 1HD1 ILE 59 HD11 ILE 59 46.955 -21.176 12.905 437 2HD1 ILE 59 HD12 ILE 59 47.638 -20.861 11.291 438 3HD1 ILE 59 HD13 ILE 59 47.992 -19.770 12.652 439 H MET 60 H MET 60 45.645 -17.656 7.748 440 HA MET 60 HA MET 60 46.356 -14.926 7.655 441 1HB MET 60 HB2 MET 60 47.007 -16.756 6.057 442 2HB MET 60 HB3 MET 60 45.456 -16.501 5.243 443 1HG MET 60 HG2 MET 60 46.143 -14.112 4.912 444 2HG MET 60 HG3 MET 60 47.602 -14.441 5.886 445 1HE MET 60 HE1 MET 60 50.014 -16.275 3.843 446 2HE MET 60 HE2 MET 60 49.471 -15.605 5.388 447 3HE MET 60 HE3 MET 60 48.858 -17.184 4.853 448 H SER 61 H SER 61 43.261 -16.520 7.004 449 HA SER 61 HA SER 61 41.767 -14.250 6.111 450 1HB SER 61 HB2 SER 61 40.882 -16.731 7.652 451 2HB SER 61 HB3 SER 61 39.784 -15.521 6.966 452 HG SER 61 HG SER 61 41.650 -17.167 5.583 453 H GLU 62 H GLU 62 42.643 -15.310 9.408 454 HA GLU 62 HA GLU 62 41.184 -13.110 10.677 455 1HB GLU 62 HB2 GLU 62 41.585 -15.308 11.772 456 2HB GLU 62 HB3 GLU 62 43.318 -14.981 11.817 457 1HG GLU 62 HG2 GLU 62 42.972 -13.067 13.292 458 2HG GLU 62 HG3 GLU 62 41.225 -13.136 13.061 459 H TYR 63 H TYR 63 44.581 -13.741 9.835 460 HA TYR 63 HA TYR 63 45.792 -11.430 10.913 461 1HB TYR 63 HB2 TYR 63 47.047 -13.341 10.088 462 2HB TYR 63 HB3 TYR 63 46.445 -13.107 8.464 463 HD1 TYR 63 HD1 TYR 63 47.503 -11.811 6.870 464 HD2 TYR 63 HD2 TYR 63 48.708 -11.578 11.010 465 HE1 TYR 63 HE1 TYR 63 49.648 -10.764 6.186 466 HE2 TYR 63 HE2 TYR 63 50.840 -10.499 10.320 467 HH TYR 63 HH TYR 63 52.180 -9.892 8.574 468 H ASN 64 H ASN 64 44.365 -11.869 7.686 469 HA ASN 64 HA ASN 64 45.275 -9.462 6.607 470 1HB ASN 64 HB2 ASN 64 44.446 -11.386 5.308 471 2HB ASN 64 HB3 ASN 64 42.800 -11.091 5.878 472 1HD2 ASN 64 HD22 ASN 64 45.479 -9.641 3.964 473 2HD2 ASN 64 HD21 ASN 64 44.409 -8.658 2.979 474 H LEU 65 H LEU 65 42.409 -9.985 8.593 475 HA LEU 65 HA LEU 65 41.001 -7.555 8.063 476 1HB LEU 65 HB2 LEU 65 40.018 -9.526 9.164 477 2HB LEU 65 HB3 LEU 65 41.117 -9.340 10.529 478 HG LEU 65 HG LEU 65 40.043 -7.195 11.138 479 1HD1 LEU 65 HD11 LEU 65 37.882 -6.568 10.078 480 2HD1 LEU 65 HD12 LEU 65 39.231 -6.418 8.950 481 3HD1 LEU 65 HD13 LEU 65 38.135 -7.816 8.837 482 1HD2 LEU 65 HD21 LEU 65 39.236 -9.313 12.099 483 2HD2 LEU 65 HD22 LEU 65 37.917 -8.147 11.914 484 3HD2 LEU 65 HD23 LEU 65 38.079 -9.492 10.760 485 H TYR 66 H TYR 66 43.396 -8.352 10.564 486 HA TYR 66 HA TYR 66 43.625 -5.574 11.557 487 1HB TYR 66 HB2 TYR 66 45.224 -8.115 12.112 488 2HB TYR 66 HB3 TYR 66 45.456 -6.577 12.932 489 HD1 TYR 66 HD1 TYR 66 43.738 -5.668 14.481 490 HD2 TYR 66 HD2 TYR 66 43.318 -9.552 12.657 491 HE1 TYR 66 HE1 TYR 66 41.973 -6.256 16.137 492 HE2 TYR 66 HE2 TYR 66 41.553 -10.142 14.313 493 HH TYR 66 HH TYR 66 40.498 -7.853 16.864 494 H ARG 67 H ARG 67 45.264 -7.579 9.163 495 HA ARG 67 HA ARG 67 47.676 -6.194 9.069 496 1HB ARG 67 HB2 ARG 67 47.186 -8.382 7.950 497 2HB ARG 67 HB3 ARG 67 46.240 -7.517 6.728 498 1HG ARG 67 HG2 ARG 67 48.466 -8.121 5.905 499 2HG ARG 67 HG3 ARG 67 48.236 -6.375 5.930 500 1HD ARG 67 HD2 ARG 67 49.469 -6.380 8.205 501 2HD ARG 67 HD3 ARG 67 49.769 -8.079 7.937 502 HE ARG 67 HE ARG 67 51.450 -7.482 6.418 503 1HH1 ARG 67 HH21 ARG 67 49.402 -4.649 6.899 504 2HH1 ARG 67 HH22 ARG 67 50.404 -3.627 5.947 505 1HH2 ARG 67 HH11 ARG 67 52.737 -6.088 5.225 506 2HH2 ARG 67 HH12 ARG 67 52.293 -4.411 5.074 507 H ASN 68 H ASN 68 44.670 -5.290 7.461 508 HA ASN 68 HA ASN 68 45.704 -3.052 5.962 509 1HB ASN 68 HB2 ASN 68 43.497 -4.153 5.558 510 2HB ASN 68 HB3 ASN 68 42.929 -3.581 7.128 511 1HD2 ASN 68 HD22 ASN 68 43.983 -2.504 3.878 512 2HD2 ASN 68 HD21 ASN 68 43.160 -0.956 3.982 513 H ALA 69 H ALA 69 44.713 -3.333 9.339 514 HA ALA 69 HA ALA 69 45.058 -0.475 9.798 515 1HB ALA 69 HB1 ALA 69 44.703 -1.176 12.205 516 2HB ALA 69 HB2 ALA 69 43.420 -1.731 11.115 517 3HB ALA 69 HB3 ALA 69 44.649 -2.878 11.674 518 H GLN 70 H GLN 70 46.992 -3.417 10.345 519 HA GLN 70 HA GLN 70 49.194 -2.340 11.698 520 1HB GLN 70 HB2 GLN 70 48.681 -4.748 11.297 521 2HB GLN 70 HB3 GLN 70 49.140 -4.546 9.608 522 1HG GLN 70 HG2 GLN 70 50.923 -5.619 10.842 523 2HG GLN 70 HG3 GLN 70 51.454 -4.053 10.252 524 1HE2 GLN 70 HE22 GLN 70 50.278 -5.768 13.215 525 2HE2 GLN 70 HE21 GLN 70 51.099 -4.654 14.321 526 H SER 71 H SER 71 48.557 -2.212 8.159 527 HA SER 71 HA SER 71 50.996 -1.196 7.236 528 1HB SER 71 HB2 SER 71 48.176 -0.512 6.376 529 2HB SER 71 HB3 SER 71 49.634 0.029 5.521 530 HG SER 71 HG SER 71 48.805 -1.935 4.671 531 H SER 72 H SER 72 48.550 0.573 9.114 532 HA SER 72 HA SER 72 49.508 3.227 8.631 533 1HB SER 72 HB2 SER 72 47.287 2.554 9.644 534 2HB SER 72 HB3 SER 72 48.151 2.155 11.136 535 HG SER 72 HG SER 72 47.932 4.698 9.855 536 H ALA 73 H ALA 73 50.441 0.783 11.081 537 HA ALA 73 HA ALA 73 52.418 2.558 12.342 538 1HB ALA 73 HB1 ALA 73 51.783 -0.401 12.712 539 2HB ALA 73 HB2 ALA 73 52.881 0.556 13.724 540 3HB ALA 73 HB3 ALA 73 51.147 0.939 13.693 541 H VAL 74 H VAL 74 52.442 -0.215 10.085 542 HA VAL 74 HA VAL 74 55.248 -0.605 9.962 543 HB VAL 74 HB VAL 74 52.886 -1.298 8.227 544 1HG1 VAL 74 HG11 VAL 74 55.765 -1.940 7.553 545 2HG1 VAL 74 HG12 VAL 74 54.334 -2.740 6.850 546 3HG1 VAL 74 HG13 VAL 74 54.591 -1.016 6.572 547 1HG2 VAL 74 HG21 VAL 74 53.458 -3.573 8.920 548 2HG2 VAL 74 HG22 VAL 74 54.930 -2.991 9.727 549 3HG2 VAL 74 HG23 VAL 74 53.334 -2.533 10.351 550 H LYS 75 H LYS 75 53.179 1.644 8.041 551 HA LYS 75 HA LYS 75 55.125 2.470 6.181 552 1HB LYS 75 HB2 LYS 75 52.729 3.110 6.144 553 2HB LYS 75 HB3 LYS 75 52.963 4.120 7.562 554 1HG LYS 75 HG2 LYS 75 52.868 5.491 5.558 555 2HG LYS 75 HG3 LYS 75 54.441 5.627 6.315 556 1HD LYS 75 HD2 LYS 75 54.695 5.532 3.897 557 2HD LYS 75 HD3 LYS 75 55.431 4.120 4.628 558 1HE LYS 75 HE2 LYS 75 54.289 3.377 2.674 559 2HE LYS 75 HE3 LYS 75 53.369 2.784 4.056 560 1HZ LYS 75 HZ1 LYS 75 51.926 3.752 2.349 561 2HZ LYS 75 HZ2 LYS 75 51.808 4.644 3.708 562 3HZ LYS 75 HZ3 LYS 75 52.685 5.190 2.440 563 H SER 76 H SER 76 54.700 3.657 9.510 564 HA SER 76 HA SER 76 56.836 5.592 9.418 565 1HB SER 76 HB2 SER 76 55.506 4.248 11.804 566 2HB SER 76 HB3 SER 76 56.522 5.703 11.853 567 HG SER 76 HG SER 76 54.294 6.233 11.791 568 H MET 77 H MET 77 57.040 2.186 9.568 569 HA MET 77 HA MET 77 59.727 2.265 10.895 570 1HB MET 77 HB2 MET 77 57.999 0.908 12.022 571 2HB MET 77 HB3 MET 77 57.764 -0.034 10.547 572 1HG MET 77 HG2 MET 77 59.166 -1.240 12.127 573 2HG MET 77 HG3 MET 77 60.078 -0.856 10.673 574 1HE MET 77 HE1 MET 77 61.467 -1.919 13.272 575 2HE MET 77 HE2 MET 77 62.349 -1.447 11.800 576 3HE MET 77 HE3 MET 77 62.870 -0.832 13.384 577 H LYS 78 H LYS 78 57.983 0.960 8.040 578 HA LYS 78 HA LYS 78 60.172 -0.284 6.743 579 1HB LYS 78 HB2 LYS 78 57.792 -0.557 6.164 580 2HB LYS 78 HB3 LYS 78 57.749 1.087 5.509 581 1HG LYS 78 HG2 LYS 78 59.398 0.496 3.796 582 2HG LYS 78 HG3 LYS 78 59.625 -1.109 4.498 583 1HD LYS 78 HD2 LYS 78 56.998 -0.093 3.321 584 2HD LYS 78 HD3 LYS 78 58.206 -1.034 2.432 585 1HE LYS 78 HE2 LYS 78 57.991 -2.874 4.116 586 2HE LYS 78 HE3 LYS 78 56.702 -1.967 4.919 587 1HZ LYS 78 HZ1 LYS 78 55.420 -2.095 2.842 588 2HZ LYS 78 HZ2 LYS 78 56.616 -2.927 2.105 589 3HZ LYS 78 HZ3 LYS 78 55.808 -3.599 3.350 590 H ASP 79 H ASP 79 59.243 3.122 6.800 591 HA ASP 79 HA ASP 79 61.053 4.161 4.892 592 1HB ASP 79 HB2 ASP 79 59.172 5.359 6.007 593 2HB ASP 79 HB3 ASP 79 60.101 5.400 7.505 594 H ILE 80 H ILE 80 61.750 2.885 8.086 595 HA ILE 80 HA ILE 80 64.569 3.869 8.010 596 HB ILE 80 HB ILE 80 63.081 2.410 10.224 597 1HG1 ILE 80 HG12 ILE 80 62.019 4.573 9.978 598 2HG1 ILE 80 HG13 ILE 80 62.973 4.522 11.443 599 1HG2 ILE 80 HG21 ILE 80 65.466 2.052 10.410 600 2HG2 ILE 80 HG22 ILE 80 65.802 3.777 10.175 601 3HG2 ILE 80 HG23 ILE 80 64.978 3.213 11.646 602 1HD1 ILE 80 HD11 ILE 80 63.811 5.908 8.854 603 2HD1 ILE 80 HD12 ILE 80 63.184 6.690 10.314 604 3HD1 ILE 80 HD13 ILE 80 64.755 5.875 10.364 605 H ASP 81 H ASP 81 62.647 0.879 8.277 606 HA ASP 81 HA ASP 81 64.762 -0.984 8.281 607 1HB ASP 81 HB2 ASP 81 62.352 -1.385 8.853 608 2HB ASP 81 HB3 ASP 81 61.980 -1.339 7.129 609 H SER 82 H SER 82 63.315 0.666 5.520 610 HA SER 82 HA SER 82 64.343 -0.733 3.325 611 1HB SER 82 HB2 SER 82 62.832 1.221 3.250 612 2HB SER 82 HB3 SER 82 64.180 2.278 3.711 613 HG SER 82 HG SER 82 63.818 2.219 1.433 614 H SER 83 H SER 83 66.172 1.177 5.662 615 HA SER 83 HA SER 83 68.608 1.510 4.190 616 1HB SER 83 HB2 SER 83 67.837 2.676 6.327 617 2HB SER 83 HB3 SER 83 68.303 1.208 7.198 618 HG SER 83 HG SER 83 69.953 2.965 5.662 619 H ILE 84 H ILE 84 67.229 -1.363 5.570 620 HA ILE 84 HA ILE 84 69.750 -2.854 5.021 621 HB ILE 84 HB ILE 84 68.960 -2.286 7.535 622 1HG1 ILE 84 HG12 ILE 84 71.098 -3.159 7.020 623 2HG1 ILE 84 HG13 ILE 84 70.381 -4.013 8.374 624 1HG2 ILE 84 HG21 ILE 84 67.922 -4.146 8.647 625 2HG2 ILE 84 HG22 ILE 84 66.839 -3.502 7.405 626 3HG2 ILE 84 HG23 ILE 84 67.715 -5.022 7.123 627 1HD1 ILE 84 HD11 ILE 84 71.579 -5.588 7.015 628 2HD1 ILE 84 HD12 ILE 84 69.853 -5.936 6.822 629 3HD1 ILE 84 HD13 ILE 84 70.751 -5.068 5.545 630 H LEU 85 H LEU 85 66.360 -2.666 4.491 631 HA LEU 85 HA LEU 85 65.995 -5.377 3.571 632 1HB LEU 85 HB2 LEU 85 64.253 -3.589 4.360 633 2HB LEU 85 HB3 LEU 85 64.307 -3.010 2.713 634 HG LEU 85 HG LEU 85 62.413 -4.452 3.061 635 1HD1 LEU 85 HD11 LEU 85 63.464 -4.685 0.836 636 2HD1 LEU 85 HD12 LEU 85 64.400 -6.078 1.432 637 3HD1 LEU 85 HD13 LEU 85 62.630 -6.156 1.357 638 1HD2 LEU 85 HD21 LEU 85 63.309 -5.764 4.966 639 2HD2 LEU 85 HD22 LEU 85 62.515 -6.763 3.741 640 3HD2 LEU 85 HD23 LEU 85 64.284 -6.725 3.832 641 H GLU 86 H GLU 86 68.156 -5.264 2.494 642 HA GLU 86 HA GLU 86 67.783 -5.124 -0.414 643 1HB GLU 86 HB2 GLU 86 69.833 -3.845 -0.814 644 2HB GLU 86 HB3 GLU 86 68.621 -2.882 0.016 645 1HG GLU 86 HG2 GLU 86 69.813 -3.114 2.148 646 2HG GLU 86 HG3 GLU 86 70.965 -4.236 1.420 647 H HIS 87 H HIS 87 69.765 -6.065 -1.551 648 HA HIS 87 HA HIS 87 71.362 -7.961 0.025 649 1HB HIS 87 HB2 HIS 87 69.060 -9.007 -0.459 650 2HB HIS 87 HB3 HIS 87 69.519 -9.008 -2.159 651 HD1 HIS 87 HD1 HIS 87 70.708 -11.250 -2.854 652 HD2 HIS 87 HD2 HIS 87 70.987 -10.327 1.245 653 HE1 HIS 87 HE1 HIS 87 71.928 -13.202 -1.765 654 H HIS 88 H HIS 88 72.684 -9.379 -1.623 655 HA HIS 88 HA HIS 88 73.638 -7.825 -3.965 656 1HB HIS 88 HB2 HIS 88 74.846 -6.939 -2.014 657 2HB HIS 88 HB3 HIS 88 75.291 -8.565 -1.513 658 HD1 HIS 88 HD1 HIS 88 77.539 -9.482 -2.495 659 HD2 HIS 88 HD2 HIS 88 76.033 -6.040 -4.401 660 HE1 HIS 88 HE1 HIS 88 79.371 -8.680 -4.076 661 H HIS 89 H HIS 89 74.801 -9.094 -5.471 662 HA HIS 89 HA HIS 89 74.130 -11.917 -5.494 663 1HB HIS 89 HB2 HIS 89 75.401 -11.853 -7.680 664 2HB HIS 89 HB3 HIS 89 73.983 -10.826 -7.546 665 HD1 HIS 89 HD1 HIS 89 77.432 -9.680 -6.243 666 HD2 HIS 89 HD2 HIS 89 74.657 -9.018 -9.334 667 HE1 HIS 89 HE1 HIS 89 78.229 -7.589 -7.485 668 H HIS 90 H HIS 90 75.352 -13.675 -5.189 669 HA HIS 90 HA HIS 90 78.255 -13.503 -4.588 670 1HB HIS 90 HB2 HIS 90 76.166 -14.712 -2.722 671 2HB HIS 90 HB3 HIS 90 77.909 -14.810 -2.505 672 HD1 HIS 90 HD1 HIS 90 75.105 -12.789 -1.325 673 HD2 HIS 90 HD2 HIS 90 79.121 -12.127 -2.389 674 HE1 HIS 90 HE1 HIS 90 75.787 -10.617 -0.194 675 H HIS 91 H HIS 91 79.186 -15.738 -4.301 676 HA HIS 91 HA HIS 91 77.751 -17.954 -5.617 677 1HB HIS 91 HB2 HIS 91 79.603 -18.295 -7.243 678 2HB HIS 91 HB3 HIS 91 78.672 -16.835 -7.525 679 HD1 HIS 91 HD1 HIS 91 81.602 -16.873 -4.989 680 HD2 HIS 91 HD2 HIS 91 80.558 -15.542 -8.844 681 HE1 HIS 91 HE1 HIS 91 83.491 -15.332 -5.751 682 H HIS 92 H HIS 92 78.787 -19.998 -5.400 683 HA HIS 92 HA HIS 92 81.075 -20.314 -3.568 684 1HB HIS 92 HB2 HIS 92 79.103 -20.057 -2.083 685 2HB HIS 92 HB3 HIS 92 78.291 -21.377 -2.921 686 HD1 HIS 92 HD1 HIS 92 79.186 -23.867 -2.347 687 HD2 HIS 92 HD2 HIS 92 81.111 -20.682 -0.387 688 HE1 HIS 92 HE1 HIS 92 80.569 -24.917 -0.471 Start of MODEL 5 1 1H MET 1 H1 MET 1 88.999 8.287 31.856 2 2H MET 1 H2 MET 1 89.115 6.798 31.192 3 3H MET 1 H3 MET 1 87.792 7.711 30.904 4 HA MET 1 HA MET 1 88.571 6.591 33.520 5 1HB MET 1 HB2 MET 1 86.087 8.186 32.746 6 2HB MET 1 HB3 MET 1 86.301 7.318 34.270 7 1HG MET 1 HG2 MET 1 88.347 8.735 34.704 8 2HG MET 1 HG3 MET 1 87.881 9.726 33.318 9 1HE MET 1 HE1 MET 1 84.475 11.313 34.547 10 2HE MET 1 HE2 MET 1 85.633 11.179 33.207 11 3HE MET 1 HE3 MET 1 84.596 9.797 33.639 12 H SER 2 H SER 2 87.429 4.748 34.214 13 HA SER 2 HA SER 2 86.428 2.929 32.216 14 1HB SER 2 HB2 SER 2 86.187 2.786 35.244 15 2HB SER 2 HB3 SER 2 86.061 1.433 34.107 16 HG SER 2 HG SER 2 88.245 1.729 33.566 17 H ASN 3 H ASN 3 84.828 5.518 33.617 18 HA ASN 3 HA ASN 3 82.122 4.499 33.012 19 1HB ASN 3 HB2 ASN 3 81.313 5.295 35.235 20 2HB ASN 3 HB3 ASN 3 82.468 3.986 35.393 21 1HD2 ASN 3 HD22 ASN 3 82.017 7.528 35.854 22 2HD2 ASN 3 HD21 ASN 3 83.400 7.658 36.925 23 HA PRO 4 HA PRO 4 81.627 8.762 31.673 24 1HB PRO 4 HB2 PRO 4 78.974 9.306 32.118 25 2HB PRO 4 HB3 PRO 4 79.541 8.186 30.846 26 1HG PRO 4 HG2 PRO 4 78.550 7.498 33.627 27 2HG PRO 4 HG3 PRO 4 78.064 6.765 32.065 28 1HD PRO 4 HD2 PRO 4 79.926 5.629 33.683 29 2HD PRO 4 HD3 PRO 4 80.082 5.541 31.915 30 HA PRO 5 HA PRO 5 82.023 11.346 35.330 31 1HB PRO 5 HB2 PRO 5 81.198 13.820 34.450 32 2HB PRO 5 HB3 PRO 5 82.758 13.069 33.976 33 1HG PRO 5 HG2 PRO 5 80.141 13.100 32.444 34 2HG PRO 5 HG3 PRO 5 81.789 13.447 31.829 35 1HD PRO 5 HD2 PRO 5 80.608 11.018 31.502 36 2HD PRO 5 HD3 PRO 5 82.363 11.159 31.818 37 H THR 6 H THR 6 78.907 10.955 33.800 38 HA THR 6 HA THR 6 77.318 12.555 35.569 39 HB THR 6 HB THR 6 75.421 11.340 34.663 40 HG1 THR 6 HG1 THR 6 75.760 9.461 33.778 41 1HG2 THR 6 HG21 THR 6 77.386 12.181 32.487 42 2HG2 THR 6 HG22 THR 6 75.617 12.104 32.359 43 3HG2 THR 6 HG23 THR 6 76.370 13.286 33.442 44 HA PRO 7 HA PRO 7 76.657 10.227 39.212 45 1HB PRO 7 HB2 PRO 7 73.704 10.637 38.777 46 2HB PRO 7 HB3 PRO 7 74.704 11.005 40.216 47 1HG PRO 7 HG2 PRO 7 73.903 12.993 38.541 48 2HG PRO 7 HG3 PRO 7 75.562 12.984 39.224 49 1HD PRO 7 HD2 PRO 7 74.652 12.076 36.482 50 2HD PRO 7 HD3 PRO 7 76.034 13.071 36.907 51 H LEU 8 H LEU 8 74.764 9.311 36.387 52 HA LEU 8 HA LEU 8 75.074 6.454 36.893 53 1HB LEU 8 HB2 LEU 8 73.000 7.115 38.152 54 2HB LEU 8 HB3 LEU 8 72.325 7.779 36.672 55 HG LEU 8 HG LEU 8 72.192 5.521 35.690 56 1HD1 LEU 8 HD11 LEU 8 72.617 3.520 37.101 57 2HD1 LEU 8 HD12 LEU 8 74.113 4.402 36.792 58 3HD1 LEU 8 HD13 LEU 8 73.307 4.561 38.366 59 1HD2 LEU 8 HD21 LEU 8 71.030 5.649 38.499 60 2HD2 LEU 8 HD22 LEU 8 70.323 6.386 37.043 61 3HD2 LEU 8 HD23 LEU 8 70.459 4.625 37.162 62 H LEU 9 H LEU 9 74.448 5.213 34.952 63 HA LEU 9 HA LEU 9 75.175 6.401 32.448 64 1HB LEU 9 HB2 LEU 9 74.177 3.684 33.363 65 2HB LEU 9 HB3 LEU 9 74.319 4.041 31.654 66 HG LEU 9 HG LEU 9 76.709 4.572 31.889 67 1HD1 LEU 9 HD11 LEU 9 76.939 5.187 34.243 68 2HD1 LEU 9 HD12 LEU 9 76.377 3.572 34.752 69 3HD1 LEU 9 HD13 LEU 9 77.930 3.769 33.912 70 1HD2 LEU 9 HD21 LEU 9 75.924 2.328 31.233 71 2HD2 LEU 9 HD22 LEU 9 77.431 2.237 32.154 72 3HD2 LEU 9 HD23 LEU 9 75.887 1.833 32.940 73 H ALA 10 H ALA 10 72.508 7.348 33.809 74 HA ALA 10 HA ALA 10 70.316 6.848 32.085 75 1HB ALA 10 HB1 ALA 10 70.147 7.886 34.304 76 2HB ALA 10 HB2 ALA 10 71.031 9.317 33.719 77 3HB ALA 10 HB3 ALA 10 69.426 8.928 33.064 78 H ASP 11 H ASP 11 73.159 8.806 31.528 79 HA ASP 11 HA ASP 11 72.300 10.416 29.338 80 1HB ASP 11 HB2 ASP 11 74.405 10.645 30.665 81 2HB ASP 11 HB3 ASP 11 75.019 9.175 29.910 82 H TYR 12 H TYR 12 72.707 6.981 29.481 83 HA TYR 12 HA TYR 12 72.352 6.747 26.521 84 1HB TYR 12 HB2 TYR 12 74.694 6.311 27.144 85 2HB TYR 12 HB3 TYR 12 74.172 5.090 28.297 86 HD1 TYR 12 HD1 TYR 12 73.985 5.980 24.644 87 HD2 TYR 12 HD2 TYR 12 73.976 2.830 27.596 88 HE1 TYR 12 HE1 TYR 12 74.021 4.277 22.827 89 HE2 TYR 12 HE2 TYR 12 74.014 1.129 25.773 90 HH TYR 12 HH TYR 12 74.039 2.049 22.308 91 H GLU 13 H GLU 13 71.470 5.528 29.704 92 HA GLU 13 HA GLU 13 70.335 3.078 29.150 93 1HB GLU 13 HB2 GLU 13 70.651 4.183 31.370 94 2HB GLU 13 HB3 GLU 13 69.214 5.166 31.055 95 1HG GLU 13 HG2 GLU 13 67.808 3.155 31.015 96 2HG GLU 13 HG3 GLU 13 69.236 2.120 31.135 97 H TRP 14 H TRP 14 68.896 6.162 28.281 98 HA TRP 14 HA TRP 14 66.230 5.425 27.682 99 1HB TRP 14 HB2 TRP 14 66.294 7.319 26.122 100 2HB TRP 14 HB3 TRP 14 66.976 7.718 27.689 101 HD1 TRP 14 HD1 TRP 14 69.477 8.443 27.795 102 HE1 TRP 14 HE1 TRP 14 71.317 8.915 26.083 103 HE3 TRP 14 HE3 TRP 14 67.134 6.669 23.588 104 HZ2 TRP 14 HZ2 TRP 14 71.737 8.555 23.247 105 HZ3 TRP 14 HZ3 TRP 14 68.296 6.734 21.393 106 HH2 TRP 14 HH2 TRP 14 70.591 7.666 21.210 107 H SER 15 H SER 15 69.184 4.684 25.911 108 HA SER 15 HA SER 15 68.016 3.887 23.417 109 1HB SER 15 HB2 SER 15 70.435 4.491 23.920 110 2HB SER 15 HB3 SER 15 70.617 2.878 24.630 111 HG SER 15 HG SER 15 69.936 2.032 22.560 112 H GLY 16 H GLY 16 67.844 2.353 26.461 113 1HA GLY 16 HA2 GLY 16 66.863 -0.201 25.196 114 2HA GLY 16 HA3 GLY 16 67.601 -0.107 26.799 115 H TYR 17 H TYR 17 66.362 2.148 27.899 116 HA TYR 17 HA TYR 17 63.909 1.109 28.816 117 1HB TYR 17 HB2 TYR 17 65.201 2.664 30.126 118 2HB TYR 17 HB3 TYR 17 65.053 3.913 28.898 119 HD1 TYR 17 HD1 TYR 17 62.923 1.765 31.148 120 HD2 TYR 17 HD2 TYR 17 63.353 5.534 29.086 121 HE1 TYR 17 HE1 TYR 17 60.822 2.584 32.204 122 HE2 TYR 17 HE2 TYR 17 61.241 6.343 30.133 123 HH TYR 17 HH TYR 17 59.340 4.321 32.402 124 H LEU 18 H LEU 18 64.328 3.808 26.478 125 HA LEU 18 HA LEU 18 61.460 4.084 26.077 126 1HB LEU 18 HB2 LEU 18 63.772 5.101 24.378 127 2HB LEU 18 HB3 LEU 18 62.087 5.566 24.195 128 HG LEU 18 HG LEU 18 63.813 6.137 26.645 129 1HD1 LEU 18 HD11 LEU 18 62.702 7.992 24.496 130 2HD1 LEU 18 HD12 LEU 18 63.677 8.466 25.905 131 3HD1 LEU 18 HD13 LEU 18 64.393 7.465 24.630 132 1HD2 LEU 18 HD21 LEU 18 61.449 5.902 27.316 133 2HD2 LEU 18 HD22 LEU 18 61.928 7.600 27.350 134 3HD2 LEU 18 HD23 LEU 18 60.951 6.986 25.999 135 H THR 19 H THR 19 63.962 2.182 24.440 136 HA THR 19 HA THR 19 62.361 1.263 22.255 137 HB THR 19 HB THR 19 64.540 -0.298 23.691 138 HG1 THR 19 HG1 THR 19 65.964 0.786 22.418 139 1HG2 THR 19 HG21 THR 19 63.571 -0.292 20.793 140 2HG2 THR 19 HG22 THR 19 64.967 -1.205 21.413 141 3HG2 THR 19 HG23 THR 19 63.335 -1.604 21.969 142 H GLY 20 H GLY 20 62.712 0.063 25.589 143 1HA GLY 20 HA2 GLY 20 60.980 -2.209 25.430 144 2HA GLY 20 HA3 GLY 20 61.367 -1.277 26.883 145 H ILE 21 H ILE 21 60.272 1.198 26.384 146 HA ILE 21 HA ILE 21 57.439 0.872 26.695 147 HB ILE 21 HB ILE 21 59.031 3.342 25.915 148 1HG1 ILE 21 HG12 ILE 21 59.784 2.532 28.079 149 2HG1 ILE 21 HG13 ILE 21 58.882 4.016 28.260 150 1HG2 ILE 21 HG21 ILE 21 56.152 3.081 26.867 151 2HG2 ILE 21 HG22 ILE 21 57.062 4.608 26.845 152 3HG2 ILE 21 HG23 ILE 21 56.738 3.761 25.335 153 1HD1 ILE 21 HD11 ILE 21 56.912 2.717 29.076 154 2HD1 ILE 21 HD12 ILE 21 57.846 1.212 28.886 155 3HD1 ILE 21 HD13 ILE 21 58.362 2.438 30.051 156 H GLY 22 H GLY 22 59.337 1.806 23.829 157 1HA GLY 22 HA2 GLY 22 57.237 2.189 21.977 158 2HA GLY 22 HA3 GLY 22 58.886 1.682 21.581 159 H ARG 23 H ARG 23 59.106 -0.815 22.624 160 HA ARG 23 HA ARG 23 57.748 -2.571 20.849 161 1HB ARG 23 HB2 ARG 23 59.885 -3.109 21.871 162 2HB ARG 23 HB3 ARG 23 59.181 -3.076 23.494 163 1HG ARG 23 HG2 ARG 23 57.835 -5.037 23.027 164 2HG ARG 23 HG3 ARG 23 58.344 -5.050 21.324 165 1HD ARG 23 HD2 ARG 23 60.637 -5.566 21.994 166 2HD ARG 23 HD3 ARG 23 60.203 -5.398 23.710 167 HE ARG 23 HE ARG 23 58.456 -7.340 22.590 168 1HH1 ARG 23 HH11 ARG 23 61.894 -7.174 23.293 169 2HH1 ARG 23 HH12 ARG 23 61.986 -8.898 23.542 170 1HH2 ARG 23 HH22 ARG 23 58.608 -9.375 22.925 171 2HH2 ARG 23 HH21 ARG 23 60.136 -10.163 23.329 172 H ALA 24 H ALA 24 56.720 -1.508 24.096 173 HA ALA 24 HA ALA 24 54.801 -3.624 24.306 174 1HB ALA 24 HB1 ALA 24 54.933 -0.967 25.823 175 2HB ALA 24 HB2 ALA 24 54.057 -2.423 26.340 176 3HB ALA 24 HB3 ALA 24 55.829 -2.438 26.265 177 H PHE 25 H PHE 25 54.539 -0.831 22.393 178 HA PHE 25 HA PHE 25 51.593 -1.017 22.303 179 1HB PHE 25 HB2 PHE 25 53.569 0.644 20.689 180 2HB PHE 25 HB3 PHE 25 51.821 0.757 20.562 181 HD1 PHE 25 HD1 PHE 25 54.721 1.951 22.340 182 HD2 PHE 25 HD2 PHE 25 50.454 1.403 22.647 183 HE1 PHE 25 HE1 PHE 25 54.636 3.626 24.170 184 HE2 PHE 25 HE2 PHE 25 50.373 3.082 24.479 185 HZ PHE 25 HZ PHE 25 52.465 4.193 25.245 186 H ASP 26 H ASP 26 53.812 -3.092 21.302 187 HA ASP 26 HA ASP 26 52.537 -3.812 18.679 188 1HB ASP 26 HB2 ASP 26 54.581 -2.493 18.362 189 2HB ASP 26 HB3 ASP 26 55.449 -3.517 19.504 190 H ASP 27 H ASP 27 54.682 -4.979 21.331 191 HA ASP 27 HA ASP 27 54.895 -7.642 20.618 192 1HB ASP 27 HB2 ASP 27 56.094 -6.339 22.397 193 2HB ASP 27 HB3 ASP 27 54.702 -6.546 23.453 194 H GLY 28 H GLY 28 52.179 -6.147 22.290 195 1HA GLY 28 HA2 GLY 28 50.759 -8.545 23.036 196 2HA GLY 28 HA3 GLY 28 50.112 -6.904 22.959 197 H VAL 29 H VAL 29 51.211 -7.219 19.915 198 HA VAL 29 HA VAL 29 48.918 -8.811 18.871 199 HB VAL 29 HB VAL 29 49.361 -6.604 17.075 200 1HG1 VAL 29 HG11 VAL 29 47.006 -7.441 18.821 201 2HG1 VAL 29 HG12 VAL 29 46.915 -6.385 17.394 202 3HG1 VAL 29 HG13 VAL 29 47.393 -8.086 17.213 203 1HG2 VAL 29 HG21 VAL 29 50.032 -5.212 18.991 204 2HG2 VAL 29 HG22 VAL 29 48.460 -4.735 18.341 205 3HG2 VAL 29 HG23 VAL 29 48.534 -5.666 19.848 206 H LYS 30 H LYS 30 52.246 -7.926 18.446 207 HA LYS 30 HA LYS 30 52.750 -9.143 15.925 208 1HB LYS 30 HB2 LYS 30 54.378 -7.838 17.177 209 2HB LYS 30 HB3 LYS 30 54.415 -9.031 18.477 210 1HG LYS 30 HG2 LYS 30 55.512 -10.658 17.118 211 2HG LYS 30 HG3 LYS 30 55.215 -9.754 15.624 212 1HD LYS 30 HD2 LYS 30 56.835 -8.544 17.892 213 2HD LYS 30 HD3 LYS 30 57.591 -9.648 16.732 214 1HE LYS 30 HE2 LYS 30 57.296 -8.231 14.909 215 2HE LYS 30 HE3 LYS 30 55.949 -7.361 15.652 216 1HZ LYS 30 HZ1 LYS 30 58.083 -6.101 15.585 217 2HZ LYS 30 HZ2 LYS 30 57.374 -6.190 17.045 218 3HZ LYS 30 HZ3 LYS 30 58.703 -7.121 16.709 219 H ASP 31 H ASP 31 51.795 -10.591 18.921 220 HA ASP 31 HA ASP 31 52.355 -13.298 18.649 221 1HB ASP 31 HB2 ASP 31 51.195 -12.206 20.549 222 2HB ASP 31 HB3 ASP 31 49.767 -11.954 19.538 223 H LEU 32 H LEU 32 49.812 -11.486 16.892 224 HA LEU 32 HA LEU 32 48.559 -13.792 15.700 225 1HB LEU 32 HB2 LEU 32 47.864 -11.224 15.946 226 2HB LEU 32 HB3 LEU 32 48.710 -11.027 14.435 227 HG LEU 32 HG LEU 32 46.186 -12.621 15.021 228 1HD1 LEU 32 HD11 LEU 32 45.990 -10.187 14.602 229 2HD1 LEU 32 HD12 LEU 32 46.826 -10.380 13.048 230 3HD1 LEU 32 HD13 LEU 32 45.234 -11.121 13.304 231 1HD2 LEU 32 HD21 LEU 32 46.118 -13.212 12.583 232 2HD2 LEU 32 HD22 LEU 32 47.820 -12.706 12.464 233 3HD2 LEU 32 HD23 LEU 32 47.348 -14.077 13.493 234 H ASN 33 H ASN 33 51.156 -11.615 14.635 235 HA ASN 33 HA ASN 33 51.636 -12.998 12.121 236 1HB ASN 33 HB2 ASN 33 52.324 -10.629 12.581 237 2HB ASN 33 HB3 ASN 33 53.568 -11.237 13.681 238 1HD2 ASN 33 HD22 ASN 33 52.548 -11.055 10.271 239 2HD2 ASN 33 HD21 ASN 33 54.104 -11.556 9.638 240 H LYS 34 H LYS 34 52.887 -13.457 15.416 241 HA LYS 34 HA LYS 34 54.773 -15.536 14.725 242 1HB LYS 34 HB2 LYS 34 54.737 -14.197 16.863 243 2HB LYS 34 HB3 LYS 34 53.359 -15.169 17.397 244 1HG LYS 34 HG2 LYS 34 54.721 -17.220 17.249 245 2HG LYS 34 HG3 LYS 34 56.086 -16.286 16.607 246 1HD LYS 34 HD2 LYS 34 56.129 -14.949 18.718 247 2HD LYS 34 HD3 LYS 34 54.845 -15.963 19.384 248 1HE LYS 34 HE2 LYS 34 57.578 -16.967 18.447 249 2HE LYS 34 HE3 LYS 34 57.190 -16.553 20.117 250 1HZ LYS 34 HZ1 LYS 34 55.493 -18.301 20.103 251 2HZ LYS 34 HZ2 LYS 34 55.865 -18.710 18.562 252 3HZ LYS 34 HZ3 LYS 34 56.957 -18.925 19.752 253 H GLN 35 H GLN 35 51.332 -15.683 15.610 254 HA GLN 35 HA GLN 35 50.998 -18.534 15.419 255 1HB GLN 35 HB2 GLN 35 49.041 -16.293 14.743 256 2HB GLN 35 HB3 GLN 35 48.633 -17.997 14.774 257 1HG GLN 35 HG2 GLN 35 49.074 -18.133 17.150 258 2HG GLN 35 HG3 GLN 35 49.649 -16.478 17.205 259 1HE2 GLN 35 HE22 GLN 35 48.042 -15.342 18.404 260 2HE2 GLN 35 HE21 GLN 35 46.333 -15.461 17.995 261 H LEU 36 H LEU 36 50.933 -15.988 12.937 262 HA LEU 36 HA LEU 36 50.286 -17.742 10.742 263 1HB LEU 36 HB2 LEU 36 49.847 -15.319 10.877 264 2HB LEU 36 HB3 LEU 36 51.577 -15.030 10.666 265 HG LEU 36 HG LEU 36 51.548 -16.101 8.478 266 1HD1 LEU 36 HD11 LEU 36 49.868 -17.840 8.558 267 2HD1 LEU 36 HD12 LEU 36 48.603 -16.660 8.944 268 3HD1 LEU 36 HD13 LEU 36 49.368 -16.627 7.360 269 1HD2 LEU 36 HD21 LEU 36 49.154 -14.288 8.858 270 2HD2 LEU 36 HD22 LEU 36 50.831 -13.695 8.855 271 3HD2 LEU 36 HD23 LEU 36 50.137 -14.398 7.388 272 H GLN 37 H GLN 37 53.434 -16.547 11.978 273 HA GLN 37 HA GLN 37 54.981 -18.003 10.009 274 1HB GLN 37 HB2 GLN 37 55.677 -16.935 12.781 275 2HB GLN 37 HB3 GLN 37 56.834 -17.769 11.736 276 1HG GLN 37 HG2 GLN 37 56.462 -16.065 9.953 277 2HG GLN 37 HG3 GLN 37 55.368 -15.193 11.024 278 1HE2 GLN 37 HE22 GLN 37 56.428 -13.367 11.861 279 2HE2 GLN 37 HE21 GLN 37 58.116 -13.389 12.363 280 H ASP 38 H ASP 38 53.625 -18.967 13.170 281 HA ASP 38 HA ASP 38 54.779 -21.618 13.115 282 1HB ASP 38 HB2 ASP 38 53.845 -20.606 15.161 283 2HB ASP 38 HB3 ASP 38 52.228 -20.664 14.461 284 H ALA 39 H ALA 39 51.755 -20.286 11.739 285 HA ALA 39 HA ALA 39 50.850 -22.745 10.610 286 1HB ALA 39 HB1 ALA 39 49.321 -21.536 9.393 287 2HB ALA 39 HB2 ALA 39 49.723 -20.255 10.609 288 3HB ALA 39 HB3 ALA 39 50.445 -20.227 9.005 289 H GLN 40 H GLN 40 52.991 -20.246 9.325 290 HA GLN 40 HA GLN 40 53.571 -21.497 6.827 291 1HB GLN 40 HB2 GLN 40 53.919 -19.031 7.647 292 2HB GLN 40 HB3 GLN 40 55.413 -19.613 8.372 293 1HG GLN 40 HG2 GLN 40 56.239 -20.338 6.160 294 2HG GLN 40 HG3 GLN 40 54.721 -19.841 5.409 295 1HE2 GLN 40 HE22 GLN 40 56.979 -18.776 4.327 296 2HE2 GLN 40 HE21 GLN 40 57.146 -17.095 4.815 297 H ALA 41 H ALA 41 54.955 -22.046 10.039 298 HA ALA 41 HA ALA 41 57.044 -23.833 8.974 299 1HB ALA 41 HB1 ALA 41 57.428 -22.532 11.009 300 2HB ALA 41 HB2 ALA 41 56.114 -23.424 11.830 301 3HB ALA 41 HB3 ALA 41 57.579 -24.278 11.268 302 H ASN 42 H ASN 42 53.767 -24.387 10.319 303 HA ASN 42 HA ASN 42 54.058 -27.284 10.090 304 1HB ASN 42 HB2 ASN 42 51.525 -25.522 10.123 305 2HB ASN 42 HB3 ASN 42 51.549 -27.244 9.959 306 1HD2 ASN 42 HD21 ASN 42 52.620 -24.678 12.262 307 2HD2 ASN 42 HD22 ASN 42 52.443 -25.733 13.651 308 H LEU 43 H LEU 43 53.167 -24.621 7.914 309 HA LEU 43 HA LEU 43 52.883 -26.269 5.613 310 1HB LEU 43 HB2 LEU 43 52.179 -23.701 6.163 311 2HB LEU 43 HB3 LEU 43 53.750 -23.376 5.461 312 HG LEU 43 HG LEU 43 53.118 -24.681 3.473 313 1HD1 LEU 43 HD11 LEU 43 51.329 -26.077 4.300 314 2HD1 LEU 43 HD12 LEU 43 50.538 -24.655 5.073 315 3HD1 LEU 43 HD13 LEU 43 50.531 -24.905 3.286 316 1HD2 LEU 43 HD21 LEU 43 51.616 -23.084 2.471 317 2HD2 LEU 43 HD22 LEU 43 51.196 -22.416 4.071 318 3HD2 LEU 43 HD23 LEU 43 52.857 -22.234 3.423 319 H THR 44 H THR 44 55.740 -24.655 7.031 320 HA THR 44 HA THR 44 57.441 -25.157 4.838 321 HB THR 44 HB THR 44 58.130 -24.993 7.782 322 HG1 THR 44 HG1 THR 44 57.379 -23.103 6.638 323 1HG2 THR 44 HG21 THR 44 59.898 -25.298 5.370 324 2HG2 THR 44 HG22 THR 44 60.460 -24.575 6.922 325 3HG2 THR 44 HG23 THR 44 59.874 -26.253 6.879 326 H LYS 45 H LYS 45 56.568 -27.217 7.558 327 HA LYS 45 HA LYS 45 58.227 -29.498 6.938 328 1HB LYS 45 HB2 LYS 45 55.565 -29.171 8.355 329 2HB LYS 45 HB3 LYS 45 56.418 -30.718 8.243 330 1HG LYS 45 HG2 LYS 45 58.335 -29.790 9.442 331 2HG LYS 45 HG3 LYS 45 57.513 -28.218 9.566 332 1HD LYS 45 HD2 LYS 45 55.702 -29.205 10.896 333 2HD LYS 45 HD3 LYS 45 56.355 -30.828 10.633 334 1HE LYS 45 HE2 LYS 45 56.980 -30.193 12.829 335 2HE LYS 45 HE3 LYS 45 58.431 -30.197 11.818 336 1HZ LYS 45 HZ1 LYS 45 56.899 -27.767 12.607 337 2HZ LYS 45 HZ2 LYS 45 58.324 -28.227 13.253 338 3HZ LYS 45 HZ3 LYS 45 58.258 -27.762 11.692 339 H ASN 46 H ASN 46 55.087 -28.565 5.605 340 HA ASN 46 HA ASN 46 55.606 -30.245 3.316 341 1HB ASN 46 HB2 ASN 46 54.438 -31.653 5.081 342 2HB ASN 46 HB3 ASN 46 53.109 -30.552 4.913 343 1HD2 ASN 46 HD22 ASN 46 52.430 -30.444 2.311 344 2HD2 ASN 46 HD21 ASN 46 52.601 -31.958 1.430 345 HA PRO 47 HA PRO 47 54.490 -25.941 2.423 346 1HB PRO 47 HB2 PRO 47 55.406 -26.982 -0.229 347 2HB PRO 47 HB3 PRO 47 55.558 -25.320 0.478 348 1HG PRO 47 HG2 PRO 47 57.622 -27.083 0.693 349 2HG PRO 47 HG3 PRO 47 57.138 -26.074 2.094 350 1HD PRO 47 HD2 PRO 47 56.646 -28.987 1.643 351 2HD PRO 47 HD3 PRO 47 56.838 -28.084 3.145 352 H SER 48 H SER 48 52.996 -28.589 0.450 353 HA SER 48 HA SER 48 50.596 -26.937 0.614 354 1HB SER 48 HB2 SER 48 50.022 -27.614 -1.561 355 2HB SER 48 HB3 SER 48 51.687 -27.021 -1.564 356 HG SER 48 HG SER 48 50.795 -29.726 -1.711 357 H ASP 49 H ASP 49 51.315 -28.697 2.614 358 HA ASP 49 HA ASP 49 49.514 -31.019 2.562 359 1HB ASP 49 HB2 ASP 49 51.150 -31.192 4.136 360 2HB ASP 49 HB3 ASP 49 51.067 -29.580 4.730 361 HA PRO 50 HA PRO 50 46.199 -28.217 2.218 362 1HB PRO 50 HB2 PRO 50 44.047 -29.834 2.589 363 2HB PRO 50 HB3 PRO 50 45.096 -29.794 1.111 364 1HG PRO 50 HG2 PRO 50 45.148 -31.726 3.471 365 2HG PRO 50 HG3 PRO 50 45.256 -32.127 1.726 366 1HD PRO 50 HD2 PRO 50 47.465 -31.879 3.381 367 2HD PRO 50 HD3 PRO 50 47.514 -31.456 1.636 368 H THR 51 H THR 51 46.458 -29.994 5.263 369 HA THR 51 HA THR 51 44.505 -28.209 6.679 370 HB THR 51 HB THR 51 46.380 -30.401 7.480 371 HG1 THR 51 HG1 THR 51 44.367 -30.994 6.637 372 1HG2 THR 51 HG21 THR 51 44.778 -28.593 9.291 373 2HG2 THR 51 HG22 THR 51 45.438 -30.174 9.796 374 3HG2 THR 51 HG23 THR 51 46.543 -28.871 9.323 375 H ALA 52 H ALA 52 48.069 -28.672 6.380 376 HA ALA 52 HA ALA 52 48.804 -26.374 7.984 377 1HB ALA 52 HB1 ALA 52 50.900 -26.597 6.652 378 2HB ALA 52 HB2 ALA 52 50.363 -28.224 7.146 379 3HB ALA 52 HB3 ALA 52 50.083 -27.668 5.498 380 H LEU 53 H LEU 53 47.964 -26.647 4.575 381 HA LEU 53 HA LEU 53 48.377 -23.846 4.140 382 1HB LEU 53 HB2 LEU 53 48.675 -25.829 2.627 383 2HB LEU 53 HB3 LEU 53 46.938 -25.887 2.382 384 HG LEU 53 HG LEU 53 47.013 -24.127 0.885 385 1HD1 LEU 53 HD11 LEU 53 48.769 -22.354 0.863 386 2HD1 LEU 53 HD12 LEU 53 47.752 -22.338 2.327 387 3HD1 LEU 53 HD13 LEU 53 49.399 -23.029 2.380 388 1HD2 LEU 53 HD21 LEU 53 49.051 -24.333 -0.456 389 2HD2 LEU 53 HD22 LEU 53 49.964 -24.903 0.965 390 3HD2 LEU 53 HD23 LEU 53 48.649 -25.922 0.246 391 H ALA 54 H ALA 54 45.455 -25.840 4.747 392 HA ALA 54 HA ALA 54 43.543 -23.741 4.615 393 1HB ALA 54 HB1 ALA 54 42.268 -25.259 6.228 394 2HB ALA 54 HB2 ALA 54 42.853 -26.093 4.782 395 3HB ALA 54 HB3 ALA 54 43.712 -26.293 6.325 396 H ASN 55 H ASN 55 45.653 -24.866 7.242 397 HA ASN 55 HA ASN 55 44.718 -23.169 9.280 398 1HB ASN 55 HB2 ASN 55 46.027 -25.169 9.743 399 2HB ASN 55 HB3 ASN 55 47.363 -24.582 8.776 400 1HD2 ASN 55 HD22 ASN 55 49.019 -23.950 9.872 401 2HD2 ASN 55 HD21 ASN 55 48.942 -23.275 11.511 402 H TYR 56 H TYR 56 47.652 -22.904 7.269 403 HA TYR 56 HA TYR 56 48.307 -20.185 7.867 404 1HB TYR 56 HB2 TYR 56 49.872 -21.603 6.767 405 2HB TYR 56 HB3 TYR 56 48.757 -21.989 5.468 406 HD1 TYR 56 HD1 TYR 56 51.262 -19.635 6.774 407 HD2 TYR 56 HD2 TYR 56 48.555 -20.539 3.540 408 HE1 TYR 56 HE1 TYR 56 52.675 -18.307 5.222 409 HE2 TYR 56 HE2 TYR 56 49.980 -19.207 1.981 410 HH TYR 56 HH TYR 56 53.020 -17.644 3.050 411 H GLN 57 H GLN 57 46.027 -21.302 5.323 412 HA GLN 57 HA GLN 57 45.504 -18.602 4.484 413 1HB GLN 57 HB2 GLN 57 43.958 -21.187 4.166 414 2HB GLN 57 HB3 GLN 57 43.286 -19.655 3.623 415 1HG GLN 57 HG2 GLN 57 45.998 -20.708 2.716 416 2HG GLN 57 HG3 GLN 57 44.498 -20.929 1.824 417 1HE2 GLN 57 HE22 GLN 57 47.218 -18.945 1.998 418 2HE2 GLN 57 HE21 GLN 57 46.517 -17.522 1.247 419 H MET 58 H MET 58 43.900 -20.617 6.990 420 HA MET 58 HA MET 58 41.823 -18.760 7.645 421 1HB MET 58 HB2 MET 58 41.727 -21.102 8.229 422 2HB MET 58 HB3 MET 58 43.204 -20.969 9.189 423 1HG MET 58 HG2 MET 58 41.951 -19.403 10.745 424 2HG MET 58 HG3 MET 58 40.496 -19.751 9.808 425 1HE MET 58 HE1 MET 58 43.141 -20.975 12.393 426 2HE MET 58 HE2 MET 58 42.778 -22.703 12.584 427 3HE MET 58 HE3 MET 58 43.519 -22.117 11.086 428 H ILE 59 H ILE 59 45.078 -19.235 9.122 429 HA ILE 59 HA ILE 59 44.757 -17.097 11.035 430 HB ILE 59 HB ILE 59 47.150 -18.620 9.930 431 1HG1 ILE 59 HG12 ILE 59 45.751 -18.899 12.645 432 2HG1 ILE 59 HG13 ILE 59 45.432 -19.968 11.281 433 1HG2 ILE 59 HG21 ILE 59 47.056 -16.932 12.456 434 2HG2 ILE 59 HG22 ILE 59 48.447 -17.775 11.715 435 3HG2 ILE 59 HG23 ILE 59 47.749 -16.367 10.931 436 1HD1 ILE 59 HD11 ILE 59 47.724 -20.700 11.206 437 2HD1 ILE 59 HD12 ILE 59 48.168 -19.662 12.576 438 3HD1 ILE 59 HD13 ILE 59 47.025 -20.988 12.818 439 H MET 60 H MET 60 46.097 -17.339 7.722 440 HA MET 60 HA MET 60 47.019 -14.663 7.630 441 1HB MET 60 HB2 MET 60 47.625 -16.555 6.066 442 2HB MET 60 HB3 MET 60 46.120 -16.226 5.201 443 1HG MET 60 HG2 MET 60 46.940 -13.912 4.811 444 2HG MET 60 HG3 MET 60 48.320 -14.247 5.889 445 1HE MET 60 HE1 MET 60 50.855 -16.122 4.067 446 2HE MET 60 HE2 MET 60 50.271 -15.271 5.507 447 3HE MET 60 HE3 MET 60 49.675 -16.918 5.139 448 H SER 61 H SER 61 43.810 -16.021 6.856 449 HA SER 61 HA SER 61 42.585 -13.612 5.928 450 1HB SER 61 HB2 SER 61 41.522 -16.068 7.367 451 2HB SER 61 HB3 SER 61 40.481 -14.672 7.023 452 HG SER 61 HG SER 61 40.439 -16.236 5.338 453 H GLU 62 H GLU 62 42.971 -14.853 9.290 454 HA GLU 62 HA GLU 62 41.818 -12.547 10.542 455 1HB GLU 62 HB2 GLU 62 42.220 -14.869 11.548 456 2HB GLU 62 HB3 GLU 62 43.920 -14.446 11.675 457 1HG GLU 62 HG2 GLU 62 42.994 -14.072 13.810 458 2HG GLU 62 HG3 GLU 62 43.238 -12.472 13.129 459 H TYR 63 H TYR 63 45.209 -13.334 9.792 460 HA TYR 63 HA TYR 63 46.417 -10.999 10.872 461 1HB TYR 63 HB2 TYR 63 47.707 -12.959 10.232 462 2HB TYR 63 HB3 TYR 63 47.203 -12.824 8.560 463 HD1 TYR 63 HD1 TYR 63 48.984 -10.755 11.171 464 HD2 TYR 63 HD2 TYR 63 48.575 -11.851 7.014 465 HE1 TYR 63 HE1 TYR 63 50.948 -9.329 10.590 466 HE2 TYR 63 HE2 TYR 63 50.546 -10.485 6.443 467 HH TYR 63 HH TYR 63 52.184 -9.058 7.239 468 H ASN 64 H ASN 64 45.201 -11.603 7.592 469 HA ASN 64 HA ASN 64 46.104 -9.084 6.565 470 1HB ASN 64 HB2 ASN 64 45.776 -11.105 5.162 471 2HB ASN 64 HB3 ASN 64 44.033 -11.028 5.445 472 1HD2 ASN 64 HD22 ASN 64 46.794 -9.293 3.957 473 2HD2 ASN 64 HD21 ASN 64 45.790 -8.383 2.840 474 H LEU 65 H LEU 65 42.970 -10.258 7.804 475 HA LEU 65 HA LEU 65 41.453 -7.891 7.327 476 1HB LEU 65 HB2 LEU 65 40.437 -10.060 7.832 477 2HB LEU 65 HB3 LEU 65 41.159 -10.053 9.443 478 HG LEU 65 HG LEU 65 39.761 -8.127 10.094 479 1HD1 LEU 65 HD11 LEU 65 37.889 -7.401 8.619 480 2HD1 LEU 65 HD12 LEU 65 39.462 -6.974 7.945 481 3HD1 LEU 65 HD13 LEU 65 38.571 -8.371 7.293 482 1HD2 LEU 65 HD21 LEU 65 38.153 -10.372 8.812 483 2HD2 LEU 65 HD22 LEU 65 38.923 -10.427 10.413 484 3HD2 LEU 65 HD23 LEU 65 37.603 -9.287 10.109 485 H TYR 66 H TYR 66 43.437 -8.834 10.159 486 HA TYR 66 HA TYR 66 42.902 -6.471 11.688 487 1HB TYR 66 HB2 TYR 66 43.903 -8.354 12.776 488 2HB TYR 66 HB3 TYR 66 45.233 -8.405 11.628 489 HD1 TYR 66 HD1 TYR 66 47.228 -8.013 12.780 490 HD2 TYR 66 HD2 TYR 66 43.788 -5.550 13.658 491 HE1 TYR 66 HE1 TYR 66 48.629 -6.561 14.242 492 HE2 TYR 66 HE2 TYR 66 45.199 -4.091 15.088 493 HH TYR 66 HH TYR 66 47.309 -3.658 15.873 494 H ARG 67 H ARG 67 45.565 -7.133 9.406 495 HA ARG 67 HA ARG 67 46.786 -4.525 9.450 496 1HB ARG 67 HB2 ARG 67 46.802 -6.939 7.676 497 2HB ARG 67 HB3 ARG 67 47.243 -5.427 6.900 498 1HG ARG 67 HG2 ARG 67 49.183 -6.663 7.677 499 2HG ARG 67 HG3 ARG 67 49.084 -5.062 8.394 500 1HD ARG 67 HD2 ARG 67 48.104 -7.536 9.872 501 2HD ARG 67 HD3 ARG 67 49.804 -7.106 9.851 502 HE ARG 67 HE ARG 67 47.710 -5.815 11.389 503 1HH1 ARG 67 HH11 ARG 67 50.892 -5.227 10.029 504 2HH1 ARG 67 HH12 ARG 67 51.225 -3.936 11.149 505 1HH2 ARG 67 HH21 ARG 67 48.235 -4.184 12.808 506 2HH2 ARG 67 HH22 ARG 67 49.760 -3.368 12.666 507 H ASN 68 H ASN 68 44.203 -5.733 7.303 508 HA ASN 68 HA ASN 68 43.766 -3.271 5.905 509 1HB ASN 68 HB2 ASN 68 42.959 -5.494 5.143 510 2HB ASN 68 HB3 ASN 68 41.865 -5.575 6.522 511 1HD2 ASN 68 HD22 ASN 68 42.421 -4.089 3.367 512 2HD2 ASN 68 HD21 ASN 68 40.832 -3.345 3.272 513 H ALA 69 H ALA 69 42.099 -4.529 8.802 514 HA ALA 69 HA ALA 69 40.381 -2.296 8.955 515 1HB ALA 69 HB1 ALA 69 41.243 -4.290 11.118 516 2HB ALA 69 HB2 ALA 69 39.839 -3.202 11.233 517 3HB ALA 69 HB3 ALA 69 39.876 -4.473 9.996 518 H GLN 70 H GLN 70 43.480 -2.920 10.640 519 HA GLN 70 HA GLN 70 43.571 -0.599 12.257 520 1HB GLN 70 HB2 GLN 70 45.078 -2.523 12.500 521 2HB GLN 70 HB3 GLN 70 45.790 -2.206 10.918 522 1HG GLN 70 HG2 GLN 70 47.287 -1.463 12.672 523 2HG GLN 70 HG3 GLN 70 46.742 -0.076 11.746 524 1HE2 GLN 70 HE22 GLN 70 45.164 1.411 12.780 525 2HE2 GLN 70 HE21 GLN 70 45.052 1.421 14.541 526 H SER 71 H SER 71 44.529 -1.036 8.833 527 HA SER 71 HA SER 71 45.494 1.699 8.503 528 1HB SER 71 HB2 SER 71 44.606 -0.319 6.397 529 2HB SER 71 HB3 SER 71 45.516 1.175 6.120 530 HG SER 71 HG SER 71 46.336 -1.192 7.459 531 H SER 72 H SER 72 42.455 0.003 7.591 532 HA SER 72 HA SER 72 41.210 2.159 6.261 533 1HB SER 72 HB2 SER 72 40.549 -0.226 6.124 534 2HB SER 72 HB3 SER 72 39.899 -0.132 7.774 535 HG SER 72 HG SER 72 38.306 0.192 6.106 536 H ALA 73 H ALA 73 40.910 1.210 9.744 537 HA ALA 73 HA ALA 73 38.976 3.166 10.405 538 1HB ALA 73 HB1 ALA 73 39.685 2.715 12.738 539 2HB ALA 73 HB2 ALA 73 39.540 1.210 11.809 540 3HB ALA 73 HB3 ALA 73 41.147 1.899 12.142 541 H VAL 74 H VAL 74 42.452 3.598 9.956 542 HA VAL 74 HA VAL 74 42.502 6.313 11.090 543 HB VAL 74 HB VAL 74 44.496 4.481 9.701 544 1HG1 VAL 74 HG11 VAL 74 45.079 6.689 8.971 545 2HG1 VAL 74 HG12 VAL 74 44.914 7.334 10.627 546 3HG1 VAL 74 HG13 VAL 74 46.215 6.182 10.223 547 1HG2 VAL 74 HG21 VAL 74 43.985 3.978 12.078 548 2HG2 VAL 74 HG22 VAL 74 45.641 4.559 11.876 549 3HG2 VAL 74 HG23 VAL 74 44.393 5.651 12.515 550 H LYS 75 H LYS 75 42.815 4.767 7.842 551 HA LYS 75 HA LYS 75 42.950 7.199 6.340 552 1HB LYS 75 HB2 LYS 75 42.190 4.346 5.595 553 2HB LYS 75 HB3 LYS 75 42.326 5.649 4.409 554 1HG LYS 75 HG2 LYS 75 44.666 6.042 5.003 555 2HG LYS 75 HG3 LYS 75 44.599 4.797 6.260 556 1HD LYS 75 HD2 LYS 75 44.125 3.071 4.546 557 2HD LYS 75 HD3 LYS 75 44.157 4.319 3.279 558 1HE LYS 75 HE2 LYS 75 46.511 4.870 3.916 559 2HE LYS 75 HE3 LYS 75 46.478 3.582 5.125 560 1HZ LYS 75 HZ1 LYS 75 46.155 3.191 2.193 561 2HZ LYS 75 HZ2 LYS 75 47.491 2.826 3.051 562 3HZ LYS 75 HZ3 LYS 75 46.114 1.988 3.298 563 H SER 76 H SER 76 40.158 5.522 7.552 564 HA SER 76 HA SER 76 38.304 7.360 6.089 565 1HB SER 76 HB2 SER 76 37.807 4.625 7.324 566 2HB SER 76 HB3 SER 76 36.622 5.604 6.442 567 HG SER 76 HG SER 76 37.693 3.973 5.147 568 H MET 77 H MET 77 39.734 7.579 8.958 569 HA MET 77 HA MET 77 37.849 7.436 10.985 570 1HB MET 77 HB2 MET 77 40.310 7.906 11.178 571 2HB MET 77 HB3 MET 77 39.995 9.580 10.709 572 1HG MET 77 HG2 MET 77 38.546 9.859 12.698 573 2HG MET 77 HG3 MET 77 38.799 8.160 13.125 574 1HE MET 77 HE1 MET 77 39.205 10.584 15.142 575 2HE MET 77 HE2 MET 77 39.456 8.876 15.574 576 3HE MET 77 HE3 MET 77 40.704 10.082 15.955 577 H LYS 78 H LYS 78 38.255 10.143 8.709 578 HA LYS 78 HA LYS 78 36.354 11.952 9.897 579 1HB LYS 78 HB2 LYS 78 37.410 11.699 7.048 580 2HB LYS 78 HB3 LYS 78 36.411 13.039 7.630 581 1HG LYS 78 HG2 LYS 78 38.112 13.613 9.328 582 2HG LYS 78 HG3 LYS 78 39.144 12.287 8.762 583 1HD LYS 78 HD2 LYS 78 39.281 13.338 6.520 584 2HD LYS 78 HD3 LYS 78 38.253 14.675 7.087 585 1HE LYS 78 HE2 LYS 78 39.934 15.219 8.837 586 2HE LYS 78 HE3 LYS 78 40.958 13.892 8.272 587 1HZ LYS 78 HZ1 LYS 78 41.144 15.041 6.126 588 2HZ LYS 78 HZ2 LYS 78 40.203 16.269 6.652 589 3HZ LYS 78 HZ3 LYS 78 41.664 16.012 7.329 590 H ASP 79 H ASP 79 35.826 9.118 7.939 591 HA ASP 79 HA ASP 79 32.985 9.808 7.402 592 1HB ASP 79 HB2 ASP 79 34.372 8.658 5.676 593 2HB ASP 79 HB3 ASP 79 34.578 7.292 6.768 594 H ILE 80 H ILE 80 34.946 7.498 9.354 595 HA ILE 80 HA ILE 80 32.814 6.185 10.701 596 HB ILE 80 HB ILE 80 35.586 6.877 11.739 597 1HG1 ILE 80 HG12 ILE 80 35.767 5.547 9.698 598 2HG1 ILE 80 HG13 ILE 80 36.258 4.619 11.092 599 1HG2 ILE 80 HG21 ILE 80 35.270 4.882 13.241 600 2HG2 ILE 80 HG22 ILE 80 34.252 6.264 13.638 601 3HG2 ILE 80 HG23 ILE 80 33.552 4.872 12.786 602 1HD1 ILE 80 HD11 ILE 80 34.086 3.395 11.045 603 2HD1 ILE 80 HD12 ILE 80 33.591 4.355 9.628 604 3HD1 ILE 80 HD13 ILE 80 34.973 3.256 9.520 605 H ASP 81 H ASP 81 34.292 9.327 11.385 606 HA ASP 81 HA ASP 81 33.007 9.958 13.802 607 1HB ASP 81 HB2 ASP 81 34.874 11.185 12.664 608 2HB ASP 81 HB3 ASP 81 33.703 11.843 11.522 609 H SER 82 H SER 82 31.482 9.652 10.706 610 HA SER 82 HA SER 82 28.926 10.835 11.754 611 1HB SER 82 HB2 SER 82 29.964 10.807 8.898 612 2HB SER 82 HB3 SER 82 28.369 11.385 9.413 613 HG SER 82 HG SER 82 29.888 13.097 9.200 614 H SER 83 H SER 83 30.426 7.992 10.695 615 HA SER 83 HA SER 83 27.840 6.558 10.266 616 1HB SER 83 HB2 SER 83 30.355 6.363 8.563 617 2HB SER 83 HB3 SER 83 28.929 5.321 8.415 618 HG SER 83 HG SER 83 28.947 7.110 6.933 619 H ILE 84 H ILE 84 29.128 6.635 12.682 620 HA ILE 84 HA ILE 84 31.057 4.693 13.229 621 HB ILE 84 HB ILE 84 30.373 6.601 14.655 622 1HG1 ILE 84 HG12 ILE 84 30.599 5.618 16.858 623 2HG1 ILE 84 HG13 ILE 84 30.251 4.009 16.243 624 1HG2 ILE 84 HG21 ILE 84 27.985 4.903 15.500 625 2HG2 ILE 84 HG22 ILE 84 28.456 6.481 16.151 626 3HG2 ILE 84 HG23 ILE 84 27.899 6.357 14.482 627 1HD1 ILE 84 HD11 ILE 84 32.675 4.413 16.628 628 2HD1 ILE 84 HD12 ILE 84 32.348 4.042 14.930 629 3HD1 ILE 84 HD13 ILE 84 32.644 5.726 15.435 630 H LEU 85 H LEU 85 27.726 4.092 12.556 631 HA LEU 85 HA LEU 85 27.241 1.758 14.111 632 1HB LEU 85 HB2 LEU 85 26.052 2.566 11.425 633 2HB LEU 85 HB3 LEU 85 25.371 1.384 12.536 634 HG LEU 85 HG LEU 85 25.648 4.376 13.064 635 1HD1 LEU 85 HD11 LEU 85 23.201 2.627 12.589 636 2HD1 LEU 85 HD12 LEU 85 23.198 4.370 12.942 637 3HD1 LEU 85 HD13 LEU 85 23.901 3.778 11.429 638 1HD2 LEU 85 HD21 LEU 85 25.841 3.166 15.192 639 2HD2 LEU 85 HD22 LEU 85 24.258 3.935 15.077 640 3HD2 LEU 85 HD23 LEU 85 24.409 2.186 14.791 641 H GLU 86 H GLU 86 27.066 -0.422 13.533 642 HA GLU 86 HA GLU 86 28.931 -1.400 11.390 643 1HB GLU 86 HB2 GLU 86 28.688 -2.344 14.277 644 2HB GLU 86 HB3 GLU 86 29.707 -3.081 13.037 645 1HG GLU 86 HG2 GLU 86 30.950 -0.918 12.808 646 2HG GLU 86 HG3 GLU 86 30.018 -0.276 14.167 647 H HIS 87 H HIS 87 25.760 -1.417 12.000 648 HA HIS 87 HA HIS 87 25.303 -4.273 11.248 649 1HB HIS 87 HB2 HIS 87 23.827 -2.776 13.447 650 2HB HIS 87 HB3 HIS 87 23.569 -4.448 12.961 651 HD1 HIS 87 HD1 HIS 87 26.256 -5.843 13.193 652 HD2 HIS 87 HD2 HIS 87 25.092 -2.663 15.691 653 HE1 HIS 87 HE1 HIS 87 27.685 -6.029 15.295 654 H HIS 88 H HIS 88 22.982 -4.685 10.716 655 HA HIS 88 HA HIS 88 21.398 -2.448 9.641 656 1HB HIS 88 HB2 HIS 88 22.982 -3.118 7.813 657 2HB HIS 88 HB3 HIS 88 22.359 -4.763 7.899 658 HD1 HIS 88 HD1 HIS 88 19.930 -5.167 6.765 659 HD2 HIS 88 HD2 HIS 88 21.322 -1.192 6.789 660 HE1 HIS 88 HE1 HIS 88 18.379 -3.858 5.221 661 H HIS 89 H HIS 89 19.242 -3.244 8.896 662 HA HIS 89 HA HIS 89 17.917 -5.048 10.675 663 1HB HIS 89 HB2 HIS 89 17.066 -4.095 7.912 664 2HB HIS 89 HB3 HIS 89 16.012 -4.740 9.167 665 HD1 HIS 89 HD1 HIS 89 16.068 -3.082 11.556 666 HD2 HIS 89 HD2 HIS 89 17.207 -1.505 7.821 667 HE1 HIS 89 HE1 HIS 89 15.927 -0.547 11.778 668 H HIS 90 H HIS 90 16.812 -7.027 10.136 669 HA HIS 90 HA HIS 90 18.489 -9.051 9.105 670 1HB HIS 90 HB2 HIS 90 16.745 -9.287 10.859 671 2HB HIS 90 HB3 HIS 90 15.492 -9.081 9.636 672 HD1 HIS 90 HD1 HIS 90 14.529 -11.383 8.900 673 HD2 HIS 90 HD2 HIS 90 18.559 -11.506 10.113 674 HE1 HIS 90 HE1 HIS 90 15.249 -13.822 8.735 675 H HIS 91 H HIS 91 16.175 -7.092 7.362 676 HA HIS 91 HA HIS 91 16.769 -8.504 4.840 677 1HB HIS 91 HB2 HIS 91 14.679 -9.497 5.965 678 2HB HIS 91 HB3 HIS 91 13.900 -7.944 5.686 679 HD1 HIS 91 HD1 HIS 91 15.857 -10.492 3.442 680 HD2 HIS 91 HD2 HIS 91 12.426 -8.054 3.538 681 HE1 HIS 91 HE1 HIS 91 14.638 -10.887 1.237 682 H HIS 92 H HIS 92 15.615 -7.244 2.973 683 HA HIS 92 HA HIS 92 15.730 -4.306 3.348 684 1HB HIS 92 HB2 HIS 92 17.417 -4.124 1.535 685 2HB HIS 92 HB3 HIS 92 18.025 -4.862 3.008 686 HD1 HIS 92 HD1 HIS 92 16.138 -6.966 0.436 687 HD2 HIS 92 HD2 HIS 92 20.031 -6.149 1.783 688 HE1 HIS 92 HE1 HIS 92 17.663 -8.739 -0.652 Start of MODEL 6 1 1H MET 1 H1 MET 1 27.151 -33.464 58.514 2 2H MET 1 H2 MET 1 28.150 -32.500 57.641 3 3H MET 1 H3 MET 1 26.829 -31.868 58.369 4 HA MET 1 HA MET 1 26.410 -32.074 56.021 5 1HB MET 1 HB2 MET 1 27.170 -34.974 56.541 6 2HB MET 1 HB3 MET 1 26.133 -34.517 55.189 7 1HG MET 1 HG2 MET 1 28.941 -33.448 55.645 8 2HG MET 1 HG3 MET 1 28.476 -34.716 54.514 9 1HE MET 1 HE1 MET 1 29.662 -33.520 52.518 10 2HE MET 1 HE2 MET 1 29.391 -31.822 52.069 11 3HE MET 1 HE3 MET 1 30.187 -32.216 53.609 12 H SER 2 H SER 2 24.312 -32.053 55.467 13 HA SER 2 HA SER 2 22.300 -33.570 57.092 14 1HB SER 2 HB2 SER 2 20.941 -31.540 57.205 15 2HB SER 2 HB3 SER 2 22.527 -31.263 57.944 16 HG SER 2 HG SER 2 21.972 -29.545 56.554 17 H ASN 3 H ASN 3 23.400 -32.834 53.976 18 HA ASN 3 HA ASN 3 20.988 -33.810 52.643 19 1HB ASN 3 HB2 ASN 3 20.720 -31.809 51.260 20 2HB ASN 3 HB3 ASN 3 20.507 -31.407 52.954 21 1HD2 ASN 3 HD22 ASN 3 22.332 -30.223 54.067 22 2HD2 ASN 3 HD21 ASN 3 23.376 -29.249 53.041 23 HA PRO 4 HA PRO 4 23.909 -35.604 49.842 24 1HB PRO 4 HB2 PRO 4 22.148 -34.524 47.635 25 2HB PRO 4 HB3 PRO 4 22.875 -36.152 47.804 26 1HG PRO 4 HG2 PRO 4 20.279 -35.726 48.466 27 2HG PRO 4 HG3 PRO 4 21.321 -36.748 49.509 28 1HD PRO 4 HD2 PRO 4 20.468 -33.884 49.947 29 2HD PRO 4 HD3 PRO 4 20.649 -35.224 51.113 30 HA PRO 5 HA PRO 5 26.677 -32.234 48.458 31 1HB PRO 5 HB2 PRO 5 27.826 -34.510 46.844 32 2HB PRO 5 HB3 PRO 5 28.684 -33.268 47.807 33 1HG PRO 5 HG2 PRO 5 28.360 -35.769 48.792 34 2HG PRO 5 HG3 PRO 5 28.099 -34.348 49.857 35 1HD PRO 5 HD2 PRO 5 26.025 -36.034 48.435 36 2HD PRO 5 HD3 PRO 5 26.035 -35.418 50.118 37 H THR 6 H THR 6 27.302 -31.192 46.433 38 HA THR 6 HA THR 6 25.792 -31.905 43.961 39 HB THR 6 HB THR 6 25.127 -29.617 43.598 40 HG1 THR 6 HG1 THR 6 25.759 -29.173 46.330 41 1HG2 THR 6 HG21 THR 6 23.977 -30.656 46.214 42 2HG2 THR 6 HG22 THR 6 23.228 -29.498 45.095 43 3HG2 THR 6 HG23 THR 6 23.496 -31.174 44.585 44 HA PRO 7 HA PRO 7 29.327 -31.114 41.632 45 1HB PRO 7 HB2 PRO 7 27.673 -29.273 39.902 46 2HB PRO 7 HB3 PRO 7 28.732 -30.640 39.425 47 1HG PRO 7 HG2 PRO 7 26.038 -30.957 39.502 48 2HG PRO 7 HG3 PRO 7 27.130 -32.245 40.111 49 1HD PRO 7 HD2 PRO 7 25.600 -30.167 41.683 50 2HD PRO 7 HD3 PRO 7 25.789 -31.884 42.000 51 H LEU 8 H LEU 8 31.013 -29.699 41.179 52 HA LEU 8 HA LEU 8 30.892 -26.985 42.448 53 1HB LEU 8 HB2 LEU 8 33.142 -29.031 42.406 54 2HB LEU 8 HB3 LEU 8 33.218 -27.446 43.167 55 HG LEU 8 HG LEU 8 31.371 -29.711 44.030 56 1HD1 LEU 8 HD11 LEU 8 33.878 -28.560 45.320 57 2HD1 LEU 8 HD12 LEU 8 32.837 -29.836 45.993 58 3HD1 LEU 8 HD13 LEU 8 33.750 -30.136 44.506 59 1HD2 LEU 8 HD21 LEU 8 30.972 -28.298 46.036 60 2HD2 LEU 8 HD22 LEU 8 31.892 -26.974 45.284 61 3HD2 LEU 8 HD23 LEU 8 30.360 -27.532 44.571 62 H LEU 9 H LEU 9 30.804 -28.002 39.498 63 HA LEU 9 HA LEU 9 32.800 -26.079 38.398 64 1HB LEU 9 HB2 LEU 9 33.478 -27.561 36.757 65 2HB LEU 9 HB3 LEU 9 33.464 -28.499 38.235 66 HG LEU 9 HG LEU 9 31.435 -28.632 35.952 67 1HD1 LEU 9 HD11 LEU 9 33.465 -30.649 36.991 68 2HD1 LEU 9 HD12 LEU 9 32.346 -30.880 35.629 69 3HD1 LEU 9 HD13 LEU 9 33.632 -29.670 35.517 70 1HD2 LEU 9 HD21 LEU 9 30.183 -29.121 37.973 71 2HD2 LEU 9 HD22 LEU 9 30.512 -30.630 37.131 72 3HD2 LEU 9 HD23 LEU 9 31.479 -30.206 38.560 73 H ALA 10 H ALA 10 29.720 -26.108 38.865 74 HA ALA 10 HA ALA 10 29.011 -24.874 36.232 75 1HB ALA 10 HB1 ALA 10 26.774 -25.863 36.450 76 2HB ALA 10 HB2 ALA 10 28.019 -27.127 36.427 77 3HB ALA 10 HB3 ALA 10 27.251 -26.662 37.963 78 H ASP 11 H ASP 11 28.876 -24.609 39.741 79 HA ASP 11 HA ASP 11 27.072 -22.336 39.843 80 1HB ASP 11 HB2 ASP 11 27.551 -23.897 41.732 81 2HB ASP 11 HB3 ASP 11 29.208 -23.298 41.788 82 H TYR 12 H TYR 12 30.393 -22.710 38.936 83 HA TYR 12 HA TYR 12 30.764 -19.809 38.548 84 1HB TYR 12 HB2 TYR 12 31.624 -20.242 40.818 85 2HB TYR 12 HB3 TYR 12 32.614 -21.563 40.216 86 HD1 TYR 12 HD1 TYR 12 32.056 -17.863 39.826 87 HD2 TYR 12 HD2 TYR 12 34.846 -21.144 39.542 88 HE1 TYR 12 HE1 TYR 12 33.919 -16.252 39.403 89 HE2 TYR 12 HE2 TYR 12 36.699 -19.538 39.133 90 HH TYR 12 HH TYR 12 37.302 -17.340 38.915 91 H GLU 13 H GLU 13 32.354 -19.315 37.014 92 HA GLU 13 HA GLU 13 33.947 -21.305 35.659 93 1HB GLU 13 HB2 GLU 13 32.947 -21.058 33.418 94 2HB GLU 13 HB3 GLU 13 31.935 -21.887 34.564 95 1HG GLU 13 HG2 GLU 13 30.502 -20.548 33.281 96 2HG GLU 13 HG3 GLU 13 30.559 -19.819 34.874 97 H TRP 14 H TRP 14 34.538 -19.927 33.337 98 HA TRP 14 HA TRP 14 36.606 -18.281 34.296 99 1HB TRP 14 HB2 TRP 14 35.657 -18.568 31.433 100 2HB TRP 14 HB3 TRP 14 37.288 -18.214 31.989 101 HD1 TRP 14 HD1 TRP 14 38.618 -20.269 33.213 102 HE1 TRP 14 HE1 TRP 14 38.513 -22.804 32.808 103 HE3 TRP 14 HE3 TRP 14 34.118 -20.514 30.767 104 HZ2 TRP 14 HZ2 TRP 14 36.705 -24.696 31.587 105 HZ3 TRP 14 HZ3 TRP 14 33.225 -22.704 29.999 106 HH2 TRP 14 HH2 TRP 14 34.507 -24.795 30.401 107 H SER 15 H SER 15 34.034 -16.880 34.901 108 HA SER 15 HA SER 15 33.358 -14.804 33.174 109 1HB SER 15 HB2 SER 15 32.393 -13.683 35.119 110 2HB SER 15 HB3 SER 15 32.041 -15.415 35.131 111 HG SER 15 HG SER 15 32.717 -14.652 37.190 112 H GLY 16 H GLY 16 36.052 -14.797 35.465 113 1HA GLY 16 HA2 GLY 16 36.768 -12.020 35.251 114 2HA GLY 16 HA3 GLY 16 37.839 -13.341 35.739 115 H TYR 17 H TYR 17 38.123 -14.909 33.534 116 HA TYR 17 HA TYR 17 39.783 -13.350 31.763 117 1HB TYR 17 HB2 TYR 17 40.249 -15.708 32.287 118 2HB TYR 17 HB3 TYR 17 38.752 -16.196 31.490 119 HD1 TYR 17 HD1 TYR 17 41.990 -14.376 30.872 120 HD2 TYR 17 HD2 TYR 17 38.755 -16.661 29.151 121 HE1 TYR 17 HE1 TYR 17 43.148 -14.362 28.663 122 HE2 TYR 17 HE2 TYR 17 39.921 -16.652 26.951 123 HH TYR 17 HH TYR 17 41.763 -15.965 25.773 124 H LEU 18 H LEU 18 36.463 -14.560 31.486 125 HA LEU 18 HA LEU 18 35.969 -13.907 28.782 126 1HB LEU 18 HB2 LEU 18 34.536 -15.276 30.288 127 2HB LEU 18 HB3 LEU 18 34.080 -13.814 31.162 128 HG LEU 18 HG LEU 18 32.934 -12.938 29.163 129 1HD1 LEU 18 HD11 LEU 18 32.558 -14.441 27.205 130 2HD1 LEU 18 HD12 LEU 18 34.245 -13.946 27.346 131 3HD1 LEU 18 HD13 LEU 18 33.755 -15.578 27.863 132 1HD2 LEU 18 HD21 LEU 18 32.151 -15.803 29.837 133 2HD2 LEU 18 HD22 LEU 18 31.713 -14.354 30.770 134 3HD2 LEU 18 HD23 LEU 18 31.095 -14.563 29.123 135 H THR 19 H THR 19 36.348 -11.750 31.504 136 HA THR 19 HA THR 19 35.554 -9.373 29.869 137 HB THR 19 HB THR 19 36.512 -9.473 32.755 138 HG1 THR 19 HG1 THR 19 34.545 -10.508 32.585 139 1HG2 THR 19 HG21 THR 19 35.448 -7.227 32.874 140 2HG2 THR 19 HG22 THR 19 36.794 -7.247 31.726 141 3HG2 THR 19 HG23 THR 19 35.122 -7.295 31.127 142 H GLY 20 H GLY 20 38.353 -10.765 31.569 143 1HA GLY 20 HA2 GLY 20 40.350 -8.890 31.073 144 2HA GLY 20 HA3 GLY 20 40.602 -10.633 31.246 145 H ILE 21 H ILE 21 39.242 -11.443 28.857 146 HA ILE 21 HA ILE 21 41.211 -11.295 26.887 147 HB ILE 21 HB ILE 21 39.363 -12.952 27.096 148 1HG1 ILE 21 HG12 ILE 21 39.766 -11.796 24.313 149 2HG1 ILE 21 HG13 ILE 21 40.895 -12.846 25.171 150 1HG2 ILE 21 HG21 ILE 21 37.192 -12.566 26.120 151 2HG2 ILE 21 HG22 ILE 21 37.487 -11.269 27.273 152 3HG2 ILE 21 HG23 ILE 21 37.663 -10.959 25.531 153 1HD1 ILE 21 HD11 ILE 21 38.098 -13.591 24.228 154 2HD1 ILE 21 HD12 ILE 21 39.647 -14.181 23.604 155 3HD1 ILE 21 HD13 ILE 21 39.131 -14.630 25.243 156 H GLY 22 H GLY 22 38.762 -8.877 27.558 157 1HA GLY 22 HA2 GLY 22 38.751 -7.292 25.221 158 2HA GLY 22 HA3 GLY 22 38.615 -6.710 26.884 159 H ARG 23 H ARG 23 41.165 -7.432 27.848 160 HA ARG 23 HA ARG 23 42.949 -5.404 26.618 161 1HB ARG 23 HB2 ARG 23 42.614 -5.644 29.083 162 2HB ARG 23 HB3 ARG 23 43.354 -7.240 29.039 163 1HG ARG 23 HG2 ARG 23 44.867 -4.858 27.936 164 2HG ARG 23 HG3 ARG 23 44.712 -5.035 29.679 165 1HD ARG 23 HD2 ARG 23 45.846 -7.135 29.715 166 2HD ARG 23 HD3 ARG 23 45.830 -7.292 27.967 167 HE ARG 23 HE ARG 23 47.664 -5.691 29.583 168 1HH1 ARG 23 HH21 ARG 23 46.412 -6.065 26.305 169 2HH1 ARG 23 HH22 ARG 23 47.712 -5.089 25.638 170 1HH2 ARG 23 HH11 ARG 23 49.319 -4.540 28.582 171 2HH2 ARG 23 HH12 ARG 23 49.296 -4.354 26.846 172 H ALA 24 H ALA 24 42.646 -8.919 26.628 173 HA ALA 24 HA ALA 24 45.274 -9.436 25.558 174 1HB ALA 24 HB1 ALA 24 44.452 -11.663 25.117 175 2HB ALA 24 HB2 ALA 24 43.798 -11.151 26.686 176 3HB ALA 24 HB3 ALA 24 42.769 -11.131 25.230 177 H PHE 25 H PHE 25 42.358 -8.304 23.930 178 HA PHE 25 HA PHE 25 43.230 -9.042 21.355 179 1HB PHE 25 HB2 PHE 25 41.636 -6.556 22.110 180 2HB PHE 25 HB3 PHE 25 41.699 -7.279 20.511 181 HD1 PHE 25 HD1 PHE 25 41.294 -10.189 21.063 182 HD2 PHE 25 HD2 PHE 25 39.383 -6.706 22.747 183 HE1 PHE 25 HE1 PHE 25 39.271 -11.533 21.557 184 HE2 PHE 25 HE2 PHE 25 37.355 -8.055 23.226 185 HZ PHE 25 HZ PHE 25 37.301 -10.474 22.642 186 H ASP 26 H ASP 26 44.396 -6.416 23.343 187 HA ASP 26 HA ASP 26 45.841 -5.007 21.238 188 1HB ASP 26 HB2 ASP 26 45.203 -3.785 23.183 189 2HB ASP 26 HB3 ASP 26 45.845 -4.999 24.267 190 H ASP 27 H ASP 27 46.481 -7.962 22.964 191 HA ASP 27 HA ASP 27 49.352 -7.957 22.090 192 1HB ASP 27 HB2 ASP 27 48.819 -8.575 24.441 193 2HB ASP 27 HB3 ASP 27 47.810 -9.895 23.855 194 H GLY 28 H GLY 28 46.297 -9.666 21.712 195 1HA GLY 28 HA2 GLY 28 46.920 -11.753 19.932 196 2HA GLY 28 HA3 GLY 28 45.343 -11.040 20.216 197 H VAL 29 H VAL 29 48.130 -9.462 18.865 198 HA VAL 29 HA VAL 29 47.042 -9.144 16.123 199 HB VAL 29 HB VAL 29 46.006 -7.353 17.356 200 1HG1 VAL 29 HG11 VAL 29 47.125 -5.683 18.619 201 2HG1 VAL 29 HG12 VAL 29 47.651 -7.242 19.268 202 3HG1 VAL 29 HG13 VAL 29 48.728 -6.305 18.205 203 1HG2 VAL 29 HG21 VAL 29 48.364 -6.249 15.782 204 2HG2 VAL 29 HG22 VAL 29 46.891 -6.932 15.068 205 3HG2 VAL 29 HG23 VAL 29 46.794 -5.463 16.067 206 H LYS 30 H LYS 30 49.626 -8.265 18.412 207 HA LYS 30 HA LYS 30 51.809 -8.356 16.429 208 1HB LYS 30 HB2 LYS 30 51.804 -8.472 19.499 209 2HB LYS 30 HB3 LYS 30 53.232 -8.274 18.485 210 1HG LYS 30 HG2 LYS 30 52.961 -6.049 18.461 211 2HG LYS 30 HG3 LYS 30 51.372 -6.209 17.714 212 1HD LYS 30 HD2 LYS 30 50.395 -6.575 20.025 213 2HD LYS 30 HD3 LYS 30 51.998 -6.235 20.702 214 1HE LYS 30 HE2 LYS 30 51.962 -3.984 19.633 215 2HE LYS 30 HE3 LYS 30 50.374 -4.340 18.940 216 1HZ LYS 30 HZ1 LYS 30 49.528 -4.589 21.232 217 2HZ LYS 30 HZ2 LYS 30 50.976 -4.143 21.842 218 3HZ LYS 30 HZ3 LYS 30 50.092 -3.080 20.971 219 H ASP 31 H ASP 31 50.464 -10.390 18.954 220 HA ASP 31 HA ASP 31 51.810 -12.841 18.621 221 1HB ASP 31 HB2 ASP 31 50.327 -12.194 20.469 222 2HB ASP 31 HB3 ASP 31 48.974 -12.038 19.345 223 H LEU 32 H LEU 32 49.096 -11.479 16.781 224 HA LEU 32 HA LEU 32 48.153 -13.807 15.477 225 1HB LEU 32 HB2 LEU 32 47.276 -11.330 15.688 226 2HB LEU 32 HB3 LEU 32 48.231 -11.033 14.251 227 HG LEU 32 HG LEU 32 45.682 -12.585 14.621 228 1HD1 LEU 32 HD11 LEU 32 45.736 -10.178 14.000 229 2HD1 LEU 32 HD12 LEU 32 46.683 -10.560 12.549 230 3HD1 LEU 32 HD13 LEU 32 45.017 -11.174 12.730 231 1HD2 LEU 32 HD21 LEU 32 47.515 -12.974 12.227 232 2HD2 LEU 32 HD22 LEU 32 46.982 -14.222 13.376 233 3HD2 LEU 32 HD23 LEU 32 45.804 -13.457 12.317 234 H ASN 33 H ASN 33 50.611 -11.440 14.506 235 HA ASN 33 HA ASN 33 51.309 -12.644 11.990 236 1HB ASN 33 HB2 ASN 33 51.894 -10.323 12.557 237 2HB ASN 33 HB3 ASN 33 52.913 -10.869 13.889 238 1HD2 ASN 33 HD22 ASN 33 52.551 -11.421 10.312 239 2HD2 ASN 33 HD21 ASN 33 54.284 -11.422 10.040 240 H LYS 34 H LYS 34 52.416 -13.305 15.296 241 HA LYS 34 HA LYS 34 54.401 -15.253 14.448 242 1HB LYS 34 HB2 LYS 34 54.371 -13.937 16.687 243 2HB LYS 34 HB3 LYS 34 53.112 -15.048 17.195 244 1HG LYS 34 HG2 LYS 34 54.973 -16.008 18.121 245 2HG LYS 34 HG3 LYS 34 54.837 -16.946 16.645 246 1HD LYS 34 HD2 LYS 34 56.736 -14.607 17.159 247 2HD LYS 34 HD3 LYS 34 57.163 -16.321 17.173 248 1HE LYS 34 HE2 LYS 34 56.507 -16.469 14.751 249 2HE LYS 34 HE3 LYS 34 56.210 -14.721 14.765 250 1HZ LYS 34 HZ1 LYS 34 58.557 -14.407 15.371 251 2HZ LYS 34 HZ2 LYS 34 58.832 -16.016 15.211 252 3HZ LYS 34 HZ3 LYS 34 58.358 -15.117 13.915 253 H GLN 35 H GLN 35 50.997 -15.524 15.420 254 HA GLN 35 HA GLN 35 50.810 -18.387 15.229 255 1HB GLN 35 HB2 GLN 35 48.707 -16.296 14.511 256 2HB GLN 35 HB3 GLN 35 48.439 -18.026 14.614 257 1HG GLN 35 HG2 GLN 35 49.023 -17.978 17.032 258 2HG GLN 35 HG3 GLN 35 49.254 -16.235 16.934 259 1HE2 GLN 35 HE22 GLN 35 47.490 -15.493 18.225 260 2HE2 GLN 35 HE21 GLN 35 45.822 -15.895 17.818 261 H LEU 36 H LEU 36 50.598 -15.854 12.735 262 HA LEU 36 HA LEU 36 50.037 -17.692 10.578 263 1HB LEU 36 HB2 LEU 36 49.426 -15.286 10.646 264 2HB LEU 36 HB3 LEU 36 51.130 -14.904 10.377 265 HG LEU 36 HG LEU 36 51.098 -16.181 8.246 266 1HD1 LEU 36 HD11 LEU 36 48.132 -16.610 8.769 267 2HD1 LEU 36 HD12 LEU 36 48.918 -16.799 7.209 268 3HD1 LEU 36 HD13 LEU 36 49.347 -17.886 8.549 269 1HD2 LEU 36 HD21 LEU 36 49.718 -14.566 7.061 270 2HD2 LEU 36 HD22 LEU 36 48.740 -14.323 8.521 271 3HD2 LEU 36 HD23 LEU 36 50.427 -13.755 8.462 272 H GLN 37 H GLN 37 53.115 -16.206 11.696 273 HA GLN 37 HA GLN 37 54.696 -17.555 9.677 274 1HB GLN 37 HB2 GLN 37 55.396 -16.392 12.410 275 2HB GLN 37 HB3 GLN 37 56.596 -17.134 11.340 276 1HG GLN 37 HG2 GLN 37 56.051 -15.513 9.558 277 2HG GLN 37 HG3 GLN 37 54.871 -14.727 10.601 278 1HE2 GLN 37 HE22 GLN 37 56.825 -13.120 9.582 279 2HE2 GLN 37 HE21 GLN 37 57.982 -12.723 10.846 280 H ASP 38 H ASP 38 53.568 -18.590 12.902 281 HA ASP 38 HA ASP 38 54.948 -21.120 12.856 282 1HB ASP 38 HB2 ASP 38 53.957 -20.121 14.897 283 2HB ASP 38 HB3 ASP 38 52.344 -20.402 14.240 284 H ALA 39 H ALA 39 51.734 -20.126 11.600 285 HA ALA 39 HA ALA 39 51.021 -22.664 10.545 286 1HB ALA 39 HB1 ALA 39 49.363 -21.605 9.302 287 2HB ALA 39 HB2 ALA 39 49.606 -20.384 10.613 288 3HB ALA 39 HB3 ALA 39 50.311 -20.130 9.027 289 H GLN 40 H GLN 40 52.868 -19.998 9.125 290 HA GLN 40 HA GLN 40 53.364 -21.237 6.598 291 1HB GLN 40 HB2 GLN 40 53.553 -18.719 7.390 292 2HB GLN 40 HB3 GLN 40 55.155 -19.164 7.952 293 1HG GLN 40 HG2 GLN 40 55.836 -19.795 5.671 294 2HG GLN 40 HG3 GLN 40 54.191 -19.564 5.083 295 1HE2 GLN 40 HE22 GLN 40 54.105 -17.674 3.845 296 2HE2 GLN 40 HE21 GLN 40 54.958 -16.200 4.281 297 H ALA 41 H ALA 41 55.046 -21.571 9.697 298 HA ALA 41 HA ALA 41 57.204 -23.178 8.483 299 1HB ALA 41 HB1 ALA 41 56.478 -22.783 11.402 300 2HB ALA 41 HB2 ALA 41 57.958 -23.534 10.735 301 3HB ALA 41 HB3 ALA 41 57.649 -21.812 10.462 302 H ASN 42 H ASN 42 54.110 -23.987 10.138 303 HA ASN 42 HA ASN 42 54.634 -26.827 9.874 304 1HB ASN 42 HB2 ASN 42 51.912 -25.439 10.064 305 2HB ASN 42 HB3 ASN 42 52.257 -27.134 10.216 306 1HD2 ASN 42 HD22 ASN 42 51.190 -25.130 12.239 307 2HD2 ASN 42 HD21 ASN 42 52.274 -25.297 13.603 308 H LEU 43 H LEU 43 53.345 -24.321 7.735 309 HA LEU 43 HA LEU 43 53.035 -26.072 5.513 310 1HB LEU 43 HB2 LEU 43 52.130 -23.565 6.033 311 2HB LEU 43 HB3 LEU 43 53.616 -23.115 5.219 312 HG LEU 43 HG LEU 43 52.991 -24.536 3.312 313 1HD1 LEU 43 HD11 LEU 43 50.535 -24.735 5.089 314 2HD1 LEU 43 HD12 LEU 43 50.423 -25.015 3.310 315 3HD1 LEU 43 HD13 LEU 43 51.410 -26.081 4.276 316 1HD2 LEU 43 HD21 LEU 43 50.899 -22.455 3.990 317 2HD2 LEU 43 HD22 LEU 43 52.494 -22.126 3.243 318 3HD2 LEU 43 HD23 LEU 43 51.294 -23.114 2.376 319 H THR 44 H THR 44 55.842 -24.186 6.682 320 HA THR 44 HA THR 44 57.422 -24.638 4.380 321 HB THR 44 HB THR 44 58.293 -24.314 7.261 322 HG1 THR 44 HG1 THR 44 57.311 -22.530 6.126 323 1HG2 THR 44 HG21 THR 44 60.060 -25.472 6.269 324 2HG2 THR 44 HG22 THR 44 59.903 -24.573 4.733 325 3HG2 THR 44 HG23 THR 44 60.516 -23.753 6.217 326 H LYS 45 H LYS 45 56.904 -26.637 7.236 327 HA LYS 45 HA LYS 45 58.680 -28.816 6.599 328 1HB LYS 45 HB2 LYS 45 56.069 -28.654 8.121 329 2HB LYS 45 HB3 LYS 45 57.103 -30.085 8.128 330 1HG LYS 45 HG2 LYS 45 58.848 -28.952 9.329 331 2HG LYS 45 HG3 LYS 45 58.104 -27.378 9.071 332 1HD LYS 45 HD2 LYS 45 56.043 -28.398 10.364 333 2HD LYS 45 HD3 LYS 45 57.207 -29.600 10.929 334 1HE LYS 45 HE2 LYS 45 58.600 -27.844 11.910 335 2HE LYS 45 HE3 LYS 45 57.618 -26.583 11.155 336 1HZ LYS 45 HZ1 LYS 45 55.748 -27.225 12.556 337 2HZ LYS 45 HZ2 LYS 45 56.596 -28.464 13.215 338 3HZ LYS 45 HZ3 LYS 45 57.038 -26.922 13.506 339 H ASN 46 H ASN 46 55.380 -28.175 5.478 340 HA ASN 46 HA ASN 46 55.888 -29.857 3.190 341 1HB ASN 46 HB2 ASN 46 54.982 -31.389 4.896 342 2HB ASN 46 HB3 ASN 46 53.571 -30.354 4.994 343 1HD2 ASN 46 HD22 ASN 46 53.621 -33.203 4.258 344 2HD2 ASN 46 HD21 ASN 46 53.170 -33.335 2.564 345 HA PRO 47 HA PRO 47 54.379 -25.714 2.176 346 1HB PRO 47 HB2 PRO 47 55.202 -26.810 -0.482 347 2HB PRO 47 HB3 PRO 47 55.303 -25.119 0.159 348 1HG PRO 47 HG2 PRO 47 57.472 -26.766 0.279 349 2HG PRO 47 HG3 PRO 47 57.042 -25.712 1.666 350 1HD PRO 47 HD2 PRO 47 56.695 -28.666 1.404 351 2HD PRO 47 HD3 PRO 47 56.923 -27.667 2.836 352 H SER 48 H SER 48 52.963 -28.644 0.804 353 HA SER 48 HA SER 48 50.479 -27.134 0.791 354 1HB SER 48 HB2 SER 48 51.008 -26.835 -1.392 355 2HB SER 48 HB3 SER 48 51.478 -28.544 -1.570 356 HG SER 48 HG SER 48 49.179 -28.999 -1.185 357 H ASP 49 H ASP 49 51.483 -28.786 2.741 358 HA ASP 49 HA ASP 49 49.867 -31.231 2.837 359 1HB ASP 49 HB2 ASP 49 51.590 -31.216 4.337 360 2HB ASP 49 HB3 ASP 49 51.421 -29.584 4.859 361 HA PRO 50 HA PRO 50 46.335 -28.707 2.569 362 1HB PRO 50 HB2 PRO 50 44.334 -30.469 3.102 363 2HB PRO 50 HB3 PRO 50 45.301 -30.389 1.571 364 1HG PRO 50 HG2 PRO 50 45.618 -32.249 3.968 365 2HG PRO 50 HG3 PRO 50 45.682 -32.684 2.228 366 1HD PRO 50 HD2 PRO 50 47.931 -32.217 3.783 367 2HD PRO 50 HD3 PRO 50 47.876 -31.854 2.026 368 H THR 51 H THR 51 46.874 -30.343 5.658 369 HA THR 51 HA THR 51 44.865 -28.642 7.097 370 HB THR 51 HB THR 51 46.870 -30.717 7.869 371 HG1 THR 51 HG1 THR 51 44.813 -31.376 7.178 372 1HG2 THR 51 HG21 THR 51 47.108 -29.117 9.650 373 2HG2 THR 51 HG22 THR 51 45.338 -28.889 9.721 374 3HG2 THR 51 HG23 THR 51 46.071 -30.435 10.234 375 H ALA 52 H ALA 52 48.436 -28.862 6.630 376 HA ALA 52 HA ALA 52 49.066 -26.463 8.130 377 1HB ALA 52 HB1 ALA 52 50.330 -27.715 5.612 378 2HB ALA 52 HB2 ALA 52 51.116 -26.565 6.707 379 3HB ALA 52 HB3 ALA 52 50.725 -28.217 7.253 380 H LEU 53 H LEU 53 48.080 -26.907 4.780 381 HA LEU 53 HA LEU 53 48.237 -24.094 4.256 382 1HB LEU 53 HB2 LEU 53 48.610 -26.092 2.775 383 2HB LEU 53 HB3 LEU 53 46.874 -26.294 2.635 384 HG LEU 53 HG LEU 53 46.713 -24.565 1.105 385 1HD1 LEU 53 HD11 LEU 53 48.337 -22.671 0.931 386 2HD1 LEU 53 HD12 LEU 53 47.409 -22.683 2.456 387 3HD1 LEU 53 HD13 LEU 53 49.099 -23.258 2.423 388 1HD2 LEU 53 HD21 LEU 53 48.446 -26.250 0.406 389 2HD2 LEU 53 HD22 LEU 53 48.672 -24.657 -0.360 390 3HD2 LEU 53 HD23 LEU 53 49.716 -25.111 1.012 391 H ALA 54 H ALA 54 45.513 -26.299 5.062 392 HA ALA 54 HA ALA 54 43.439 -24.359 4.978 393 1HB ALA 54 HB1 ALA 54 42.959 -26.759 5.237 394 2HB ALA 54 HB2 ALA 54 43.883 -26.830 6.752 395 3HB ALA 54 HB3 ALA 54 42.357 -25.922 6.676 396 H ASN 55 H ASN 55 45.757 -25.226 7.526 397 HA ASN 55 HA ASN 55 44.782 -23.535 9.564 398 1HB ASN 55 HB2 ASN 55 46.276 -25.415 10.011 399 2HB ASN 55 HB3 ASN 55 47.505 -24.763 8.951 400 1HD2 ASN 55 HD22 ASN 55 49.158 -23.914 9.903 401 2HD2 ASN 55 HD21 ASN 55 49.117 -23.186 11.525 402 H TYR 56 H TYR 56 47.583 -23.115 7.388 403 HA TYR 56 HA TYR 56 48.062 -20.339 7.868 404 1HB TYR 56 HB2 TYR 56 49.613 -21.747 6.698 405 2HB TYR 56 HB3 TYR 56 48.454 -22.118 5.434 406 HD1 TYR 56 HD1 TYR 56 48.347 -20.741 3.474 407 HD2 TYR 56 HD2 TYR 56 50.782 -19.588 6.846 408 HE1 TYR 56 HE1 TYR 56 49.762 -19.350 1.977 409 HE2 TYR 56 HE2 TYR 56 52.160 -18.161 5.357 410 HH TYR 56 HH TYR 56 51.637 -18.021 1.818 411 H GLN 57 H GLN 57 45.734 -21.703 5.497 412 HA GLN 57 HA GLN 57 44.928 -19.100 4.586 413 1HB GLN 57 HB2 GLN 57 43.581 -21.818 4.539 414 2HB GLN 57 HB3 GLN 57 42.763 -20.386 3.926 415 1HG GLN 57 HG2 GLN 57 45.512 -21.210 2.913 416 2HG GLN 57 HG3 GLN 57 44.010 -21.803 2.207 417 1HE2 GLN 57 HE22 GLN 57 42.613 -20.281 1.049 418 2HE2 GLN 57 HE21 GLN 57 43.259 -18.727 0.543 419 H MET 58 H MET 58 43.663 -21.125 7.257 420 HA MET 58 HA MET 58 41.481 -19.394 7.953 421 1HB MET 58 HB2 MET 58 41.515 -21.710 8.529 422 2HB MET 58 HB3 MET 58 43.005 -21.551 9.459 423 1HG MET 58 HG2 MET 58 40.472 -20.078 10.195 424 2HG MET 58 HG3 MET 58 40.733 -21.741 10.690 425 1HE MET 58 HE1 MET 58 43.706 -22.052 11.582 426 2HE MET 58 HE2 MET 58 43.583 -21.600 13.294 427 3HE MET 58 HE3 MET 58 42.306 -22.579 12.542 428 H ILE 59 H ILE 59 44.826 -19.615 9.264 429 HA ILE 59 HA ILE 59 44.455 -17.454 11.143 430 HB ILE 59 HB ILE 59 46.874 -18.854 9.940 431 1HG1 ILE 59 HG12 ILE 59 45.652 -19.107 12.745 432 2HG1 ILE 59 HG13 ILE 59 45.311 -20.231 11.436 433 1HG2 ILE 59 HG21 ILE 59 47.415 -16.543 10.823 434 2HG2 ILE 59 HG22 ILE 59 46.852 -17.087 12.409 435 3HG2 ILE 59 HG23 ILE 59 48.233 -17.887 11.602 436 1HD1 ILE 59 HD11 ILE 59 47.037 -21.126 12.897 437 2HD1 ILE 59 HD12 ILE 59 47.637 -20.843 11.241 438 3HD1 ILE 59 HD13 ILE 59 48.094 -19.751 12.563 439 H MET 60 H MET 60 45.628 -17.676 7.755 440 HA MET 60 HA MET 60 46.357 -14.949 7.601 441 1HB MET 60 HB2 MET 60 47.006 -16.804 6.032 442 2HB MET 60 HB3 MET 60 45.442 -16.579 5.230 443 1HG MET 60 HG2 MET 60 46.106 -14.198 4.834 444 2HG MET 60 HG3 MET 60 47.581 -14.489 5.795 445 1HE MET 60 HE1 MET 60 49.537 -15.514 5.226 446 2HE MET 60 HE2 MET 60 48.919 -17.152 4.878 447 3HE MET 60 HE3 MET 60 49.992 -16.323 3.719 448 H SER 61 H SER 61 43.246 -16.549 7.078 449 HA SER 61 HA SER 61 41.746 -14.304 6.121 450 1HB SER 61 HB2 SER 61 40.878 -16.732 7.752 451 2HB SER 61 HB3 SER 61 39.773 -15.538 7.049 452 HG SER 61 HG SER 61 41.611 -17.237 5.693 453 H GLU 62 H GLU 62 42.602 -15.303 9.448 454 HA GLU 62 HA GLU 62 41.235 -13.048 10.712 455 1HB GLU 62 HB2 GLU 62 41.803 -15.250 11.836 456 2HB GLU 62 HB3 GLU 62 43.504 -14.818 11.740 457 1HG GLU 62 HG2 GLU 62 42.825 -14.307 13.939 458 2HG GLU 62 HG3 GLU 62 42.984 -12.755 13.134 459 H TYR 63 H TYR 63 44.599 -13.723 9.758 460 HA TYR 63 HA TYR 63 45.825 -11.383 10.698 461 1HB TYR 63 HB2 TYR 63 47.059 -13.332 9.932 462 2HB TYR 63 HB3 TYR 63 46.477 -13.089 8.293 463 HD1 TYR 63 HD1 TYR 63 47.670 -11.938 6.730 464 HD2 TYR 63 HD2 TYR 63 48.527 -11.332 10.919 465 HE1 TYR 63 HE1 TYR 63 49.710 -10.700 6.123 466 HE2 TYR 63 HE2 TYR 63 50.558 -10.036 10.312 467 HH TYR 63 HH TYR 63 51.924 -9.322 8.622 468 H ASN 64 H ASN 64 44.272 -11.878 7.542 469 HA ASN 64 HA ASN 64 45.208 -9.514 6.379 470 1HB ASN 64 HB2 ASN 64 44.227 -11.457 5.176 471 2HB ASN 64 HB3 ASN 64 42.624 -11.025 5.776 472 1HD2 ASN 64 HD22 ASN 64 41.432 -9.921 4.235 473 2HD2 ASN 64 HD21 ASN 64 42.139 -8.864 3.022 474 H LEU 65 H LEU 65 42.557 -9.884 8.654 475 HA LEU 65 HA LEU 65 41.166 -7.399 8.155 476 1HB LEU 65 HB2 LEU 65 40.317 -9.479 9.295 477 2HB LEU 65 HB3 LEU 65 41.291 -9.090 10.698 478 HG LEU 65 HG LEU 65 39.094 -7.295 9.566 479 1HD1 LEU 65 HD11 LEU 65 37.705 -8.143 11.411 480 2HD1 LEU 65 HD12 LEU 65 38.202 -9.462 10.343 481 3HD1 LEU 65 HD13 LEU 65 39.014 -9.243 11.909 482 1HD2 LEU 65 HD21 LEU 65 39.109 -6.313 11.888 483 2HD2 LEU 65 HD22 LEU 65 40.594 -7.229 12.225 484 3HD2 LEU 65 HD23 LEU 65 40.566 -5.961 10.974 485 H TYR 66 H TYR 66 43.426 -8.387 10.731 486 HA TYR 66 HA TYR 66 44.026 -5.682 11.690 487 1HB TYR 66 HB2 TYR 66 45.388 -8.388 12.066 488 2HB TYR 66 HB3 TYR 66 45.875 -6.913 12.889 489 HD1 TYR 66 HD1 TYR 66 43.254 -9.533 12.693 490 HD2 TYR 66 HD2 TYR 66 44.518 -5.903 14.656 491 HE1 TYR 66 HE1 TYR 66 41.615 -9.948 14.503 492 HE2 TYR 66 HE2 TYR 66 42.876 -6.332 16.487 493 HH TYR 66 HH TYR 66 40.733 -9.206 16.486 494 H ARG 67 H ARG 67 45.362 -7.596 9.044 495 HA ARG 67 HA ARG 67 47.832 -6.326 8.793 496 1HB ARG 67 HB2 ARG 67 47.099 -8.276 7.439 497 2HB ARG 67 HB3 ARG 67 46.000 -7.224 6.536 498 1HG ARG 67 HG2 ARG 67 47.976 -7.617 5.212 499 2HG ARG 67 HG3 ARG 67 47.942 -5.928 5.697 500 1HD ARG 67 HD2 ARG 67 49.499 -6.768 7.699 501 2HD ARG 67 HD3 ARG 67 49.698 -8.178 6.677 502 HE ARG 67 HE ARG 67 50.231 -5.377 5.702 503 1HH1 ARG 67 HH21 ARG 67 51.631 -8.564 6.212 504 2HH1 ARG 67 HH22 ARG 67 52.919 -8.251 5.080 505 1HH2 ARG 67 HH11 ARG 67 51.873 -5.062 4.324 506 2HH2 ARG 67 HH12 ARG 67 53.072 -6.299 4.065 507 H ASN 68 H ASN 68 44.702 -4.994 7.815 508 HA ASN 68 HA ASN 68 45.702 -2.639 6.509 509 1HB ASN 68 HB2 ASN 68 43.351 -3.516 6.384 510 2HB ASN 68 HB3 ASN 68 43.118 -3.075 8.078 511 1HD2 ASN 68 HD22 ASN 68 42.010 -1.150 8.290 512 2HD2 ASN 68 HD21 ASN 68 42.128 0.180 7.147 513 H ALA 69 H ALA 69 45.588 -3.441 9.897 514 HA ALA 69 HA ALA 69 46.271 -0.667 10.667 515 1HB ALA 69 HB1 ALA 69 44.573 -1.745 12.020 516 2HB ALA 69 HB2 ALA 69 45.524 -3.222 12.212 517 3HB ALA 69 HB3 ALA 69 46.052 -1.708 12.998 518 H GLN 70 H GLN 70 47.650 -3.983 10.832 519 HA GLN 70 HA GLN 70 50.145 -3.299 11.978 520 1HB GLN 70 HB2 GLN 70 49.172 -5.568 11.869 521 2HB GLN 70 HB3 GLN 70 49.389 -5.585 10.122 522 1HG GLN 70 HG2 GLN 70 51.121 -6.902 11.250 523 2HG GLN 70 HG3 GLN 70 51.809 -5.566 10.346 524 1HE2 GLN 70 HE22 GLN 70 53.743 -5.321 11.563 525 2HE2 GLN 70 HE21 GLN 70 53.723 -4.884 13.264 526 H SER 71 H SER 71 49.158 -3.172 8.538 527 HA SER 71 HA SER 71 51.715 -2.901 7.384 528 1HB SER 71 HB2 SER 71 49.126 -1.616 6.468 529 2HB SER 71 HB3 SER 71 50.616 -1.752 5.513 530 HG SER 71 HG SER 71 48.905 -3.785 6.470 531 H SER 72 H SER 72 49.933 -0.540 9.258 532 HA SER 72 HA SER 72 51.345 1.842 8.566 533 1HB SER 72 HB2 SER 72 49.202 1.558 9.951 534 2HB SER 72 HB3 SER 72 50.247 1.105 11.302 535 HG SER 72 HG SER 72 50.175 3.579 9.872 536 H ALA 73 H ALA 73 52.274 -0.904 10.610 537 HA ALA 73 HA ALA 73 54.756 0.444 11.520 538 1HB ALA 73 HB1 ALA 73 55.051 -1.582 12.870 539 2HB ALA 73 HB2 ALA 73 53.444 -0.881 13.140 540 3HB ALA 73 HB3 ALA 73 53.622 -2.321 12.111 541 H VAL 74 H VAL 74 53.739 -2.095 9.202 542 HA VAL 74 HA VAL 74 56.278 -3.073 8.477 543 HB VAL 74 HB VAL 74 53.767 -2.732 6.814 544 1HG1 VAL 74 HG11 VAL 74 54.689 -4.600 5.484 545 2HG1 VAL 74 HG12 VAL 74 55.639 -3.118 5.352 546 3HG1 VAL 74 HG13 VAL 74 56.218 -4.448 6.388 547 1HG2 VAL 74 HG21 VAL 74 53.451 -4.170 8.857 548 2HG2 VAL 74 HG22 VAL 74 53.354 -5.106 7.370 549 3HG2 VAL 74 HG23 VAL 74 54.834 -5.151 8.352 550 H LYS 75 H LYS 75 54.604 -0.123 7.496 551 HA LYS 75 HA LYS 75 56.280 0.938 5.525 552 1HB LYS 75 HB2 LYS 75 54.115 1.845 6.356 553 2HB LYS 75 HB3 LYS 75 54.897 2.345 7.849 554 1HG LYS 75 HG2 LYS 75 54.519 4.225 6.361 555 2HG LYS 75 HG3 LYS 75 56.240 3.998 6.653 556 1HD LYS 75 HD2 LYS 75 56.513 2.968 4.417 557 2HD LYS 75 HD3 LYS 75 54.762 2.990 4.177 558 1HE LYS 75 HE2 LYS 75 55.716 4.808 2.926 559 2HE LYS 75 HE3 LYS 75 54.767 5.469 4.259 560 1HZ LYS 75 HZ1 LYS 75 56.842 5.854 5.469 561 2HZ LYS 75 HZ2 LYS 75 57.730 5.185 4.267 562 3HZ LYS 75 HZ3 LYS 75 56.926 6.582 4.015 563 H SER 76 H SER 76 57.155 0.418 8.841 564 HA SER 76 HA SER 76 59.788 1.819 8.431 565 1HB SER 76 HB2 SER 76 58.333 2.754 10.242 566 2HB SER 76 HB3 SER 76 58.336 1.168 11.026 567 HG SER 76 HG SER 76 60.538 2.929 10.570 568 H MET 77 H MET 77 58.230 -1.186 9.702 569 HA MET 77 HA MET 77 60.608 -2.565 10.346 570 1HB MET 77 HB2 MET 77 58.195 -3.191 10.861 571 2HB MET 77 HB3 MET 77 58.102 -3.854 9.220 572 1HG MET 77 HG2 MET 77 59.932 -5.414 9.729 573 2HG MET 77 HG3 MET 77 60.095 -4.712 11.345 574 1HE MET 77 HE1 MET 77 59.796 -7.838 10.774 575 2HE MET 77 HE2 MET 77 59.980 -7.123 12.393 576 3HE MET 77 HE3 MET 77 58.674 -8.286 12.077 577 H LYS 78 H LYS 78 59.226 -1.992 7.129 578 HA LYS 78 HA LYS 78 60.750 -3.800 5.593 579 1HB LYS 78 HB2 LYS 78 60.413 -2.323 3.738 580 2HB LYS 78 HB3 LYS 78 58.942 -2.413 4.705 581 1HG LYS 78 HG2 LYS 78 59.579 -0.214 5.785 582 2HG LYS 78 HG3 LYS 78 60.955 -0.109 4.687 583 1HD LYS 78 HD2 LYS 78 58.027 -0.236 3.843 584 2HD LYS 78 HD3 LYS 78 59.014 1.230 3.937 585 1HE LYS 78 HE2 LYS 78 60.587 0.269 2.250 586 2HE LYS 78 HE3 LYS 78 59.554 -1.159 2.113 587 1HZ LYS 78 HZ1 LYS 78 59.063 0.444 0.367 588 2HZ LYS 78 HZ2 LYS 78 57.757 0.297 1.332 589 3HZ LYS 78 HZ3 LYS 78 58.721 1.615 1.447 590 H ASP 79 H ASP 79 61.923 -0.950 7.278 591 HA ASP 79 HA ASP 79 64.447 -0.697 5.910 592 1HB ASP 79 HB2 ASP 79 63.326 1.019 7.391 593 2HB ASP 79 HB3 ASP 79 63.734 0.013 8.780 594 H ILE 80 H ILE 80 63.303 -2.800 8.517 595 HA ILE 80 HA ILE 80 65.957 -3.928 9.123 596 HB ILE 80 HB ILE 80 63.192 -4.927 9.920 597 1HG1 ILE 80 HG12 ILE 80 63.373 -2.691 10.816 598 2HG1 ILE 80 HG13 ILE 80 63.542 -3.858 12.108 599 1HG2 ILE 80 HG21 ILE 80 64.844 -6.665 10.170 600 2HG2 ILE 80 HG22 ILE 80 65.959 -5.569 11.009 601 3HG2 ILE 80 HG23 ILE 80 64.427 -6.053 11.769 602 1HD1 ILE 80 HD11 ILE 80 65.829 -2.302 10.816 603 2HD1 ILE 80 HD12 ILE 80 65.108 -2.007 12.406 604 3HD1 ILE 80 HD13 ILE 80 66.012 -3.502 12.120 605 H ASP 81 H ASP 81 63.002 -4.888 7.388 606 HA ASP 81 HA ASP 81 63.795 -7.455 6.528 607 1HB ASP 81 HB2 ASP 81 61.509 -6.442 6.377 608 2HB ASP 81 HB3 ASP 81 62.073 -5.463 5.021 609 H SER 82 H SER 82 64.491 -4.319 5.043 610 HA SER 82 HA SER 82 65.750 -5.008 2.660 611 1HB SER 82 HB2 SER 82 65.211 -2.720 3.564 612 2HB SER 82 HB3 SER 82 66.667 -2.836 4.573 613 HG SER 82 HG SER 82 67.044 -1.741 2.581 614 H SER 83 H SER 83 67.031 -5.583 5.884 615 HA SER 83 HA SER 83 69.771 -6.128 4.882 616 1HB SER 83 HB2 SER 83 68.625 -6.126 7.697 617 2HB SER 83 HB3 SER 83 70.329 -6.355 7.269 618 HG SER 83 HG SER 83 69.866 -4.176 7.825 619 H ILE 84 H ILE 84 66.984 -7.992 5.033 620 HA ILE 84 HA ILE 84 68.537 -10.510 5.407 621 HB ILE 84 HB ILE 84 67.641 -9.639 7.578 622 1HG1 ILE 84 HG12 ILE 84 66.479 -12.357 6.880 623 2HG1 ILE 84 HG13 ILE 84 68.208 -12.057 7.090 624 1HG2 ILE 84 HG21 ILE 84 65.519 -8.728 6.776 625 2HG2 ILE 84 HG22 ILE 84 64.903 -10.369 6.472 626 3HG2 ILE 84 HG23 ILE 84 65.279 -9.831 8.122 627 1HD1 ILE 84 HD11 ILE 84 67.297 -12.940 9.147 628 2HD1 ILE 84 HD12 ILE 84 67.772 -11.252 9.412 629 3HD1 ILE 84 HD13 ILE 84 66.055 -11.681 9.213 630 H LEU 85 H LEU 85 66.017 -8.964 3.665 631 HA LEU 85 HA LEU 85 64.332 -11.077 3.039 632 1HB LEU 85 HB2 LEU 85 63.387 -9.687 1.442 633 2HB LEU 85 HB3 LEU 85 64.008 -8.606 2.662 634 HG LEU 85 HG LEU 85 65.167 -9.145 -0.109 635 1HD1 LEU 85 HD11 LEU 85 64.006 -6.637 1.164 636 2HD1 LEU 85 HD12 LEU 85 64.616 -6.790 -0.501 637 3HD1 LEU 85 HD13 LEU 85 63.175 -7.690 -0.001 638 1HD2 LEU 85 HD21 LEU 85 66.293 -7.312 2.043 639 2HD2 LEU 85 HD22 LEU 85 67.096 -8.737 1.348 640 3HD2 LEU 85 HD23 LEU 85 66.790 -7.324 0.341 641 H GLU 86 H GLU 86 67.537 -11.153 2.036 642 HA GLU 86 HA GLU 86 67.391 -11.889 -0.704 643 1HB GLU 86 HB2 GLU 86 69.441 -12.638 1.422 644 2HB GLU 86 HB3 GLU 86 69.644 -12.873 -0.320 645 1HG GLU 86 HG2 GLU 86 69.376 -10.414 -0.670 646 2HG GLU 86 HG3 GLU 86 69.281 -10.187 1.078 647 H HIS 87 H HIS 87 67.057 -13.761 -1.807 648 HA HIS 87 HA HIS 87 65.734 -15.991 -0.656 649 1HB HIS 87 HB2 HIS 87 67.277 -15.807 -3.275 650 2HB HIS 87 HB3 HIS 87 66.124 -17.069 -2.844 651 HD1 HIS 87 HD1 HIS 87 66.182 -13.927 -4.715 652 HD2 HIS 87 HD2 HIS 87 63.497 -15.951 -2.178 653 HE1 HIS 87 HE1 HIS 87 63.879 -12.947 -5.187 654 H HIS 88 H HIS 88 66.441 -17.710 0.451 655 HA HIS 88 HA HIS 88 69.284 -18.021 1.041 656 1HB HIS 88 HB2 HIS 88 66.766 -19.441 1.979 657 2HB HIS 88 HB3 HIS 88 68.380 -19.873 2.519 658 HD1 HIS 88 HD1 HIS 88 67.420 -16.108 2.263 659 HD2 HIS 88 HD2 HIS 88 67.964 -19.240 5.037 660 HE1 HIS 88 HE1 HIS 88 67.419 -15.035 4.555 661 H HIS 89 H HIS 89 67.189 -19.510 -1.293 662 HA HIS 89 HA HIS 89 68.544 -22.048 -1.546 663 1HB HIS 89 HB2 HIS 89 66.841 -20.489 -3.534 664 2HB HIS 89 HB3 HIS 89 67.311 -22.179 -3.693 665 HD1 HIS 89 HD1 HIS 89 64.394 -20.334 -2.638 666 HD2 HIS 89 HD2 HIS 89 66.535 -23.675 -1.230 667 HE1 HIS 89 HE1 HIS 89 62.799 -21.618 -1.121 668 H HIS 90 H HIS 90 69.830 -22.773 -3.328 669 HA HIS 90 HA HIS 90 71.444 -20.734 -4.789 670 1HB HIS 90 HB2 HIS 90 73.507 -21.804 -4.071 671 2HB HIS 90 HB3 HIS 90 72.587 -21.260 -2.679 672 HD1 HIS 90 HD1 HIS 90 73.555 -24.545 -4.465 673 HD2 HIS 90 HD2 HIS 90 71.810 -23.106 -0.913 674 HE1 HIS 90 HE1 HIS 90 73.342 -26.556 -2.908 675 H HIS 91 H HIS 91 69.430 -23.167 -5.349 676 HA HIS 91 HA HIS 91 70.657 -23.887 -7.901 677 1HB HIS 91 HB2 HIS 91 71.546 -25.585 -6.257 678 2HB HIS 91 HB3 HIS 91 69.887 -26.061 -5.900 679 HD1 HIS 91 HD1 HIS 91 68.780 -27.749 -7.663 680 HD2 HIS 91 HD2 HIS 91 72.474 -26.085 -8.813 681 HE1 HIS 91 HE1 HIS 91 69.486 -28.975 -9.783 682 H HIS 92 H HIS 92 69.106 -24.839 -9.366 683 HA HIS 92 HA HIS 92 66.226 -24.594 -8.677 684 1HB HIS 92 HB2 HIS 92 67.577 -23.077 -10.946 685 2HB HIS 92 HB3 HIS 92 65.853 -23.102 -10.589 686 HD1 HIS 92 HD1 HIS 92 65.275 -22.008 -7.989 687 HD2 HIS 92 HD2 HIS 92 68.942 -21.138 -9.852 688 HE1 HIS 92 HE1 HIS 92 66.211 -19.954 -6.795 Start of MODEL 7 1 1H MET 1 H1 MET 1 27.151 -33.464 58.514 2 2H MET 1 H2 MET 1 28.150 -32.500 57.641 3 3H MET 1 H3 MET 1 26.829 -31.868 58.369 4 HA MET 1 HA MET 1 26.410 -32.074 56.021 5 1HB MET 1 HB2 MET 1 27.170 -34.974 56.541 6 2HB MET 1 HB3 MET 1 26.133 -34.517 55.189 7 1HG MET 1 HG2 MET 1 28.941 -33.448 55.645 8 2HG MET 1 HG3 MET 1 28.476 -34.716 54.514 9 1HE MET 1 HE1 MET 1 29.662 -33.520 52.518 10 2HE MET 1 HE2 MET 1 29.391 -31.822 52.069 11 3HE MET 1 HE3 MET 1 30.187 -32.216 53.609 12 H SER 2 H SER 2 24.312 -32.053 55.467 13 HA SER 2 HA SER 2 22.300 -33.570 57.092 14 1HB SER 2 HB2 SER 2 20.941 -31.540 57.205 15 2HB SER 2 HB3 SER 2 22.527 -31.263 57.944 16 HG SER 2 HG SER 2 21.972 -29.545 56.554 17 H ASN 3 H ASN 3 23.400 -32.834 53.976 18 HA ASN 3 HA ASN 3 20.988 -33.810 52.643 19 1HB ASN 3 HB2 ASN 3 20.720 -31.809 51.260 20 2HB ASN 3 HB3 ASN 3 20.507 -31.407 52.954 21 1HD2 ASN 3 HD22 ASN 3 22.332 -30.223 54.067 22 2HD2 ASN 3 HD21 ASN 3 23.376 -29.249 53.041 23 HA PRO 4 HA PRO 4 23.909 -35.604 49.842 24 1HB PRO 4 HB2 PRO 4 22.148 -34.524 47.635 25 2HB PRO 4 HB3 PRO 4 22.875 -36.152 47.804 26 1HG PRO 4 HG2 PRO 4 20.279 -35.726 48.466 27 2HG PRO 4 HG3 PRO 4 21.321 -36.748 49.509 28 1HD PRO 4 HD2 PRO 4 20.468 -33.884 49.947 29 2HD PRO 4 HD3 PRO 4 20.649 -35.224 51.113 30 HA PRO 5 HA PRO 5 26.677 -32.234 48.458 31 1HB PRO 5 HB2 PRO 5 27.826 -34.510 46.844 32 2HB PRO 5 HB3 PRO 5 28.684 -33.268 47.807 33 1HG PRO 5 HG2 PRO 5 28.360 -35.769 48.792 34 2HG PRO 5 HG3 PRO 5 28.099 -34.348 49.857 35 1HD PRO 5 HD2 PRO 5 26.025 -36.034 48.435 36 2HD PRO 5 HD3 PRO 5 26.035 -35.418 50.118 37 H THR 6 H THR 6 27.302 -31.192 46.433 38 HA THR 6 HA THR 6 25.792 -31.905 43.961 39 HB THR 6 HB THR 6 25.127 -29.617 43.598 40 HG1 THR 6 HG1 THR 6 25.759 -29.173 46.330 41 1HG2 THR 6 HG21 THR 6 23.977 -30.656 46.214 42 2HG2 THR 6 HG22 THR 6 23.228 -29.498 45.095 43 3HG2 THR 6 HG23 THR 6 23.496 -31.174 44.585 44 HA PRO 7 HA PRO 7 29.327 -31.114 41.632 45 1HB PRO 7 HB2 PRO 7 27.673 -29.273 39.902 46 2HB PRO 7 HB3 PRO 7 28.732 -30.640 39.425 47 1HG PRO 7 HG2 PRO 7 26.038 -30.957 39.502 48 2HG PRO 7 HG3 PRO 7 27.130 -32.245 40.111 49 1HD PRO 7 HD2 PRO 7 25.600 -30.167 41.683 50 2HD PRO 7 HD3 PRO 7 25.789 -31.884 42.000 51 H LEU 8 H LEU 8 31.013 -29.699 41.179 52 HA LEU 8 HA LEU 8 30.892 -26.985 42.448 53 1HB LEU 8 HB2 LEU 8 33.142 -29.031 42.406 54 2HB LEU 8 HB3 LEU 8 33.218 -27.446 43.167 55 HG LEU 8 HG LEU 8 31.371 -29.711 44.030 56 1HD1 LEU 8 HD11 LEU 8 33.878 -28.560 45.320 57 2HD1 LEU 8 HD12 LEU 8 32.837 -29.836 45.993 58 3HD1 LEU 8 HD13 LEU 8 33.750 -30.136 44.506 59 1HD2 LEU 8 HD21 LEU 8 30.972 -28.298 46.036 60 2HD2 LEU 8 HD22 LEU 8 31.892 -26.974 45.284 61 3HD2 LEU 8 HD23 LEU 8 30.360 -27.532 44.571 62 H LEU 9 H LEU 9 30.804 -28.002 39.498 63 HA LEU 9 HA LEU 9 32.800 -26.079 38.398 64 1HB LEU 9 HB2 LEU 9 33.478 -27.561 36.757 65 2HB LEU 9 HB3 LEU 9 33.464 -28.499 38.235 66 HG LEU 9 HG LEU 9 31.435 -28.632 35.952 67 1HD1 LEU 9 HD11 LEU 9 33.465 -30.649 36.991 68 2HD1 LEU 9 HD12 LEU 9 32.346 -30.880 35.629 69 3HD1 LEU 9 HD13 LEU 9 33.632 -29.670 35.517 70 1HD2 LEU 9 HD21 LEU 9 30.183 -29.121 37.973 71 2HD2 LEU 9 HD22 LEU 9 30.512 -30.630 37.131 72 3HD2 LEU 9 HD23 LEU 9 31.479 -30.206 38.560 73 H ALA 10 H ALA 10 29.720 -26.108 38.865 74 HA ALA 10 HA ALA 10 29.011 -24.874 36.232 75 1HB ALA 10 HB1 ALA 10 26.774 -25.863 36.450 76 2HB ALA 10 HB2 ALA 10 28.019 -27.127 36.427 77 3HB ALA 10 HB3 ALA 10 27.251 -26.662 37.963 78 H ASP 11 H ASP 11 28.876 -24.609 39.741 79 HA ASP 11 HA ASP 11 27.072 -22.336 39.843 80 1HB ASP 11 HB2 ASP 11 27.551 -23.897 41.732 81 2HB ASP 11 HB3 ASP 11 29.208 -23.298 41.788 82 H TYR 12 H TYR 12 30.393 -22.710 38.936 83 HA TYR 12 HA TYR 12 30.764 -19.809 38.548 84 1HB TYR 12 HB2 TYR 12 31.624 -20.242 40.818 85 2HB TYR 12 HB3 TYR 12 32.614 -21.563 40.216 86 HD1 TYR 12 HD1 TYR 12 32.056 -17.863 39.826 87 HD2 TYR 12 HD2 TYR 12 34.846 -21.144 39.542 88 HE1 TYR 12 HE1 TYR 12 33.919 -16.252 39.403 89 HE2 TYR 12 HE2 TYR 12 36.699 -19.538 39.133 90 HH TYR 12 HH TYR 12 37.302 -17.340 38.915 91 H GLU 13 H GLU 13 32.354 -19.315 37.014 92 HA GLU 13 HA GLU 13 33.947 -21.305 35.659 93 1HB GLU 13 HB2 GLU 13 32.947 -21.058 33.418 94 2HB GLU 13 HB3 GLU 13 31.935 -21.887 34.564 95 1HG GLU 13 HG2 GLU 13 30.502 -20.548 33.281 96 2HG GLU 13 HG3 GLU 13 30.559 -19.819 34.874 97 H TRP 14 H TRP 14 34.538 -19.927 33.337 98 HA TRP 14 HA TRP 14 36.606 -18.281 34.296 99 1HB TRP 14 HB2 TRP 14 35.657 -18.568 31.433 100 2HB TRP 14 HB3 TRP 14 37.288 -18.214 31.989 101 HD1 TRP 14 HD1 TRP 14 38.618 -20.269 33.213 102 HE1 TRP 14 HE1 TRP 14 38.513 -22.804 32.808 103 HE3 TRP 14 HE3 TRP 14 34.118 -20.514 30.767 104 HZ2 TRP 14 HZ2 TRP 14 36.705 -24.696 31.587 105 HZ3 TRP 14 HZ3 TRP 14 33.225 -22.704 29.999 106 HH2 TRP 14 HH2 TRP 14 34.507 -24.795 30.401 107 H SER 15 H SER 15 34.034 -16.880 34.901 108 HA SER 15 HA SER 15 33.358 -14.804 33.174 109 1HB SER 15 HB2 SER 15 32.393 -13.683 35.119 110 2HB SER 15 HB3 SER 15 32.041 -15.415 35.131 111 HG SER 15 HG SER 15 32.717 -14.652 37.190 112 H GLY 16 H GLY 16 36.052 -14.797 35.465 113 1HA GLY 16 HA2 GLY 16 36.768 -12.020 35.251 114 2HA GLY 16 HA3 GLY 16 37.839 -13.341 35.739 115 H TYR 17 H TYR 17 38.123 -14.909 33.534 116 HA TYR 17 HA TYR 17 39.783 -13.350 31.763 117 1HB TYR 17 HB2 TYR 17 40.249 -15.708 32.287 118 2HB TYR 17 HB3 TYR 17 38.752 -16.196 31.490 119 HD1 TYR 17 HD1 TYR 17 41.990 -14.376 30.872 120 HD2 TYR 17 HD2 TYR 17 38.755 -16.661 29.151 121 HE1 TYR 17 HE1 TYR 17 43.148 -14.362 28.663 122 HE2 TYR 17 HE2 TYR 17 39.921 -16.652 26.951 123 HH TYR 17 HH TYR 17 41.763 -15.965 25.773 124 H LEU 18 H LEU 18 36.463 -14.560 31.486 125 HA LEU 18 HA LEU 18 35.969 -13.907 28.782 126 1HB LEU 18 HB2 LEU 18 34.536 -15.276 30.288 127 2HB LEU 18 HB3 LEU 18 34.080 -13.814 31.162 128 HG LEU 18 HG LEU 18 32.934 -12.938 29.163 129 1HD1 LEU 18 HD11 LEU 18 32.558 -14.441 27.205 130 2HD1 LEU 18 HD12 LEU 18 34.245 -13.946 27.346 131 3HD1 LEU 18 HD13 LEU 18 33.755 -15.578 27.863 132 1HD2 LEU 18 HD21 LEU 18 32.151 -15.803 29.837 133 2HD2 LEU 18 HD22 LEU 18 31.713 -14.354 30.770 134 3HD2 LEU 18 HD23 LEU 18 31.095 -14.563 29.123 135 H THR 19 H THR 19 36.348 -11.750 31.504 136 HA THR 19 HA THR 19 35.554 -9.373 29.869 137 HB THR 19 HB THR 19 36.512 -9.473 32.755 138 HG1 THR 19 HG1 THR 19 34.545 -10.508 32.585 139 1HG2 THR 19 HG21 THR 19 35.448 -7.227 32.874 140 2HG2 THR 19 HG22 THR 19 36.794 -7.247 31.726 141 3HG2 THR 19 HG23 THR 19 35.122 -7.295 31.127 142 H GLY 20 H GLY 20 38.353 -10.765 31.569 143 1HA GLY 20 HA2 GLY 20 40.350 -8.890 31.073 144 2HA GLY 20 HA3 GLY 20 40.602 -10.633 31.246 145 H ILE 21 H ILE 21 39.242 -11.443 28.857 146 HA ILE 21 HA ILE 21 41.211 -11.295 26.887 147 HB ILE 21 HB ILE 21 39.363 -12.952 27.096 148 1HG1 ILE 21 HG12 ILE 21 39.766 -11.796 24.313 149 2HG1 ILE 21 HG13 ILE 21 40.895 -12.846 25.171 150 1HG2 ILE 21 HG21 ILE 21 37.192 -12.566 26.120 151 2HG2 ILE 21 HG22 ILE 21 37.487 -11.269 27.273 152 3HG2 ILE 21 HG23 ILE 21 37.663 -10.959 25.531 153 1HD1 ILE 21 HD11 ILE 21 38.098 -13.591 24.228 154 2HD1 ILE 21 HD12 ILE 21 39.647 -14.181 23.604 155 3HD1 ILE 21 HD13 ILE 21 39.131 -14.630 25.243 156 H GLY 22 H GLY 22 38.762 -8.877 27.558 157 1HA GLY 22 HA2 GLY 22 38.751 -7.292 25.221 158 2HA GLY 22 HA3 GLY 22 38.615 -6.710 26.884 159 H ARG 23 H ARG 23 41.165 -7.432 27.848 160 HA ARG 23 HA ARG 23 42.949 -5.404 26.618 161 1HB ARG 23 HB2 ARG 23 42.614 -5.644 29.083 162 2HB ARG 23 HB3 ARG 23 43.354 -7.240 29.039 163 1HG ARG 23 HG2 ARG 23 44.867 -4.858 27.936 164 2HG ARG 23 HG3 ARG 23 44.712 -5.035 29.679 165 1HD ARG 23 HD2 ARG 23 45.846 -7.135 29.715 166 2HD ARG 23 HD3 ARG 23 45.830 -7.292 27.967 167 HE ARG 23 HE ARG 23 47.664 -5.691 29.583 168 1HH1 ARG 23 HH21 ARG 23 46.412 -6.065 26.305 169 2HH1 ARG 23 HH22 ARG 23 47.712 -5.089 25.638 170 1HH2 ARG 23 HH11 ARG 23 49.319 -4.540 28.582 171 2HH2 ARG 23 HH12 ARG 23 49.296 -4.354 26.846 172 H ALA 24 H ALA 24 42.646 -8.919 26.628 173 HA ALA 24 HA ALA 24 45.274 -9.436 25.558 174 1HB ALA 24 HB1 ALA 24 44.452 -11.663 25.117 175 2HB ALA 24 HB2 ALA 24 43.798 -11.151 26.686 176 3HB ALA 24 HB3 ALA 24 42.769 -11.131 25.230 177 H PHE 25 H PHE 25 42.358 -8.304 23.930 178 HA PHE 25 HA PHE 25 43.230 -9.042 21.355 179 1HB PHE 25 HB2 PHE 25 41.636 -6.556 22.110 180 2HB PHE 25 HB3 PHE 25 41.699 -7.279 20.511 181 HD1 PHE 25 HD1 PHE 25 41.294 -10.189 21.063 182 HD2 PHE 25 HD2 PHE 25 39.383 -6.706 22.747 183 HE1 PHE 25 HE1 PHE 25 39.271 -11.533 21.557 184 HE2 PHE 25 HE2 PHE 25 37.355 -8.055 23.226 185 HZ PHE 25 HZ PHE 25 37.301 -10.474 22.642 186 H ASP 26 H ASP 26 44.396 -6.416 23.343 187 HA ASP 26 HA ASP 26 45.841 -5.007 21.238 188 1HB ASP 26 HB2 ASP 26 45.203 -3.785 23.183 189 2HB ASP 26 HB3 ASP 26 45.845 -4.999 24.267 190 H ASP 27 H ASP 27 46.481 -7.962 22.964 191 HA ASP 27 HA ASP 27 49.352 -7.957 22.090 192 1HB ASP 27 HB2 ASP 27 48.819 -8.575 24.441 193 2HB ASP 27 HB3 ASP 27 47.810 -9.895 23.855 194 H GLY 28 H GLY 28 46.297 -9.666 21.712 195 1HA GLY 28 HA2 GLY 28 46.920 -11.753 19.932 196 2HA GLY 28 HA3 GLY 28 45.343 -11.040 20.216 197 H VAL 29 H VAL 29 48.130 -9.462 18.865 198 HA VAL 29 HA VAL 29 47.042 -9.144 16.123 199 HB VAL 29 HB VAL 29 46.006 -7.353 17.356 200 1HG1 VAL 29 HG11 VAL 29 47.125 -5.683 18.619 201 2HG1 VAL 29 HG12 VAL 29 47.651 -7.242 19.268 202 3HG1 VAL 29 HG13 VAL 29 48.728 -6.305 18.205 203 1HG2 VAL 29 HG21 VAL 29 48.364 -6.249 15.782 204 2HG2 VAL 29 HG22 VAL 29 46.891 -6.932 15.068 205 3HG2 VAL 29 HG23 VAL 29 46.794 -5.463 16.067 206 H LYS 30 H LYS 30 49.626 -8.265 18.412 207 HA LYS 30 HA LYS 30 51.809 -8.356 16.429 208 1HB LYS 30 HB2 LYS 30 51.804 -8.472 19.499 209 2HB LYS 30 HB3 LYS 30 53.232 -8.274 18.485 210 1HG LYS 30 HG2 LYS 30 52.961 -6.049 18.461 211 2HG LYS 30 HG3 LYS 30 51.372 -6.209 17.714 212 1HD LYS 30 HD2 LYS 30 50.395 -6.575 20.025 213 2HD LYS 30 HD3 LYS 30 51.998 -6.235 20.702 214 1HE LYS 30 HE2 LYS 30 51.962 -3.984 19.633 215 2HE LYS 30 HE3 LYS 30 50.374 -4.340 18.940 216 1HZ LYS 30 HZ1 LYS 30 49.528 -4.589 21.232 217 2HZ LYS 30 HZ2 LYS 30 50.976 -4.143 21.842 218 3HZ LYS 30 HZ3 LYS 30 50.092 -3.080 20.971 219 H ASP 31 H ASP 31 50.464 -10.390 18.954 220 HA ASP 31 HA ASP 31 51.810 -12.841 18.621 221 1HB ASP 31 HB2 ASP 31 50.327 -12.194 20.469 222 2HB ASP 31 HB3 ASP 31 48.974 -12.038 19.345 223 H LEU 32 H LEU 32 49.096 -11.479 16.781 224 HA LEU 32 HA LEU 32 48.153 -13.807 15.477 225 1HB LEU 32 HB2 LEU 32 47.276 -11.330 15.688 226 2HB LEU 32 HB3 LEU 32 48.231 -11.033 14.251 227 HG LEU 32 HG LEU 32 45.682 -12.585 14.621 228 1HD1 LEU 32 HD11 LEU 32 45.736 -10.178 14.000 229 2HD1 LEU 32 HD12 LEU 32 46.683 -10.560 12.549 230 3HD1 LEU 32 HD13 LEU 32 45.017 -11.174 12.730 231 1HD2 LEU 32 HD21 LEU 32 47.515 -12.974 12.227 232 2HD2 LEU 32 HD22 LEU 32 46.982 -14.222 13.376 233 3HD2 LEU 32 HD23 LEU 32 45.804 -13.457 12.317 234 H ASN 33 H ASN 33 50.611 -11.440 14.506 235 HA ASN 33 HA ASN 33 51.309 -12.644 11.990 236 1HB ASN 33 HB2 ASN 33 51.894 -10.323 12.557 237 2HB ASN 33 HB3 ASN 33 52.913 -10.869 13.889 238 1HD2 ASN 33 HD22 ASN 33 52.551 -11.421 10.312 239 2HD2 ASN 33 HD21 ASN 33 54.284 -11.422 10.040 240 H LYS 34 H LYS 34 52.416 -13.305 15.296 241 HA LYS 34 HA LYS 34 54.401 -15.253 14.448 242 1HB LYS 34 HB2 LYS 34 54.371 -13.937 16.687 243 2HB LYS 34 HB3 LYS 34 53.112 -15.048 17.195 244 1HG LYS 34 HG2 LYS 34 54.973 -16.008 18.121 245 2HG LYS 34 HG3 LYS 34 54.837 -16.946 16.645 246 1HD LYS 34 HD2 LYS 34 56.736 -14.607 17.159 247 2HD LYS 34 HD3 LYS 34 57.163 -16.321 17.173 248 1HE LYS 34 HE2 LYS 34 56.507 -16.469 14.751 249 2HE LYS 34 HE3 LYS 34 56.210 -14.721 14.765 250 1HZ LYS 34 HZ1 LYS 34 58.557 -14.407 15.371 251 2HZ LYS 34 HZ2 LYS 34 58.832 -16.016 15.211 252 3HZ LYS 34 HZ3 LYS 34 58.358 -15.117 13.915 253 H GLN 35 H GLN 35 50.997 -15.524 15.420 254 HA GLN 35 HA GLN 35 50.810 -18.387 15.229 255 1HB GLN 35 HB2 GLN 35 48.707 -16.296 14.511 256 2HB GLN 35 HB3 GLN 35 48.439 -18.026 14.614 257 1HG GLN 35 HG2 GLN 35 49.023 -17.978 17.032 258 2HG GLN 35 HG3 GLN 35 49.254 -16.235 16.934 259 1HE2 GLN 35 HE22 GLN 35 47.490 -15.493 18.225 260 2HE2 GLN 35 HE21 GLN 35 45.822 -15.895 17.818 261 H LEU 36 H LEU 36 50.598 -15.854 12.735 262 HA LEU 36 HA LEU 36 50.037 -17.692 10.578 263 1HB LEU 36 HB2 LEU 36 49.426 -15.286 10.646 264 2HB LEU 36 HB3 LEU 36 51.130 -14.904 10.377 265 HG LEU 36 HG LEU 36 51.098 -16.181 8.246 266 1HD1 LEU 36 HD11 LEU 36 48.132 -16.610 8.769 267 2HD1 LEU 36 HD12 LEU 36 48.918 -16.799 7.209 268 3HD1 LEU 36 HD13 LEU 36 49.347 -17.886 8.549 269 1HD2 LEU 36 HD21 LEU 36 49.718 -14.566 7.061 270 2HD2 LEU 36 HD22 LEU 36 48.740 -14.323 8.521 271 3HD2 LEU 36 HD23 LEU 36 50.427 -13.755 8.462 272 H GLN 37 H GLN 37 53.115 -16.206 11.696 273 HA GLN 37 HA GLN 37 54.696 -17.555 9.677 274 1HB GLN 37 HB2 GLN 37 55.396 -16.392 12.410 275 2HB GLN 37 HB3 GLN 37 56.596 -17.134 11.340 276 1HG GLN 37 HG2 GLN 37 56.051 -15.513 9.558 277 2HG GLN 37 HG3 GLN 37 54.871 -14.727 10.601 278 1HE2 GLN 37 HE22 GLN 37 56.825 -13.120 9.582 279 2HE2 GLN 37 HE21 GLN 37 57.982 -12.723 10.846 280 H ASP 38 H ASP 38 53.568 -18.590 12.902 281 HA ASP 38 HA ASP 38 54.948 -21.120 12.856 282 1HB ASP 38 HB2 ASP 38 53.957 -20.121 14.897 283 2HB ASP 38 HB3 ASP 38 52.344 -20.402 14.240 284 H ALA 39 H ALA 39 51.734 -20.126 11.600 285 HA ALA 39 HA ALA 39 51.021 -22.664 10.545 286 1HB ALA 39 HB1 ALA 39 49.363 -21.605 9.302 287 2HB ALA 39 HB2 ALA 39 49.606 -20.384 10.613 288 3HB ALA 39 HB3 ALA 39 50.311 -20.130 9.027 289 H GLN 40 H GLN 40 52.868 -19.998 9.125 290 HA GLN 40 HA GLN 40 53.364 -21.237 6.598 291 1HB GLN 40 HB2 GLN 40 53.553 -18.719 7.390 292 2HB GLN 40 HB3 GLN 40 55.155 -19.164 7.952 293 1HG GLN 40 HG2 GLN 40 55.836 -19.795 5.671 294 2HG GLN 40 HG3 GLN 40 54.191 -19.564 5.083 295 1HE2 GLN 40 HE22 GLN 40 54.105 -17.674 3.845 296 2HE2 GLN 40 HE21 GLN 40 54.958 -16.200 4.281 297 H ALA 41 H ALA 41 55.046 -21.571 9.697 298 HA ALA 41 HA ALA 41 57.204 -23.178 8.483 299 1HB ALA 41 HB1 ALA 41 56.478 -22.783 11.402 300 2HB ALA 41 HB2 ALA 41 57.958 -23.534 10.735 301 3HB ALA 41 HB3 ALA 41 57.649 -21.812 10.462 302 H ASN 42 H ASN 42 54.110 -23.987 10.138 303 HA ASN 42 HA ASN 42 54.634 -26.827 9.874 304 1HB ASN 42 HB2 ASN 42 51.912 -25.439 10.064 305 2HB ASN 42 HB3 ASN 42 52.257 -27.134 10.216 306 1HD2 ASN 42 HD22 ASN 42 51.190 -25.130 12.239 307 2HD2 ASN 42 HD21 ASN 42 52.274 -25.297 13.603 308 H LEU 43 H LEU 43 53.345 -24.321 7.735 309 HA LEU 43 HA LEU 43 53.035 -26.072 5.513 310 1HB LEU 43 HB2 LEU 43 52.130 -23.565 6.033 311 2HB LEU 43 HB3 LEU 43 53.616 -23.115 5.219 312 HG LEU 43 HG LEU 43 52.991 -24.536 3.312 313 1HD1 LEU 43 HD11 LEU 43 50.535 -24.735 5.089 314 2HD1 LEU 43 HD12 LEU 43 50.423 -25.015 3.310 315 3HD1 LEU 43 HD13 LEU 43 51.410 -26.081 4.276 316 1HD2 LEU 43 HD21 LEU 43 50.899 -22.455 3.990 317 2HD2 LEU 43 HD22 LEU 43 52.494 -22.126 3.243 318 3HD2 LEU 43 HD23 LEU 43 51.294 -23.114 2.376 319 H THR 44 H THR 44 55.842 -24.186 6.682 320 HA THR 44 HA THR 44 57.422 -24.638 4.380 321 HB THR 44 HB THR 44 58.293 -24.314 7.261 322 HG1 THR 44 HG1 THR 44 57.311 -22.530 6.126 323 1HG2 THR 44 HG21 THR 44 60.060 -25.472 6.269 324 2HG2 THR 44 HG22 THR 44 59.903 -24.573 4.733 325 3HG2 THR 44 HG23 THR 44 60.516 -23.753 6.217 326 H LYS 45 H LYS 45 56.904 -26.637 7.236 327 HA LYS 45 HA LYS 45 58.680 -28.816 6.599 328 1HB LYS 45 HB2 LYS 45 56.069 -28.654 8.121 329 2HB LYS 45 HB3 LYS 45 57.103 -30.085 8.128 330 1HG LYS 45 HG2 LYS 45 58.848 -28.952 9.329 331 2HG LYS 45 HG3 LYS 45 58.104 -27.378 9.071 332 1HD LYS 45 HD2 LYS 45 56.043 -28.398 10.364 333 2HD LYS 45 HD3 LYS 45 57.207 -29.600 10.929 334 1HE LYS 45 HE2 LYS 45 58.600 -27.844 11.910 335 2HE LYS 45 HE3 LYS 45 57.618 -26.583 11.155 336 1HZ LYS 45 HZ1 LYS 45 55.748 -27.225 12.556 337 2HZ LYS 45 HZ2 LYS 45 56.596 -28.464 13.215 338 3HZ LYS 45 HZ3 LYS 45 57.038 -26.922 13.506 339 H ASN 46 H ASN 46 55.380 -28.175 5.478 340 HA ASN 46 HA ASN 46 55.888 -29.857 3.190 341 1HB ASN 46 HB2 ASN 46 54.982 -31.389 4.896 342 2HB ASN 46 HB3 ASN 46 53.571 -30.354 4.994 343 1HD2 ASN 46 HD22 ASN 46 53.621 -33.203 4.258 344 2HD2 ASN 46 HD21 ASN 46 53.170 -33.335 2.564 345 HA PRO 47 HA PRO 47 54.379 -25.714 2.176 346 1HB PRO 47 HB2 PRO 47 55.202 -26.810 -0.482 347 2HB PRO 47 HB3 PRO 47 55.303 -25.119 0.159 348 1HG PRO 47 HG2 PRO 47 57.472 -26.766 0.279 349 2HG PRO 47 HG3 PRO 47 57.042 -25.712 1.666 350 1HD PRO 47 HD2 PRO 47 56.695 -28.666 1.404 351 2HD PRO 47 HD3 PRO 47 56.923 -27.667 2.836 352 H SER 48 H SER 48 52.963 -28.644 0.804 353 HA SER 48 HA SER 48 50.479 -27.134 0.791 354 1HB SER 48 HB2 SER 48 51.008 -26.835 -1.392 355 2HB SER 48 HB3 SER 48 51.478 -28.544 -1.570 356 HG SER 48 HG SER 48 49.179 -28.999 -1.185 357 H ASP 49 H ASP 49 51.483 -28.786 2.741 358 HA ASP 49 HA ASP 49 49.867 -31.231 2.837 359 1HB ASP 49 HB2 ASP 49 51.590 -31.216 4.337 360 2HB ASP 49 HB3 ASP 49 51.421 -29.584 4.859 361 HA PRO 50 HA PRO 50 46.335 -28.707 2.569 362 1HB PRO 50 HB2 PRO 50 44.334 -30.469 3.102 363 2HB PRO 50 HB3 PRO 50 45.301 -30.389 1.571 364 1HG PRO 50 HG2 PRO 50 45.618 -32.249 3.968 365 2HG PRO 50 HG3 PRO 50 45.682 -32.684 2.228 366 1HD PRO 50 HD2 PRO 50 47.931 -32.217 3.783 367 2HD PRO 50 HD3 PRO 50 47.876 -31.854 2.026 368 H THR 51 H THR 51 46.874 -30.343 5.658 369 HA THR 51 HA THR 51 44.865 -28.642 7.097 370 HB THR 51 HB THR 51 46.870 -30.717 7.869 371 HG1 THR 51 HG1 THR 51 44.813 -31.376 7.178 372 1HG2 THR 51 HG21 THR 51 47.108 -29.117 9.650 373 2HG2 THR 51 HG22 THR 51 45.338 -28.889 9.721 374 3HG2 THR 51 HG23 THR 51 46.071 -30.435 10.234 375 H ALA 52 H ALA 52 48.436 -28.862 6.630 376 HA ALA 52 HA ALA 52 49.066 -26.463 8.130 377 1HB ALA 52 HB1 ALA 52 50.330 -27.715 5.612 378 2HB ALA 52 HB2 ALA 52 51.116 -26.565 6.707 379 3HB ALA 52 HB3 ALA 52 50.725 -28.217 7.253 380 H LEU 53 H LEU 53 48.080 -26.907 4.780 381 HA LEU 53 HA LEU 53 48.237 -24.094 4.256 382 1HB LEU 53 HB2 LEU 53 48.610 -26.092 2.775 383 2HB LEU 53 HB3 LEU 53 46.874 -26.294 2.635 384 HG LEU 53 HG LEU 53 46.713 -24.565 1.105 385 1HD1 LEU 53 HD11 LEU 53 48.337 -22.671 0.931 386 2HD1 LEU 53 HD12 LEU 53 47.409 -22.683 2.456 387 3HD1 LEU 53 HD13 LEU 53 49.099 -23.258 2.423 388 1HD2 LEU 53 HD21 LEU 53 48.446 -26.250 0.406 389 2HD2 LEU 53 HD22 LEU 53 48.672 -24.657 -0.360 390 3HD2 LEU 53 HD23 LEU 53 49.716 -25.111 1.012 391 H ALA 54 H ALA 54 45.513 -26.299 5.062 392 HA ALA 54 HA ALA 54 43.439 -24.359 4.978 393 1HB ALA 54 HB1 ALA 54 42.959 -26.759 5.237 394 2HB ALA 54 HB2 ALA 54 43.883 -26.830 6.752 395 3HB ALA 54 HB3 ALA 54 42.357 -25.922 6.676 396 H ASN 55 H ASN 55 45.757 -25.226 7.526 397 HA ASN 55 HA ASN 55 44.782 -23.535 9.564 398 1HB ASN 55 HB2 ASN 55 46.276 -25.415 10.011 399 2HB ASN 55 HB3 ASN 55 47.505 -24.763 8.951 400 1HD2 ASN 55 HD22 ASN 55 49.158 -23.914 9.903 401 2HD2 ASN 55 HD21 ASN 55 49.117 -23.186 11.525 402 H TYR 56 H TYR 56 47.583 -23.115 7.388 403 HA TYR 56 HA TYR 56 48.062 -20.339 7.868 404 1HB TYR 56 HB2 TYR 56 49.613 -21.747 6.698 405 2HB TYR 56 HB3 TYR 56 48.454 -22.118 5.434 406 HD1 TYR 56 HD1 TYR 56 48.347 -20.741 3.474 407 HD2 TYR 56 HD2 TYR 56 50.782 -19.588 6.846 408 HE1 TYR 56 HE1 TYR 56 49.762 -19.350 1.977 409 HE2 TYR 56 HE2 TYR 56 52.160 -18.161 5.357 410 HH TYR 56 HH TYR 56 51.637 -18.021 1.818 411 H GLN 57 H GLN 57 45.734 -21.703 5.497 412 HA GLN 57 HA GLN 57 44.928 -19.100 4.586 413 1HB GLN 57 HB2 GLN 57 43.581 -21.818 4.539 414 2HB GLN 57 HB3 GLN 57 42.763 -20.386 3.926 415 1HG GLN 57 HG2 GLN 57 45.512 -21.210 2.913 416 2HG GLN 57 HG3 GLN 57 44.010 -21.803 2.207 417 1HE2 GLN 57 HE22 GLN 57 42.613 -20.281 1.049 418 2HE2 GLN 57 HE21 GLN 57 43.259 -18.727 0.543 419 H MET 58 H MET 58 43.663 -21.125 7.257 420 HA MET 58 HA MET 58 41.481 -19.394 7.953 421 1HB MET 58 HB2 MET 58 41.515 -21.710 8.529 422 2HB MET 58 HB3 MET 58 43.005 -21.551 9.459 423 1HG MET 58 HG2 MET 58 40.472 -20.078 10.195 424 2HG MET 58 HG3 MET 58 40.733 -21.741 10.690 425 1HE MET 58 HE1 MET 58 43.706 -22.052 11.582 426 2HE MET 58 HE2 MET 58 43.583 -21.600 13.294 427 3HE MET 58 HE3 MET 58 42.306 -22.579 12.542 428 H ILE 59 H ILE 59 44.826 -19.615 9.264 429 HA ILE 59 HA ILE 59 44.455 -17.454 11.143 430 HB ILE 59 HB ILE 59 46.874 -18.854 9.940 431 1HG1 ILE 59 HG12 ILE 59 45.652 -19.107 12.745 432 2HG1 ILE 59 HG13 ILE 59 45.311 -20.231 11.436 433 1HG2 ILE 59 HG21 ILE 59 47.415 -16.543 10.823 434 2HG2 ILE 59 HG22 ILE 59 46.852 -17.087 12.409 435 3HG2 ILE 59 HG23 ILE 59 48.233 -17.887 11.602 436 1HD1 ILE 59 HD11 ILE 59 47.037 -21.126 12.897 437 2HD1 ILE 59 HD12 ILE 59 47.637 -20.843 11.241 438 3HD1 ILE 59 HD13 ILE 59 48.094 -19.751 12.563 439 H MET 60 H MET 60 45.628 -17.676 7.755 440 HA MET 60 HA MET 60 46.357 -14.949 7.601 441 1HB MET 60 HB2 MET 60 47.006 -16.804 6.032 442 2HB MET 60 HB3 MET 60 45.442 -16.579 5.230 443 1HG MET 60 HG2 MET 60 46.106 -14.198 4.834 444 2HG MET 60 HG3 MET 60 47.581 -14.489 5.795 445 1HE MET 60 HE1 MET 60 49.537 -15.514 5.226 446 2HE MET 60 HE2 MET 60 48.919 -17.152 4.878 447 3HE MET 60 HE3 MET 60 49.992 -16.323 3.719 448 H SER 61 H SER 61 43.246 -16.549 7.078 449 HA SER 61 HA SER 61 41.746 -14.304 6.121 450 1HB SER 61 HB2 SER 61 40.878 -16.732 7.752 451 2HB SER 61 HB3 SER 61 39.773 -15.538 7.049 452 HG SER 61 HG SER 61 41.611 -17.237 5.693 453 H GLU 62 H GLU 62 42.602 -15.303 9.448 454 HA GLU 62 HA GLU 62 41.235 -13.048 10.712 455 1HB GLU 62 HB2 GLU 62 41.803 -15.250 11.836 456 2HB GLU 62 HB3 GLU 62 43.504 -14.818 11.740 457 1HG GLU 62 HG2 GLU 62 42.825 -14.307 13.939 458 2HG GLU 62 HG3 GLU 62 42.984 -12.755 13.134 459 H TYR 63 H TYR 63 44.599 -13.723 9.758 460 HA TYR 63 HA TYR 63 45.825 -11.383 10.698 461 1HB TYR 63 HB2 TYR 63 47.059 -13.332 9.932 462 2HB TYR 63 HB3 TYR 63 46.477 -13.089 8.293 463 HD1 TYR 63 HD1 TYR 63 47.670 -11.938 6.730 464 HD2 TYR 63 HD2 TYR 63 48.527 -11.332 10.919 465 HE1 TYR 63 HE1 TYR 63 49.710 -10.700 6.123 466 HE2 TYR 63 HE2 TYR 63 50.558 -10.036 10.312 467 HH TYR 63 HH TYR 63 51.924 -9.322 8.622 468 H ASN 64 H ASN 64 44.272 -11.878 7.542 469 HA ASN 64 HA ASN 64 45.208 -9.514 6.379 470 1HB ASN 64 HB2 ASN 64 44.227 -11.457 5.176 471 2HB ASN 64 HB3 ASN 64 42.624 -11.025 5.776 472 1HD2 ASN 64 HD22 ASN 64 41.432 -9.921 4.235 473 2HD2 ASN 64 HD21 ASN 64 42.139 -8.864 3.022 474 H LEU 65 H LEU 65 42.557 -9.884 8.654 475 HA LEU 65 HA LEU 65 41.166 -7.399 8.155 476 1HB LEU 65 HB2 LEU 65 40.317 -9.479 9.295 477 2HB LEU 65 HB3 LEU 65 41.291 -9.090 10.698 478 HG LEU 65 HG LEU 65 39.094 -7.295 9.566 479 1HD1 LEU 65 HD11 LEU 65 37.705 -8.143 11.411 480 2HD1 LEU 65 HD12 LEU 65 38.202 -9.462 10.343 481 3HD1 LEU 65 HD13 LEU 65 39.014 -9.243 11.909 482 1HD2 LEU 65 HD21 LEU 65 39.109 -6.313 11.888 483 2HD2 LEU 65 HD22 LEU 65 40.594 -7.229 12.225 484 3HD2 LEU 65 HD23 LEU 65 40.566 -5.961 10.974 485 H TYR 66 H TYR 66 43.426 -8.387 10.731 486 HA TYR 66 HA TYR 66 44.026 -5.682 11.690 487 1HB TYR 66 HB2 TYR 66 45.388 -8.388 12.066 488 2HB TYR 66 HB3 TYR 66 45.875 -6.913 12.889 489 HD1 TYR 66 HD1 TYR 66 43.254 -9.533 12.693 490 HD2 TYR 66 HD2 TYR 66 44.518 -5.903 14.656 491 HE1 TYR 66 HE1 TYR 66 41.615 -9.948 14.503 492 HE2 TYR 66 HE2 TYR 66 42.876 -6.332 16.487 493 HH TYR 66 HH TYR 66 40.733 -9.206 16.486 494 H ARG 67 H ARG 67 45.362 -7.596 9.044 495 HA ARG 67 HA ARG 67 47.832 -6.326 8.793 496 1HB ARG 67 HB2 ARG 67 47.099 -8.276 7.439 497 2HB ARG 67 HB3 ARG 67 46.000 -7.224 6.536 498 1HG ARG 67 HG2 ARG 67 47.976 -7.617 5.212 499 2HG ARG 67 HG3 ARG 67 47.942 -5.928 5.697 500 1HD ARG 67 HD2 ARG 67 49.499 -6.768 7.699 501 2HD ARG 67 HD3 ARG 67 49.698 -8.178 6.677 502 HE ARG 67 HE ARG 67 50.231 -5.377 5.702 503 1HH1 ARG 67 HH21 ARG 67 51.631 -8.564 6.212 504 2HH1 ARG 67 HH22 ARG 67 52.919 -8.251 5.080 505 1HH2 ARG 67 HH11 ARG 67 51.873 -5.062 4.324 506 2HH2 ARG 67 HH12 ARG 67 53.072 -6.299 4.065 507 H ASN 68 H ASN 68 44.702 -4.994 7.815 508 HA ASN 68 HA ASN 68 45.702 -2.639 6.509 509 1HB ASN 68 HB2 ASN 68 43.351 -3.516 6.384 510 2HB ASN 68 HB3 ASN 68 43.118 -3.075 8.078 511 1HD2 ASN 68 HD22 ASN 68 42.010 -1.150 8.290 512 2HD2 ASN 68 HD21 ASN 68 42.128 0.180 7.147 513 H ALA 69 H ALA 69 45.588 -3.441 9.897 514 HA ALA 69 HA ALA 69 46.271 -0.667 10.667 515 1HB ALA 69 HB1 ALA 69 44.573 -1.745 12.020 516 2HB ALA 69 HB2 ALA 69 45.524 -3.222 12.212 517 3HB ALA 69 HB3 ALA 69 46.052 -1.708 12.998 518 H GLN 70 H GLN 70 47.650 -3.983 10.832 519 HA GLN 70 HA GLN 70 50.145 -3.299 11.978 520 1HB GLN 70 HB2 GLN 70 49.172 -5.568 11.869 521 2HB GLN 70 HB3 GLN 70 49.389 -5.585 10.122 522 1HG GLN 70 HG2 GLN 70 51.121 -6.902 11.250 523 2HG GLN 70 HG3 GLN 70 51.809 -5.566 10.346 524 1HE2 GLN 70 HE22 GLN 70 53.743 -5.321 11.563 525 2HE2 GLN 70 HE21 GLN 70 53.723 -4.884 13.264 526 H SER 71 H SER 71 49.158 -3.172 8.538 527 HA SER 71 HA SER 71 51.715 -2.901 7.384 528 1HB SER 71 HB2 SER 71 49.126 -1.616 6.468 529 2HB SER 71 HB3 SER 71 50.616 -1.752 5.513 530 HG SER 71 HG SER 71 48.905 -3.785 6.470 531 H SER 72 H SER 72 49.933 -0.540 9.258 532 HA SER 72 HA SER 72 51.345 1.842 8.566 533 1HB SER 72 HB2 SER 72 49.202 1.558 9.951 534 2HB SER 72 HB3 SER 72 50.247 1.105 11.302 535 HG SER 72 HG SER 72 50.175 3.579 9.872 536 H ALA 73 H ALA 73 52.274 -0.904 10.610 537 HA ALA 73 HA ALA 73 54.756 0.444 11.520 538 1HB ALA 73 HB1 ALA 73 55.051 -1.582 12.870 539 2HB ALA 73 HB2 ALA 73 53.444 -0.881 13.140 540 3HB ALA 73 HB3 ALA 73 53.622 -2.321 12.111 541 H VAL 74 H VAL 74 53.739 -2.095 9.202 542 HA VAL 74 HA VAL 74 56.278 -3.073 8.477 543 HB VAL 74 HB VAL 74 53.767 -2.732 6.814 544 1HG1 VAL 74 HG11 VAL 74 54.689 -4.600 5.484 545 2HG1 VAL 74 HG12 VAL 74 55.639 -3.118 5.352 546 3HG1 VAL 74 HG13 VAL 74 56.218 -4.448 6.388 547 1HG2 VAL 74 HG21 VAL 74 53.451 -4.170 8.857 548 2HG2 VAL 74 HG22 VAL 74 53.354 -5.106 7.370 549 3HG2 VAL 74 HG23 VAL 74 54.834 -5.151 8.352 550 H LYS 75 H LYS 75 54.604 -0.123 7.496 551 HA LYS 75 HA LYS 75 56.280 0.938 5.525 552 1HB LYS 75 HB2 LYS 75 54.115 1.845 6.356 553 2HB LYS 75 HB3 LYS 75 54.897 2.345 7.849 554 1HG LYS 75 HG2 LYS 75 54.519 4.225 6.361 555 2HG LYS 75 HG3 LYS 75 56.240 3.998 6.653 556 1HD LYS 75 HD2 LYS 75 56.513 2.968 4.417 557 2HD LYS 75 HD3 LYS 75 54.762 2.990 4.177 558 1HE LYS 75 HE2 LYS 75 55.716 4.808 2.926 559 2HE LYS 75 HE3 LYS 75 54.767 5.469 4.259 560 1HZ LYS 75 HZ1 LYS 75 56.842 5.854 5.469 561 2HZ LYS 75 HZ2 LYS 75 57.730 5.185 4.267 562 3HZ LYS 75 HZ3 LYS 75 56.926 6.582 4.015 563 H SER 76 H SER 76 57.155 0.418 8.841 564 HA SER 76 HA SER 76 59.788 1.819 8.431 565 1HB SER 76 HB2 SER 76 58.333 2.754 10.242 566 2HB SER 76 HB3 SER 76 58.336 1.168 11.026 567 HG SER 76 HG SER 76 60.538 2.929 10.570 568 H MET 77 H MET 77 58.230 -1.186 9.702 569 HA MET 77 HA MET 77 60.608 -2.565 10.346 570 1HB MET 77 HB2 MET 77 58.195 -3.191 10.861 571 2HB MET 77 HB3 MET 77 58.102 -3.854 9.220 572 1HG MET 77 HG2 MET 77 59.932 -5.414 9.729 573 2HG MET 77 HG3 MET 77 60.095 -4.712 11.345 574 1HE MET 77 HE1 MET 77 59.796 -7.838 10.774 575 2HE MET 77 HE2 MET 77 59.980 -7.123 12.393 576 3HE MET 77 HE3 MET 77 58.674 -8.286 12.077 577 H LYS 78 H LYS 78 59.226 -1.992 7.129 578 HA LYS 78 HA LYS 78 60.750 -3.800 5.593 579 1HB LYS 78 HB2 LYS 78 60.413 -2.323 3.738 580 2HB LYS 78 HB3 LYS 78 58.942 -2.413 4.705 581 1HG LYS 78 HG2 LYS 78 59.579 -0.214 5.785 582 2HG LYS 78 HG3 LYS 78 60.955 -0.109 4.687 583 1HD LYS 78 HD2 LYS 78 58.027 -0.236 3.843 584 2HD LYS 78 HD3 LYS 78 59.014 1.230 3.937 585 1HE LYS 78 HE2 LYS 78 60.587 0.269 2.250 586 2HE LYS 78 HE3 LYS 78 59.554 -1.159 2.113 587 1HZ LYS 78 HZ1 LYS 78 59.063 0.444 0.367 588 2HZ LYS 78 HZ2 LYS 78 57.757 0.297 1.332 589 3HZ LYS 78 HZ3 LYS 78 58.721 1.615 1.447 590 H ASP 79 H ASP 79 61.923 -0.950 7.278 591 HA ASP 79 HA ASP 79 64.447 -0.697 5.910 592 1HB ASP 79 HB2 ASP 79 63.326 1.019 7.391 593 2HB ASP 79 HB3 ASP 79 63.734 0.013 8.780 594 H ILE 80 H ILE 80 63.303 -2.800 8.517 595 HA ILE 80 HA ILE 80 65.957 -3.928 9.123 596 HB ILE 80 HB ILE 80 63.192 -4.927 9.920 597 1HG1 ILE 80 HG12 ILE 80 63.373 -2.691 10.816 598 2HG1 ILE 80 HG13 ILE 80 63.542 -3.858 12.108 599 1HG2 ILE 80 HG21 ILE 80 64.844 -6.665 10.170 600 2HG2 ILE 80 HG22 ILE 80 65.959 -5.569 11.009 601 3HG2 ILE 80 HG23 ILE 80 64.427 -6.053 11.769 602 1HD1 ILE 80 HD11 ILE 80 65.829 -2.302 10.816 603 2HD1 ILE 80 HD12 ILE 80 65.108 -2.007 12.406 604 3HD1 ILE 80 HD13 ILE 80 66.012 -3.502 12.120 605 H ASP 81 H ASP 81 63.002 -4.888 7.388 606 HA ASP 81 HA ASP 81 63.795 -7.455 6.528 607 1HB ASP 81 HB2 ASP 81 61.509 -6.442 6.377 608 2HB ASP 81 HB3 ASP 81 62.073 -5.463 5.021 609 H SER 82 H SER 82 64.491 -4.319 5.043 610 HA SER 82 HA SER 82 65.750 -5.008 2.660 611 1HB SER 82 HB2 SER 82 65.211 -2.720 3.564 612 2HB SER 82 HB3 SER 82 66.667 -2.836 4.573 613 HG SER 82 HG SER 82 67.044 -1.741 2.581 614 H SER 83 H SER 83 67.031 -5.583 5.884 615 HA SER 83 HA SER 83 69.771 -6.128 4.882 616 1HB SER 83 HB2 SER 83 68.625 -6.126 7.697 617 2HB SER 83 HB3 SER 83 70.329 -6.355 7.269 618 HG SER 83 HG SER 83 69.866 -4.176 7.825 619 H ILE 84 H ILE 84 66.984 -7.992 5.033 620 HA ILE 84 HA ILE 84 68.537 -10.510 5.407 621 HB ILE 84 HB ILE 84 67.641 -9.639 7.578 622 1HG1 ILE 84 HG12 ILE 84 66.479 -12.357 6.880 623 2HG1 ILE 84 HG13 ILE 84 68.208 -12.057 7.090 624 1HG2 ILE 84 HG21 ILE 84 65.519 -8.728 6.776 625 2HG2 ILE 84 HG22 ILE 84 64.903 -10.369 6.472 626 3HG2 ILE 84 HG23 ILE 84 65.279 -9.831 8.122 627 1HD1 ILE 84 HD11 ILE 84 67.297 -12.940 9.147 628 2HD1 ILE 84 HD12 ILE 84 67.772 -11.252 9.412 629 3HD1 ILE 84 HD13 ILE 84 66.055 -11.681 9.213 630 H LEU 85 H LEU 85 66.017 -8.964 3.665 631 HA LEU 85 HA LEU 85 64.332 -11.077 3.039 632 1HB LEU 85 HB2 LEU 85 63.387 -9.687 1.442 633 2HB LEU 85 HB3 LEU 85 64.008 -8.606 2.662 634 HG LEU 85 HG LEU 85 65.167 -9.145 -0.109 635 1HD1 LEU 85 HD11 LEU 85 64.006 -6.637 1.164 636 2HD1 LEU 85 HD12 LEU 85 64.616 -6.790 -0.501 637 3HD1 LEU 85 HD13 LEU 85 63.175 -7.690 -0.001 638 1HD2 LEU 85 HD21 LEU 85 66.293 -7.312 2.043 639 2HD2 LEU 85 HD22 LEU 85 67.096 -8.737 1.348 640 3HD2 LEU 85 HD23 LEU 85 66.790 -7.324 0.341 641 H GLU 86 H GLU 86 67.537 -11.153 2.036 642 HA GLU 86 HA GLU 86 67.391 -11.889 -0.704 643 1HB GLU 86 HB2 GLU 86 69.441 -12.638 1.422 644 2HB GLU 86 HB3 GLU 86 69.644 -12.873 -0.320 645 1HG GLU 86 HG2 GLU 86 69.376 -10.414 -0.670 646 2HG GLU 86 HG3 GLU 86 69.281 -10.187 1.078 647 H HIS 87 H HIS 87 67.057 -13.761 -1.807 648 HA HIS 87 HA HIS 87 65.734 -15.991 -0.656 649 1HB HIS 87 HB2 HIS 87 67.277 -15.807 -3.275 650 2HB HIS 87 HB3 HIS 87 66.124 -17.069 -2.844 651 HD1 HIS 87 HD1 HIS 87 66.182 -13.927 -4.715 652 HD2 HIS 87 HD2 HIS 87 63.497 -15.951 -2.178 653 HE1 HIS 87 HE1 HIS 87 63.879 -12.947 -5.187 654 H HIS 88 H HIS 88 66.441 -17.710 0.451 655 HA HIS 88 HA HIS 88 69.284 -18.021 1.041 656 1HB HIS 88 HB2 HIS 88 66.766 -19.441 1.979 657 2HB HIS 88 HB3 HIS 88 68.380 -19.873 2.519 658 HD1 HIS 88 HD1 HIS 88 67.420 -16.108 2.263 659 HD2 HIS 88 HD2 HIS 88 67.964 -19.240 5.037 660 HE1 HIS 88 HE1 HIS 88 67.419 -15.035 4.555 661 H HIS 89 H HIS 89 67.189 -19.510 -1.293 662 HA HIS 89 HA HIS 89 68.544 -22.048 -1.546 663 1HB HIS 89 HB2 HIS 89 66.841 -20.489 -3.534 664 2HB HIS 89 HB3 HIS 89 67.311 -22.179 -3.693 665 HD1 HIS 89 HD1 HIS 89 64.394 -20.334 -2.638 666 HD2 HIS 89 HD2 HIS 89 66.535 -23.675 -1.230 667 HE1 HIS 89 HE1 HIS 89 62.799 -21.618 -1.121 668 H HIS 90 H HIS 90 69.830 -22.773 -3.328 669 HA HIS 90 HA HIS 90 71.444 -20.734 -4.789 670 1HB HIS 90 HB2 HIS 90 73.507 -21.804 -4.071 671 2HB HIS 90 HB3 HIS 90 72.587 -21.260 -2.679 672 HD1 HIS 90 HD1 HIS 90 73.555 -24.545 -4.465 673 HD2 HIS 90 HD2 HIS 90 71.810 -23.106 -0.913 674 HE1 HIS 90 HE1 HIS 90 73.342 -26.556 -2.908 675 H HIS 91 H HIS 91 69.430 -23.167 -5.349 676 HA HIS 91 HA HIS 91 70.657 -23.887 -7.901 677 1HB HIS 91 HB2 HIS 91 71.546 -25.585 -6.257 678 2HB HIS 91 HB3 HIS 91 69.887 -26.061 -5.900 679 HD1 HIS 91 HD1 HIS 91 68.780 -27.749 -7.663 680 HD2 HIS 91 HD2 HIS 91 72.474 -26.085 -8.813 681 HE1 HIS 91 HE1 HIS 91 69.486 -28.975 -9.783 682 H HIS 92 H HIS 92 69.106 -24.839 -9.366 683 HA HIS 92 HA HIS 92 66.226 -24.594 -8.677 684 1HB HIS 92 HB2 HIS 92 67.577 -23.077 -10.946 685 2HB HIS 92 HB3 HIS 92 65.853 -23.102 -10.589 686 HD1 HIS 92 HD1 HIS 92 65.275 -22.008 -7.989 687 HD2 HIS 92 HD2 HIS 92 68.942 -21.138 -9.852 688 HE1 HIS 92 HE1 HIS 92 66.211 -19.954 -6.795 Start of MODEL 8 1 1H MET 1 H1 MET 1 47.012 -43.056 19.203 2 2H MET 1 H2 MET 1 47.139 -44.432 18.327 3 3H MET 1 H3 MET 1 48.307 -44.042 19.403 4 HA MET 1 HA MET 1 47.649 -42.554 16.962 5 1HB MET 1 HB2 MET 1 49.515 -41.120 17.350 6 2HB MET 1 HB3 MET 1 48.453 -41.045 18.740 7 1HG MET 1 HG2 MET 1 51.070 -42.599 18.577 8 2HG MET 1 HG3 MET 1 50.869 -41.020 19.306 9 1HE MET 1 HE1 MET 1 49.953 -40.527 21.675 10 2HE MET 1 HE2 MET 1 48.347 -41.053 21.116 11 3HE MET 1 HE3 MET 1 49.010 -41.686 22.636 12 H SER 2 H SER 2 48.937 -42.873 15.148 13 HA SER 2 HA SER 2 49.834 -45.546 14.795 14 1HB SER 2 HB2 SER 2 50.286 -43.145 12.985 15 2HB SER 2 HB3 SER 2 50.321 -44.856 12.515 16 HG SER 2 HG SER 2 48.295 -43.844 12.053 17 H ASN 3 H ASN 3 51.692 -42.662 15.578 18 HA ASN 3 HA ASN 3 54.165 -44.193 15.868 19 1HB ASN 3 HB2 ASN 3 55.461 -42.769 14.308 20 2HB ASN 3 HB3 ASN 3 54.215 -43.659 13.459 21 1HD2 ASN 3 HD22 ASN 3 55.261 -40.413 14.503 22 2HD2 ASN 3 HD21 ASN 3 54.117 -39.587 13.453 23 HA PRO 4 HA PRO 4 54.886 -40.819 18.795 24 1HB PRO 4 HB2 PRO 4 57.588 -40.886 19.152 25 2HB PRO 4 HB3 PRO 4 56.518 -42.204 19.718 26 1HG PRO 4 HG2 PRO 4 58.135 -42.082 17.154 27 2HG PRO 4 HG3 PRO 4 58.050 -43.419 18.344 28 1HD PRO 4 HD2 PRO 4 56.552 -43.359 16.057 29 2HD PRO 4 HD3 PRO 4 55.940 -44.101 17.555 30 HA PRO 5 HA PRO 5 56.134 -37.264 16.301 31 1HB PRO 5 HB2 PRO 5 56.807 -35.399 18.169 32 2HB PRO 5 HB3 PRO 5 55.131 -36.002 17.982 33 1HG PRO 5 HG2 PRO 5 57.233 -36.928 19.969 34 2HG PRO 5 HG3 PRO 5 55.535 -36.452 20.297 35 1HD PRO 5 HD2 PRO 5 56.291 -39.059 19.979 36 2HD PRO 5 HD3 PRO 5 54.701 -38.468 19.415 37 H THR 6 H THR 6 57.979 -35.699 15.969 38 HA THR 6 HA THR 6 60.667 -36.564 16.925 39 HB THR 6 HB THR 6 61.652 -36.255 14.775 40 HG1 THR 6 HG1 THR 6 60.309 -36.110 12.923 41 1HG2 THR 6 HG21 THR 6 60.931 -38.265 13.632 42 2HG2 THR 6 HG22 THR 6 60.917 -38.543 15.381 43 3HG2 THR 6 HG23 THR 6 59.388 -38.272 14.514 44 HA PRO 7 HA PRO 7 61.509 -32.566 18.079 45 1HB PRO 7 HB2 PRO 7 63.958 -32.617 16.302 46 2HB PRO 7 HB3 PRO 7 63.808 -32.108 18.015 47 1HG PRO 7 HG2 PRO 7 64.760 -34.577 17.412 48 2HG PRO 7 HG3 PRO 7 63.596 -34.358 18.759 49 1HD PRO 7 HD2 PRO 7 63.083 -35.360 15.959 50 2HD PRO 7 HD3 PRO 7 62.443 -35.942 17.489 51 H LEU 8 H LEU 8 61.853 -32.877 14.539 52 HA LEU 8 HA LEU 8 61.704 -30.194 13.744 53 1HB LEU 8 HB2 LEU 8 62.247 -32.097 12.292 54 2HB LEU 8 HB3 LEU 8 60.606 -32.723 12.452 55 HG LEU 8 HG LEU 8 59.713 -30.791 11.211 56 1HD1 LEU 8 HD11 LEU 8 61.253 -29.249 10.023 57 2HD1 LEU 8 HD12 LEU 8 61.361 -29.042 11.772 58 3HD1 LEU 8 HD13 LEU 8 62.630 -29.942 10.910 59 1HD2 LEU 8 HD21 LEU 8 60.412 -32.820 10.004 60 2HD2 LEU 8 HD22 LEU 8 60.631 -31.364 9.020 61 3HD2 LEU 8 HD23 LEU 8 62.039 -32.135 9.787 62 H LEU 9 H LEU 9 59.110 -32.141 15.095 63 HA LEU 9 HA LEU 9 56.876 -30.704 14.096 64 1HB LEU 9 HB2 LEU 9 56.830 -32.934 15.194 65 2HB LEU 9 HB3 LEU 9 57.248 -32.178 16.733 66 HG LEU 9 HG LEU 9 55.096 -30.939 16.723 67 1HD1 LEU 9 HD11 LEU 9 54.641 -30.762 14.310 68 2HD1 LEU 9 HD12 LEU 9 54.529 -32.533 14.179 69 3HD1 LEU 9 HD13 LEU 9 53.321 -31.617 15.107 70 1HD2 LEU 9 HD21 LEU 9 55.273 -33.142 17.807 71 2HD2 LEU 9 HD22 LEU 9 53.655 -32.876 17.141 72 3HD2 LEU 9 HD23 LEU 9 54.800 -33.937 16.287 73 H ALA 10 H ALA 10 59.054 -29.915 16.831 74 HA ALA 10 HA ALA 10 57.634 -27.332 17.215 75 1HB ALA 10 HB1 ALA 10 57.156 -27.837 19.585 76 2HB ALA 10 HB2 ALA 10 56.345 -28.992 18.518 77 3HB ALA 10 HB3 ALA 10 57.824 -29.470 19.384 78 H ASP 11 H ASP 11 60.704 -28.908 17.347 79 HA ASP 11 HA ASP 11 61.879 -27.790 19.615 80 1HB ASP 11 HB2 ASP 11 62.816 -29.589 18.224 81 2HB ASP 11 HB3 ASP 11 63.174 -28.428 16.942 82 H TYR 12 H TYR 12 61.083 -26.036 16.746 83 HA TYR 12 HA TYR 12 62.913 -23.798 17.086 84 1HB TYR 12 HB2 TYR 12 61.622 -22.821 15.255 85 2HB TYR 12 HB3 TYR 12 62.091 -24.470 14.892 86 HD1 TYR 12 HD1 TYR 12 59.249 -22.234 15.704 87 HD2 TYR 12 HD2 TYR 12 60.423 -26.272 14.716 88 HE1 TYR 12 HE1 TYR 12 56.862 -22.840 15.336 89 HE2 TYR 12 HE2 TYR 12 58.045 -26.880 14.393 90 HH TYR 12 HH TYR 12 55.381 -24.498 14.851 91 H GLU 13 H GLU 13 60.302 -24.648 18.998 92 HA GLU 13 HA GLU 13 58.574 -22.531 19.118 93 1HB GLU 13 HB2 GLU 13 57.967 -23.267 21.342 94 2HB GLU 13 HB3 GLU 13 58.246 -24.644 20.289 95 1HG GLU 13 HG2 GLU 13 60.539 -24.915 21.299 96 2HG GLU 13 HG3 GLU 13 60.197 -23.566 22.382 97 H TRP 14 H TRP 14 61.826 -22.288 20.317 98 HA TRP 14 HA TRP 14 61.522 -20.055 22.121 99 1HB TRP 14 HB2 TRP 14 63.986 -19.780 21.613 100 2HB TRP 14 HB3 TRP 14 63.497 -21.339 22.250 101 HD1 TRP 14 HD1 TRP 14 63.951 -23.451 20.858 102 HE1 TRP 14 HE1 TRP 14 65.021 -23.980 18.605 103 HE3 TRP 14 HE3 TRP 14 64.503 -18.669 19.086 104 HZ2 TRP 14 HZ2 TRP 14 65.933 -22.526 16.274 105 HZ3 TRP 14 HZ3 TRP 14 65.449 -18.277 16.822 106 HH2 TRP 14 HH2 TRP 14 66.154 -20.193 15.406 107 H SER 15 H SER 15 61.456 -20.253 18.626 108 HA SER 15 HA SER 15 62.428 -17.726 17.881 109 1HB SER 15 HB2 SER 15 61.917 -19.637 16.360 110 2HB SER 15 HB3 SER 15 60.190 -19.280 16.539 111 HG SER 15 HG SER 15 62.246 -17.714 15.342 112 H GLY 16 H GLY 16 61.826 -15.809 18.575 113 1HA GLY 16 HA2 GLY 16 59.706 -14.244 18.366 114 2HA GLY 16 HA3 GLY 16 59.093 -15.339 19.626 115 H TYR 17 H TYR 17 61.653 -15.667 20.953 116 HA TYR 17 HA TYR 17 61.622 -13.548 22.828 117 1HB TYR 17 HB2 TYR 17 63.292 -14.654 23.918 118 2HB TYR 17 HB3 TYR 17 62.622 -15.966 22.974 119 HD1 TYR 17 HD1 TYR 17 63.850 -16.399 20.607 120 HD2 TYR 17 HD2 TYR 17 65.592 -14.246 23.915 121 HE1 TYR 17 HE1 TYR 17 66.120 -16.778 19.661 122 HE2 TYR 17 HE2 TYR 17 67.857 -14.633 22.970 123 HH TYR 17 HH TYR 17 69.082 -15.562 21.269 124 H LEU 18 H LEU 18 63.335 -13.801 19.847 125 HA LEU 18 HA LEU 18 64.289 -11.011 19.917 126 1HB LEU 18 HB2 LEU 18 66.188 -12.429 20.696 127 2HB LEU 18 HB3 LEU 18 65.997 -13.470 19.289 128 HG LEU 18 HG LEU 18 66.640 -11.586 17.800 129 1HD1 LEU 18 HD11 LEU 18 65.950 -9.646 19.199 130 2HD1 LEU 18 HD12 LEU 18 67.187 -10.078 20.395 131 3HD1 LEU 18 HD13 LEU 18 67.660 -9.553 18.766 132 1HD2 LEU 18 HD21 LEU 18 68.335 -13.163 18.634 133 2HD2 LEU 18 HD22 LEU 18 69.018 -11.539 18.448 134 3HD2 LEU 18 HD23 LEU 18 68.598 -12.145 20.066 135 H THR 19 H THR 19 64.142 -10.114 17.891 136 HA THR 19 HA THR 19 63.219 -11.718 15.560 137 HB THR 19 HB THR 19 61.292 -11.325 17.034 138 HG1 THR 19 HG1 THR 19 60.885 -11.408 14.854 139 1HG2 THR 19 HG21 THR 19 60.335 -9.092 17.346 140 2HG2 THR 19 HG22 THR 19 61.908 -9.222 18.128 141 3HG2 THR 19 HG23 THR 19 61.753 -8.349 16.587 142 H GLY 20 H GLY 20 65.656 -10.214 15.994 143 1HA GLY 20 HA2 GLY 20 66.982 -8.531 15.122 144 2HA GLY 20 HA3 GLY 20 65.887 -8.510 13.727 145 H ILE 21 H ILE 21 65.234 -7.797 17.094 146 HA ILE 21 HA ILE 21 63.339 -6.384 17.517 147 HB ILE 21 HB ILE 21 65.061 -6.578 19.113 148 1HG1 ILE 21 HG12 ILE 21 63.996 -3.725 19.114 149 2HG1 ILE 21 HG13 ILE 21 63.029 -5.157 19.472 150 1HG2 ILE 21 HG21 ILE 21 66.978 -5.633 17.802 151 2HG2 ILE 21 HG22 ILE 21 66.334 -4.005 18.090 152 3HG2 ILE 21 HG23 ILE 21 66.868 -5.010 19.447 153 1HD1 ILE 21 HD11 ILE 21 65.434 -4.180 21.063 154 2HD1 ILE 21 HD12 ILE 21 63.731 -4.130 21.543 155 3HD1 ILE 21 HD13 ILE 21 64.552 -5.695 21.375 156 H GLY 22 H GLY 22 62.638 -5.940 15.424 157 1HA GLY 22 HA2 GLY 22 62.316 -2.985 15.025 158 2HA GLY 22 HA3 GLY 22 62.533 -4.083 13.648 159 H ARG 23 H ARG 23 60.988 -6.269 14.497 160 HA ARG 23 HA ARG 23 58.251 -5.632 14.101 161 1HB ARG 23 HB2 ARG 23 59.387 -7.839 13.741 162 2HB ARG 23 HB3 ARG 23 59.540 -8.022 15.473 163 1HG ARG 23 HG2 ARG 23 57.746 -9.416 14.705 164 2HG ARG 23 HG3 ARG 23 57.073 -8.139 15.697 165 1HD ARG 23 HD2 ARG 23 55.613 -8.426 13.839 166 2HD ARG 23 HD3 ARG 23 56.464 -6.897 13.587 167 HE ARG 23 HE ARG 23 57.845 -9.067 12.283 168 1HH1 ARG 23 HH21 ARG 23 54.985 -7.069 11.875 169 2HH1 ARG 23 HH22 ARG 23 55.089 -7.146 10.126 170 1HH2 ARG 23 HH11 ARG 23 57.880 -9.148 10.059 171 2HH2 ARG 23 HH12 ARG 23 56.652 -8.335 9.138 172 H ALA 24 H ALA 24 60.092 -5.076 16.957 173 HA ALA 24 HA ALA 24 57.904 -5.138 18.831 174 1HB ALA 24 HB1 ALA 24 59.465 -3.847 20.271 175 2HB ALA 24 HB2 ALA 24 60.312 -5.203 19.507 176 3HB ALA 24 HB3 ALA 24 60.526 -3.552 18.878 177 H PHE 25 H PHE 25 58.604 -2.830 16.310 178 HA PHE 25 HA PHE 25 56.836 -0.833 17.524 179 1HB PHE 25 HB2 PHE 25 57.930 -1.077 14.693 180 2HB PHE 25 HB3 PHE 25 57.054 0.312 15.324 181 HD1 PHE 25 HD1 PHE 25 60.281 -0.837 14.632 182 HD2 PHE 25 HD2 PHE 25 58.051 1.241 17.684 183 HE1 PHE 25 HE1 PHE 25 62.388 0.143 15.505 184 HE2 PHE 25 HE2 PHE 25 60.160 2.227 18.549 185 HZ PHE 25 HZ PHE 25 62.331 1.675 17.466 186 H ASP 26 H ASP 26 56.192 -3.782 16.485 187 HA ASP 26 HA ASP 26 53.401 -3.305 15.526 188 1HB ASP 26 HB2 ASP 26 55.140 -3.943 13.777 189 2HB ASP 26 HB3 ASP 26 55.418 -5.411 14.701 190 H ASP 27 H ASP 27 54.835 -3.950 18.238 191 HA ASP 27 HA ASP 27 54.647 -6.612 18.966 192 1HB ASP 27 HB2 ASP 27 55.816 -4.838 20.197 193 2HB ASP 27 HB3 ASP 27 54.270 -4.160 20.711 194 H GLY 28 H GLY 28 51.988 -4.299 18.919 195 1HA GLY 28 HA2 GLY 28 50.031 -5.840 20.368 196 2HA GLY 28 HA3 GLY 28 49.711 -4.533 19.223 197 H VAL 29 H VAL 29 51.373 -6.334 17.233 198 HA VAL 29 HA VAL 29 49.275 -8.354 16.573 199 HB VAL 29 HB VAL 29 50.743 -6.858 14.395 200 1HG1 VAL 29 HG11 VAL 29 48.126 -8.432 14.651 201 2HG1 VAL 29 HG12 VAL 29 48.557 -7.507 13.191 202 3HG1 VAL 29 HG13 VAL 29 49.549 -8.872 13.694 203 1HG2 VAL 29 HG21 VAL 29 48.753 -5.392 14.129 204 2HG2 VAL 29 HG22 VAL 29 48.140 -5.975 15.695 205 3HG2 VAL 29 HG23 VAL 29 49.671 -5.060 15.593 206 H LYS 30 H LYS 30 52.626 -7.743 17.027 207 HA LYS 30 HA LYS 30 53.921 -9.786 15.692 208 1HB LYS 30 HB2 LYS 30 54.991 -8.150 17.170 209 2HB LYS 30 HB3 LYS 30 54.226 -8.886 18.585 210 1HG LYS 30 HG2 LYS 30 55.550 -10.938 18.278 211 2HG LYS 30 HG3 LYS 30 56.286 -10.264 16.811 212 1HD LYS 30 HD2 LYS 30 57.235 -8.400 18.141 213 2HD LYS 30 HD3 LYS 30 56.499 -9.036 19.610 214 1HE LYS 30 HE2 LYS 30 58.522 -10.585 17.926 215 2HE LYS 30 HE3 LYS 30 58.979 -9.508 19.250 216 1HZ LYS 30 HZ1 LYS 30 58.838 -11.760 20.056 217 2HZ LYS 30 HZ2 LYS 30 57.654 -10.886 20.760 218 3HZ LYS 30 HZ3 LYS 30 57.287 -11.927 19.550 219 H ASP 31 H ASP 31 51.789 -10.086 18.449 220 HA ASP 31 HA ASP 31 51.906 -12.800 19.128 221 1HB ASP 31 HB2 ASP 31 50.612 -10.992 20.269 222 2HB ASP 31 HB3 ASP 31 49.538 -10.887 18.862 223 H LEU 32 H LEU 32 49.973 -11.310 16.552 224 HA LEU 32 HA LEU 32 48.781 -13.840 15.666 225 1HB LEU 32 HB2 LEU 32 47.995 -11.218 15.682 226 2HB LEU 32 HB3 LEU 32 48.745 -11.250 14.108 227 HG LEU 32 HG LEU 32 46.345 -12.837 15.111 228 1HD1 LEU 32 HD11 LEU 32 45.236 -11.588 13.236 229 2HD1 LEU 32 HD12 LEU 32 45.912 -10.536 14.484 230 3HD1 LEU 32 HD13 LEU 32 46.767 -10.726 12.948 231 1HD2 LEU 32 HD21 LEU 32 46.147 -13.728 12.759 232 2HD2 LEU 32 HD22 LEU 32 47.826 -13.206 12.488 233 3HD2 LEU 32 HD23 LEU 32 47.457 -14.429 13.710 234 H ASN 33 H ASN 33 51.379 -11.639 14.714 235 HA ASN 33 HA ASN 33 52.026 -12.894 12.192 236 1HB ASN 33 HB2 ASN 33 52.779 -10.598 12.885 237 2HB ASN 33 HB3 ASN 33 53.843 -11.340 14.079 238 1HD2 ASN 33 HD22 ASN 33 53.303 -10.930 10.551 239 2HD2 ASN 33 HD21 ASN 33 54.933 -11.416 10.141 240 H LYS 34 H LYS 34 53.126 -13.530 15.520 241 HA LYS 34 HA LYS 34 54.897 -15.711 14.885 242 1HB LYS 34 HB2 LYS 34 54.892 -14.429 17.023 243 2HB LYS 34 HB3 LYS 34 53.341 -15.168 17.447 244 1HG LYS 34 HG2 LYS 34 54.418 -17.418 17.424 245 2HG LYS 34 HG3 LYS 34 55.940 -16.683 16.906 246 1HD LYS 34 HD2 LYS 34 56.036 -17.187 19.266 247 2HD LYS 34 HD3 LYS 34 56.067 -15.431 19.048 248 1HE LYS 34 HE2 LYS 34 53.674 -15.287 19.630 249 2HE LYS 34 HE3 LYS 34 53.560 -17.049 19.712 250 1HZ LYS 34 HZ1 LYS 34 55.230 -15.376 21.517 251 2HZ LYS 34 HZ2 LYS 34 53.811 -16.073 21.920 252 3HZ LYS 34 HZ3 LYS 34 55.107 -17.005 21.590 253 H GLN 35 H GLN 35 51.428 -15.656 15.668 254 HA GLN 35 HA GLN 35 50.970 -18.499 15.526 255 1HB GLN 35 HB2 GLN 35 49.170 -16.094 15.027 256 2HB GLN 35 HB3 GLN 35 48.586 -17.753 14.905 257 1HG GLN 35 HG2 GLN 35 49.008 -18.208 17.178 258 2HG GLN 35 HG3 GLN 35 49.988 -16.766 17.412 259 1HE2 GLN 35 HE22 GLN 35 48.975 -14.836 17.918 260 2HE2 GLN 35 HE21 GLN 35 47.243 -14.705 18.203 261 H LEU 36 H LEU 36 50.892 -15.989 13.022 262 HA LEU 36 HA LEU 36 50.208 -17.749 10.840 263 1HB LEU 36 HB2 LEU 36 49.779 -15.330 11.011 264 2HB LEU 36 HB3 LEU 36 51.508 -15.036 10.810 265 HG LEU 36 HG LEU 36 51.484 -16.029 8.592 266 1HD1 LEU 36 HD11 LEU 36 49.834 -17.795 8.615 267 2HD1 LEU 36 HD12 LEU 36 48.546 -16.643 9.021 268 3HD1 LEU 36 HD13 LEU 36 49.325 -16.552 7.452 269 1HD2 LEU 36 HD21 LEU 36 49.997 -14.309 7.572 270 2HD2 LEU 36 HD22 LEU 36 49.076 -14.262 9.079 271 3HD2 LEU 36 HD23 LEU 36 50.747 -13.651 9.034 272 H GLN 37 H GLN 37 53.367 -16.561 12.061 273 HA GLN 37 HA GLN 37 54.923 -17.960 10.089 274 1HB GLN 37 HB2 GLN 37 55.739 -16.081 11.546 275 2HB GLN 37 HB3 GLN 37 55.672 -17.168 12.943 276 1HG GLN 37 HG2 GLN 37 57.377 -18.637 11.869 277 2HG GLN 37 HG3 GLN 37 57.369 -17.594 10.444 278 1HE2 GLN 37 HE22 GLN 37 59.650 -17.117 10.664 279 2HE2 GLN 37 HE21 GLN 37 60.221 -16.094 11.974 280 H ASP 38 H ASP 38 53.568 -18.990 13.237 281 HA ASP 38 HA ASP 38 54.710 -21.639 13.117 282 1HB ASP 38 HB2 ASP 38 53.782 -20.653 15.195 283 2HB ASP 38 HB3 ASP 38 52.158 -20.768 14.511 284 H ALA 39 H ALA 39 51.680 -20.269 11.781 285 HA ALA 39 HA ALA 39 50.766 -22.717 10.626 286 1HB ALA 39 HB1 ALA 39 49.264 -21.514 9.362 287 2HB ALA 39 HB2 ALA 39 49.612 -20.248 10.615 288 3HB ALA 39 HB3 ALA 39 50.380 -20.189 9.028 289 H GLN 40 H GLN 40 52.931 -20.221 9.374 290 HA GLN 40 HA GLN 40 53.537 -21.495 6.887 291 1HB GLN 40 HB2 GLN 40 53.872 -19.008 7.720 292 2HB GLN 40 HB3 GLN 40 55.389 -19.595 8.392 293 1HG GLN 40 HG2 GLN 40 56.137 -20.328 6.157 294 2HG GLN 40 HG3 GLN 40 54.592 -19.847 5.456 295 1HE2 GLN 40 HE22 GLN 40 56.770 -18.779 4.258 296 2HE2 GLN 40 HE21 GLN 40 56.962 -17.096 4.727 297 H ALA 41 H ALA 41 54.882 -22.003 10.120 298 HA ALA 41 HA ALA 41 56.986 -23.788 9.103 299 1HB ALA 41 HB1 ALA 41 57.488 -24.236 11.396 300 2HB ALA 41 HB2 ALA 41 57.328 -22.488 11.151 301 3HB ALA 41 HB3 ALA 41 56.009 -23.399 11.943 302 H ASN 42 H ASN 42 53.689 -24.329 10.441 303 HA ASN 42 HA ASN 42 53.946 -27.205 10.171 304 1HB ASN 42 HB2 ASN 42 51.386 -25.515 10.065 305 2HB ASN 42 HB3 ASN 42 51.507 -27.241 10.226 306 1HD2 ASN 42 HD22 ASN 42 50.443 -25.111 12.141 307 2HD2 ASN 42 HD21 ASN 42 51.335 -25.412 13.621 308 H LEU 43 H LEU 43 53.136 -24.555 7.965 309 HA LEU 43 HA LEU 43 52.884 -26.241 5.684 310 1HB LEU 43 HB2 LEU 43 52.183 -23.659 6.182 311 2HB LEU 43 HB3 LEU 43 53.771 -23.357 5.502 312 HG LEU 43 HG LEU 43 53.171 -24.688 3.528 313 1HD1 LEU 43 HD11 LEU 43 50.558 -24.646 5.082 314 2HD1 LEU 43 HD12 LEU 43 50.584 -24.919 3.298 315 3HD1 LEU 43 HD13 LEU 43 51.363 -26.077 4.340 316 1HD2 LEU 43 HD21 LEU 43 51.227 -22.424 4.072 317 2HD2 LEU 43 HD22 LEU 43 52.901 -22.240 3.461 318 3HD2 LEU 43 HD23 LEU 43 51.690 -23.104 2.483 319 H THR 44 H THR 44 55.724 -24.624 7.142 320 HA THR 44 HA THR 44 57.467 -25.213 4.999 321 HB THR 44 HB THR 44 58.083 -24.987 7.956 322 HG1 THR 44 HG1 THR 44 57.379 -23.113 6.768 323 1HG2 THR 44 HG21 THR 44 60.437 -24.615 7.154 324 2HG2 THR 44 HG22 THR 44 59.832 -26.286 7.125 325 3HG2 THR 44 HG23 THR 44 59.912 -25.359 5.600 326 H LYS 45 H LYS 45 56.487 -27.172 7.753 327 HA LYS 45 HA LYS 45 58.127 -29.492 7.276 328 1HB LYS 45 HB2 LYS 45 55.414 -29.105 8.561 329 2HB LYS 45 HB3 LYS 45 56.332 -30.612 8.667 330 1HG LYS 45 HG2 LYS 45 58.039 -29.600 10.016 331 2HG LYS 45 HG3 LYS 45 57.473 -27.983 9.653 332 1HD LYS 45 HD2 LYS 45 55.208 -28.896 10.801 333 2HD LYS 45 HD3 LYS 45 56.349 -29.983 11.602 334 1HE LYS 45 HE2 LYS 45 57.625 -28.078 12.458 335 2HE LYS 45 HE3 LYS 45 56.710 -26.958 11.448 336 1HZ LYS 45 HZ1 LYS 45 55.655 -28.418 13.810 337 2HZ LYS 45 HZ2 LYS 45 55.840 -26.822 13.646 338 3HZ LYS 45 HZ3 LYS 45 54.693 -27.556 12.776 339 H ASN 46 H ASN 46 55.036 -28.559 5.820 340 HA ASN 46 HA ASN 46 55.647 -30.240 3.568 341 1HB ASN 46 HB2 ASN 46 54.451 -31.746 5.113 342 2HB ASN 46 HB3 ASN 46 53.124 -30.604 5.106 343 1HD2 ASN 46 HD22 ASN 46 52.968 -33.405 4.282 344 2HD2 ASN 46 HD21 ASN 46 52.712 -33.461 2.544 345 HA PRO 47 HA PRO 47 54.571 -25.971 2.529 346 1HB PRO 47 HB2 PRO 47 55.481 -27.095 -0.089 347 2HB PRO 47 HB3 PRO 47 55.682 -25.430 0.594 348 1HG PRO 47 HG2 PRO 47 57.683 -27.276 0.826 349 2HG PRO 47 HG3 PRO 47 57.265 -26.189 2.189 350 1HD PRO 47 HD2 PRO 47 56.693 -29.100 1.904 351 2HD PRO 47 HD3 PRO 47 56.870 -28.108 3.348 352 H SER 48 H SER 48 53.119 -28.683 0.605 353 HA SER 48 HA SER 48 50.714 -27.038 0.669 354 1HB SER 48 HB2 SER 48 50.203 -27.797 -1.515 355 2HB SER 48 HB3 SER 48 51.842 -27.124 -1.470 356 HG SER 48 HG SER 48 51.742 -29.121 -2.664 357 H ASP 49 H ASP 49 51.446 -28.877 2.670 358 HA ASP 49 HA ASP 49 49.562 -31.107 2.619 359 1HB ASP 49 HB2 ASP 49 51.173 -31.249 4.236 360 2HB ASP 49 HB3 ASP 49 51.066 -29.631 4.809 361 HA PRO 50 HA PRO 50 46.297 -28.280 2.145 362 1HB PRO 50 HB2 PRO 50 44.115 -29.863 2.467 363 2HB PRO 50 HB3 PRO 50 45.214 -29.851 1.025 364 1HG PRO 50 HG2 PRO 50 45.159 -31.763 3.401 365 2HG PRO 50 HG3 PRO 50 45.329 -32.179 1.665 366 1HD PRO 50 HD2 PRO 50 47.474 -31.936 3.410 367 2HD PRO 50 HD3 PRO 50 47.597 -31.549 1.660 368 H THR 51 H THR 51 46.369 -30.066 5.211 369 HA THR 51 HA THR 51 44.458 -28.215 6.563 370 HB THR 51 HB THR 51 46.317 -30.394 7.425 371 HG1 THR 51 HG1 THR 51 44.394 -31.414 7.975 372 1HG2 THR 51 HG21 THR 51 45.313 -30.158 9.717 373 2HG2 THR 51 HG22 THR 51 46.411 -28.845 9.259 374 3HG2 THR 51 HG23 THR 51 44.644 -28.592 9.177 375 H ALA 52 H ALA 52 48.029 -28.689 6.332 376 HA ALA 52 HA ALA 52 48.737 -26.379 7.935 377 1HB ALA 52 HB1 ALA 52 50.866 -26.614 6.668 378 2HB ALA 52 HB2 ALA 52 50.313 -28.238 7.154 379 3HB ALA 52 HB3 ALA 52 50.085 -27.688 5.495 380 H LEU 53 H LEU 53 48.004 -26.671 4.500 381 HA LEU 53 HA LEU 53 48.441 -23.875 4.064 382 1HB LEU 53 HB2 LEU 53 48.760 -25.869 2.574 383 2HB LEU 53 HB3 LEU 53 47.030 -25.920 2.288 384 HG LEU 53 HG LEU 53 47.147 -24.175 0.776 385 1HD1 LEU 53 HD11 LEU 53 49.502 -23.074 2.316 386 2HD1 LEU 53 HD12 LEU 53 48.910 -22.409 0.780 387 3HD1 LEU 53 HD13 LEU 53 47.864 -22.370 2.224 388 1HD2 LEU 53 HD21 LEU 53 48.797 -25.984 0.199 389 2HD2 LEU 53 HD22 LEU 53 49.221 -24.404 -0.510 390 3HD2 LEU 53 HD23 LEU 53 50.093 -24.959 0.943 391 H ALA 54 H ALA 54 45.493 -25.839 4.602 392 HA ALA 54 HA ALA 54 43.598 -23.728 4.422 393 1HB ALA 54 HB1 ALA 54 42.275 -25.249 5.996 394 2HB ALA 54 HB2 ALA 54 42.899 -26.083 4.565 395 3HB ALA 54 HB3 ALA 54 43.714 -26.285 6.131 396 H ASN 55 H ASN 55 45.622 -24.868 7.114 397 HA ASN 55 HA ASN 55 44.643 -23.156 9.118 398 1HB ASN 55 HB2 ASN 55 45.952 -25.147 9.637 399 2HB ASN 55 HB3 ASN 55 47.308 -24.564 8.697 400 1HD2 ASN 55 HD22 ASN 55 48.935 -23.905 9.824 401 2HD2 ASN 55 HD21 ASN 55 48.807 -23.175 11.440 402 H TYR 56 H TYR 56 47.631 -22.895 7.188 403 HA TYR 56 HA TYR 56 48.260 -20.175 7.825 404 1HB TYR 56 HB2 TYR 56 49.898 -21.532 6.826 405 2HB TYR 56 HB3 TYR 56 48.858 -22.005 5.488 406 HD1 TYR 56 HD1 TYR 56 51.303 -19.625 6.780 407 HD2 TYR 56 HD2 TYR 56 48.594 -20.527 3.548 408 HE1 TYR 56 HE1 TYR 56 52.678 -18.237 5.246 409 HE2 TYR 56 HE2 TYR 56 49.972 -19.117 2.008 410 HH TYR 56 HH TYR 56 52.978 -17.502 3.092 411 H GLN 57 H GLN 57 46.073 -21.299 5.205 412 HA GLN 57 HA GLN 57 45.606 -18.593 4.340 413 1HB GLN 57 HB2 GLN 57 44.071 -21.165 3.914 414 2HB GLN 57 HB3 GLN 57 43.459 -19.621 3.327 415 1HG GLN 57 HG2 GLN 57 46.212 -20.713 2.605 416 2HG GLN 57 HG3 GLN 57 44.772 -20.902 1.613 417 1HE2 GLN 57 HE22 GLN 57 47.445 -18.811 2.283 418 2HE2 GLN 57 HE21 GLN 57 46.846 -17.444 1.361 419 H MET 58 H MET 58 43.909 -20.610 6.775 420 HA MET 58 HA MET 58 41.804 -18.750 7.344 421 1HB MET 58 HB2 MET 58 41.742 -21.135 7.950 422 2HB MET 58 HB3 MET 58 43.128 -20.919 9.021 423 1HG MET 58 HG2 MET 58 41.716 -19.338 10.407 424 2HG MET 58 HG3 MET 58 40.356 -19.731 9.355 425 1HE MET 58 HE1 MET 58 43.267 -21.997 11.013 426 2HE MET 58 HE2 MET 58 42.726 -20.820 12.233 427 3HE MET 58 HE3 MET 58 42.377 -22.549 12.445 428 H ILE 59 H ILE 59 44.996 -19.238 8.960 429 HA ILE 59 HA ILE 59 44.604 -17.097 10.837 430 HB ILE 59 HB ILE 59 47.045 -18.611 9.846 431 1HG1 ILE 59 HG12 ILE 59 45.496 -18.862 12.483 432 2HG1 ILE 59 HG13 ILE 59 45.278 -19.954 11.121 433 1HG2 ILE 59 HG21 ILE 59 46.874 -16.965 12.393 434 2HG2 ILE 59 HG22 ILE 59 48.293 -17.748 11.632 435 3HG2 ILE 59 HG23 ILE 59 47.563 -16.324 10.903 436 1HD1 ILE 59 HD11 ILE 59 47.607 -20.632 11.211 437 2HD1 ILE 59 HD12 ILE 59 47.912 -19.577 12.608 438 3HD1 ILE 59 HD13 ILE 59 46.788 -20.932 12.766 439 H MET 60 H MET 60 46.107 -17.312 7.583 440 HA MET 60 HA MET 60 47.032 -14.631 7.583 441 1HB MET 60 HB2 MET 60 47.718 -16.505 6.025 442 2HB MET 60 HB3 MET 60 46.269 -16.151 5.081 443 1HG MET 60 HG2 MET 60 47.113 -13.853 4.744 444 2HG MET 60 HG3 MET 60 48.395 -14.159 5.943 445 1HE MET 60 HE1 MET 60 49.878 -16.785 5.342 446 2HE MET 60 HE2 MET 60 51.131 -15.988 4.362 447 3HE MET 60 HE3 MET 60 50.421 -15.119 5.732 448 H SER 61 H SER 61 43.902 -16.004 6.616 449 HA SER 61 HA SER 61 42.695 -13.633 5.583 450 1HB SER 61 HB2 SER 61 41.732 -15.927 5.416 451 2HB SER 61 HB3 SER 61 41.398 -15.907 7.149 452 HG SER 61 HG SER 61 40.272 -14.287 5.095 453 H GLU 62 H GLU 62 42.762 -14.916 8.960 454 HA GLU 62 HA GLU 62 41.538 -12.607 10.137 455 1HB GLU 62 HB2 GLU 62 41.689 -14.853 11.198 456 2HB GLU 62 HB3 GLU 62 43.433 -14.653 11.395 457 1HG GLU 62 HG2 GLU 62 43.107 -12.778 12.916 458 2HG GLU 62 HG3 GLU 62 41.377 -12.727 12.565 459 H TYR 63 H TYR 63 44.971 -13.416 9.679 460 HA TYR 63 HA TYR 63 46.110 -11.171 10.960 461 1HB TYR 63 HB2 TYR 63 47.365 -13.151 10.303 462 2HB TYR 63 HB3 TYR 63 47.052 -12.856 8.606 463 HD1 TYR 63 HD1 TYR 63 48.423 -11.540 7.281 464 HD2 TYR 63 HD2 TYR 63 48.834 -11.432 11.575 465 HE1 TYR 63 HE1 TYR 63 50.567 -10.369 7.028 466 HE2 TYR 63 HE2 TYR 63 50.992 -10.238 11.339 467 HH TYR 63 HH TYR 63 52.398 -9.416 8.163 468 H ASN 64 H ASN 64 45.172 -11.561 7.556 469 HA ASN 64 HA ASN 64 46.100 -8.984 6.745 470 1HB ASN 64 HB2 ASN 64 45.769 -10.834 5.165 471 2HB ASN 64 HB3 ASN 64 44.038 -10.873 5.511 472 1HD2 ASN 64 HD22 ASN 64 46.629 -8.957 3.971 473 2HD2 ASN 64 HD21 ASN 64 45.523 -8.004 2.995 474 H LEU 65 H LEU 65 42.953 -10.202 7.896 475 HA LEU 65 HA LEU 65 41.451 -7.791 7.611 476 1HB LEU 65 HB2 LEU 65 40.450 -10.022 7.876 477 2HB LEU 65 HB3 LEU 65 41.095 -10.135 9.511 478 HG LEU 65 HG LEU 65 39.654 -8.252 10.232 479 1HD1 LEU 65 HD11 LEU 65 39.390 -6.988 8.148 480 2HD1 LEU 65 HD12 LEU 65 38.576 -8.371 7.378 481 3HD1 LEU 65 HD13 LEU 65 37.805 -7.504 8.725 482 1HD2 LEU 65 HD21 LEU 65 37.520 -9.467 10.095 483 2HD2 LEU 65 HD22 LEU 65 38.168 -10.482 8.785 484 3HD2 LEU 65 HD23 LEU 65 38.864 -10.573 10.418 485 H TYR 66 H TYR 66 43.435 -8.981 10.341 486 HA TYR 66 HA TYR 66 42.877 -6.780 12.110 487 1HB TYR 66 HB2 TYR 66 44.940 -8.935 11.934 488 2HB TYR 66 HB3 TYR 66 45.400 -7.498 12.818 489 HD1 TYR 66 HD1 TYR 66 45.008 -7.458 15.103 490 HD2 TYR 66 HD2 TYR 66 42.398 -9.794 12.583 491 HE1 TYR 66 HE1 TYR 66 43.794 -8.274 17.113 492 HE2 TYR 66 HE2 TYR 66 41.194 -10.620 14.596 493 HH TYR 66 HH TYR 66 42.097 -9.592 17.911 494 H ARG 67 H ARG 67 45.435 -7.199 9.675 495 HA ARG 67 HA ARG 67 46.662 -4.587 9.965 496 1HB ARG 67 HB2 ARG 67 46.637 -6.788 7.910 497 2HB ARG 67 HB3 ARG 67 47.075 -5.180 7.338 498 1HG ARG 67 HG2 ARG 67 49.061 -6.399 7.900 499 2HG ARG 67 HG3 ARG 67 48.881 -5.031 9.005 500 1HD ARG 67 HD2 ARG 67 48.104 -6.521 10.795 501 2HD ARG 67 HD3 ARG 67 48.029 -7.874 9.665 502 HE ARG 67 HE ARG 67 50.320 -8.128 9.672 503 1HH1 ARG 67 HH21 ARG 67 49.658 -5.270 11.618 504 2HH1 ARG 67 HH22 ARG 67 51.219 -5.392 12.418 505 1HH2 ARG 67 HH11 ARG 67 52.248 -8.132 10.647 506 2HH2 ARG 67 HH12 ARG 67 52.595 -6.973 11.933 507 H ASN 68 H ASN 68 44.003 -5.658 7.813 508 HA ASN 68 HA ASN 68 43.446 -3.075 6.693 509 1HB ASN 68 HB2 ASN 68 42.621 -5.218 5.750 510 2HB ASN 68 HB3 ASN 68 41.628 -5.473 7.184 511 1HD2 ASN 68 HD22 ASN 68 41.945 -3.595 4.202 512 2HD2 ASN 68 HD21 ASN 68 40.325 -2.921 4.289 513 H ALA 69 H ALA 69 42.074 -4.605 9.601 514 HA ALA 69 HA ALA 69 40.223 -2.587 10.043 515 1HB ALA 69 HB1 ALA 69 41.549 -4.435 12.084 516 2HB ALA 69 HB2 ALA 69 40.038 -3.540 12.345 517 3HB ALA 69 HB3 ALA 69 40.109 -4.805 11.107 518 H GLN 70 H GLN 70 43.606 -2.676 11.102 519 HA GLN 70 HA GLN 70 43.626 -0.491 12.874 520 1HB GLN 70 HB2 GLN 70 45.484 -2.077 12.510 521 2HB GLN 70 HB3 GLN 70 45.743 -1.423 10.893 522 1HG GLN 70 HG2 GLN 70 47.417 -0.591 12.437 523 2HG GLN 70 HG3 GLN 70 46.443 0.739 11.836 524 1HE2 GLN 70 HE22 GLN 70 44.854 1.736 13.340 525 2HE2 GLN 70 HE21 GLN 70 45.108 1.547 15.078 526 H SER 71 H SER 71 43.512 -0.428 9.328 527 HA SER 71 HA SER 71 43.685 2.552 9.271 528 1HB SER 71 HB2 SER 71 43.560 0.474 7.051 529 2HB SER 71 HB3 SER 71 43.681 2.231 6.812 530 HG SER 71 HG SER 71 45.739 1.187 6.754 531 H SER 72 H SER 72 41.389 -0.099 8.552 532 HA SER 72 HA SER 72 39.284 1.473 7.484 533 1HB SER 72 HB2 SER 72 39.519 -1.025 7.399 534 2HB SER 72 HB3 SER 72 39.013 -1.083 9.100 535 HG SER 72 HG SER 72 37.270 -1.373 7.596 536 H ALA 73 H ALA 73 40.030 0.696 10.923 537 HA ALA 73 HA ALA 73 37.717 1.906 12.062 538 1HB ALA 73 HB1 ALA 73 39.092 1.944 14.125 539 2HB ALA 73 HB2 ALA 73 39.226 0.390 13.281 540 3HB ALA 73 HB3 ALA 73 40.545 1.578 13.167 541 H VAL 74 H VAL 74 40.885 3.330 11.217 542 HA VAL 74 HA VAL 74 40.395 5.962 12.248 543 HB VAL 74 HB VAL 74 42.361 4.743 10.272 544 1HG1 VAL 74 HG11 VAL 74 42.158 7.031 9.587 545 2HG1 VAL 74 HG12 VAL 74 42.270 7.597 11.278 546 3HG1 VAL 74 HG13 VAL 74 43.668 6.829 10.479 547 1HG2 VAL 74 HG21 VAL 74 42.678 5.817 13.109 548 2HG2 VAL 74 HG22 VAL 74 42.626 4.101 12.652 549 3HG2 VAL 74 HG23 VAL 74 43.965 5.113 12.104 550 H LYS 75 H LYS 75 40.013 4.519 8.972 551 HA LYS 75 HA LYS 75 38.889 6.849 7.709 552 1HB LYS 75 HB2 LYS 75 39.684 4.958 6.420 553 2HB LYS 75 HB3 LYS 75 38.549 3.866 7.197 554 1HG LYS 75 HG2 LYS 75 37.909 4.442 4.902 555 2HG LYS 75 HG3 LYS 75 36.663 4.870 6.072 556 1HD LYS 75 HD2 LYS 75 37.096 7.217 5.844 557 2HD LYS 75 HD3 LYS 75 38.664 6.928 5.083 558 1HE LYS 75 HE2 LYS 75 37.044 7.702 3.432 559 2HE LYS 75 HE3 LYS 75 37.625 6.078 3.066 560 1HZ LYS 75 HZ1 LYS 75 35.250 6.208 2.753 561 2HZ LYS 75 HZ2 LYS 75 35.527 5.209 4.006 562 3HZ LYS 75 HZ3 LYS 75 34.961 6.729 4.259 563 H SER 76 H SER 76 37.237 4.103 9.335 564 HA SER 76 HA SER 76 34.603 5.028 8.991 565 1HB SER 76 HB2 SER 76 35.712 3.344 11.266 566 2HB SER 76 HB3 SER 76 33.996 3.561 10.880 567 HG SER 76 HG SER 76 36.015 2.328 9.312 568 H MET 77 H MET 77 36.838 5.817 11.703 569 HA MET 77 HA MET 77 35.024 7.266 13.308 570 1HB MET 77 HB2 MET 77 37.345 6.621 13.929 571 2HB MET 77 HB3 MET 77 37.979 7.846 12.818 572 1HG MET 77 HG2 MET 77 36.825 9.613 14.131 573 2HG MET 77 HG3 MET 77 36.189 8.378 15.225 574 1HE MET 77 HE1 MET 77 37.732 11.006 16.141 575 2HE MET 77 HE2 MET 77 37.100 9.790 17.276 576 3HE MET 77 HE3 MET 77 38.781 10.352 17.417 577 H LYS 78 H LYS 78 36.984 8.463 10.555 578 HA LYS 78 HA LYS 78 35.898 11.181 10.632 579 1HB LYS 78 HB2 LYS 78 37.464 9.659 8.501 580 2HB LYS 78 HB3 LYS 78 37.086 11.386 8.447 581 1HG LYS 78 HG2 LYS 78 38.334 11.763 10.541 582 2HG LYS 78 HG3 LYS 78 38.750 10.049 10.639 583 1HD LYS 78 HD2 LYS 78 39.550 11.884 8.339 584 2HD LYS 78 HD3 LYS 78 40.570 11.509 9.736 585 1HE LYS 78 HE2 LYS 78 40.494 9.097 9.172 586 2HE LYS 78 HE3 LYS 78 39.482 9.447 7.765 587 1HZ LYS 78 HZ1 LYS 78 42.245 10.476 8.155 588 2HZ LYS 78 HZ2 LYS 78 41.833 9.258 7.150 589 3HZ LYS 78 HZ3 LYS 78 41.306 10.772 6.851 590 H ASP 79 H ASP 79 35.192 8.253 8.761 591 HA ASP 79 HA ASP 79 33.400 9.384 6.890 592 1HB ASP 79 HB2 ASP 79 34.544 7.062 6.974 593 2HB ASP 79 HB3 ASP 79 33.183 6.554 7.971 594 H ILE 80 H ILE 80 32.653 7.818 10.056 595 HA ILE 80 HA ILE 80 29.822 8.382 9.980 596 HB ILE 80 HB ILE 80 31.735 7.787 12.261 597 1HG1 ILE 80 HG12 ILE 80 31.480 5.918 10.648 598 2HG1 ILE 80 HG13 ILE 80 30.840 5.527 12.229 599 1HG2 ILE 80 HG21 ILE 80 29.888 8.893 13.309 600 2HG2 ILE 80 HG22 ILE 80 28.703 7.967 12.368 601 3HG2 ILE 80 HG23 ILE 80 29.701 7.166 13.600 602 1HD1 ILE 80 HD11 ILE 80 28.522 5.861 11.378 603 2HD1 ILE 80 HD12 ILE 80 29.182 6.275 9.776 604 3HD1 ILE 80 HD13 ILE 80 29.414 4.654 10.444 605 H ASP 81 H ASP 81 32.592 10.253 11.219 606 HA ASP 81 HA ASP 81 31.024 12.278 12.483 607 1HB ASP 81 HB2 ASP 81 33.433 11.932 12.888 608 2HB ASP 81 HB3 ASP 81 33.798 12.487 11.254 609 H SER 82 H SER 82 32.013 11.873 9.118 610 HA SER 82 HA SER 82 30.910 14.454 8.227 611 1HB SER 82 HB2 SER 82 32.952 13.321 7.272 612 2HB SER 82 HB3 SER 82 31.880 12.091 6.576 613 HG SER 82 HG SER 82 32.368 13.823 5.114 614 H SER 83 H SER 83 29.948 11.040 8.114 615 HA SER 83 HA SER 83 27.238 11.682 7.035 616 1HB SER 83 HB2 SER 83 29.174 9.559 6.030 617 2HB SER 83 HB3 SER 83 27.472 9.705 5.553 618 HG SER 83 HG SER 83 28.900 10.725 4.061 619 H ILE 84 H ILE 84 26.893 11.472 9.404 620 HA ILE 84 HA ILE 84 27.250 9.175 10.918 621 HB ILE 84 HB ILE 84 26.732 11.383 11.739 622 1HG1 ILE 84 HG12 ILE 84 26.301 9.210 13.087 623 2HG1 ILE 84 HG13 ILE 84 25.876 10.789 13.713 624 1HG2 ILE 84 HG21 ILE 84 23.861 10.961 10.827 625 2HG2 ILE 84 HG22 ILE 84 24.443 12.277 11.867 626 3HG2 ILE 84 HG23 ILE 84 25.015 12.154 10.204 627 1HD1 ILE 84 HD11 ILE 84 23.831 8.900 12.476 628 2HD1 ILE 84 HD12 ILE 84 24.165 9.080 14.205 629 3HD1 ILE 84 HD13 ILE 84 23.515 10.444 13.290 630 H LEU 85 H LEU 85 24.785 9.625 8.499 631 HA LEU 85 HA LEU 85 23.748 6.889 8.984 632 1HB LEU 85 HB2 LEU 85 22.270 8.578 10.106 633 2HB LEU 85 HB3 LEU 85 22.054 9.388 8.557 634 HG LEU 85 HG LEU 85 20.891 7.375 7.668 635 1HD1 LEU 85 HD11 LEU 85 21.912 5.591 9.052 636 2HD1 LEU 85 HD12 LEU 85 21.197 6.306 10.513 637 3HD1 LEU 85 HD13 LEU 85 20.159 5.604 9.252 638 1HD2 LEU 85 HD21 LEU 85 18.851 7.620 9.016 639 2HD2 LEU 85 HD22 LEU 85 19.784 8.409 10.308 640 3HD2 LEU 85 HD23 LEU 85 19.615 9.189 8.718 641 H GLU 86 H GLU 86 22.808 5.913 7.122 642 HA GLU 86 HA GLU 86 23.334 7.135 4.457 643 1HB GLU 86 HB2 GLU 86 24.310 4.398 5.381 644 2HB GLU 86 HB3 GLU 86 24.350 4.988 3.718 645 1HG GLU 86 HG2 GLU 86 25.818 6.884 4.458 646 2HG GLU 86 HG3 GLU 86 25.907 6.143 6.061 647 H HIS 87 H HIS 87 22.493 5.515 2.715 648 HA HIS 87 HA HIS 87 19.698 5.329 2.898 649 1HB HIS 87 HB2 HIS 87 19.902 4.035 0.786 650 2HB HIS 87 HB3 HIS 87 20.816 5.533 0.804 651 HD1 HIS 87 HD1 HIS 87 22.337 2.353 2.371 652 HD2 HIS 87 HD2 HIS 87 22.525 4.746 -1.085 653 HE1 HIS 87 HE1 HIS 87 24.334 1.505 1.022 654 H HIS 88 H HIS 88 18.237 3.602 2.920 655 HA HIS 88 HA HIS 88 18.898 1.572 4.919 656 1HB HIS 88 HB2 HIS 88 16.487 1.347 5.116 657 2HB HIS 88 HB3 HIS 88 16.954 3.038 5.152 658 HD1 HIS 88 HD1 HIS 88 15.411 0.511 2.640 659 HD2 HIS 88 HD2 HIS 88 15.751 4.631 3.427 660 HE1 HIS 88 HE1 HIS 88 13.896 1.689 0.952 661 H HIS 89 H HIS 89 19.644 1.256 1.878 662 HA HIS 89 HA HIS 89 18.153 -0.825 0.719 663 1HB HIS 89 HB2 HIS 89 21.112 -0.177 0.434 664 2HB HIS 89 HB3 HIS 89 20.191 -1.205 -0.660 665 HD1 HIS 89 HD1 HIS 89 21.603 1.831 -1.184 666 HD2 HIS 89 HD2 HIS 89 17.564 0.650 -1.038 667 HE1 HIS 89 HE1 HIS 89 20.305 3.546 -2.553 668 H HIS 90 H HIS 90 18.435 -3.023 0.455 669 HA HIS 90 HA HIS 90 19.173 -4.576 2.757 670 1HB HIS 90 HB2 HIS 90 17.356 -5.091 1.113 671 2HB HIS 90 HB3 HIS 90 18.581 -5.445 -0.104 672 HD1 HIS 90 HD1 HIS 90 19.583 -7.907 -0.016 673 HD2 HIS 90 HD2 HIS 90 17.266 -6.783 3.315 674 HE1 HIS 90 HE1 HIS 90 19.299 -10.010 1.403 675 H HIS 91 H HIS 91 20.717 -6.347 2.811 676 HA HIS 91 HA HIS 91 23.017 -6.318 0.972 677 1HB HIS 91 HB2 HIS 91 23.604 -4.618 2.664 678 2HB HIS 91 HB3 HIS 91 23.263 -5.764 3.961 679 HD1 HIS 91 HD1 HIS 91 25.736 -5.530 0.945 680 HD2 HIS 91 HD2 HIS 91 25.310 -7.131 4.816 681 HE1 HIS 91 HE1 HIS 91 27.955 -6.655 1.500 682 H HIS 92 H HIS 92 24.168 -8.234 0.961 683 HA HIS 92 HA HIS 92 23.669 -10.423 2.818 684 1HB HIS 92 HB2 HIS 92 22.892 -11.987 1.037 685 2HB HIS 92 HB3 HIS 92 21.725 -10.752 1.478 686 HD1 HIS 92 HD1 HIS 92 24.508 -10.063 -1.064 687 HD2 HIS 92 HD2 HIS 92 20.381 -10.797 -0.826 688 HE1 HIS 92 HE1 HIS 92 23.557 -9.598 -3.415 Start of MODEL 9 1 1H MET 1 H1 MET 1 67.077 -10.968 39.891 2 2H MET 1 H2 MET 1 68.319 -11.334 38.881 3 3H MET 1 H3 MET 1 68.517 -11.442 40.501 4 HA MET 1 HA MET 1 69.608 -9.469 39.724 5 1HB MET 1 HB2 MET 1 66.841 -8.704 38.684 6 2HB MET 1 HB3 MET 1 68.211 -7.600 38.819 7 1HG MET 1 HG2 MET 1 68.055 -10.052 37.034 8 2HG MET 1 HG3 MET 1 68.004 -8.364 36.545 9 1HE MET 1 HE1 MET 1 69.850 -8.688 34.719 10 2HE MET 1 HE2 MET 1 71.397 -9.511 35.012 11 3HE MET 1 HE3 MET 1 69.874 -10.421 35.119 12 H SER 2 H SER 2 69.789 -7.664 41.060 13 HA SER 2 HA SER 2 67.896 -7.438 43.372 14 1HB SER 2 HB2 SER 2 70.921 -7.723 43.573 15 2HB SER 2 HB3 SER 2 69.788 -7.505 44.920 16 HG SER 2 HG SER 2 70.376 -9.701 44.635 17 H ASN 3 H ASN 3 68.323 -5.719 41.047 18 HA ASN 3 HA ASN 3 69.196 -3.172 42.283 19 1HB ASN 3 HB2 ASN 3 70.731 -2.776 40.355 20 2HB ASN 3 HB3 ASN 3 71.220 -4.170 41.301 21 1HD2 ASN 3 HD22 ASN 3 69.908 -3.118 38.157 22 2HD2 ASN 3 HD21 ASN 3 70.168 -4.684 37.400 23 HA PRO 4 HA PRO 4 66.030 -1.494 39.549 24 1HB PRO 4 HB2 PRO 4 66.880 1.074 39.133 25 2HB PRO 4 HB3 PRO 4 66.286 0.497 40.718 26 1HG PRO 4 HG2 PRO 4 69.157 0.749 39.777 27 2HG PRO 4 HG3 PRO 4 68.442 1.328 41.317 28 1HD PRO 4 HD2 PRO 4 69.783 -1.033 41.114 29 2HD PRO 4 HD3 PRO 4 68.398 -0.851 42.215 30 HA PRO 5 HA PRO 5 67.581 -1.851 35.339 31 1HB PRO 5 HB2 PRO 5 65.828 -0.357 33.868 32 2HB PRO 5 HB3 PRO 5 65.354 -1.886 34.675 33 1HG PRO 5 HG2 PRO 5 64.970 0.952 35.682 34 2HG PRO 5 HG3 PRO 5 63.754 -0.363 35.597 35 1HD PRO 5 HD2 PRO 5 65.116 0.204 37.885 36 2HD PRO 5 HD3 PRO 5 64.697 -1.478 37.449 37 H THR 6 H THR 6 68.441 -0.608 33.489 38 HA THR 6 HA THR 6 69.150 2.245 33.964 39 HB THR 6 HB THR 6 71.421 1.923 33.320 40 HG1 THR 6 HG1 THR 6 72.284 -0.217 33.265 41 1HG2 THR 6 HG21 THR 6 70.836 0.059 35.645 42 2HG2 THR 6 HG22 THR 6 72.353 0.920 35.305 43 3HG2 THR 6 HG23 THR 6 70.899 1.837 35.731 44 HA PRO 7 HA PRO 7 68.168 2.648 29.760 45 1HB PRO 7 HB2 PRO 7 69.113 5.129 29.230 46 2HB PRO 7 HB3 PRO 7 67.918 4.837 30.522 47 1HG PRO 7 HG2 PRO 7 70.919 5.144 30.807 48 2HG PRO 7 HG3 PRO 7 69.627 5.940 31.763 49 1HD PRO 7 HD2 PRO 7 71.020 3.644 32.448 50 2HD PRO 7 HD3 PRO 7 69.427 4.017 33.095 51 H LEU 8 H LEU 8 71.020 1.404 30.373 52 HA LEU 8 HA LEU 8 72.677 2.149 28.132 53 1HB LEU 8 HB2 LEU 8 73.311 1.333 30.515 54 2HB LEU 8 HB3 LEU 8 73.019 -0.284 29.925 55 HG LEU 8 HG LEU 8 75.379 0.308 29.957 56 1HD1 LEU 8 HD11 LEU 8 74.673 -1.239 28.165 57 2HD1 LEU 8 HD12 LEU 8 74.529 0.138 27.045 58 3HD1 LEU 8 HD13 LEU 8 76.105 -0.291 27.736 59 1HD2 LEU 8 HD21 LEU 8 75.128 2.760 29.604 60 2HD2 LEU 8 HD22 LEU 8 76.387 2.020 28.602 61 3HD2 LEU 8 HD23 LEU 8 74.833 2.459 27.876 62 H LEU 9 H LEU 9 70.776 1.819 26.696 63 HA LEU 9 HA LEU 9 70.919 -0.808 25.298 64 1HB LEU 9 HB2 LEU 9 68.983 -0.508 27.018 65 2HB LEU 9 HB3 LEU 9 68.331 0.678 25.898 66 HG LEU 9 HG LEU 9 68.131 -1.134 24.161 67 1HD1 LEU 9 HD11 LEU 9 68.326 -3.502 24.932 68 2HD1 LEU 9 HD12 LEU 9 69.892 -2.690 24.906 69 3HD1 LEU 9 HD13 LEU 9 69.054 -2.934 26.452 70 1HD2 LEU 9 HD21 LEU 9 66.255 -0.572 25.664 71 2HD2 LEU 9 HD22 LEU 9 66.262 -2.291 25.243 72 3HD2 LEU 9 HD23 LEU 9 66.834 -1.769 26.844 73 H ALA 10 H ALA 10 71.269 2.481 24.995 74 HA ALA 10 HA ALA 10 69.810 3.141 22.669 75 1HB ALA 10 HB1 ALA 10 71.228 5.157 22.678 76 2HB ALA 10 HB2 ALA 10 70.664 4.762 24.311 77 3HB ALA 10 HB3 ALA 10 72.337 4.385 23.831 78 H ASP 11 H ASP 11 72.584 1.165 22.825 79 HA ASP 11 HA ASP 11 74.126 1.966 20.621 80 1HB ASP 11 HB2 ASP 11 75.213 -0.174 20.821 81 2HB ASP 11 HB3 ASP 11 74.889 0.487 22.416 82 H TYR 12 H TYR 12 71.066 0.380 20.450 83 HA TYR 12 HA TYR 12 71.412 0.217 17.481 84 1HB TYR 12 HB2 TYR 12 69.910 -1.638 17.353 85 2HB TYR 12 HB3 TYR 12 71.258 -2.045 18.396 86 HD1 TYR 12 HD1 TYR 12 70.931 -2.478 20.784 87 HD2 TYR 12 HD2 TYR 12 67.622 -1.310 18.271 88 HE1 TYR 12 HE1 TYR 12 69.330 -3.207 22.545 89 HE2 TYR 12 HE2 TYR 12 66.025 -2.024 20.042 90 HH TYR 12 HH TYR 12 65.777 -2.958 22.116 91 H GLU 13 H GLU 13 69.448 1.415 20.137 92 HA GLU 13 HA GLU 13 67.151 2.207 18.628 93 1HB GLU 13 HB2 GLU 13 68.420 3.557 21.038 94 2HB GLU 13 HB3 GLU 13 66.815 3.899 20.396 95 1HG GLU 13 HG2 GLU 13 66.179 1.500 20.785 96 2HG GLU 13 HG3 GLU 13 67.730 1.250 21.588 97 H TRP 14 H TRP 14 70.330 3.735 19.010 98 HA TRP 14 HA TRP 14 69.832 6.196 17.694 99 1HB TRP 14 HB2 TRP 14 71.853 5.487 19.026 100 2HB TRP 14 HB3 TRP 14 72.386 4.556 17.633 101 HD1 TRP 14 HD1 TRP 14 71.772 8.164 18.789 102 HE1 TRP 14 HE1 TRP 14 73.195 9.787 17.399 103 HE3 TRP 14 HE3 TRP 14 73.671 4.854 15.363 104 HZ2 TRP 14 HZ2 TRP 14 74.929 9.670 15.097 105 HZ3 TRP 14 HZ3 TRP 14 75.208 5.644 13.577 106 HH2 TRP 14 HH2 TRP 14 75.842 8.043 13.433 107 H SER 15 H SER 15 69.881 3.044 16.310 108 HA SER 15 HA SER 15 69.823 4.137 13.524 109 1HB SER 15 HB2 SER 15 70.958 1.470 14.450 110 2HB SER 15 HB3 SER 15 70.875 2.053 12.777 111 HG SER 15 HG SER 15 72.935 2.411 13.678 112 H GLY 16 H GLY 16 67.667 3.384 15.626 113 1HA GLY 16 HA2 GLY 16 65.950 1.716 13.817 114 2HA GLY 16 HA3 GLY 16 66.310 1.152 15.460 115 H TYR 17 H TYR 17 66.062 3.676 16.837 116 HA TYR 17 HA TYR 17 63.257 3.695 17.292 117 1HB TYR 17 HB2 TYR 17 64.936 4.337 18.965 118 2HB TYR 17 HB3 TYR 17 65.328 5.786 18.040 119 HD1 TYR 17 HD1 TYR 17 62.479 4.032 19.763 120 HD2 TYR 17 HD2 TYR 17 64.113 7.799 18.427 121 HE1 TYR 17 HE1 TYR 17 60.619 5.248 20.897 122 HE2 TYR 17 HE2 TYR 17 62.264 9.007 19.572 123 HH TYR 17 HH TYR 17 60.369 8.823 20.850 124 H LEU 18 H LEU 18 65.176 5.695 15.112 125 HA LEU 18 HA LEU 18 63.207 7.602 14.390 126 1HB LEU 18 HB2 LEU 18 64.538 8.155 12.583 127 2HB LEU 18 HB3 LEU 18 65.661 7.660 13.833 128 HG LEU 18 HG LEU 18 64.836 6.027 11.378 129 1HD1 LEU 18 HD11 LEU 18 67.456 7.408 12.093 130 2HD1 LEU 18 HD12 LEU 18 67.136 6.446 10.631 131 3HD1 LEU 18 HD13 LEU 18 66.276 7.972 10.888 132 1HD2 LEU 18 HD21 LEU 18 65.412 4.453 13.132 133 2HD2 LEU 18 HD22 LEU 18 66.748 4.539 11.996 134 3HD2 LEU 18 HD23 LEU 18 66.877 5.389 13.553 135 H THR 19 H THR 19 63.159 4.245 13.779 136 HA THR 19 HA THR 19 60.800 4.546 11.952 137 HB THR 19 HB THR 19 62.681 2.172 12.272 138 HG1 THR 19 HG1 THR 19 63.252 2.700 10.161 139 1HG2 THR 19 HG21 THR 19 60.436 1.366 11.724 140 2HG2 THR 19 HG22 THR 19 60.230 2.628 10.494 141 3HG2 THR 19 HG23 THR 19 61.412 1.316 10.250 142 H GLY 20 H GLY 20 62.102 2.926 14.831 143 1HA GLY 20 HA2 GLY 20 59.978 1.420 15.790 144 2HA GLY 20 HA3 GLY 20 61.102 2.336 16.798 145 H ILE 21 H ILE 21 60.388 4.977 16.176 146 HA ILE 21 HA ILE 21 58.090 5.451 17.736 147 HB ILE 21 HB ILE 21 60.023 6.977 17.274 148 1HG1 ILE 21 HG12 ILE 21 57.339 8.336 16.831 149 2HG1 ILE 21 HG13 ILE 21 57.912 7.715 18.384 150 1HG2 ILE 21 HG21 ILE 21 60.034 6.718 14.767 151 2HG2 ILE 21 HG22 ILE 21 58.571 7.722 14.693 152 3HG2 ILE 21 HG23 ILE 21 60.094 8.391 15.306 153 1HD1 ILE 21 HD11 ILE 21 58.329 10.091 18.287 154 2HD1 ILE 21 HD12 ILE 21 59.889 9.247 18.232 155 3HD1 ILE 21 HD13 ILE 21 59.194 9.944 16.750 156 H GLY 22 H GLY 22 58.140 4.491 14.440 157 1HA GLY 22 HA2 GLY 22 55.186 4.890 14.223 158 2HA GLY 22 HA3 GLY 22 56.283 5.087 12.832 159 H ARG 23 H ARG 23 56.807 2.666 15.237 160 HA ARG 23 HA ARG 23 55.506 0.440 13.726 161 1HB ARG 23 HB2 ARG 23 57.805 0.793 12.792 162 2HB ARG 23 HB3 ARG 23 58.482 0.469 14.387 163 1HG ARG 23 HG2 ARG 23 57.574 -1.822 14.340 164 2HG ARG 23 HG3 ARG 23 56.784 -1.509 12.788 165 1HD ARG 23 HD2 ARG 23 59.792 -1.361 13.269 166 2HD ARG 23 HD3 ARG 23 58.941 -2.808 12.704 167 HE ARG 23 HE ARG 23 58.283 -0.605 10.995 168 1HH1 ARG 23 HH21 ARG 23 60.964 -2.776 11.612 169 2HH1 ARG 23 HH22 ARG 23 61.567 -2.645 9.983 170 1HH2 ARG 23 HH11 ARG 23 59.114 -0.473 8.933 171 2HH2 ARG 23 HH12 ARG 23 60.544 -1.370 8.514 172 H ALA 24 H ALA 24 56.780 1.650 16.764 173 HA ALA 24 HA ALA 24 56.772 -0.607 18.370 174 1HB ALA 24 HB1 ALA 24 56.409 1.023 20.216 175 2HB ALA 24 HB2 ALA 24 57.574 1.640 19.031 176 3HB ALA 24 HB3 ALA 24 55.912 2.252 19.028 177 H PHE 25 H PHE 25 53.859 0.859 17.097 178 HA PHE 25 HA PHE 25 52.123 -0.409 18.966 179 1HB PHE 25 HB2 PHE 25 50.342 0.188 17.435 180 2HB PHE 25 HB3 PHE 25 51.493 1.515 17.499 181 HD1 PHE 25 HD1 PHE 25 52.775 2.180 15.525 182 HD2 PHE 25 HD2 PHE 25 50.174 -1.262 15.412 183 HE1 PHE 25 HE1 PHE 25 52.969 2.106 13.050 184 HE2 PHE 25 HE2 PHE 25 50.380 -1.334 12.938 185 HZ PHE 25 HZ PHE 25 51.782 0.349 11.756 186 H ASP 26 H ASP 26 53.843 -1.692 16.221 187 HA ASP 26 HA ASP 26 52.282 -4.004 15.618 188 1HB ASP 26 HB2 ASP 26 54.098 -3.022 14.211 189 2HB ASP 26 HB3 ASP 26 55.279 -3.529 15.419 190 H ASP 27 H ASP 27 54.364 -3.321 18.361 191 HA ASP 27 HA ASP 27 55.030 -5.960 19.197 192 1HB ASP 27 HB2 ASP 27 55.977 -3.804 20.057 193 2HB ASP 27 HB3 ASP 27 54.449 -3.500 20.887 194 H GLY 28 H GLY 28 51.958 -4.268 19.326 195 1HA GLY 28 HA2 GLY 28 50.669 -6.208 21.147 196 2HA GLY 28 HA3 GLY 28 49.914 -4.840 20.321 197 H VAL 29 H VAL 29 51.578 -6.386 17.925 198 HA VAL 29 HA VAL 29 49.381 -8.297 17.270 199 HB VAL 29 HB VAL 29 50.678 -6.868 14.996 200 1HG1 VAL 29 HG11 VAL 29 48.967 -8.688 14.746 201 2HG1 VAL 29 HG12 VAL 29 47.811 -7.703 15.644 202 3HG1 VAL 29 HG13 VAL 29 48.418 -7.155 14.060 203 1HG2 VAL 29 HG21 VAL 29 48.503 -5.509 16.639 204 2HG2 VAL 29 HG22 VAL 29 50.167 -4.916 16.414 205 3HG2 VAL 29 HG23 VAL 29 49.084 -5.014 15.031 206 H LYS 30 H LYS 30 52.799 -7.894 17.512 207 HA LYS 30 HA LYS 30 53.756 -9.959 15.854 208 1HB LYS 30 HB2 LYS 30 54.591 -9.039 18.626 209 2HB LYS 30 HB3 LYS 30 55.388 -10.399 17.822 210 1HG LYS 30 HG2 LYS 30 55.918 -8.986 15.869 211 2HG LYS 30 HG3 LYS 30 55.175 -7.591 16.675 212 1HD LYS 30 HD2 LYS 30 56.845 -7.668 18.465 213 2HD LYS 30 HD3 LYS 30 57.486 -9.194 17.847 214 1HE LYS 30 HE2 LYS 30 58.988 -7.428 17.210 215 2HE LYS 30 HE3 LYS 30 58.221 -8.097 15.767 216 1HZ LYS 30 HZ1 LYS 30 57.374 -5.580 17.100 217 2HZ LYS 30 HZ2 LYS 30 58.284 -5.661 15.746 218 3HZ LYS 30 HZ3 LYS 30 56.741 -6.183 15.702 219 H ASP 31 H ASP 31 51.771 -10.292 18.711 220 HA ASP 31 HA ASP 31 51.921 -13.067 19.175 221 1HB ASP 31 HB2 ASP 31 50.736 -11.406 20.597 222 2HB ASP 31 HB3 ASP 31 49.556 -11.146 19.299 223 H LEU 32 H LEU 32 49.971 -11.333 16.770 224 HA LEU 32 HA LEU 32 48.629 -13.742 15.748 225 1HB LEU 32 HB2 LEU 32 47.961 -11.122 15.837 226 2HB LEU 32 HB3 LEU 32 48.830 -11.070 14.323 227 HG LEU 32 HG LEU 32 46.313 -12.655 14.985 228 1HD1 LEU 32 HD11 LEU 32 45.334 -11.195 13.226 229 2HD1 LEU 32 HD12 LEU 32 46.009 -10.250 14.560 230 3HD1 LEU 32 HD13 LEU 32 46.900 -10.378 13.033 231 1HD2 LEU 32 HD21 LEU 32 47.987 -12.722 12.453 232 2HD2 LEU 32 HD22 LEU 32 47.514 -14.092 13.480 233 3HD2 LEU 32 HD23 LEU 32 46.289 -13.256 12.531 234 H ASN 33 H ASN 33 51.345 -11.641 14.865 235 HA ASN 33 HA ASN 33 51.938 -12.934 12.350 236 1HB ASN 33 HB2 ASN 33 52.785 -10.673 13.019 237 2HB ASN 33 HB3 ASN 33 53.854 -11.455 14.196 238 1HD2 ASN 33 HD22 ASN 33 53.151 -11.187 10.689 239 2HD2 ASN 33 HD21 ASN 33 54.761 -11.692 10.206 240 H LYS 34 H LYS 34 53.022 -13.608 15.655 241 HA LYS 34 HA LYS 34 54.744 -15.841 15.107 242 1HB LYS 34 HB2 LYS 34 54.942 -14.744 17.154 243 2HB LYS 34 HB3 LYS 34 53.233 -14.772 17.485 244 1HG LYS 34 HG2 LYS 34 54.706 -17.411 17.378 245 2HG LYS 34 HG3 LYS 34 54.999 -16.342 18.738 246 1HD LYS 34 HD2 LYS 34 52.259 -17.423 17.963 247 2HD LYS 34 HD3 LYS 34 53.283 -17.999 19.283 248 1HE LYS 34 HE2 LYS 34 53.191 -15.721 20.331 249 2HE LYS 34 HE3 LYS 34 52.124 -15.191 19.031 250 1HZ LYS 34 HZ1 LYS 34 50.565 -16.988 19.776 251 2HZ LYS 34 HZ2 LYS 34 51.479 -17.159 21.126 252 3HZ LYS 34 HZ3 LYS 34 50.743 -15.721 20.787 253 H GLN 35 H GLN 35 51.240 -15.691 15.668 254 HA GLN 35 HA GLN 35 50.767 -18.540 15.457 255 1HB GLN 35 HB2 GLN 35 48.962 -16.158 14.860 256 2HB GLN 35 HB3 GLN 35 48.426 -17.833 14.791 257 1HG GLN 35 HG2 GLN 35 48.778 -18.167 17.112 258 2HG GLN 35 HG3 GLN 35 49.711 -16.698 17.299 259 1HE2 GLN 35 HE22 GLN 35 48.630 -14.831 17.860 260 2HE2 GLN 35 HE21 GLN 35 46.875 -14.729 17.991 261 H LEU 36 H LEU 36 50.920 -15.967 13.004 262 HA LEU 36 HA LEU 36 50.275 -17.703 10.788 263 1HB LEU 36 HB2 LEU 36 49.872 -15.276 10.930 264 2HB LEU 36 HB3 LEU 36 51.610 -15.011 10.755 265 HG LEU 36 HG LEU 36 51.606 -16.057 8.559 266 1HD1 LEU 36 HD11 LEU 36 49.926 -17.796 8.606 267 2HD1 LEU 36 HD12 LEU 36 48.652 -16.610 8.944 268 3HD1 LEU 36 HD13 LEU 36 49.468 -16.587 7.389 269 1HD2 LEU 36 HD21 LEU 36 49.199 -14.248 8.899 270 2HD2 LEU 36 HD22 LEU 36 50.871 -13.646 8.936 271 3HD2 LEU 36 HD23 LEU 36 50.209 -14.339 7.452 272 H GLN 37 H GLN 37 53.425 -16.587 12.108 273 HA GLN 37 HA GLN 37 54.991 -18.057 10.170 274 1HB GLN 37 HB2 GLN 37 55.627 -17.087 12.997 275 2HB GLN 37 HB3 GLN 37 56.782 -17.943 11.972 276 1HG GLN 37 HG2 GLN 37 56.499 -16.145 10.222 277 2HG GLN 37 HG3 GLN 37 55.516 -15.241 11.370 278 1HE2 GLN 37 HE22 GLN 37 56.780 -13.573 12.295 279 2HE2 GLN 37 HE21 GLN 37 58.473 -13.790 12.721 280 H ASP 38 H ASP 38 53.503 -19.025 13.272 281 HA ASP 38 HA ASP 38 54.592 -21.697 13.245 282 1HB ASP 38 HB2 ASP 38 53.588 -20.670 15.248 283 2HB ASP 38 HB3 ASP 38 52.004 -20.686 14.476 284 H ALA 39 H ALA 39 51.651 -20.299 11.755 285 HA ALA 39 HA ALA 39 50.768 -22.735 10.553 286 1HB ALA 39 HB1 ALA 39 49.673 -20.220 10.532 287 2HB ALA 39 HB2 ALA 39 50.438 -20.212 8.942 288 3HB ALA 39 HB3 ALA 39 49.283 -21.502 9.318 289 H GLN 40 H GLN 40 52.982 -20.246 9.392 290 HA GLN 40 HA GLN 40 53.589 -21.444 6.868 291 1HB GLN 40 HB2 GLN 40 53.911 -18.988 7.756 292 2HB GLN 40 HB3 GLN 40 55.385 -19.589 8.504 293 1HG GLN 40 HG2 GLN 40 56.297 -20.218 6.297 294 2HG GLN 40 HG3 GLN 40 54.778 -19.757 5.526 295 1HE2 GLN 40 HE22 GLN 40 56.104 -18.269 4.178 296 2HE2 GLN 40 HE21 GLN 40 56.591 -16.730 4.873 297 H ALA 41 H ALA 41 54.982 -22.027 10.079 298 HA ALA 41 HA ALA 41 57.086 -23.757 8.962 299 1HB ALA 41 HB1 ALA 41 56.201 -23.454 11.836 300 2HB ALA 41 HB2 ALA 41 57.671 -24.259 11.207 301 3HB ALA 41 HB3 ALA 41 57.477 -22.508 11.010 302 H ASN 42 H ASN 42 53.813 -24.390 10.308 303 HA ASN 42 HA ASN 42 54.129 -27.297 9.986 304 1HB ASN 42 HB2 ASN 42 51.596 -25.533 10.144 305 2HB ASN 42 HB3 ASN 42 51.610 -27.248 9.914 306 1HD2 ASN 42 HD22 ASN 42 52.547 -24.740 12.295 307 2HD2 ASN 42 HD21 ASN 42 52.477 -25.858 13.644 308 H LEU 43 H LEU 43 53.242 -24.546 7.893 309 HA LEU 43 HA LEU 43 52.925 -26.193 5.591 310 1HB LEU 43 HB2 LEU 43 52.173 -23.643 6.139 311 2HB LEU 43 HB3 LEU 43 53.735 -23.286 5.423 312 HG LEU 43 HG LEU 43 53.137 -24.641 3.466 313 1HD1 LEU 43 HD11 LEU 43 50.555 -24.661 5.070 314 2HD1 LEU 43 HD12 LEU 43 50.538 -24.923 3.283 315 3HD1 LEU 43 HD13 LEU 43 51.369 -26.067 4.300 316 1HD2 LEU 43 HD21 LEU 43 51.154 -22.417 4.001 317 2HD2 LEU 43 HD22 LEU 43 52.820 -22.206 3.372 318 3HD2 LEU 43 HD23 LEU 43 51.617 -23.106 2.420 319 H THR 44 H THR 44 55.781 -24.507 6.938 320 HA THR 44 HA THR 44 57.482 -25.179 4.781 321 HB THR 44 HB THR 44 58.185 -24.898 7.717 322 HG1 THR 44 HG1 THR 44 57.399 -23.037 6.579 323 1HG2 THR 44 HG21 THR 44 59.932 -26.175 6.747 324 2HG2 THR 44 HG22 THR 44 59.935 -25.166 5.274 325 3HG2 THR 44 HG23 THR 44 60.488 -24.490 6.849 326 H LYS 45 H LYS 45 56.482 -27.031 7.571 327 HA LYS 45 HA LYS 45 58.046 -29.371 7.225 328 1HB LYS 45 HB2 LYS 45 56.977 -28.866 9.290 329 2HB LYS 45 HB3 LYS 45 55.408 -28.656 8.574 330 1HG LYS 45 HG2 LYS 45 56.714 -31.370 8.722 331 2HG LYS 45 HG3 LYS 45 55.841 -30.630 10.074 332 1HD LYS 45 HD2 LYS 45 54.468 -31.088 7.401 333 2HD LYS 45 HD3 LYS 45 54.545 -32.301 8.681 334 1HE LYS 45 HE2 LYS 45 53.579 -30.589 10.272 335 2HE LYS 45 HE3 LYS 45 53.300 -29.526 8.889 336 1HZ LYS 45 HZ1 LYS 45 51.749 -31.146 7.981 337 2HZ LYS 45 HZ2 LYS 45 52.165 -32.267 9.104 338 3HZ LYS 45 HZ3 LYS 45 51.357 -30.922 9.533 339 H ASN 46 H ASN 46 54.991 -28.465 5.693 340 HA ASN 46 HA ASN 46 55.647 -30.165 3.471 341 1HB ASN 46 HB2 ASN 46 54.460 -31.698 4.983 342 2HB ASN 46 HB3 ASN 46 53.124 -30.559 5.028 343 1HD2 ASN 46 HD22 ASN 46 52.953 -33.347 4.185 344 2HD2 ASN 46 HD21 ASN 46 52.628 -33.379 2.459 345 HA PRO 47 HA PRO 47 54.505 -25.933 2.377 346 1HB PRO 47 HB2 PRO 47 55.319 -27.090 -0.256 347 2HB PRO 47 HB3 PRO 47 55.563 -25.423 0.412 348 1HG PRO 47 HG2 PRO 47 57.538 -27.320 0.562 349 2HG PRO 47 HG3 PRO 47 57.229 -26.171 1.903 350 1HD PRO 47 HD2 PRO 47 56.634 -29.079 1.809 351 2HD PRO 47 HD3 PRO 47 56.819 -27.992 3.182 352 H SER 48 H SER 48 52.996 -28.681 0.534 353 HA SER 48 HA SER 48 50.587 -27.050 0.665 354 1HB SER 48 HB2 SER 48 50.002 -27.827 -1.493 355 2HB SER 48 HB3 SER 48 51.642 -27.154 -1.513 356 HG SER 48 HG SER 48 51.485 -29.167 -2.684 357 H ASP 49 H ASP 49 51.379 -28.847 2.657 358 HA ASP 49 HA ASP 49 49.521 -31.089 2.743 359 1HB ASP 49 HB2 ASP 49 51.120 -31.210 4.327 360 2HB ASP 49 HB3 ASP 49 51.167 -29.517 4.712 361 HA PRO 50 HA PRO 50 46.222 -28.275 2.240 362 1HB PRO 50 HB2 PRO 50 44.063 -29.885 2.626 363 2HB PRO 50 HB3 PRO 50 45.118 -29.860 1.150 364 1HG PRO 50 HG2 PRO 50 45.143 -31.773 3.524 365 2HG PRO 50 HG3 PRO 50 45.288 -32.183 1.782 366 1HD PRO 50 HD2 PRO 50 47.467 -31.914 3.483 367 2HD PRO 50 HD3 PRO 50 47.547 -31.518 1.733 368 H THR 51 H THR 51 46.382 -30.056 5.304 369 HA THR 51 HA THR 51 44.492 -28.215 6.707 370 HB THR 51 HB THR 51 46.399 -30.374 7.510 371 HG1 THR 51 HG1 THR 51 44.506 -31.394 8.167 372 1HG2 THR 51 HG21 THR 51 45.492 -30.123 9.846 373 2HG2 THR 51 HG22 THR 51 46.578 -28.822 9.331 374 3HG2 THR 51 HG23 THR 51 44.812 -28.556 9.321 375 H ALA 52 H ALA 52 48.063 -28.674 6.388 376 HA ALA 52 HA ALA 52 48.768 -26.340 7.968 377 1HB ALA 52 HB1 ALA 52 50.110 -27.649 5.527 378 2HB ALA 52 HB2 ALA 52 50.888 -26.544 6.671 379 3HB ALA 52 HB3 ALA 52 50.373 -28.168 7.193 380 H LEU 53 H LEU 53 47.957 -26.653 4.560 381 HA LEU 53 HA LEU 53 48.380 -23.862 4.089 382 1HB LEU 53 HB2 LEU 53 48.687 -25.869 2.612 383 2HB LEU 53 HB3 LEU 53 46.951 -25.933 2.361 384 HG LEU 53 HG LEU 53 47.023 -24.195 0.838 385 1HD1 LEU 53 HD11 LEU 53 49.414 -23.079 2.312 386 2HD1 LEU 53 HD12 LEU 53 48.783 -22.423 0.788 387 3HD1 LEU 53 HD13 LEU 53 47.774 -22.379 2.259 388 1HD2 LEU 53 HD21 LEU 53 49.071 -24.421 -0.493 389 2HD2 LEU 53 HD22 LEU 53 49.974 -24.969 0.942 390 3HD2 LEU 53 HD23 LEU 53 48.665 -25.999 0.230 391 H ALA 54 H ALA 54 45.454 -25.842 4.700 392 HA ALA 54 HA ALA 54 43.535 -23.757 4.518 393 1HB ALA 54 HB1 ALA 54 42.857 -26.112 4.726 394 2HB ALA 54 HB2 ALA 54 43.723 -26.285 6.267 395 3HB ALA 54 HB3 ALA 54 42.269 -25.266 6.165 396 H ASN 55 H ASN 55 45.608 -24.843 7.189 397 HA ASN 55 HA ASN 55 44.651 -23.106 9.187 398 1HB ASN 55 HB2 ASN 55 45.948 -25.113 9.678 399 2HB ASN 55 HB3 ASN 55 47.299 -24.538 8.725 400 1HD2 ASN 55 HD22 ASN 55 48.941 -23.888 9.827 401 2HD2 ASN 55 HD21 ASN 55 48.852 -23.224 11.470 402 H TYR 56 H TYR 56 47.606 -22.887 7.196 403 HA TYR 56 HA TYR 56 48.287 -20.171 7.755 404 1HB TYR 56 HB2 TYR 56 49.825 -21.623 6.677 405 2HB TYR 56 HB3 TYR 56 48.705 -22.005 5.377 406 HD1 TYR 56 HD1 TYR 56 48.329 -20.350 3.539 407 HD2 TYR 56 HD2 TYR 56 51.384 -19.874 6.551 408 HE1 TYR 56 HE1 TYR 56 49.687 -18.990 1.954 409 HE2 TYR 56 HE2 TYR 56 52.739 -18.531 4.969 410 HH TYR 56 HH TYR 56 52.929 -17.731 2.816 411 H GLN 57 H GLN 57 45.998 -21.300 5.222 412 HA GLN 57 HA GLN 57 45.510 -18.612 4.322 413 1HB GLN 57 HB2 GLN 57 43.916 -21.182 4.075 414 2HB GLN 57 HB3 GLN 57 43.291 -19.662 3.453 415 1HG GLN 57 HG2 GLN 57 45.989 -20.811 2.625 416 2HG GLN 57 HG3 GLN 57 44.488 -21.104 1.757 417 1HE2 GLN 57 HE22 GLN 57 46.543 -20.011 0.329 418 2HE2 GLN 57 HE21 GLN 57 46.204 -18.314 0.018 419 H MET 58 H MET 58 43.890 -20.560 6.861 420 HA MET 58 HA MET 58 41.839 -18.656 7.473 421 1HB MET 58 HB2 MET 58 41.736 -21.003 8.102 422 2HB MET 58 HB3 MET 58 43.168 -20.828 9.126 423 1HG MET 58 HG2 MET 58 41.873 -19.227 10.572 424 2HG MET 58 HG3 MET 58 40.468 -19.510 9.541 425 1HE MET 58 HE1 MET 58 43.272 -21.874 11.159 426 2HE MET 58 HE2 MET 58 42.717 -20.788 12.453 427 3HE MET 58 HE3 MET 58 42.347 -22.523 12.528 428 H ILE 59 H ILE 59 45.070 -19.187 8.997 429 HA ILE 59 HA ILE 59 44.761 -17.027 10.866 430 HB ILE 59 HB ILE 59 47.158 -18.591 9.843 431 1HG1 ILE 59 HG12 ILE 59 45.659 -18.854 12.507 432 2HG1 ILE 59 HG13 ILE 59 45.358 -19.908 11.130 433 1HG2 ILE 59 HG21 ILE 59 47.750 -16.346 10.893 434 2HG2 ILE 59 HG22 ILE 59 46.991 -16.923 12.380 435 3HG2 ILE 59 HG23 ILE 59 48.402 -17.771 11.681 436 1HD1 ILE 59 HD11 ILE 59 48.056 -19.656 12.510 437 2HD1 ILE 59 HD12 ILE 59 46.890 -20.968 12.696 438 3HD1 ILE 59 HD13 ILE 59 47.654 -20.668 11.113 439 H MET 60 H MET 60 46.154 -17.294 7.572 440 HA MET 60 HA MET 60 47.160 -14.624 7.549 441 1HB MET 60 HB2 MET 60 47.796 -16.526 6.006 442 2HB MET 60 HB3 MET 60 46.336 -16.159 5.075 443 1HG MET 60 HG2 MET 60 47.205 -13.868 4.721 444 2HG MET 60 HG3 MET 60 48.517 -14.201 5.880 445 1HE MET 60 HE1 MET 60 49.883 -16.900 5.206 446 2HE MET 60 HE2 MET 60 51.146 -16.118 4.222 447 3HE MET 60 HE3 MET 60 50.481 -15.267 5.626 448 H SER 61 H SER 61 43.997 -15.986 6.700 449 HA SER 61 HA SER 61 42.777 -13.585 5.711 450 1HB SER 61 HB2 SER 61 41.564 -15.960 7.198 451 2HB SER 61 HB3 SER 61 40.634 -14.628 6.489 452 HG SER 61 HG SER 61 42.341 -16.478 5.174 453 H GLU 62 H GLU 62 43.009 -14.880 9.086 454 HA GLU 62 HA GLU 62 41.835 -12.556 10.307 455 1HB GLU 62 HB2 GLU 62 43.708 -14.708 11.393 456 2HB GLU 62 HB3 GLU 62 43.023 -13.415 12.384 457 1HG GLU 62 HG2 GLU 62 40.725 -14.151 11.724 458 2HG GLU 62 HG3 GLU 62 41.429 -15.516 10.859 459 H TYR 63 H TYR 63 45.247 -13.346 9.692 460 HA TYR 63 HA TYR 63 46.432 -11.066 10.891 461 1HB TYR 63 HB2 TYR 63 47.751 -12.971 10.218 462 2HB TYR 63 HB3 TYR 63 47.250 -12.832 8.549 463 HD1 TYR 63 HD1 TYR 63 48.529 -11.757 6.984 464 HD2 TYR 63 HD2 TYR 63 49.123 -10.879 11.172 465 HE1 TYR 63 HE1 TYR 63 50.547 -10.443 6.414 466 HE2 TYR 63 HE2 TYR 63 51.127 -9.517 10.596 467 HH TYR 63 HH TYR 63 52.530 -8.802 8.927 468 H ASN 64 H ASN 64 45.333 -11.539 7.545 469 HA ASN 64 HA ASN 64 46.163 -8.938 6.694 470 1HB ASN 64 HB2 ASN 64 45.926 -10.864 5.157 471 2HB ASN 64 HB3 ASN 64 44.182 -10.884 5.427 472 1HD2 ASN 64 HD22 ASN 64 43.031 -9.837 3.819 473 2HD2 ASN 64 HD21 ASN 64 43.676 -8.517 2.857 474 H LEU 65 H LEU 65 43.043 -10.299 7.761 475 HA LEU 65 HA LEU 65 41.413 -8.001 7.362 476 1HB LEU 65 HB2 LEU 65 40.510 -10.243 7.716 477 2HB LEU 65 HB3 LEU 65 41.189 -10.292 9.345 478 HG LEU 65 HG LEU 65 39.657 -8.494 10.065 479 1HD1 LEU 65 HD11 LEU 65 37.767 -7.827 8.587 480 2HD1 LEU 65 HD12 LEU 65 39.318 -7.261 7.965 481 3HD1 LEU 65 HD13 LEU 65 38.536 -8.682 7.230 482 1HD2 LEU 65 HD21 LEU 65 38.253 -10.789 8.633 483 2HD2 LEU 65 HD22 LEU 65 38.986 -10.861 10.252 484 3HD2 LEU 65 HD23 LEU 65 37.588 -9.813 9.964 485 H TYR 66 H TYR 66 43.295 -9.005 10.251 486 HA TYR 66 HA TYR 66 42.558 -6.761 11.858 487 1HB TYR 66 HB2 TYR 66 43.697 -8.774 12.752 488 2HB TYR 66 HB3 TYR 66 45.180 -8.306 11.923 489 HD1 TYR 66 HD1 TYR 66 46.386 -6.182 12.603 490 HD2 TYR 66 HD2 TYR 66 42.989 -7.685 14.803 491 HE1 TYR 66 HE1 TYR 66 46.864 -4.580 14.444 492 HE2 TYR 66 HE2 TYR 66 43.510 -6.120 16.667 493 HH TYR 66 HH TYR 66 44.888 -4.445 17.423 494 H ARG 67 H ARG 67 45.375 -7.172 9.695 495 HA ARG 67 HA ARG 67 46.477 -4.548 10.011 496 1HB ARG 67 HB2 ARG 67 46.605 -6.610 7.779 497 2HB ARG 67 HB3 ARG 67 47.366 -5.022 7.618 498 1HG ARG 67 HG2 ARG 67 48.653 -5.457 9.737 499 2HG ARG 67 HG3 ARG 67 47.954 -7.079 9.791 500 1HD ARG 67 HD2 ARG 67 50.174 -7.190 8.846 501 2HD ARG 67 HD3 ARG 67 48.993 -7.589 7.585 502 HE ARG 67 HE ARG 67 49.528 -4.798 7.453 503 1HH1 ARG 67 HH21 ARG 67 51.422 -7.711 6.899 504 2HH1 ARG 67 HH22 ARG 67 52.339 -6.955 5.628 505 1HH2 ARG 67 HH11 ARG 67 50.797 -3.900 5.883 506 2HH2 ARG 67 HH12 ARG 67 52.026 -4.853 5.108 507 H ASN 68 H ASN 68 44.098 -5.662 7.582 508 HA ASN 68 HA ASN 68 43.670 -3.101 6.371 509 1HB ASN 68 HB2 ASN 68 43.032 -5.275 5.355 510 2HB ASN 68 HB3 ASN 68 41.839 -5.524 6.628 511 1HD2 ASN 68 HD22 ASN 68 39.774 -5.040 5.948 512 2HD2 ASN 68 HD21 ASN 68 39.398 -3.799 4.764 513 H ALA 69 H ALA 69 41.930 -4.641 9.080 514 HA ALA 69 HA ALA 69 40.088 -2.491 9.290 515 1HB ALA 69 HB1 ALA 69 39.635 -4.766 10.156 516 2HB ALA 69 HB2 ALA 69 40.918 -4.574 11.374 517 3HB ALA 69 HB3 ALA 69 39.457 -3.564 11.449 518 H GLN 70 H GLN 70 43.168 -3.100 11.031 519 HA GLN 70 HA GLN 70 43.056 -0.799 12.725 520 1HB GLN 70 HB2 GLN 70 44.536 -2.810 12.987 521 2HB GLN 70 HB3 GLN 70 45.479 -2.270 11.599 522 1HG GLN 70 HG2 GLN 70 46.615 -1.686 13.662 523 2HG GLN 70 HG3 GLN 70 46.115 -0.208 12.847 524 1HE2 GLN 70 HE22 GLN 70 45.333 -2.404 15.627 525 2HE2 GLN 70 HE21 GLN 70 44.448 -1.161 16.491 526 H SER 71 H SER 71 44.433 -1.241 9.422 527 HA SER 71 HA SER 71 45.389 1.441 9.086 528 1HB SER 71 HB2 SER 71 44.367 -0.506 6.977 529 2HB SER 71 HB3 SER 71 45.297 0.971 6.671 530 HG SER 71 HG SER 71 46.112 -1.398 8.007 531 H SER 72 H SER 72 42.194 -0.006 8.325 532 HA SER 72 HA SER 72 40.969 2.360 7.270 533 1HB SER 72 HB2 SER 72 40.098 0.061 6.983 534 2HB SER 72 HB3 SER 72 39.707 -0.008 8.712 535 HG SER 72 HG SER 72 37.908 0.603 7.385 536 H ALA 73 H ALA 73 41.005 1.026 10.624 537 HA ALA 73 HA ALA 73 39.287 2.852 11.804 538 1HB ALA 73 HB1 ALA 73 41.719 1.496 13.040 539 2HB ALA 73 HB2 ALA 73 40.355 2.198 13.933 540 3HB ALA 73 HB3 ALA 73 40.092 0.792 12.887 541 H VAL 74 H VAL 74 42.796 3.352 11.309 542 HA VAL 74 HA VAL 74 42.959 5.786 12.763 543 HB VAL 74 HB VAL 74 44.556 4.445 10.535 544 1HG1 VAL 74 HG11 VAL 74 45.087 6.761 10.230 545 2HG1 VAL 74 HG12 VAL 74 45.360 6.976 11.983 546 3HG1 VAL 74 HG13 VAL 74 46.443 5.946 11.009 547 1HG2 VAL 74 HG21 VAL 74 46.170 4.001 12.335 548 2HG2 VAL 74 HG22 VAL 74 45.166 4.908 13.488 549 3HG2 VAL 74 HG23 VAL 74 44.581 3.385 12.790 550 H LYS 75 H LYS 75 41.556 5.220 9.635 551 HA LYS 75 HA LYS 75 41.515 8.163 9.033 552 1HB LYS 75 HB2 LYS 75 41.338 5.752 7.186 553 2HB LYS 75 HB3 LYS 75 41.155 7.437 6.676 554 1HG LYS 75 HG2 LYS 75 43.442 7.957 7.450 555 2HG LYS 75 HG3 LYS 75 43.662 6.279 7.981 556 1HD LYS 75 HD2 LYS 75 43.332 5.491 5.654 557 2HD LYS 75 HD3 LYS 75 43.149 7.176 5.113 558 1HE LYS 75 HE2 LYS 75 45.429 7.691 5.959 559 2HE LYS 75 HE3 LYS 75 45.608 6.021 6.512 560 1HZ LYS 75 HZ1 LYS 75 45.254 6.849 3.679 561 2HZ LYS 75 HZ2 LYS 75 46.652 6.344 4.348 562 3HZ LYS 75 HZ3 LYS 75 45.406 5.303 4.187 563 H SER 76 H SER 76 39.494 5.673 10.070 564 HA SER 76 HA SER 76 37.019 7.227 9.413 565 1HB SER 76 HB2 SER 76 37.425 4.221 9.134 566 2HB SER 76 HB3 SER 76 35.902 5.090 8.877 567 HG SER 76 HG SER 76 37.052 4.670 6.920 568 H MET 77 H MET 77 38.687 6.711 11.987 569 HA MET 77 HA MET 77 37.647 4.902 13.686 570 1HB MET 77 HB2 MET 77 39.594 6.503 14.100 571 2HB MET 77 HB3 MET 77 38.409 7.722 14.556 572 1HG MET 77 HG2 MET 77 39.308 6.650 16.531 573 2HG MET 77 HG3 MET 77 37.600 6.246 16.383 574 1HE MET 77 HE1 MET 77 39.456 4.750 18.394 575 2HE MET 77 HE2 MET 77 37.753 4.310 18.125 576 3HE MET 77 HE3 MET 77 39.010 3.053 18.111 577 H LYS 78 H LYS 78 36.210 8.181 13.388 578 HA LYS 78 HA LYS 78 34.141 7.720 15.363 579 1HB LYS 78 HB2 LYS 78 34.309 9.795 13.135 580 2HB LYS 78 HB3 LYS 78 33.170 9.830 14.477 581 1HG LYS 78 HG2 LYS 78 36.202 10.067 14.718 582 2HG LYS 78 HG3 LYS 78 35.027 11.378 14.827 583 1HD LYS 78 HD2 LYS 78 34.015 10.267 16.842 584 2HD LYS 78 HD3 LYS 78 35.309 9.049 16.778 585 1HE LYS 78 HE2 LYS 78 37.009 10.853 16.978 586 2HE LYS 78 HE3 LYS 78 35.721 12.060 17.048 587 1HZ LYS 78 HZ1 LYS 78 36.482 11.481 19.270 588 2HZ LYS 78 HZ2 LYS 78 34.935 10.995 19.104 589 3HZ LYS 78 HZ3 LYS 78 36.148 9.900 19.047 590 H ASP 79 H ASP 79 34.258 7.003 11.932 591 HA ASP 79 HA ASP 79 31.372 6.594 11.644 592 1HB ASP 79 HB2 ASP 79 32.860 7.133 9.725 593 2HB ASP 79 HB3 ASP 79 33.687 5.592 9.940 594 H ILE 80 H ILE 80 34.237 4.472 12.180 595 HA ILE 80 HA ILE 80 32.774 2.015 12.393 596 HB ILE 80 HB ILE 80 35.421 2.789 13.681 597 1HG1 ILE 80 HG12 ILE 80 34.796 1.353 11.051 598 2HG1 ILE 80 HG13 ILE 80 35.440 2.985 11.211 599 1HG2 ILE 80 HG21 ILE 80 35.820 0.350 13.879 600 2HG2 ILE 80 HG22 ILE 80 34.400 0.805 14.792 601 3HG2 ILE 80 HG23 ILE 80 34.207 0.021 13.208 602 1HD1 ILE 80 HD11 ILE 80 37.433 1.955 12.437 603 2HD1 ILE 80 HD12 ILE 80 36.859 0.386 11.830 604 3HD1 ILE 80 HD13 ILE 80 37.307 1.659 10.685 605 H ASP 81 H ASP 81 33.802 4.316 14.921 606 HA ASP 81 HA ASP 81 32.635 3.023 17.144 607 1HB ASP 81 HB2 ASP 81 34.288 4.889 17.170 608 2HB ASP 81 HB3 ASP 81 33.011 6.003 16.681 609 H SER 82 H SER 82 30.966 4.580 14.562 610 HA SER 82 HA SER 82 28.431 4.845 16.127 611 1HB SER 82 HB2 SER 82 29.167 5.932 13.385 612 2HB SER 82 HB3 SER 82 27.650 6.208 14.256 613 HG SER 82 HG SER 82 30.255 7.136 14.859 614 H SER 83 H SER 83 29.913 2.676 13.904 615 HA SER 83 HA SER 83 27.258 1.515 13.121 616 1HB SER 83 HB2 SER 83 29.556 2.222 11.263 617 2HB SER 83 HB3 SER 83 28.113 1.311 10.794 618 HG SER 83 HG SER 83 27.956 3.562 10.313 619 H ILE 84 H ILE 84 30.265 0.688 14.438 620 HA ILE 84 HA ILE 84 30.864 -1.783 13.265 621 HB ILE 84 HB ILE 84 32.274 -0.617 14.858 622 1HG1 ILE 84 HG12 ILE 84 31.668 -3.418 15.864 623 2HG1 ILE 84 HG13 ILE 84 32.552 -3.048 14.378 624 1HG2 ILE 84 HG21 ILE 84 31.913 -0.611 17.257 625 2HG2 ILE 84 HG22 ILE 84 30.502 0.102 16.491 626 3HG2 ILE 84 HG23 ILE 84 30.427 -1.567 17.090 627 1HD1 ILE 84 HD11 ILE 84 34.138 -3.537 16.126 628 2HD1 ILE 84 HD12 ILE 84 34.257 -1.809 15.734 629 3HD1 ILE 84 HD13 ILE 84 33.415 -2.341 17.211 630 H LEU 85 H LEU 85 30.336 -3.912 13.617 631 HA LEU 85 HA LEU 85 28.012 -4.672 15.244 632 1HB LEU 85 HB2 LEU 85 26.647 -5.380 13.474 633 2HB LEU 85 HB3 LEU 85 27.128 -3.745 13.075 634 HG LEU 85 HG LEU 85 28.164 -6.326 11.814 635 1HD1 LEU 85 HD11 LEU 85 25.881 -5.625 11.168 636 2HD1 LEU 85 HD12 LEU 85 26.505 -4.030 10.692 637 3HD1 LEU 85 HD13 LEU 85 27.013 -5.492 9.817 638 1HD2 LEU 85 HD21 LEU 85 30.026 -4.769 11.715 639 2HD2 LEU 85 HD22 LEU 85 29.272 -4.832 10.128 640 3HD2 LEU 85 HD23 LEU 85 28.949 -3.445 11.194 641 H GLU 86 H GLU 86 27.552 -7.011 15.115 642 HA GLU 86 HA GLU 86 29.991 -8.690 14.607 643 1HB GLU 86 HB2 GLU 86 28.169 -8.691 17.046 644 2HB GLU 86 HB3 GLU 86 29.451 -9.865 16.732 645 1HG GLU 86 HG2 GLU 86 31.128 -8.016 16.718 646 2HG GLU 86 HG3 GLU 86 29.853 -6.877 17.162 647 H HIS 87 H HIS 87 26.907 -8.319 13.581 648 HA HIS 87 HA HIS 87 26.580 -11.181 12.840 649 1HB HIS 87 HB2 HIS 87 24.423 -9.361 14.000 650 2HB HIS 87 HB3 HIS 87 24.087 -10.849 13.130 651 HD1 HIS 87 HD1 HIS 87 26.926 -11.766 15.225 652 HD2 HIS 87 HD2 HIS 87 22.818 -11.032 15.763 653 HE1 HIS 87 HE1 HIS 87 26.263 -12.963 17.383 654 H HIS 88 H HIS 88 25.427 -11.467 10.855 655 HA HIS 88 HA HIS 88 25.156 -9.075 9.094 656 1HB HIS 88 HB2 HIS 88 26.857 -11.506 8.409 657 2HB HIS 88 HB3 HIS 88 26.669 -10.034 7.463 658 HD1 HIS 88 HD1 HIS 88 28.847 -11.524 10.117 659 HD2 HIS 88 HD2 HIS 88 27.810 -7.715 8.655 660 HE1 HIS 88 HE1 HIS 88 30.610 -9.913 11.010 661 H HIS 89 H HIS 89 23.945 -9.433 7.176 662 HA HIS 89 HA HIS 89 21.818 -11.351 7.284 663 1HB HIS 89 HB2 HIS 89 21.635 -9.163 6.202 664 2HB HIS 89 HB3 HIS 89 22.868 -9.604 5.021 665 HD1 HIS 89 HD1 HIS 89 21.910 -10.581 2.797 666 HD2 HIS 89 HD2 HIS 89 19.295 -10.840 6.088 667 HE1 HIS 89 HE1 HIS 89 19.713 -11.503 1.892 668 H HIS 90 H HIS 90 24.933 -11.382 5.582 669 HA HIS 90 HA HIS 90 24.863 -14.277 5.297 670 1HB HIS 90 HB2 HIS 90 23.653 -13.422 3.245 671 2HB HIS 90 HB3 HIS 90 25.105 -12.526 2.809 672 HD1 HIS 90 HD1 HIS 90 24.289 -16.266 3.635 673 HD2 HIS 90 HD2 HIS 90 26.517 -13.806 1.041 674 HE1 HIS 90 HE1 HIS 90 25.483 -17.831 2.016 675 H HIS 91 H HIS 91 27.026 -15.111 4.663 676 HA HIS 91 HA HIS 91 29.278 -13.189 5.028 677 1HB HIS 91 HB2 HIS 91 30.085 -14.389 6.977 678 2HB HIS 91 HB3 HIS 91 28.451 -13.819 7.263 679 HD1 HIS 91 HD1 HIS 91 26.638 -15.702 7.818 680 HD2 HIS 91 HD2 HIS 91 30.392 -17.117 6.540 681 HE1 HIS 91 HE1 HIS 91 26.607 -18.227 8.167 682 H HIS 92 H HIS 92 28.281 -15.868 3.237 683 HA HIS 92 HA HIS 92 30.660 -17.481 3.320 684 1HB HIS 92 HB2 HIS 92 28.312 -18.173 2.599 685 2HB HIS 92 HB3 HIS 92 28.649 -17.377 1.056 686 HD1 HIS 92 HD1 HIS 92 31.796 -18.552 1.138 687 HD2 HIS 92 HD2 HIS 92 28.124 -20.581 1.376 688 HE1 HIS 92 HE1 HIS 92 32.261 -20.971 0.387 Start of MODEL 10 1 1H MET 1 H1 MET 1 86.766 -6.633 -8.614 2 2H MET 1 H2 MET 1 85.257 -7.124 -8.224 3 3H MET 1 H3 MET 1 86.082 -7.873 -9.430 4 HA MET 1 HA MET 1 86.046 -5.880 -10.780 5 1HB MET 1 HB2 MET 1 83.284 -6.730 -9.791 6 2HB MET 1 HB3 MET 1 83.584 -5.714 -11.202 7 1HG MET 1 HG2 MET 1 84.481 -8.596 -10.864 8 2HG MET 1 HG3 MET 1 83.173 -8.001 -11.878 9 1HE MET 1 HE1 MET 1 84.106 -9.350 -13.929 10 2HE MET 1 HE2 MET 1 85.779 -9.237 -14.518 11 3HE MET 1 HE3 MET 1 85.445 -9.959 -12.928 12 H SER 2 H SER 2 85.942 -3.683 -10.893 13 HA SER 2 HA SER 2 85.920 -2.114 -8.541 14 1HB SER 2 HB2 SER 2 85.478 -1.172 -11.396 15 2HB SER 2 HB3 SER 2 86.087 -0.212 -10.033 16 HG SER 2 HG SER 2 87.785 -0.987 -11.381 17 H ASN 3 H ASN 3 83.220 -3.071 -10.513 18 HA ASN 3 HA ASN 3 81.327 -1.740 -8.711 19 1HB ASN 3 HB2 ASN 3 80.045 -0.727 -10.561 20 2HB ASN 3 HB3 ASN 3 81.666 -0.063 -10.500 21 1HD2 ASN 3 HD22 ASN 3 79.469 -2.194 -12.373 22 2HD2 ASN 3 HD21 ASN 3 80.485 -2.153 -13.805 23 HA PRO 4 HA PRO 4 79.126 -5.546 -9.652 24 1HB PRO 4 HB2 PRO 4 76.532 -4.934 -9.135 25 2HB PRO 4 HB3 PRO 4 77.766 -5.060 -7.845 26 1HG PRO 4 HG2 PRO 4 76.725 -2.555 -9.200 27 2HG PRO 4 HG3 PRO 4 76.958 -2.857 -7.448 28 1HD PRO 4 HD2 PRO 4 78.787 -1.527 -8.995 29 2HD PRO 4 HD3 PRO 4 79.284 -2.538 -7.615 30 HA PRO 5 HA PRO 5 77.621 -5.495 -13.884 31 1HB PRO 5 HB2 PRO 5 75.347 -7.157 -12.799 32 2HB PRO 5 HB3 PRO 5 76.306 -7.417 -14.284 33 1HG PRO 5 HG2 PRO 5 76.846 -8.854 -12.034 34 2HG PRO 5 HG3 PRO 5 78.196 -8.181 -13.006 35 1HD PRO 5 HD2 PRO 5 77.040 -7.137 -10.420 36 2HD PRO 5 HD3 PRO 5 78.734 -7.194 -10.980 37 H THR 6 H THR 6 75.101 -5.008 -11.367 38 HA THR 6 HA THR 6 73.543 -3.342 -13.275 39 HB THR 6 HB THR 6 71.493 -4.230 -12.417 40 HG1 THR 6 HG1 THR 6 71.601 -6.163 -11.155 41 1HG2 THR 6 HG21 THR 6 73.235 -6.537 -13.346 42 2HG2 THR 6 HG22 THR 6 71.475 -6.375 -13.492 43 3HG2 THR 6 HG23 THR 6 72.537 -5.299 -14.413 44 HA PRO 7 HA PRO 7 73.078 -0.162 -10.318 45 1HB PRO 7 HB2 PRO 7 70.158 -0.094 -11.050 46 2HB PRO 7 HB3 PRO 7 71.362 1.229 -11.065 47 1HG PRO 7 HG2 PRO 7 70.555 0.055 -13.384 48 2HG PRO 7 HG3 PRO 7 72.281 0.482 -13.128 49 1HD PRO 7 HD2 PRO 7 70.951 -2.222 -12.790 50 2HD PRO 7 HD3 PRO 7 72.455 -1.844 -13.612 51 H LEU 8 H LEU 8 70.532 -2.672 -10.209 52 HA LEU 8 HA LEU 8 69.403 -2.070 -7.708 53 1HB LEU 8 HB2 LEU 8 68.430 -3.546 -9.426 54 2HB LEU 8 HB3 LEU 8 69.695 -4.742 -9.140 55 HG LEU 8 HG LEU 8 68.841 -5.150 -6.862 56 1HD1 LEU 8 HD11 LEU 8 67.895 -2.972 -6.262 57 2HD1 LEU 8 HD12 LEU 8 66.701 -3.093 -7.577 58 3HD1 LEU 8 HD13 LEU 8 66.631 -4.199 -6.186 59 1HD2 LEU 8 HD21 LEU 8 67.942 -6.435 -8.771 60 2HD2 LEU 8 HD22 LEU 8 66.729 -6.220 -7.499 61 3HD2 LEU 8 HD23 LEU 8 66.648 -5.233 -8.976 62 H LEU 9 H LEU 9 72.277 -4.016 -8.426 63 HA LEU 9 HA LEU 9 72.732 -5.027 -5.764 64 1HB LEU 9 HB2 LEU 9 74.485 -4.624 -8.206 65 2HB LEU 9 HB3 LEU 9 75.075 -5.408 -6.746 66 HG LEU 9 HG LEU 9 72.683 -6.435 -8.339 67 1HD1 LEU 9 HD11 LEU 9 74.236 -8.146 -9.202 68 2HD1 LEU 9 HD12 LEU 9 74.710 -6.523 -9.712 69 3HD1 LEU 9 HD13 LEU 9 75.595 -7.332 -8.393 70 1HD2 LEU 9 HD21 LEU 9 72.714 -7.221 -5.999 71 2HD2 LEU 9 HD22 LEU 9 73.136 -8.537 -7.098 72 3HD2 LEU 9 HD23 LEU 9 74.412 -7.717 -6.173 73 H ALA 10 H ALA 10 72.930 -1.835 -6.828 74 HA ALA 10 HA ALA 10 74.633 -1.078 -4.497 75 1HB ALA 10 HB1 ALA 10 75.877 -0.818 -6.619 76 2HB ALA 10 HB2 ALA 10 74.574 0.209 -7.262 77 3HB ALA 10 HB3 ALA 10 75.541 0.751 -5.872 78 H ASP 11 H ASP 11 71.517 -1.138 -5.405 79 HA ASP 11 HA ASP 11 70.646 1.588 -4.977 80 1HB ASP 11 HB2 ASP 11 69.439 -0.175 -6.282 81 2HB ASP 11 HB3 ASP 11 69.106 -1.028 -4.774 82 H TYR 12 H TYR 12 71.780 -0.757 -2.794 83 HA TYR 12 HA TYR 12 70.881 0.752 -0.420 84 1HB TYR 12 HB2 TYR 12 70.110 -1.290 0.700 85 2HB TYR 12 HB3 TYR 12 69.154 -0.956 -0.728 86 HD1 TYR 12 HD1 TYR 12 71.587 -3.266 0.820 87 HD2 TYR 12 HD2 TYR 12 69.300 -2.399 -2.738 88 HE1 TYR 12 HE1 TYR 12 72.071 -5.549 -0.057 89 HE2 TYR 12 HE2 TYR 12 69.794 -4.671 -3.614 90 HH TYR 12 HH TYR 12 70.836 -6.678 -3.229 91 H GLU 13 H GLU 13 72.036 0.068 1.533 92 HA GLU 13 HA GLU 13 74.465 -1.555 1.286 93 1HB GLU 13 HB2 GLU 13 74.951 0.843 0.414 94 2HB GLU 13 HB3 GLU 13 74.843 1.360 2.083 95 1HG GLU 13 HG2 GLU 13 76.715 -0.829 1.049 96 2HG GLU 13 HG3 GLU 13 77.153 0.870 1.096 97 H TRP 14 H TRP 14 72.701 0.762 3.332 98 HA TRP 14 HA TRP 14 73.106 -0.997 5.733 99 1HB TRP 14 HB2 TRP 14 74.611 0.946 5.668 100 2HB TRP 14 HB3 TRP 14 73.241 2.027 5.492 101 HD1 TRP 14 HD1 TRP 14 74.795 -0.377 8.078 102 HE1 TRP 14 HE1 TRP 14 74.252 0.466 10.444 103 HE3 TRP 14 HE3 TRP 14 71.666 3.501 6.865 104 HZ2 TRP 14 HZ2 TRP 14 72.709 2.584 11.652 105 HZ3 TRP 14 HZ3 TRP 14 70.683 4.921 8.649 106 HH2 TRP 14 HH2 TRP 14 71.195 4.474 11.040 107 H SER 15 H SER 15 70.707 0.275 3.750 108 HA SER 15 HA SER 15 68.803 1.389 5.449 109 1HB SER 15 HB2 SER 15 68.836 1.320 2.922 110 2HB SER 15 HB3 SER 15 68.158 -0.317 3.022 111 HG SER 15 HG SER 15 66.554 1.342 2.791 112 H GLY 16 H GLY 16 69.494 -2.042 5.102 113 1HA GLY 16 HA2 GLY 16 67.257 -3.308 6.236 114 2HA GLY 16 HA3 GLY 16 68.947 -3.798 6.458 115 H TYR 17 H TYR 17 69.783 -1.434 7.889 116 HA TYR 17 HA TYR 17 69.165 -2.115 10.597 117 1HB TYR 17 HB2 TYR 17 71.213 -0.921 9.717 118 2HB TYR 17 HB3 TYR 17 70.233 0.522 9.514 119 HD1 TYR 17 HD1 TYR 17 69.384 1.764 11.510 120 HD2 TYR 17 HD2 TYR 17 71.928 -1.700 11.900 121 HE1 TYR 17 HE1 TYR 17 69.852 2.372 13.883 122 HE2 TYR 17 HE2 TYR 17 72.402 -1.087 14.265 123 HH TYR 17 HH TYR 17 72.012 0.402 15.961 124 H LEU 18 H LEU 18 67.732 0.260 8.396 125 HA LEU 18 HA LEU 18 66.143 1.639 10.407 126 1HB LEU 18 HB2 LEU 18 65.757 1.556 7.385 127 2HB LEU 18 HB3 LEU 18 65.080 2.729 8.500 128 HG LEU 18 HG LEU 18 68.055 2.406 7.878 129 1HD1 LEU 18 HD11 LEU 18 67.810 4.543 6.708 130 2HD1 LEU 18 HD12 LEU 18 66.748 3.314 6.001 131 3HD1 LEU 18 HD13 LEU 18 66.068 4.565 7.068 132 1HD2 LEU 18 HD21 LEU 18 68.290 4.567 9.090 133 2HD2 LEU 18 HD22 LEU 18 66.581 4.478 9.569 134 3HD2 LEU 18 HD23 LEU 18 67.749 3.270 10.157 135 H THR 19 H THR 19 65.531 -1.158 8.251 136 HA THR 19 HA THR 19 62.749 -1.463 8.806 137 HB THR 19 HB THR 19 64.759 -3.713 8.424 138 HG1 THR 19 HG1 THR 19 64.295 -3.446 6.224 139 1HG2 THR 19 HG21 THR 19 62.838 -4.844 7.314 140 2HG2 THR 19 HG22 THR 19 62.510 -4.518 9.017 141 3HG2 THR 19 HG23 THR 19 61.786 -3.483 7.766 142 H GLY 20 H GLY 20 65.599 -2.346 10.684 143 1HA GLY 20 HA2 GLY 20 64.547 -3.947 12.739 144 2HA GLY 20 HA3 GLY 20 65.922 -2.836 12.872 145 H ILE 21 H ILE 21 64.351 -0.448 12.375 146 HA ILE 21 HA ILE 21 62.914 -0.208 14.980 147 HB ILE 21 HB ILE 21 64.968 1.107 14.780 148 1HG1 ILE 21 HG12 ILE 21 64.130 3.294 15.482 149 2HG1 ILE 21 HG13 ILE 21 62.522 2.928 14.865 150 1HG2 ILE 21 HG21 ILE 21 65.058 1.578 12.411 151 2HG2 ILE 21 HG22 ILE 21 63.611 2.612 12.513 152 3HG2 ILE 21 HG23 ILE 21 65.115 3.078 13.326 153 1HD1 ILE 21 HD11 ILE 21 62.745 2.693 17.345 154 2HD1 ILE 21 HD12 ILE 21 62.226 1.188 16.577 155 3HD1 ILE 21 HD13 ILE 21 63.917 1.383 17.101 156 H GLY 22 H GLY 22 62.530 0.383 11.524 157 1HA GLY 22 HA2 GLY 22 60.097 1.803 11.474 158 2HA GLY 22 HA3 GLY 22 60.659 0.650 10.249 159 H ARG 23 H ARG 23 60.640 -1.670 11.915 160 HA ARG 23 HA ARG 23 57.941 -2.598 11.741 161 1HB ARG 23 HB2 ARG 23 60.100 -3.929 11.640 162 2HB ARG 23 HB3 ARG 23 60.253 -3.735 13.382 163 1HG ARG 23 HG2 ARG 23 59.400 -5.943 12.793 164 2HG ARG 23 HG3 ARG 23 58.187 -5.065 13.717 165 1HD ARG 23 HD2 ARG 23 57.018 -4.488 11.573 166 2HD ARG 23 HD3 ARG 23 58.244 -5.400 10.684 167 HE ARG 23 HE ARG 23 56.366 -6.587 12.730 168 1HH1 ARG 23 HH21 ARG 23 57.953 -7.041 9.613 169 2HH1 ARG 23 HH22 ARG 23 57.037 -8.495 9.316 170 1HH2 ARG 23 HH11 ARG 23 55.251 -8.215 12.263 171 2HH2 ARG 23 HH12 ARG 23 55.434 -9.133 10.779 172 H ALA 24 H ALA 24 59.208 -0.606 14.236 173 HA ALA 24 HA ALA 24 58.014 -1.690 16.522 174 1HB ALA 24 HB1 ALA 24 58.322 0.556 17.485 175 2HB ALA 24 HB2 ALA 24 59.727 0.087 16.515 176 3HB ALA 24 HB3 ALA 24 58.536 1.237 15.858 177 H PHE 25 H PHE 25 56.174 -0.160 13.980 178 HA PHE 25 HA PHE 25 53.948 0.458 15.691 179 1HB PHE 25 HB2 PHE 25 52.718 0.893 13.718 180 2HB PHE 25 HB3 PHE 25 54.361 1.359 13.320 181 HD1 PHE 25 HD1 PHE 25 55.706 -0.038 11.739 182 HD2 PHE 25 HD2 PHE 25 51.611 -1.008 12.648 183 HE1 PHE 25 HE1 PHE 25 55.661 -1.621 9.825 184 HE2 PHE 25 HE2 PHE 25 51.558 -2.582 10.728 185 HZ PHE 25 HZ PHE 25 53.585 -2.899 9.320 186 H ASP 26 H ASP 26 55.125 -2.528 14.422 187 HA ASP 26 HA ASP 26 52.598 -3.956 14.324 188 1HB ASP 26 HB2 ASP 26 54.574 -4.263 12.794 189 2HB ASP 26 HB3 ASP 26 55.482 -4.904 14.153 190 H ASP 27 H ASP 27 54.436 -3.088 17.018 191 HA ASP 27 HA ASP 27 54.971 -5.458 18.346 192 1HB ASP 27 HB2 ASP 27 55.501 -4.209 20.194 193 2HB ASP 27 HB3 ASP 27 55.719 -3.066 18.881 194 H GLY 28 H GLY 28 51.797 -3.992 18.163 195 1HA GLY 28 HA2 GLY 28 50.659 -5.831 20.219 196 2HA GLY 28 HA3 GLY 28 49.834 -4.486 19.424 197 H VAL 29 H VAL 29 51.339 -6.093 16.968 198 HA VAL 29 HA VAL 29 49.212 -8.159 16.590 199 HB VAL 29 HB VAL 29 50.410 -6.802 14.186 200 1HG1 VAL 29 HG11 VAL 29 48.132 -7.396 13.272 201 2HG1 VAL 29 HG12 VAL 29 49.061 -8.786 13.811 202 3HG1 VAL 29 HG13 VAL 29 47.759 -8.164 14.840 203 1HG2 VAL 29 HG21 VAL 29 49.610 -4.865 15.384 204 2HG2 VAL 29 HG22 VAL 29 48.470 -5.245 14.093 205 3HG2 VAL 29 HG23 VAL 29 48.077 -5.682 15.774 206 H LYS 30 H LYS 30 52.551 -7.552 16.826 207 HA LYS 30 HA LYS 30 53.772 -9.556 15.379 208 1HB LYS 30 HB2 LYS 30 54.852 -7.869 16.827 209 2HB LYS 30 HB3 LYS 30 54.361 -8.781 18.262 210 1HG LYS 30 HG2 LYS 30 55.745 -10.685 17.560 211 2HG LYS 30 HG3 LYS 30 56.121 -9.883 16.020 212 1HD LYS 30 HD2 LYS 30 57.290 -8.073 17.225 213 2HD LYS 30 HD3 LYS 30 56.879 -8.827 18.782 214 1HE LYS 30 HE2 LYS 30 58.139 -10.865 18.121 215 2HE LYS 30 HE3 LYS 30 58.550 -10.116 16.574 216 1HZ LYS 30 HZ1 LYS 30 60.347 -9.869 18.194 217 2HZ LYS 30 HZ2 LYS 30 59.766 -8.397 17.799 218 3HZ LYS 30 HZ3 LYS 30 59.374 -9.075 19.235 219 H ASP 31 H ASP 31 51.725 -9.975 18.190 220 HA ASP 31 HA ASP 31 52.010 -12.731 18.754 221 1HB ASP 31 HB2 ASP 31 50.692 -11.033 20.047 222 2HB ASP 31 HB3 ASP 31 49.517 -10.962 18.734 223 H LEU 32 H LEU 32 49.816 -11.161 16.422 224 HA LEU 32 HA LEU 32 48.662 -13.610 15.418 225 1HB LEU 32 HB2 LEU 32 47.939 -10.992 15.496 226 2HB LEU 32 HB3 LEU 32 48.661 -11.016 13.907 227 HG LEU 32 HG LEU 32 46.278 -12.632 14.922 228 1HD1 LEU 32 HD11 LEU 32 45.089 -11.310 13.176 229 2HD1 LEU 32 HD12 LEU 32 45.841 -10.285 14.406 230 3HD1 LEU 32 HD13 LEU 32 46.607 -10.450 12.817 231 1HD2 LEU 32 HD21 LEU 32 47.678 -12.817 12.236 232 2HD2 LEU 32 HD22 LEU 32 47.376 -14.129 13.389 233 3HD2 LEU 32 HD23 LEU 32 46.021 -13.398 12.531 234 H ASN 33 H ASN 33 51.293 -11.462 14.446 235 HA ASN 33 HA ASN 33 51.977 -12.766 11.946 236 1HB ASN 33 HB2 ASN 33 53.689 -11.198 13.929 237 2HB ASN 33 HB3 ASN 33 54.308 -11.854 12.435 238 1HD2 ASN 33 HD22 ASN 33 51.964 -9.469 13.712 239 2HD2 ASN 33 HD21 ASN 33 52.291 -8.362 12.401 240 H LYS 34 H LYS 34 52.961 -13.407 15.318 241 HA LYS 34 HA LYS 34 54.670 -15.644 14.685 242 1HB LYS 34 HB2 LYS 34 54.769 -14.279 16.772 243 2HB LYS 34 HB3 LYS 34 53.258 -15.021 17.313 244 1HG LYS 34 HG2 LYS 34 54.330 -17.245 17.310 245 2HG LYS 34 HG3 LYS 34 55.829 -16.537 16.673 246 1HD LYS 34 HD2 LYS 34 55.995 -15.105 18.706 247 2HD LYS 34 HD3 LYS 34 54.546 -15.867 19.369 248 1HE LYS 34 HE2 LYS 34 57.128 -17.333 18.640 249 2HE LYS 34 HE3 LYS 34 56.739 -16.745 20.257 250 1HZ LYS 34 HZ1 LYS 34 56.154 -19.070 20.049 251 2HZ LYS 34 HZ2 LYS 34 54.786 -18.208 20.258 252 3HZ LYS 34 HZ3 LYS 34 55.173 -18.790 18.777 253 H GLN 35 H GLN 35 51.207 -15.472 15.475 254 HA GLN 35 HA GLN 35 50.678 -18.307 15.389 255 1HB GLN 35 HB2 GLN 35 48.920 -15.925 14.662 256 2HB GLN 35 HB3 GLN 35 48.364 -17.593 14.653 257 1HG GLN 35 HG2 GLN 35 48.817 -17.822 17.034 258 2HG GLN 35 HG3 GLN 35 49.456 -16.175 17.118 259 1HE2 GLN 35 HE22 GLN 35 47.886 -14.686 17.975 260 2HE2 GLN 35 HE21 GLN 35 46.173 -14.893 17.664 261 H LEU 36 H LEU 36 50.757 -15.853 12.816 262 HA LEU 36 HA LEU 36 50.109 -17.668 10.669 263 1HB LEU 36 HB2 LEU 36 49.737 -15.219 10.749 264 2HB LEU 36 HB3 LEU 36 51.473 -14.992 10.540 265 HG LEU 36 HG LEU 36 51.425 -16.099 8.375 266 1HD1 LEU 36 HD11 LEU 36 49.257 -16.624 7.248 267 2HD1 LEU 36 HD12 LEU 36 49.709 -17.809 8.495 268 3HD1 LEU 36 HD13 LEU 36 48.465 -16.587 8.814 269 1HD2 LEU 36 HD21 LEU 36 49.059 -14.238 8.720 270 2HD2 LEU 36 HD22 LEU 36 50.744 -13.671 8.703 271 3HD2 LEU 36 HD23 LEU 36 50.031 -14.385 7.253 272 H GLN 37 H GLN 37 53.246 -16.503 11.934 273 HA GLN 37 HA GLN 37 54.837 -17.961 10.040 274 1HB GLN 37 HB2 GLN 37 55.590 -16.039 11.443 275 2HB GLN 37 HB3 GLN 37 55.526 -17.050 12.880 276 1HG GLN 37 HG2 GLN 37 57.255 -17.670 10.440 277 2HG GLN 37 HG3 GLN 37 57.810 -16.655 11.762 278 1HE2 GLN 37 HE22 GLN 37 58.921 -19.267 10.820 279 2HE2 GLN 37 HE21 GLN 37 58.886 -20.279 12.257 280 H ASP 38 H ASP 38 53.411 -18.900 13.180 281 HA ASP 38 HA ASP 38 54.518 -21.560 13.195 282 1HB ASP 38 HB2 ASP 38 53.540 -20.515 15.193 283 2HB ASP 38 HB3 ASP 38 51.947 -20.520 14.438 284 H ALA 39 H ALA 39 51.562 -20.212 11.689 285 HA ALA 39 HA ALA 39 50.682 -22.692 10.567 286 1HB ALA 39 HB1 ALA 39 50.326 -20.244 8.864 287 2HB ALA 39 HB2 ALA 39 49.177 -21.512 9.319 288 3HB ALA 39 HB3 ALA 39 49.588 -20.169 10.462 289 H GLN 40 H GLN 40 52.873 -20.221 9.320 290 HA GLN 40 HA GLN 40 53.504 -21.511 6.854 291 1HB GLN 40 HB2 GLN 40 53.809 -19.015 7.664 292 2HB GLN 40 HB3 GLN 40 55.320 -19.576 8.363 293 1HG GLN 40 HG2 GLN 40 56.118 -20.300 6.138 294 2HG GLN 40 HG3 GLN 40 54.570 -19.852 5.418 295 1HE2 GLN 40 HE22 GLN 40 57.647 -18.616 6.658 296 2HE2 GLN 40 HE21 GLN 40 57.351 -16.953 6.171 297 H ALA 41 H ALA 41 54.868 -21.965 10.087 298 HA ALA 41 HA ALA 41 57.016 -23.722 9.096 299 1HB ALA 41 HB1 ALA 41 57.503 -24.118 11.413 300 2HB ALA 41 HB2 ALA 41 57.321 -22.378 11.116 301 3HB ALA 41 HB3 ALA 41 56.007 -23.282 11.921 302 H ASN 42 H ASN 42 53.721 -24.324 10.403 303 HA ASN 42 HA ASN 42 54.113 -27.205 10.161 304 1HB ASN 42 HB2 ASN 42 51.513 -25.575 10.296 305 2HB ASN 42 HB3 ASN 42 51.631 -27.301 10.159 306 1HD2 ASN 42 HD21 ASN 42 52.294 -24.620 12.396 307 2HD2 ASN 42 HD22 ASN 42 52.462 -25.673 13.784 308 H LEU 43 H LEU 43 53.153 -24.586 7.977 309 HA LEU 43 HA LEU 43 52.946 -26.288 5.706 310 1HB LEU 43 HB2 LEU 43 52.174 -23.724 6.188 311 2HB LEU 43 HB3 LEU 43 53.753 -23.381 5.504 312 HG LEU 43 HG LEU 43 53.184 -24.758 3.543 313 1HD1 LEU 43 HD11 LEU 43 50.568 -24.733 5.089 314 2HD1 LEU 43 HD12 LEU 43 50.608 -25.036 3.310 315 3HD1 LEU 43 HD13 LEU 43 51.402 -26.161 4.377 316 1HD2 LEU 43 HD21 LEU 43 52.883 -22.312 3.432 317 2HD2 LEU 43 HD22 LEU 43 51.691 -23.210 2.461 318 3HD2 LEU 43 HD23 LEU 43 51.206 -22.512 4.029 319 H THR 44 H THR 44 55.751 -24.636 7.182 320 HA THR 44 HA THR 44 57.489 -25.164 5.008 321 HB THR 44 HB THR 44 58.143 -24.915 7.957 322 HG1 THR 44 HG1 THR 44 57.368 -23.064 6.759 323 1HG2 THR 44 HG21 THR 44 60.472 -24.482 7.101 324 2HG2 THR 44 HG22 THR 44 59.912 -26.169 7.092 325 3HG2 THR 44 HG23 THR 44 59.932 -25.250 5.561 326 H LYS 45 H LYS 45 56.618 -27.147 7.799 327 HA LYS 45 HA LYS 45 58.295 -29.428 7.233 328 1HB LYS 45 HB2 LYS 45 55.659 -29.076 8.677 329 2HB LYS 45 HB3 LYS 45 56.516 -30.623 8.603 330 1HG LYS 45 HG2 LYS 45 58.493 -29.585 9.689 331 2HG LYS 45 HG3 LYS 45 57.609 -28.062 9.837 332 1HD LYS 45 HD2 LYS 45 56.793 -30.706 11.127 333 2HD LYS 45 HD3 LYS 45 57.622 -29.368 11.942 334 1HE LYS 45 HE2 LYS 45 55.715 -27.863 11.418 335 2HE LYS 45 HE3 LYS 45 54.867 -29.215 10.647 336 1HZ LYS 45 HZ1 LYS 45 54.100 -28.891 12.902 337 2HZ LYS 45 HZ2 LYS 45 54.843 -30.345 12.803 338 3HZ LYS 45 HZ3 LYS 45 55.606 -29.086 13.519 339 H ASN 46 H ASN 46 55.147 -28.538 5.878 340 HA ASN 46 HA ASN 46 55.710 -30.245 3.620 341 1HB ASN 46 HB2 ASN 46 54.557 -31.694 5.267 342 2HB ASN 46 HB3 ASN 46 53.219 -30.571 5.216 343 1HD2 ASN 46 HD22 ASN 46 53.164 -33.430 4.509 344 2HD2 ASN 46 HD21 ASN 46 52.887 -33.563 2.779 345 HA PRO 47 HA PRO 47 54.608 -25.996 2.526 346 1HB PRO 47 HB2 PRO 47 55.522 -27.141 -0.077 347 2HB PRO 47 HB3 PRO 47 55.717 -25.469 0.596 348 1HG PRO 47 HG2 PRO 47 57.727 -27.305 0.828 349 2HG PRO 47 HG3 PRO 47 57.314 -26.206 2.183 350 1HD PRO 47 HD2 PRO 47 56.749 -29.118 1.920 351 2HD PRO 47 HD3 PRO 47 56.940 -28.121 3.360 352 H SER 48 H SER 48 53.187 -28.746 0.640 353 HA SER 48 HA SER 48 50.762 -27.132 0.698 354 1HB SER 48 HB2 SER 48 50.250 -27.939 -1.476 355 2HB SER 48 HB3 SER 48 51.871 -27.222 -1.441 356 HG SER 48 HG SER 48 51.854 -29.218 -2.612 357 H ASP 49 H ASP 49 51.520 -28.920 2.730 358 HA ASP 49 HA ASP 49 49.673 -31.178 2.712 359 1HB ASP 49 HB2 ASP 49 51.288 -31.269 4.338 360 2HB ASP 49 HB3 ASP 49 51.124 -29.658 4.908 361 HA PRO 50 HA PRO 50 46.342 -28.435 2.224 362 1HB PRO 50 HB2 PRO 50 44.197 -30.059 2.614 363 2HB PRO 50 HB3 PRO 50 45.277 -30.056 1.159 364 1HG PRO 50 HG2 PRO 50 45.301 -31.912 3.578 365 2HG PRO 50 HG3 PRO 50 45.453 -32.364 1.850 366 1HD PRO 50 HD2 PRO 50 47.619 -32.035 3.547 367 2HD PRO 50 HD3 PRO 50 47.703 -31.675 1.790 368 H THR 51 H THR 51 46.451 -30.147 5.343 369 HA THR 51 HA THR 51 44.520 -28.273 6.636 370 HB THR 51 HB THR 51 46.384 -30.421 7.560 371 HG1 THR 51 HG1 THR 51 43.569 -30.149 7.762 372 1HG2 THR 51 HG21 THR 51 45.371 -30.139 9.848 373 2HG2 THR 51 HG22 THR 51 46.506 -28.866 9.363 374 3HG2 THR 51 HG23 THR 51 44.747 -28.562 9.282 375 H ALA 52 H ALA 52 48.098 -28.727 6.469 376 HA ALA 52 HA ALA 52 48.763 -26.369 8.009 377 1HB ALA 52 HB1 ALA 52 50.903 -26.610 6.735 378 2HB ALA 52 HB2 ALA 52 50.373 -28.223 7.277 379 3HB ALA 52 HB3 ALA 52 50.130 -27.734 5.603 380 H LEU 53 H LEU 53 48.032 -26.749 4.584 381 HA LEU 53 HA LEU 53 48.425 -23.959 4.088 382 1HB LEU 53 HB2 LEU 53 48.767 -25.980 2.640 383 2HB LEU 53 HB3 LEU 53 47.037 -26.058 2.359 384 HG LEU 53 HG LEU 53 47.130 -24.339 0.816 385 1HD1 LEU 53 HD11 LEU 53 49.487 -23.193 2.321 386 2HD1 LEU 53 HD12 LEU 53 48.880 -22.558 0.778 387 3HD1 LEU 53 HD13 LEU 53 47.844 -22.502 2.230 388 1HD2 LEU 53 HD21 LEU 53 50.083 -25.095 0.980 389 2HD2 LEU 53 HD22 LEU 53 48.792 -26.148 0.270 390 3HD2 LEU 53 HD23 LEU 53 49.196 -24.579 -0.478 391 H ALA 54 H ALA 54 45.493 -25.949 4.653 392 HA ALA 54 HA ALA 54 43.573 -23.872 4.418 393 1HB ALA 54 HB1 ALA 54 42.922 -26.240 4.621 394 2HB ALA 54 HB2 ALA 54 43.716 -26.373 6.204 395 3HB ALA 54 HB3 ALA 54 42.259 -25.372 6.012 396 H ASN 55 H ASN 55 45.602 -24.908 7.144 397 HA ASN 55 HA ASN 55 44.577 -23.158 9.104 398 1HB ASN 55 HB2 ASN 55 45.882 -25.139 9.666 399 2HB ASN 55 HB3 ASN 55 47.239 -24.582 8.707 400 1HD2 ASN 55 HD22 ASN 55 48.884 -23.969 9.823 401 2HD2 ASN 55 HD21 ASN 55 48.789 -23.261 11.446 402 H TYR 56 H TYR 56 47.575 -22.937 7.176 403 HA TYR 56 HA TYR 56 48.202 -20.203 7.731 404 1HB TYR 56 HB2 TYR 56 49.813 -21.599 6.722 405 2HB TYR 56 HB3 TYR 56 48.743 -22.074 5.412 406 HD1 TYR 56 HD1 TYR 56 51.285 -19.757 6.579 407 HD2 TYR 56 HD2 TYR 56 48.367 -20.535 3.494 408 HE1 TYR 56 HE1 TYR 56 52.615 -18.404 4.979 409 HE2 TYR 56 HE2 TYR 56 49.705 -19.171 1.892 410 HH TYR 56 HH TYR 56 52.832 -17.681 2.812 411 H GLN 57 H GLN 57 45.999 -21.386 5.151 412 HA GLN 57 HA GLN 57 45.507 -18.716 4.214 413 1HB GLN 57 HB2 GLN 57 43.950 -21.302 3.946 414 2HB GLN 57 HB3 GLN 57 43.328 -19.793 3.293 415 1HG GLN 57 HG2 GLN 57 46.053 -20.943 2.562 416 2HG GLN 57 HG3 GLN 57 44.586 -21.207 1.632 417 1HE2 GLN 57 HE22 GLN 57 46.764 -20.101 0.347 418 2HE2 GLN 57 HE21 GLN 57 46.444 -18.401 0.036 419 H MET 58 H MET 58 43.837 -20.657 6.728 420 HA MET 58 HA MET 58 41.757 -18.761 7.271 421 1HB MET 58 HB2 MET 58 41.644 -21.115 7.896 422 2HB MET 58 HB3 MET 58 43.029 -20.924 8.983 423 1HG MET 58 HG2 MET 58 41.653 -19.295 10.336 424 2HG MET 58 HG3 MET 58 40.302 -19.625 9.253 425 1HE MET 58 HE1 MET 58 42.082 -22.514 12.410 426 2HE MET 58 HE2 MET 58 42.991 -22.169 10.927 427 3HE MET 58 HE3 MET 58 42.634 -20.859 12.076 428 H ILE 59 H ILE 59 44.945 -19.277 8.894 429 HA ILE 59 HA ILE 59 44.590 -17.111 10.746 430 HB ILE 59 HB ILE 59 47.026 -18.634 9.753 431 1HG1 ILE 59 HG12 ILE 59 45.501 -18.865 12.407 432 2HG1 ILE 59 HG13 ILE 59 45.288 -19.981 11.062 433 1HG2 ILE 59 HG21 ILE 59 46.820 -16.911 12.250 434 2HG2 ILE 59 HG22 ILE 59 48.250 -17.740 11.569 435 3HG2 ILE 59 HG23 ILE 59 47.564 -16.349 10.751 436 1HD1 ILE 59 HD11 ILE 59 46.817 -20.930 12.702 437 2HD1 ILE 59 HD12 ILE 59 47.636 -20.622 11.150 438 3HD1 ILE 59 HD13 ILE 59 47.920 -19.564 12.548 439 H MET 60 H MET 60 46.006 -17.365 7.454 440 HA MET 60 HA MET 60 46.962 -14.696 7.410 441 1HB MET 60 HB2 MET 60 47.571 -16.582 5.845 442 2HB MET 60 HB3 MET 60 46.091 -16.224 4.948 443 1HG MET 60 HG2 MET 60 46.940 -13.927 4.578 444 2HG MET 60 HG3 MET 60 48.272 -14.252 5.717 445 1HE MET 60 HE1 MET 60 50.228 -15.297 5.441 446 2HE MET 60 HE2 MET 60 49.648 -16.937 5.036 447 3HE MET 60 HE3 MET 60 50.890 -16.142 4.033 448 H SER 61 H SER 61 43.802 -16.046 6.546 449 HA SER 61 HA SER 61 42.565 -13.663 5.544 450 1HB SER 61 HB2 SER 61 41.386 -16.069 7.013 451 2HB SER 61 HB3 SER 61 40.430 -14.768 6.277 452 HG SER 61 HG SER 61 42.225 -16.568 4.999 453 H GLU 62 H GLU 62 42.764 -14.958 8.901 454 HA GLU 62 HA GLU 62 41.508 -12.671 10.114 455 1HB GLU 62 HB2 GLU 62 41.750 -14.985 11.118 456 2HB GLU 62 HB3 GLU 62 43.467 -14.676 11.318 457 1HG GLU 62 HG2 GLU 62 42.327 -14.338 13.420 458 2HG GLU 62 HG3 GLU 62 42.991 -12.812 12.857 459 H TYR 63 H TYR 63 44.923 -13.471 9.548 460 HA TYR 63 HA TYR 63 46.147 -11.283 10.825 461 1HB TYR 63 HB2 TYR 63 47.452 -13.149 10.035 462 2HB TYR 63 HB3 TYR 63 46.944 -12.910 8.378 463 HD1 TYR 63 HD1 TYR 63 48.728 -10.998 11.094 464 HD2 TYR 63 HD2 TYR 63 48.307 -11.852 6.881 465 HE1 TYR 63 HE1 TYR 63 50.722 -9.602 10.602 466 HE2 TYR 63 HE2 TYR 63 50.339 -10.516 6.402 467 HH TYR 63 HH TYR 63 52.237 -8.965 9.027 468 H ASN 64 H ASN 64 45.056 -11.536 7.449 469 HA ASN 64 HA ASN 64 45.983 -8.935 6.727 470 1HB ASN 64 HB2 ASN 64 45.585 -10.750 5.094 471 2HB ASN 64 HB3 ASN 64 43.862 -10.742 5.467 472 1HD2 ASN 64 HD22 ASN 64 42.818 -9.896 3.689 473 2HD2 ASN 64 HD21 ASN 64 43.344 -8.450 2.843 474 H LEU 65 H LEU 65 42.809 -10.138 7.780 475 HA LEU 65 HA LEU 65 41.333 -7.713 7.580 476 1HB LEU 65 HB2 LEU 65 40.325 -9.947 7.796 477 2HB LEU 65 HB3 LEU 65 41.007 -10.123 9.411 478 HG LEU 65 HG LEU 65 39.587 -8.262 10.233 479 1HD1 LEU 65 HD11 LEU 65 37.716 -7.443 8.810 480 2HD1 LEU 65 HD12 LEU 65 39.287 -6.941 8.181 481 3HD1 LEU 65 HD13 LEU 65 38.417 -8.291 7.413 482 1HD2 LEU 65 HD21 LEU 65 38.055 -10.436 8.749 483 2HD2 LEU 65 HD22 LEU 65 38.794 -10.589 10.359 484 3HD2 LEU 65 HD23 LEU 65 37.448 -9.466 10.110 485 H TYR 66 H TYR 66 43.064 -9.107 10.394 486 HA TYR 66 HA TYR 66 42.470 -6.914 12.140 487 1HB TYR 66 HB2 TYR 66 43.245 -9.303 12.714 488 2HB TYR 66 HB3 TYR 66 44.876 -8.724 12.405 489 HD1 TYR 66 HD1 TYR 66 45.781 -6.790 13.864 490 HD2 TYR 66 HD2 TYR 66 42.077 -8.835 14.720 491 HE1 TYR 66 HE1 TYR 66 45.822 -5.906 16.197 492 HE2 TYR 66 HE2 TYR 66 42.131 -7.958 17.048 493 HH TYR 66 HH TYR 66 43.265 -6.687 18.580 494 H ARG 67 H ARG 67 45.310 -7.572 10.088 495 HA ARG 67 HA ARG 67 46.881 -5.298 10.810 496 1HB ARG 67 HB2 ARG 67 47.751 -7.237 9.623 497 2HB ARG 67 HB3 ARG 67 46.745 -6.879 8.211 498 1HG ARG 67 HG2 ARG 67 47.980 -4.860 7.748 499 2HG ARG 67 HG3 ARG 67 48.874 -4.974 9.278 500 1HD ARG 67 HD2 ARG 67 50.067 -6.920 8.556 501 2HD ARG 67 HD3 ARG 67 48.999 -7.149 7.159 502 HE ARG 67 HE ARG 67 50.165 -4.574 6.929 503 1HH1 ARG 67 HH21 ARG 67 51.422 -7.857 6.812 504 2HH1 ARG 67 HH22 ARG 67 52.497 -7.472 5.499 505 1HH2 ARG 67 HH11 ARG 67 51.619 -4.161 5.318 506 2HH2 ARG 67 HH12 ARG 67 52.643 -5.433 4.722 507 H ASN 68 H ASN 68 44.392 -5.616 8.252 508 HA ASN 68 HA ASN 68 44.432 -2.848 7.438 509 1HB ASN 68 HB2 ASN 68 43.422 -4.663 6.095 510 2HB ASN 68 HB3 ASN 68 42.227 -4.953 7.355 511 1HD2 ASN 68 HD22 ASN 68 40.267 -3.947 7.020 512 2HD2 ASN 68 HD21 ASN 68 40.065 -2.503 6.040 513 H ALA 69 H ALA 69 42.370 -4.512 9.834 514 HA ALA 69 HA ALA 69 40.936 -2.168 10.444 515 1HB ALA 69 HB1 ALA 69 41.373 -4.668 12.154 516 2HB ALA 69 HB2 ALA 69 40.077 -3.473 12.386 517 3HB ALA 69 HB3 ALA 69 40.117 -4.459 10.911 518 H GLN 70 H GLN 70 43.924 -3.406 11.940 519 HA GLN 70 HA GLN 70 44.106 -1.602 14.111 520 1HB GLN 70 HB2 GLN 70 45.514 -3.595 13.830 521 2HB GLN 70 HB3 GLN 70 46.273 -2.892 12.402 522 1HG GLN 70 HG2 GLN 70 47.758 -2.730 14.315 523 2HG GLN 70 HG3 GLN 70 47.299 -1.119 13.791 524 1HE2 GLN 70 HE22 GLN 70 45.762 0.105 15.157 525 2HE2 GLN 70 HE21 GLN 70 45.601 -0.347 16.857 526 H SER 71 H SER 71 44.993 -1.120 10.676 527 HA SER 71 HA SER 71 46.173 1.495 11.011 528 1HB SER 71 HB2 SER 71 46.461 0.028 9.007 529 2HB SER 71 HB3 SER 71 44.774 0.348 8.561 530 HG SER 71 HG SER 71 46.281 1.768 7.523 531 H SER 72 H SER 72 42.816 0.462 10.116 532 HA SER 72 HA SER 72 41.670 3.058 10.054 533 1HB SER 72 HB2 SER 72 40.373 0.413 10.810 534 2HB SER 72 HB3 SER 72 39.513 1.912 10.405 535 HG SER 72 HG SER 72 39.723 0.534 8.583 536 H ALA 73 H ALA 73 42.064 0.830 12.847 537 HA ALA 73 HA ALA 73 40.683 2.426 14.736 538 1HB ALA 73 HB1 ALA 73 41.847 1.038 16.403 539 2HB ALA 73 HB2 ALA 73 41.270 0.041 15.054 540 3HB ALA 73 HB3 ALA 73 42.991 0.479 15.164 541 H VAL 74 H VAL 74 44.067 2.645 13.640 542 HA VAL 74 HA VAL 74 44.833 4.717 15.541 543 HB VAL 74 HB VAL 74 46.032 3.462 13.051 544 1HG1 VAL 74 HG11 VAL 74 46.771 5.742 12.928 545 2HG1 VAL 74 HG12 VAL 74 47.184 5.755 14.665 546 3HG1 VAL 74 HG13 VAL 74 48.099 4.738 13.518 547 1HG2 VAL 74 HG21 VAL 74 46.966 3.569 15.953 548 2HG2 VAL 74 HG22 VAL 74 46.083 2.216 15.227 549 3HG2 VAL 74 HG23 VAL 74 47.694 2.631 14.629 550 H LYS 75 H LYS 75 43.869 4.664 12.073 551 HA LYS 75 HA LYS 75 44.024 7.413 11.485 552 1HB LYS 75 HB2 LYS 75 43.627 5.569 9.859 553 2HB LYS 75 HB3 LYS 75 41.997 5.361 10.510 554 1HG LYS 75 HG2 LYS 75 41.453 7.718 9.794 555 2HG LYS 75 HG3 LYS 75 43.077 7.849 9.121 556 1HD LYS 75 HD2 LYS 75 41.461 7.376 7.360 557 2HD LYS 75 HD3 LYS 75 42.591 6.039 7.530 558 1HE LYS 75 HE2 LYS 75 40.330 5.219 7.146 559 2HE LYS 75 HE3 LYS 75 40.909 4.703 8.726 560 1HZ LYS 75 HZ1 LYS 75 39.533 6.408 9.759 561 2HZ LYS 75 HZ2 LYS 75 39.112 7.037 8.302 562 3HZ LYS 75 HZ3 LYS 75 38.597 5.555 8.739 563 H SER 76 H SER 76 41.359 5.665 13.015 564 HA SER 76 HA SER 76 39.791 8.180 13.331 565 1HB SER 76 HB2 SER 76 38.943 5.269 13.443 566 2HB SER 76 HB3 SER 76 37.871 6.679 13.533 567 HG SER 76 HG SER 76 37.897 5.927 11.441 568 H MET 77 H MET 77 41.968 6.892 15.296 569 HA MET 77 HA MET 77 40.812 5.897 17.574 570 1HB MET 77 HB2 MET 77 43.260 6.116 17.068 571 2HB MET 77 HB3 MET 77 43.173 7.818 17.523 572 1HG MET 77 HG2 MET 77 42.448 7.145 19.814 573 2HG MET 77 HG3 MET 77 42.472 5.454 19.313 574 1HE MET 77 HE1 MET 77 46.186 8.130 20.060 575 2HE MET 77 HE2 MET 77 45.072 8.477 18.724 576 3HE MET 77 HE3 MET 77 44.504 8.583 20.407 577 H LYS 78 H LYS 78 41.246 9.389 16.931 578 HA LYS 78 HA LYS 78 40.172 10.336 19.412 579 1HB LYS 78 HB2 LYS 78 40.146 12.510 18.368 580 2HB LYS 78 HB3 LYS 78 41.633 11.659 17.958 581 1HG LYS 78 HG2 LYS 78 40.568 11.032 15.728 582 2HG LYS 78 HG3 LYS 78 39.215 12.089 16.143 583 1HD LYS 78 HD2 LYS 78 42.130 12.948 15.881 584 2HD LYS 78 HD3 LYS 78 40.877 13.159 14.650 585 1HE LYS 78 HE2 LYS 78 39.570 14.582 16.220 586 2HE LYS 78 HE3 LYS 78 40.840 14.403 17.437 587 1HZ LYS 78 HZ1 LYS 78 42.382 15.496 15.900 588 2HZ LYS 78 HZ2 LYS 78 41.213 15.658 14.770 589 3HZ LYS 78 HZ3 LYS 78 41.101 16.465 16.183 590 H ASP 79 H ASP 79 38.508 9.266 16.530 591 HA ASP 79 HA ASP 79 35.892 10.369 17.398 592 1HB ASP 79 HB2 ASP 79 36.698 8.583 15.062 593 2HB ASP 79 HB3 ASP 79 35.062 9.141 15.390 594 H ILE 80 H ILE 80 37.564 7.210 17.153 595 HA ILE 80 HA ILE 80 35.465 5.543 18.112 596 HB ILE 80 HB ILE 80 38.485 5.296 18.248 597 1HG1 ILE 80 HG12 ILE 80 36.473 3.808 16.488 598 2HG1 ILE 80 HG13 ILE 80 37.216 5.312 15.978 599 1HG2 ILE 80 HG21 ILE 80 37.605 3.864 20.027 600 2HG2 ILE 80 HG22 ILE 80 36.405 3.165 18.916 601 3HG2 ILE 80 HG23 ILE 80 38.140 2.858 18.697 602 1HD1 ILE 80 HD11 ILE 80 38.708 2.726 16.551 603 2HD1 ILE 80 HD12 ILE 80 38.413 3.484 14.982 604 3HD1 ILE 80 HD13 ILE 80 39.470 4.286 16.160 605 H ASP 81 H ASP 81 37.965 7.334 19.906 606 HA ASP 81 HA ASP 81 37.299 6.428 22.497 607 1HB ASP 81 HB2 ASP 81 39.360 7.642 21.904 608 2HB ASP 81 HB3 ASP 81 38.428 9.113 21.618 609 H SER 82 H SER 82 35.819 9.008 20.580 610 HA SER 82 HA SER 82 34.013 9.932 22.710 611 1HB SER 82 HB2 SER 82 34.866 11.381 20.843 612 2HB SER 82 HB3 SER 82 33.892 10.428 19.708 613 HG SER 82 HG SER 82 32.819 12.341 20.457 614 H SER 83 H SER 83 33.860 7.727 19.940 615 HA SER 83 HA SER 83 31.008 7.215 20.089 616 1HB SER 83 HB2 SER 83 33.194 5.721 18.590 617 2HB SER 83 HB3 SER 83 31.450 5.588 18.314 618 HG SER 83 HG SER 83 33.133 7.833 17.887 619 H ILE 84 H ILE 84 33.178 6.255 22.315 620 HA ILE 84 HA ILE 84 32.994 3.483 22.559 621 HB ILE 84 HB ILE 84 34.523 4.958 23.790 622 1HG1 ILE 84 HG12 ILE 84 32.954 3.116 25.642 623 2HG1 ILE 84 HG13 ILE 84 34.105 2.575 24.413 624 1HG2 ILE 84 HG21 ILE 84 32.218 5.544 25.700 625 2HG2 ILE 84 HG22 ILE 84 33.889 6.137 25.806 626 3HG2 ILE 84 HG23 ILE 84 32.846 6.695 24.502 627 1HD1 ILE 84 HD11 ILE 84 34.743 4.264 26.864 628 2HD1 ILE 84 HD12 ILE 84 35.199 2.581 26.558 629 3HD1 ILE 84 HD13 ILE 84 35.907 3.876 25.570 630 H LEU 85 H LEU 85 31.734 2.039 23.646 631 HA LEU 85 HA LEU 85 28.946 2.332 23.447 632 1HB LEU 85 HB2 LEU 85 30.389 0.250 23.292 633 2HB LEU 85 HB3 LEU 85 30.560 0.296 25.043 634 HG LEU 85 HG LEU 85 28.088 -0.055 25.262 635 1HD1 LEU 85 HD11 LEU 85 28.188 -0.358 22.232 636 2HD1 LEU 85 HD12 LEU 85 26.822 -0.826 23.267 637 3HD1 LEU 85 HD13 LEU 85 27.278 0.873 23.135 638 1HD2 LEU 85 HD21 LEU 85 29.523 -2.101 23.531 639 2HD2 LEU 85 HD22 LEU 85 29.665 -1.950 25.296 640 3HD2 LEU 85 HD23 LEU 85 28.115 -2.406 24.571 641 H GLU 86 H GLU 86 27.265 2.372 24.981 642 HA GLU 86 HA GLU 86 27.672 3.842 27.459 643 1HB GLU 86 HB2 GLU 86 25.228 2.496 26.235 644 2HB GLU 86 HB3 GLU 86 25.197 3.500 27.690 645 1HG GLU 86 HG2 GLU 86 26.100 5.420 26.402 646 2HG GLU 86 HG3 GLU 86 26.064 4.450 24.929 647 H HIS 87 H HIS 87 28.452 0.754 26.931 648 HA HIS 87 HA HIS 87 27.842 -0.236 29.669 649 1HB HIS 87 HB2 HIS 87 27.616 -1.907 27.135 650 2HB HIS 87 HB3 HIS 87 27.261 -2.423 28.778 651 HD1 HIS 87 HD1 HIS 87 25.382 -1.672 25.860 652 HD2 HIS 87 HD2 HIS 87 25.179 -0.498 29.896 653 HE1 HIS 87 HE1 HIS 87 22.990 -0.887 26.254 654 H HIS 88 H HIS 88 29.197 -2.397 29.957 655 HA HIS 88 HA HIS 88 31.938 -1.756 29.924 656 1HB HIS 88 HB2 HIS 88 32.274 -4.150 30.525 657 2HB HIS 88 HB3 HIS 88 31.103 -3.294 31.513 658 HD1 HIS 88 HD1 HIS 88 28.688 -4.355 31.652 659 HD2 HIS 88 HD2 HIS 88 31.209 -5.991 28.702 660 HE1 HIS 88 HE1 HIS 88 27.475 -6.395 30.727 661 H HIS 89 H HIS 89 33.605 -2.032 28.584 662 HA HIS 89 HA HIS 89 33.101 -2.553 25.785 663 1HB HIS 89 HB2 HIS 89 34.662 -0.824 26.813 664 2HB HIS 89 HB3 HIS 89 35.767 -2.143 27.195 665 HD1 HIS 89 HD1 HIS 89 37.070 -3.231 25.041 666 HD2 HIS 89 HD2 HIS 89 34.384 -0.084 24.241 667 HE1 HIS 89 HE1 HIS 89 37.541 -2.475 22.651 668 H HIS 90 H HIS 90 34.352 -4.029 24.440 669 HA HIS 90 HA HIS 90 34.515 -6.766 25.285 670 1HB HIS 90 HB2 HIS 90 35.826 -5.339 22.934 671 2HB HIS 90 HB3 HIS 90 35.690 -7.084 23.129 672 HD1 HIS 90 HD1 HIS 90 33.092 -8.091 22.983 673 HD2 HIS 90 HD2 HIS 90 33.752 -4.086 21.860 674 HE1 HIS 90 HE1 HIS 90 31.030 -7.368 21.671 675 H HIS 91 H HIS 91 36.250 -8.032 25.882 676 HA HIS 91 HA HIS 91 38.967 -6.996 26.218 677 1HB HIS 91 HB2 HIS 91 38.940 -7.273 28.688 678 2HB HIS 91 HB3 HIS 91 37.900 -5.972 28.143 679 HD1 HIS 91 HD1 HIS 91 35.208 -6.359 28.437 680 HD2 HIS 91 HD2 HIS 91 37.759 -9.381 29.900 681 HE1 HIS 91 HE1 HIS 91 33.771 -7.860 29.913 682 H HIS 92 H HIS 92 40.351 -8.646 27.374 683 HA HIS 92 HA HIS 92 39.478 -11.465 27.216 684 1HB HIS 92 HB2 HIS 92 40.280 -10.921 24.941 685 2HB HIS 92 HB3 HIS 92 41.804 -10.334 25.603 686 HD1 HIS 92 HD1 HIS 92 39.857 -13.663 25.245 687 HD2 HIS 92 HD2 HIS 92 43.690 -12.132 26.054 688 HE1 HIS 92 HE1 HIS 92 41.438 -15.669 25.250 Start of MODEL 11 1 1H MET 1 H1 MET 1 44.480 -34.737 14.864 2 2H MET 1 H2 MET 1 45.228 -35.267 16.219 3 3H MET 1 H3 MET 1 44.413 -33.849 16.240 4 HA MET 1 HA MET 1 46.859 -34.407 14.697 5 1HB MET 1 HB2 MET 1 45.321 -32.847 13.528 6 2HB MET 1 HB3 MET 1 45.313 -31.786 14.942 7 1HG MET 1 HG2 MET 1 47.759 -31.447 14.684 8 2HG MET 1 HG3 MET 1 47.763 -32.532 13.288 9 1HE MET 1 HE1 MET 1 49.035 -30.675 11.848 10 2HE MET 1 HE2 MET 1 48.503 -28.980 11.771 11 3HE MET 1 HE3 MET 1 49.055 -29.668 13.315 12 H SER 2 H SER 2 48.629 -34.427 15.956 13 HA SER 2 HA SER 2 48.713 -33.596 18.698 14 1HB SER 2 HB2 SER 2 50.994 -34.048 16.730 15 2HB SER 2 HB3 SER 2 51.129 -34.020 18.496 16 HG SER 2 HG SER 2 49.827 -35.870 18.599 17 H ASN 3 H ASN 3 50.064 -31.945 19.659 18 HA ASN 3 HA ASN 3 49.821 -29.330 18.551 19 1HB ASN 3 HB2 ASN 3 51.198 -28.642 20.463 20 2HB ASN 3 HB3 ASN 3 49.960 -29.781 20.964 21 1HD2 ASN 3 HD22 ASN 3 53.481 -29.347 20.475 22 2HD2 ASN 3 HD21 ASN 3 53.893 -30.788 21.392 23 HA PRO 4 HA PRO 4 53.599 -28.960 16.127 24 1HB PRO 4 HB2 PRO 4 54.121 -26.278 16.258 25 2HB PRO 4 HB3 PRO 4 52.727 -26.953 15.363 26 1HG PRO 4 HG2 PRO 4 52.766 -25.775 18.153 27 2HG PRO 4 HG3 PRO 4 51.614 -25.435 16.822 28 1HD PRO 4 HD2 PRO 4 51.097 -27.212 18.840 29 2HD PRO 4 HD3 PRO 4 50.456 -27.447 17.198 30 HA PRO 5 HA PRO 5 57.001 -29.058 19.036 31 1HB PRO 5 HB2 PRO 5 59.167 -28.252 17.559 32 2HB PRO 5 HB3 PRO 5 58.329 -29.815 17.301 33 1HG PRO 5 HG2 PRO 5 57.945 -27.212 15.789 34 2HG PRO 5 HG3 PRO 5 58.183 -28.856 15.116 35 1HD PRO 5 HD2 PRO 5 55.711 -27.751 15.380 36 2HD PRO 5 HD3 PRO 5 55.976 -29.496 15.659 37 H THR 6 H THR 6 58.708 -27.769 20.087 38 HA THR 6 HA THR 6 58.491 -24.804 19.910 39 HB THR 6 HB THR 6 58.469 -24.597 22.321 40 HG1 THR 6 HG1 THR 6 59.191 -26.598 23.013 41 1HG2 THR 6 HG21 THR 6 56.063 -26.192 21.369 42 2HG2 THR 6 HG22 THR 6 56.132 -25.052 22.728 43 3HG2 THR 6 HG23 THR 6 56.338 -24.461 21.070 44 HA PRO 7 HA PRO 7 62.802 -24.501 20.088 45 1HB PRO 7 HB2 PRO 7 62.446 -22.621 22.425 46 2HB PRO 7 HB3 PRO 7 63.413 -22.409 20.931 47 1HG PRO 7 HG2 PRO 7 61.001 -21.201 21.157 48 2HG PRO 7 HG3 PRO 7 61.479 -21.996 19.619 49 1HD PRO 7 HD2 PRO 7 59.693 -23.048 21.817 50 2HD PRO 7 HD3 PRO 7 59.458 -23.113 20.076 51 H LEU 8 H LEU 8 64.725 -25.021 21.174 52 HA LEU 8 HA LEU 8 64.616 -26.395 23.819 53 1HB LEU 8 HB2 LEU 8 65.582 -27.545 21.164 54 2HB LEU 8 HB3 LEU 8 65.940 -28.279 22.718 55 HG LEU 8 HG LEU 8 63.120 -27.921 21.624 56 1HD1 LEU 8 HD11 LEU 8 64.897 -30.389 21.738 57 2HD1 LEU 8 HD12 LEU 8 63.196 -30.337 21.216 58 3HD1 LEU 8 HD13 LEU 8 64.434 -29.494 20.273 59 1HD2 LEU 8 HD21 LEU 8 63.163 -28.060 24.096 60 2HD2 LEU 8 HD22 LEU 8 62.513 -29.543 23.396 61 3HD2 LEU 8 HD23 LEU 8 64.182 -29.516 24.005 62 H LEU 9 H LEU 9 66.948 -27.167 24.350 63 HA LEU 9 HA LEU 9 68.703 -24.929 24.566 64 1HB LEU 9 HB2 LEU 9 68.581 -26.752 26.197 65 2HB LEU 9 HB3 LEU 9 69.140 -27.911 24.992 66 HG LEU 9 HG LEU 9 71.342 -26.749 24.888 67 1HD1 LEU 9 HD11 LEU 9 70.703 -24.461 25.536 68 2HD1 LEU 9 HD12 LEU 9 70.216 -25.036 27.148 69 3HD1 LEU 9 HD13 LEU 9 71.919 -25.093 26.644 70 1HD2 LEU 9 HD21 LEU 9 72.130 -27.466 27.099 71 2HD2 LEU 9 HD22 LEU 9 70.458 -27.504 27.704 72 3HD2 LEU 9 HD23 LEU 9 70.978 -28.636 26.434 73 H ALA 10 H ALA 10 69.468 -24.011 22.741 74 HA ALA 10 HA ALA 10 71.422 -25.423 21.063 75 1HB ALA 10 HB1 ALA 10 69.224 -25.918 19.980 76 2HB ALA 10 HB2 ALA 10 68.885 -24.175 19.915 77 3HB ALA 10 HB3 ALA 10 70.223 -24.861 18.968 78 H ASP 11 H ASP 11 72.287 -23.811 19.355 79 HA ASP 11 HA ASP 11 73.561 -21.709 20.654 80 1HB ASP 11 HB2 ASP 11 74.277 -22.889 18.580 81 2HB ASP 11 HB3 ASP 11 73.044 -22.013 17.673 82 H TYR 12 H TYR 12 70.444 -21.522 19.004 83 HA TYR 12 HA TYR 12 70.330 -18.650 18.794 84 1HB TYR 12 HB2 TYR 12 67.947 -19.033 18.270 85 2HB TYR 12 HB3 TYR 12 69.061 -19.959 17.298 86 HD1 TYR 12 HD1 TYR 12 67.049 -20.405 20.498 87 HD2 TYR 12 HD2 TYR 12 68.436 -22.138 16.791 88 HE1 TYR 12 HE1 TYR 12 65.738 -22.459 20.960 89 HE2 TYR 12 HE2 TYR 12 67.061 -24.160 17.229 90 HH TYR 12 HH TYR 12 65.597 -25.193 18.643 91 H GLU 13 H GLU 13 70.259 -20.451 21.632 92 HA GLU 13 HA GLU 13 68.045 -19.607 23.046 93 1HB GLU 13 HB2 GLU 13 69.205 -20.227 25.053 94 2HB GLU 13 HB3 GLU 13 69.588 -21.368 23.775 95 1HG GLU 13 HG2 GLU 13 71.779 -20.191 23.410 96 2HG GLU 13 HG3 GLU 13 71.383 -19.076 24.715 97 H TRP 14 H TRP 14 70.713 -17.501 22.330 98 HA TRP 14 HA TRP 14 69.559 -15.400 24.129 99 1HB TRP 14 HB2 TRP 14 71.682 -14.762 24.886 100 2HB TRP 14 HB3 TRP 14 71.615 -16.502 25.079 101 HD1 TRP 14 HD1 TRP 14 73.008 -17.942 23.128 102 HE1 TRP 14 HE1 TRP 14 75.198 -17.384 21.919 103 HE3 TRP 14 HE3 TRP 14 73.156 -12.896 24.010 104 HZ2 TRP 14 HZ2 TRP 14 76.833 -15.054 21.429 105 HZ3 TRP 14 HZ3 TRP 14 75.062 -11.533 23.172 106 HH2 TRP 14 HH2 TRP 14 76.896 -12.596 21.881 107 H SER 15 H SER 15 70.711 -16.121 20.932 108 HA SER 15 HA SER 15 71.688 -13.659 20.066 109 1HB SER 15 HB2 SER 15 70.032 -15.621 18.432 110 2HB SER 15 HB3 SER 15 71.192 -14.430 17.811 111 HG SER 15 HG SER 15 72.157 -16.486 17.962 112 H GLY 16 H GLY 16 68.311 -14.640 20.374 113 1HA GLY 16 HA2 GLY 16 67.136 -12.419 18.930 114 2HA GLY 16 HA3 GLY 16 66.326 -13.545 20.036 115 H TYR 17 H TYR 17 68.060 -12.891 22.296 116 HA TYR 17 HA TYR 17 66.386 -11.060 23.600 117 1HB TYR 17 HB2 TYR 17 67.899 -12.784 24.628 118 2HB TYR 17 HB3 TYR 17 69.265 -11.719 24.329 119 HD1 TYR 17 HD1 TYR 17 66.064 -12.101 26.197 120 HD2 TYR 17 HD2 TYR 17 69.722 -9.841 25.796 121 HE1 TYR 17 HE1 TYR 17 65.593 -10.946 28.358 122 HE2 TYR 17 HE2 TYR 17 69.248 -8.691 27.952 123 HH TYR 17 HH TYR 17 67.801 -8.468 29.715 124 H LEU 18 H LEU 18 69.434 -10.400 21.957 125 HA LEU 18 HA LEU 18 69.770 -7.662 22.745 126 1HB LEU 18 HB2 LEU 18 70.822 -9.347 20.432 127 2HB LEU 18 HB3 LEU 18 71.249 -7.662 20.615 128 HG LEU 18 HG LEU 18 73.013 -9.078 21.417 129 1HD1 LEU 18 HD11 LEU 18 71.739 -7.651 23.783 130 2HD1 LEU 18 HD12 LEU 18 73.453 -8.038 23.549 131 3HD1 LEU 18 HD13 LEU 18 72.665 -6.863 22.484 132 1HD2 LEU 18 HD21 LEU 18 72.903 -10.451 23.383 133 2HD2 LEU 18 HD22 LEU 18 71.202 -10.063 23.650 134 3HD2 LEU 18 HD23 LEU 18 71.690 -11.022 22.227 135 H THR 19 H THR 19 67.506 -9.014 20.559 136 HA THR 19 HA THR 19 66.857 -6.304 19.440 137 HB THR 19 HB THR 19 66.138 -9.015 18.274 138 HG1 THR 19 HG1 THR 19 67.723 -8.531 16.753 139 1HG2 THR 19 HG21 THR 19 65.948 -6.183 17.136 140 2HG2 THR 19 HG22 THR 19 65.648 -7.678 16.220 141 3HG2 THR 19 HG23 THR 19 64.579 -7.237 17.555 142 H GLY 20 H GLY 20 65.585 -9.146 21.108 143 1HA GLY 20 HA2 GLY 20 62.856 -8.690 21.295 144 2HA GLY 20 HA3 GLY 20 63.860 -9.341 22.590 145 H ILE 21 H ILE 21 65.419 -7.079 23.175 146 HA ILE 21 HA ILE 21 63.861 -5.551 24.934 147 HB ILE 21 HB ILE 21 66.305 -5.907 25.045 148 1HG1 ILE 21 HG12 ILE 21 67.012 -3.724 25.861 149 2HG1 ILE 21 HG13 ILE 21 65.645 -2.933 25.086 150 1HG2 ILE 21 HG21 ILE 21 66.874 -5.528 22.655 151 2HG2 ILE 21 HG22 ILE 21 66.561 -3.791 22.866 152 3HG2 ILE 21 HG23 ILE 21 67.877 -4.578 23.752 153 1HD1 ILE 21 HD11 ILE 21 64.080 -4.085 26.596 154 2HD1 ILE 21 HD12 ILE 21 65.415 -5.047 27.280 155 3HD1 ILE 21 HD13 ILE 21 65.347 -3.292 27.541 156 H GLY 22 H GLY 22 64.356 -4.984 21.511 157 1HA GLY 22 HA2 GLY 22 62.960 -2.333 21.603 158 2HA GLY 22 HA3 GLY 22 63.857 -3.020 20.244 159 H ARG 23 H ARG 23 62.738 -5.607 20.149 160 HA ARG 23 HA ARG 23 60.286 -5.247 18.753 161 1HB ARG 23 HB2 ARG 23 61.966 -7.154 18.546 162 2HB ARG 23 HB3 ARG 23 61.298 -7.817 20.031 163 1HG ARG 23 HG2 ARG 23 60.403 -8.946 18.050 164 2HG ARG 23 HG3 ARG 23 59.123 -8.167 18.964 165 1HD ARG 23 HD2 ARG 23 58.790 -7.873 16.558 166 2HD ARG 23 HD3 ARG 23 59.035 -6.324 17.345 167 HE ARG 23 HE ARG 23 61.168 -7.803 15.832 168 1HH1 ARG 23 HH21 ARG 23 59.623 -4.650 16.446 169 2HH1 ARG 23 HH22 ARG 23 60.888 -3.836 15.573 170 1HH2 ARG 23 HH11 ARG 23 62.653 -6.636 14.718 171 2HH2 ARG 23 HH12 ARG 23 62.509 -4.909 14.606 172 H ALA 24 H ALA 24 60.749 -5.539 22.194 173 HA ALA 24 HA ALA 24 58.073 -6.228 22.848 174 1HB ALA 24 HB1 ALA 24 60.085 -4.497 24.385 175 2HB ALA 24 HB2 ALA 24 58.654 -5.284 25.085 176 3HB ALA 24 HB3 ALA 24 59.986 -6.272 24.460 177 H PHE 25 H PHE 25 59.018 -3.334 21.271 178 HA PHE 25 HA PHE 25 56.646 -1.889 22.195 179 1HB PHE 25 HB2 PHE 25 58.589 -1.452 19.893 180 2HB PHE 25 HB3 PHE 25 57.178 -0.439 20.145 181 HD1 PHE 25 HD1 PHE 25 60.621 -0.630 20.840 182 HD2 PHE 25 HD2 PHE 25 56.864 0.516 22.620 183 HE1 PHE 25 HE1 PHE 25 61.825 0.835 22.438 184 HE2 PHE 25 HE2 PHE 25 58.071 1.994 24.209 185 HZ PHE 25 HZ PHE 25 60.554 2.153 24.124 186 H ASP 26 H ASP 26 56.997 -4.620 20.320 187 HA ASP 26 HA ASP 26 54.488 -4.183 18.736 188 1HB ASP 26 HB2 ASP 26 56.908 -5.930 18.206 189 2HB ASP 26 HB3 ASP 26 55.507 -5.761 17.145 190 H ASP 27 H ASP 27 56.103 -6.331 21.035 191 HA ASP 27 HA ASP 27 55.115 -8.777 20.279 192 1HB ASP 27 HB2 ASP 27 55.927 -9.644 22.204 193 2HB ASP 27 HB3 ASP 27 56.855 -8.161 22.076 194 H GLY 28 H GLY 28 53.204 -6.368 21.920 195 1HA GLY 28 HA2 GLY 28 51.032 -8.038 22.812 196 2HA GLY 28 HA3 GLY 28 50.986 -6.296 22.532 197 H VAL 29 H VAL 29 51.934 -7.095 19.612 198 HA VAL 29 HA VAL 29 49.305 -8.050 18.553 199 HB VAL 29 HB VAL 29 50.782 -5.952 16.992 200 1HG1 VAL 29 HG11 VAL 29 47.853 -6.718 17.406 201 2HG1 VAL 29 HG12 VAL 29 48.440 -5.465 16.287 202 3HG1 VAL 29 HG13 VAL 29 48.865 -7.164 16.021 203 1HG2 VAL 29 HG21 VAL 29 49.422 -4.152 18.009 204 2HG2 VAL 29 HG22 VAL 29 48.897 -5.273 19.286 205 3HG2 VAL 29 HG23 VAL 29 50.612 -4.804 19.134 206 H LYS 30 H LYS 30 52.795 -7.884 18.097 207 HA LYS 30 HA LYS 30 53.048 -9.433 15.734 208 1HB LYS 30 HB2 LYS 30 54.866 -8.228 16.907 209 2HB LYS 30 HB3 LYS 30 54.859 -9.433 18.190 210 1HG LYS 30 HG2 LYS 30 55.214 -10.393 15.350 211 2HG LYS 30 HG3 LYS 30 56.535 -9.478 16.068 212 1HD LYS 30 HD2 LYS 30 56.758 -11.024 17.910 213 2HD LYS 30 HD3 LYS 30 55.363 -11.964 17.395 214 1HE LYS 30 HE2 LYS 30 57.922 -11.604 15.764 215 2HE LYS 30 HE3 LYS 30 57.578 -12.980 16.816 216 1HZ LYS 30 HZ1 LYS 30 55.578 -13.398 15.409 217 2HZ LYS 30 HZ2 LYS 30 56.079 -12.248 14.352 218 3HZ LYS 30 HZ3 LYS 30 56.971 -13.581 14.577 219 H ASP 31 H ASP 31 51.883 -10.353 18.821 220 HA ASP 31 HA ASP 31 51.981 -13.097 18.979 221 1HB ASP 31 HB2 ASP 31 50.934 -11.539 20.587 222 2HB ASP 31 HB3 ASP 31 49.673 -11.146 19.416 223 H LEU 32 H LEU 32 49.846 -11.280 16.757 224 HA LEU 32 HA LEU 32 48.528 -13.709 15.741 225 1HB LEU 32 HB2 LEU 32 47.789 -11.134 15.831 226 2HB LEU 32 HB3 LEU 32 48.659 -11.018 14.324 227 HG LEU 32 HG LEU 32 46.187 -12.686 14.953 228 1HD1 LEU 32 HD11 LEU 32 45.169 -11.263 13.210 229 2HD1 LEU 32 HD12 LEU 32 45.866 -10.273 14.501 230 3HD1 LEU 32 HD13 LEU 32 46.724 -10.442 12.957 231 1HD2 LEU 32 HD21 LEU 32 47.416 -14.102 13.442 232 2HD2 LEU 32 HD22 LEU 32 46.162 -13.296 12.510 233 3HD2 LEU 32 HD23 LEU 32 47.842 -12.721 12.403 234 H ASN 33 H ASN 33 51.153 -11.572 14.738 235 HA ASN 33 HA ASN 33 51.704 -12.865 12.199 236 1HB ASN 33 HB2 ASN 33 52.431 -10.592 12.581 237 2HB ASN 33 HB3 ASN 33 53.358 -11.060 14.003 238 1HD2 ASN 33 HD22 ASN 33 53.245 -11.426 10.433 239 2HD2 ASN 33 HD21 ASN 33 54.969 -11.739 10.310 240 H LYS 34 H LYS 34 52.782 -13.508 15.513 241 HA LYS 34 HA LYS 34 54.635 -15.643 14.898 242 1HB LYS 34 HB2 LYS 34 54.399 -14.445 17.119 243 2HB LYS 34 HB3 LYS 34 52.921 -15.346 17.416 244 1HG LYS 34 HG2 LYS 34 55.577 -16.721 16.814 245 2HG LYS 34 HG3 LYS 34 55.160 -16.167 18.431 246 1HD LYS 34 HD2 LYS 34 53.190 -17.650 18.489 247 2HD LYS 34 HD3 LYS 34 53.574 -18.254 16.868 248 1HE LYS 34 HE2 LYS 34 55.823 -18.981 17.699 249 2HE LYS 34 HE3 LYS 34 55.334 -18.501 19.328 250 1HZ LYS 34 HZ1 LYS 34 54.087 -20.656 17.674 251 2HZ LYS 34 HZ2 LYS 34 54.941 -20.842 19.041 252 3HZ LYS 34 HZ3 LYS 34 53.474 -20.134 19.107 253 H GLN 35 H GLN 35 51.133 -15.679 15.582 254 HA GLN 35 HA GLN 35 50.769 -18.509 15.321 255 1HB GLN 35 HB2 GLN 35 48.841 -16.221 14.738 256 2HB GLN 35 HB3 GLN 35 48.383 -17.918 14.757 257 1HG GLN 35 HG2 GLN 35 48.824 -18.136 17.083 258 2HG GLN 35 HG3 GLN 35 49.697 -16.628 17.173 259 1HE2 GLN 35 HE22 GLN 35 48.551 -14.874 17.892 260 2HE2 GLN 35 HE21 GLN 35 46.795 -14.808 17.980 261 H LEU 36 H LEU 36 50.786 -15.943 12.874 262 HA LEU 36 HA LEU 36 50.153 -17.706 10.664 263 1HB LEU 36 HB2 LEU 36 49.697 -15.281 10.786 264 2HB LEU 36 HB3 LEU 36 51.430 -14.989 10.580 265 HG LEU 36 HG LEU 36 51.398 -16.123 8.403 266 1HD1 LEU 36 HD11 LEU 36 49.661 -17.824 8.545 267 2HD1 LEU 36 HD12 LEU 36 48.434 -16.583 8.854 268 3HD1 LEU 36 HD13 LEU 36 49.230 -16.646 7.287 269 1HD2 LEU 36 HD21 LEU 36 49.995 -14.425 7.273 270 2HD2 LEU 36 HD22 LEU 36 49.046 -14.252 8.752 271 3HD2 LEU 36 HD23 LEU 36 50.735 -13.696 8.705 272 H GLN 37 H GLN 37 53.285 -16.478 11.930 273 HA GLN 37 HA GLN 37 54.893 -17.909 9.990 274 1HB GLN 37 HB2 GLN 37 55.449 -16.871 12.806 275 2HB GLN 37 HB3 GLN 37 56.684 -17.646 11.808 276 1HG GLN 37 HG2 GLN 37 56.485 -15.945 10.089 277 2HG GLN 37 HG3 GLN 37 55.162 -15.150 10.930 278 1HE2 GLN 37 HE22 GLN 37 57.972 -14.187 10.166 279 2HE2 GLN 37 HE21 GLN 37 58.609 -13.586 11.689 280 H ASP 38 H ASP 38 53.457 -18.861 13.094 281 HA ASP 38 HA ASP 38 54.605 -21.483 13.245 282 1HB ASP 38 HB2 ASP 38 53.253 -20.044 14.986 283 2HB ASP 38 HB3 ASP 38 51.838 -20.808 14.276 284 H ALA 39 H ALA 39 51.591 -20.270 11.734 285 HA ALA 39 HA ALA 39 50.769 -22.738 10.588 286 1HB ALA 39 HB1 ALA 39 50.357 -20.194 9.005 287 2HB ALA 39 HB2 ALA 39 49.256 -21.550 9.311 288 3HB ALA 39 HB3 ALA 39 49.580 -20.298 10.575 289 H GLN 40 H GLN 40 52.904 -20.218 9.338 290 HA GLN 40 HA GLN 40 53.504 -21.475 6.843 291 1HB GLN 40 HB2 GLN 40 53.813 -18.989 7.644 292 2HB GLN 40 HB3 GLN 40 55.327 -19.544 8.341 293 1HG GLN 40 HG2 GLN 40 56.133 -20.262 6.122 294 2HG GLN 40 HG3 GLN 40 54.575 -19.849 5.400 295 1HE2 GLN 40 HE22 GLN 40 57.441 -18.425 7.069 296 2HE2 GLN 40 HE21 GLN 40 57.215 -16.832 6.361 297 H ALA 41 H ALA 41 54.900 -21.980 10.055 298 HA ALA 41 HA ALA 41 57.045 -23.710 8.997 299 1HB ALA 41 HB1 ALA 41 57.575 -24.146 11.297 300 2HB ALA 41 HB2 ALA 41 57.401 -22.402 11.028 301 3HB ALA 41 HB3 ALA 41 56.096 -23.308 11.848 302 H ASN 42 H ASN 42 53.779 -24.331 10.351 303 HA ASN 42 HA ASN 42 54.124 -27.218 10.128 304 1HB ASN 42 HB2 ASN 42 51.553 -25.510 10.101 305 2HB ASN 42 HB3 ASN 42 51.620 -27.236 9.991 306 1HD2 ASN 42 HD22 ASN 42 52.556 -24.561 12.223 307 2HD2 ASN 42 HD21 ASN 42 52.391 -25.561 13.641 308 H LEU 43 H LEU 43 53.163 -24.589 7.932 309 HA LEU 43 HA LEU 43 52.942 -26.248 5.633 310 1HB LEU 43 HB2 LEU 43 52.168 -23.697 6.173 311 2HB LEU 43 HB3 LEU 43 53.735 -23.335 5.478 312 HG LEU 43 HG LEU 43 53.145 -24.675 3.493 313 1HD1 LEU 43 HD11 LEU 43 50.575 -24.950 3.281 314 2HD1 LEU 43 HD12 LEU 43 51.369 -26.085 4.339 315 3HD1 LEU 43 HD13 LEU 43 50.542 -24.661 5.064 316 1HD2 LEU 43 HD21 LEU 43 52.857 -22.232 3.424 317 2HD2 LEU 43 HD22 LEU 43 51.627 -23.099 2.472 318 3HD2 LEU 43 HD23 LEU 43 51.196 -22.425 4.066 319 H THR 44 H THR 44 55.758 -24.599 7.091 320 HA THR 44 HA THR 44 57.468 -25.099 4.884 321 HB THR 44 HB THR 44 58.159 -24.875 7.825 322 HG1 THR 44 HG1 THR 44 57.375 -23.017 6.651 323 1HG2 THR 44 HG21 THR 44 59.920 -25.208 5.407 324 2HG2 THR 44 HG22 THR 44 60.481 -24.442 6.940 325 3HG2 THR 44 HG23 THR 44 59.916 -26.127 6.939 326 H LYS 45 H LYS 45 56.619 -27.124 7.656 327 HA LYS 45 HA LYS 45 58.308 -29.379 7.018 328 1HB LYS 45 HB2 LYS 45 55.709 -29.108 8.560 329 2HB LYS 45 HB3 LYS 45 56.626 -30.617 8.430 330 1HG LYS 45 HG2 LYS 45 58.606 -29.464 9.454 331 2HG LYS 45 HG3 LYS 45 57.624 -28.009 9.640 332 1HD LYS 45 HD2 LYS 45 57.680 -29.108 11.751 333 2HD LYS 45 HD3 LYS 45 56.041 -29.285 11.104 334 1HE LYS 45 HE2 LYS 45 56.573 -31.597 10.371 335 2HE LYS 45 HE3 LYS 45 58.243 -31.399 10.917 336 1HZ LYS 45 HZ1 LYS 45 55.857 -31.329 12.690 337 2HZ LYS 45 HZ2 LYS 45 56.906 -32.573 12.565 338 3HZ LYS 45 HZ3 LYS 45 57.408 -31.155 13.189 339 H ASN 46 H ASN 46 55.137 -28.489 5.724 340 HA ASN 46 HA ASN 46 55.694 -30.152 3.434 341 1HB ASN 46 HB2 ASN 46 54.560 -31.651 5.045 342 2HB ASN 46 HB3 ASN 46 53.220 -30.531 5.043 343 1HD2 ASN 46 HD22 ASN 46 53.208 -33.385 4.244 344 2HD2 ASN 46 HD21 ASN 46 52.886 -33.459 2.517 345 HA PRO 47 HA PRO 47 54.551 -25.894 2.437 346 1HB PRO 47 HB2 PRO 47 55.442 -26.983 -0.199 347 2HB PRO 47 HB3 PRO 47 55.625 -25.319 0.498 348 1HG PRO 47 HG2 PRO 47 57.661 -27.126 0.689 349 2HG PRO 47 HG3 PRO 47 57.233 -26.070 2.074 350 1HD PRO 47 HD2 PRO 47 56.696 -28.983 1.728 351 2HD PRO 47 HD3 PRO 47 56.904 -28.029 3.196 352 H SER 48 H SER 48 53.114 -28.614 0.517 353 HA SER 48 HA SER 48 50.683 -27.006 0.641 354 1HB SER 48 HB2 SER 48 50.139 -27.724 -1.538 355 2HB SER 48 HB3 SER 48 51.782 -27.072 -1.523 356 HG SER 48 HG SER 48 51.008 -29.815 -1.646 357 H ASP 49 H ASP 49 51.466 -28.819 2.633 358 HA ASP 49 HA ASP 49 49.630 -31.091 2.595 359 1HB ASP 49 HB2 ASP 49 51.272 -31.215 4.185 360 2HB ASP 49 HB3 ASP 49 51.139 -29.604 4.771 361 HA PRO 50 HA PRO 50 46.294 -28.323 2.237 362 1HB PRO 50 HB2 PRO 50 44.156 -29.956 2.598 363 2HB PRO 50 HB3 PRO 50 45.219 -29.915 1.129 364 1HG PRO 50 HG2 PRO 50 45.263 -31.834 3.500 365 2HG PRO 50 HG3 PRO 50 45.394 -32.244 1.758 366 1HD PRO 50 HD2 PRO 50 47.580 -31.963 3.444 367 2HD PRO 50 HD3 PRO 50 47.647 -31.565 1.694 368 H THR 51 H THR 51 46.555 -30.071 5.298 369 HA THR 51 HA THR 51 44.560 -28.302 6.679 370 HB THR 51 HB THR 51 46.439 -30.480 7.489 371 HG1 THR 51 HG1 THR 51 44.415 -31.066 6.672 372 1HG2 THR 51 HG21 THR 51 46.631 -28.952 9.335 373 2HG2 THR 51 HG22 THR 51 44.868 -28.666 9.319 374 3HG2 THR 51 HG23 THR 51 45.523 -30.250 9.815 375 H ALA 52 H ALA 52 48.131 -28.716 6.412 376 HA ALA 52 HA ALA 52 48.811 -26.380 7.986 377 1HB ALA 52 HB1 ALA 52 50.138 -27.706 5.537 378 2HB ALA 52 HB2 ALA 52 50.929 -26.593 6.670 379 3HB ALA 52 HB3 ALA 52 50.414 -28.217 7.199 380 H LEU 53 H LEU 53 48.029 -26.711 4.565 381 HA LEU 53 HA LEU 53 48.388 -23.908 4.117 382 1HB LEU 53 HB2 LEU 53 48.739 -25.892 2.620 383 2HB LEU 53 HB3 LEU 53 47.006 -25.983 2.355 384 HG LEU 53 HG LEU 53 47.061 -24.220 0.858 385 1HD1 LEU 53 HD11 LEU 53 49.430 -23.094 2.359 386 2HD1 LEU 53 HD12 LEU 53 48.799 -22.429 0.837 387 3HD1 LEU 53 HD13 LEU 53 47.778 -22.419 2.301 388 1HD2 LEU 53 HD21 LEU 53 49.106 -24.411 -0.474 389 2HD2 LEU 53 HD22 LEU 53 50.021 -24.959 0.956 390 3HD2 LEU 53 HD23 LEU 53 48.724 -26.002 0.237 391 H ALA 54 H ALA 54 45.485 -25.941 4.698 392 HA ALA 54 HA ALA 54 43.547 -23.871 4.516 393 1HB ALA 54 HB1 ALA 54 43.740 -26.404 6.257 394 2HB ALA 54 HB2 ALA 54 42.279 -25.395 6.142 395 3HB ALA 54 HB3 ALA 54 42.886 -26.232 4.707 396 H ASN 55 H ASN 55 45.624 -24.934 7.198 397 HA ASN 55 HA ASN 55 44.617 -23.205 9.185 398 1HB ASN 55 HB2 ASN 55 45.947 -25.186 9.713 399 2HB ASN 55 HB3 ASN 55 47.287 -24.607 8.747 400 1HD2 ASN 55 HD22 ASN 55 48.930 -23.928 9.834 401 2HD2 ASN 55 HD21 ASN 55 48.838 -23.233 11.463 402 H TYR 56 H TYR 56 47.588 -22.942 7.218 403 HA TYR 56 HA TYR 56 48.208 -20.213 7.801 404 1HB TYR 56 HB2 TYR 56 49.796 -21.620 6.744 405 2HB TYR 56 HB3 TYR 56 48.717 -22.012 5.414 406 HD1 TYR 56 HD1 TYR 56 48.559 -20.528 3.491 407 HD2 TYR 56 HD2 TYR 56 51.166 -19.656 6.816 408 HE1 TYR 56 HE1 TYR 56 50.026 -19.169 1.995 409 HE2 TYR 56 HE2 TYR 56 52.612 -18.295 5.327 410 HH TYR 56 HH TYR 56 53.030 -17.617 3.185 411 H GLN 57 H GLN 57 45.975 -21.373 5.231 412 HA GLN 57 HA GLN 57 45.443 -18.685 4.349 413 1HB GLN 57 HB2 GLN 57 43.918 -21.287 4.033 414 2HB GLN 57 HB3 GLN 57 43.269 -19.766 3.433 415 1HG GLN 57 HG2 GLN 57 45.981 -20.894 2.630 416 2HG GLN 57 HG3 GLN 57 44.505 -21.055 1.686 417 1HE2 GLN 57 HE22 GLN 57 47.275 -19.456 1.466 418 2HE2 GLN 57 HE21 GLN 57 46.703 -17.898 0.895 419 H MET 58 H MET 58 43.844 -20.682 6.852 420 HA MET 58 HA MET 58 41.739 -18.818 7.432 421 1HB MET 58 HB2 MET 58 41.605 -21.162 7.935 422 2HB MET 58 HB3 MET 58 42.998 -21.089 9.017 423 1HG MET 58 HG2 MET 58 40.455 -19.525 9.498 424 2HG MET 58 HG3 MET 58 40.627 -21.192 10.018 425 1HE MET 58 HE1 MET 58 41.985 -22.050 12.043 426 2HE MET 58 HE2 MET 58 43.478 -21.571 11.202 427 3HE MET 58 HE3 MET 58 43.218 -21.092 12.890 428 H ILE 59 H ILE 59 44.952 -19.303 9.007 429 HA ILE 59 HA ILE 59 44.580 -17.150 10.885 430 HB ILE 59 HB ILE 59 47.001 -18.658 9.833 431 1HG1 ILE 59 HG12 ILE 59 45.541 -18.905 12.520 432 2HG1 ILE 59 HG13 ILE 59 45.275 -19.997 11.163 433 1HG2 ILE 59 HG21 ILE 59 48.287 -17.790 11.593 434 2HG2 ILE 59 HG22 ILE 59 47.570 -16.381 10.833 435 3HG2 ILE 59 HG23 ILE 59 46.891 -16.970 12.354 436 1HD1 ILE 59 HD11 ILE 59 47.960 -19.635 12.528 437 2HD1 ILE 59 HD12 ILE 59 46.833 -20.979 12.750 438 3HD1 ILE 59 HD13 ILE 59 47.578 -20.690 11.155 439 H MET 60 H MET 60 45.987 -17.395 7.599 440 HA MET 60 HA MET 60 46.898 -14.711 7.512 441 1HB MET 60 HB2 MET 60 47.529 -16.601 5.954 442 2HB MET 60 HB3 MET 60 46.023 -16.290 5.081 443 1HG MET 60 HG2 MET 60 46.821 -13.978 4.673 444 2HG MET 60 HG3 MET 60 48.194 -14.279 5.772 445 1HE MET 60 HE1 MET 60 50.777 -16.142 3.979 446 2HE MET 60 HE2 MET 60 50.196 -15.260 5.395 447 3HE MET 60 HE3 MET 60 49.613 -16.926 5.077 448 H SER 61 H SER 61 43.719 -16.114 6.819 449 HA SER 61 HA SER 61 42.459 -13.729 5.825 450 1HB SER 61 HB2 SER 61 41.302 -16.112 7.340 451 2HB SER 61 HB3 SER 61 40.345 -14.800 6.629 452 HG SER 61 HG SER 61 42.099 -16.602 5.290 453 H GLU 62 H GLU 62 42.921 -14.930 9.200 454 HA GLU 62 HA GLU 62 41.720 -12.590 10.418 455 1HB GLU 62 HB2 GLU 62 43.682 -14.654 11.531 456 2HB GLU 62 HB3 GLU 62 42.925 -13.362 12.471 457 1HG GLU 62 HG2 GLU 62 40.664 -14.284 11.703 458 2HG GLU 62 HG3 GLU 62 41.537 -15.699 11.112 459 H TYR 63 H TYR 63 45.099 -13.392 9.629 460 HA TYR 63 HA TYR 63 46.296 -11.042 10.716 461 1HB TYR 63 HB2 TYR 63 47.618 -12.977 10.108 462 2HB TYR 63 HB3 TYR 63 47.098 -12.880 8.435 463 HD1 TYR 63 HD1 TYR 63 48.994 -10.879 11.003 464 HD2 TYR 63 HD2 TYR 63 48.336 -11.785 6.833 465 HE1 TYR 63 HE1 TYR 63 50.952 -9.470 10.382 466 HE2 TYR 63 HE2 TYR 63 50.300 -10.423 6.215 467 HH TYR 63 HH TYR 63 52.319 -8.758 8.697 468 H ASN 64 H ASN 64 45.032 -11.669 7.447 469 HA ASN 64 HA ASN 64 45.836 -9.155 6.385 470 1HB ASN 64 HB2 ASN 64 45.366 -11.140 4.997 471 2HB ASN 64 HB3 ASN 64 43.659 -11.080 5.449 472 1HD2 ASN 64 HD22 ASN 64 46.232 -9.408 3.624 473 2HD2 ASN 64 HD21 ASN 64 45.115 -8.481 2.637 474 H LEU 65 H LEU 65 42.860 -10.261 7.983 475 HA LEU 65 HA LEU 65 41.307 -7.868 7.679 476 1HB LEU 65 HB2 LEU 65 40.457 -10.109 8.255 477 2HB LEU 65 HB3 LEU 65 41.180 -10.003 9.854 478 HG LEU 65 HG LEU 65 39.158 -7.946 8.869 479 1HD1 LEU 65 HD11 LEU 65 38.575 -10.586 10.277 480 2HD1 LEU 65 HD12 LEU 65 37.394 -9.301 9.928 481 3HD1 LEU 65 HD13 LEU 65 38.155 -10.180 8.597 482 1HD2 LEU 65 HD21 LEU 65 38.602 -7.799 11.306 483 2HD2 LEU 65 HD22 LEU 65 39.920 -8.934 11.662 484 3HD2 LEU 65 HD23 LEU 65 40.262 -7.325 10.988 485 H TYR 66 H TYR 66 43.500 -8.932 10.304 486 HA TYR 66 HA TYR 66 43.451 -6.540 11.856 487 1HB TYR 66 HB2 TYR 66 44.543 -8.226 12.948 488 2HB TYR 66 HB3 TYR 66 45.314 -8.841 11.504 489 HD1 TYR 66 HD1 TYR 66 47.605 -8.515 11.183 490 HD2 TYR 66 HD2 TYR 66 45.423 -5.792 13.724 491 HE1 TYR 66 HE1 TYR 66 49.725 -7.330 11.738 492 HE2 TYR 66 HE2 TYR 66 47.535 -4.581 14.234 493 HH TYR 66 HH TYR 66 49.803 -4.470 13.894 494 H ARG 67 H ARG 67 45.515 -7.354 9.073 495 HA ARG 67 HA ARG 67 46.965 -4.927 8.910 496 1HB ARG 67 HB2 ARG 67 46.778 -7.322 7.434 497 2HB ARG 67 HB3 ARG 67 46.261 -6.109 6.281 498 1HG ARG 67 HG2 ARG 67 48.607 -6.450 6.033 499 2HG ARG 67 HG3 ARG 67 48.401 -4.848 6.754 500 1HD ARG 67 HD2 ARG 67 49.014 -5.745 8.978 501 2HD ARG 67 HD3 ARG 67 48.972 -7.390 8.352 502 HE ARG 67 HE ARG 67 51.075 -7.158 7.478 503 1HH1 ARG 67 HH21 ARG 67 50.018 -3.906 8.277 504 2HH1 ARG 67 HH22 ARG 67 51.585 -3.224 7.942 505 1HH2 ARG 67 HH11 ARG 67 53.027 -6.220 7.064 506 2HH2 ARG 67 HH12 ARG 67 53.244 -4.507 7.280 507 H ASN 68 H ASN 68 43.822 -5.684 7.418 508 HA ASN 68 HA ASN 68 43.415 -3.001 6.343 509 1HB ASN 68 HB2 ASN 68 41.625 -5.425 6.786 510 2HB ASN 68 HB3 ASN 68 40.978 -3.880 6.244 511 1HD2 ASN 68 HD22 ASN 68 43.117 -6.567 5.296 512 2HD2 ASN 68 HD21 ASN 68 43.086 -6.136 3.592 513 H ALA 69 H ALA 69 42.601 -4.445 9.478 514 HA ALA 69 HA ALA 69 41.063 -2.177 10.280 515 1HB ALA 69 HB1 ALA 69 41.255 -3.129 12.552 516 2HB ALA 69 HB2 ALA 69 40.899 -4.402 11.368 517 3HB ALA 69 HB3 ALA 69 42.549 -4.216 12.006 518 H GLN 70 H GLN 70 44.556 -2.890 10.540 519 HA GLN 70 HA GLN 70 45.295 -0.522 11.951 520 1HB GLN 70 HB2 GLN 70 46.768 -2.468 11.643 521 2HB GLN 70 HB3 GLN 70 46.847 -2.163 9.910 522 1HG GLN 70 HG2 GLN 70 48.873 -1.389 11.016 523 2HG GLN 70 HG3 GLN 70 48.021 -0.032 10.297 524 1HE2 GLN 70 HE22 GLN 70 46.974 1.533 11.747 525 2HE2 GLN 70 HE21 GLN 70 47.459 1.588 13.443 526 H SER 71 H SER 71 44.745 -1.037 8.422 527 HA SER 71 HA SER 71 45.307 1.706 7.669 528 1HB SER 71 HB2 SER 71 43.448 -0.308 6.339 529 2HB SER 71 HB3 SER 71 44.076 1.177 5.615 530 HG SER 71 HG SER 71 46.166 0.313 5.727 531 H SER 72 H SER 72 42.324 0.060 8.784 532 HA SER 72 HA SER 72 40.553 2.250 8.327 533 1HB SER 72 HB2 SER 72 40.329 0.032 10.388 534 2HB SER 72 HB3 SER 72 39.034 1.137 9.903 535 HG SER 72 HG SER 72 40.415 -0.719 8.222 536 H ALA 73 H ALA 73 42.820 1.736 10.996 537 HA ALA 73 HA ALA 73 41.831 3.784 12.721 538 1HB ALA 73 HB1 ALA 73 44.704 2.875 12.277 539 2HB ALA 73 HB2 ALA 73 44.073 3.738 13.693 540 3HB ALA 73 HB3 ALA 73 43.528 2.083 13.354 541 H VAL 74 H VAL 74 43.700 4.039 9.701 542 HA VAL 74 HA VAL 74 44.220 6.892 9.949 543 HB VAL 74 HB VAL 74 44.343 5.083 7.489 544 1HG1 VAL 74 HG11 VAL 74 45.985 6.733 6.736 545 2HG1 VAL 74 HG12 VAL 74 44.399 7.465 7.025 546 3HG1 VAL 74 HG13 VAL 74 45.702 7.681 8.222 547 1HG2 VAL 74 HG21 VAL 74 46.535 5.661 9.534 548 2HG2 VAL 74 HG22 VAL 74 45.809 4.073 9.198 549 3HG2 VAL 74 HG23 VAL 74 46.775 4.869 7.959 550 H LYS 75 H LYS 75 41.857 4.789 8.208 551 HA LYS 75 HA LYS 75 40.355 6.856 6.928 552 1HB LYS 75 HB2 LYS 75 39.307 4.234 8.076 553 2HB LYS 75 HB3 LYS 75 38.481 5.260 6.907 554 1HG LYS 75 HG2 LYS 75 40.274 4.875 5.249 555 2HG LYS 75 HG3 LYS 75 41.137 3.847 6.407 556 1HD LYS 75 HD2 LYS 75 39.141 2.329 6.506 557 2HD LYS 75 HD3 LYS 75 38.361 3.321 5.259 558 1HE LYS 75 HE2 LYS 75 40.194 2.830 3.687 559 2HE LYS 75 HE3 LYS 75 41.056 1.922 4.936 560 1HZ LYS 75 HZ1 LYS 75 38.398 1.178 3.831 561 2HZ LYS 75 HZ2 LYS 75 39.808 0.444 3.461 562 3HZ LYS 75 HZ3 LYS 75 39.208 0.337 4.977 563 H SER 76 H SER 76 40.211 5.699 10.238 564 HA SER 76 HA SER 76 37.942 7.169 11.167 565 1HB SER 76 HB2 SER 76 40.386 6.236 12.714 566 2HB SER 76 HB3 SER 76 38.848 6.762 13.409 567 HG SER 76 HG SER 76 39.281 4.503 11.713 568 H MET 77 H MET 77 40.862 8.601 10.067 569 HA MET 77 HA MET 77 41.271 10.663 11.915 570 1HB MET 77 HB2 MET 77 42.363 11.871 10.174 571 2HB MET 77 HB3 MET 77 42.723 10.157 9.982 572 1HG MET 77 HG2 MET 77 40.964 10.040 8.185 573 2HG MET 77 HG3 MET 77 40.700 11.776 8.369 574 1HE MET 77 HE1 MET 77 41.008 12.101 5.793 575 2HE MET 77 HE2 MET 77 42.431 11.551 4.880 576 3HE MET 77 HE3 MET 77 41.313 10.360 5.583 577 H LYS 78 H LYS 78 38.587 10.379 9.657 578 HA LYS 78 HA LYS 78 37.587 13.087 9.836 579 1HB LYS 78 HB2 LYS 78 36.171 10.442 9.279 580 2HB LYS 78 HB3 LYS 78 35.442 12.044 9.096 581 1HG LYS 78 HG2 LYS 78 37.121 12.648 7.382 582 2HG LYS 78 HG3 LYS 78 37.912 11.080 7.579 583 1HD LYS 78 HD2 LYS 78 36.561 10.985 5.606 584 2HD LYS 78 HD3 LYS 78 35.833 9.935 6.830 585 1HE LYS 78 HE2 LYS 78 34.183 11.732 7.368 586 2HE LYS 78 HE3 LYS 78 34.933 12.777 6.155 587 1HZ LYS 78 HZ1 LYS 78 34.311 11.130 4.460 588 2HZ LYS 78 HZ2 LYS 78 33.609 10.175 5.587 589 3HZ LYS 78 HZ3 LYS 78 32.984 11.645 5.258 590 H ASP 79 H ASP 79 37.242 10.300 11.982 591 HA ASP 79 HA ASP 79 35.231 11.596 13.704 592 1HB ASP 79 HB2 ASP 79 36.920 9.078 14.032 593 2HB ASP 79 HB3 ASP 79 35.751 9.659 15.213 594 H ILE 80 H ILE 80 38.778 11.064 13.710 595 HA ILE 80 HA ILE 80 39.311 12.316 16.234 596 HB ILE 80 HB ILE 80 41.077 12.174 13.765 597 1HG1 ILE 80 HG12 ILE 80 40.460 9.920 14.437 598 2HG1 ILE 80 HG13 ILE 80 42.144 10.229 14.786 599 1HG2 ILE 80 HG21 ILE 80 41.776 12.809 16.656 600 2HG2 ILE 80 HG22 ILE 80 42.967 12.390 15.405 601 3HG2 ILE 80 HG23 ILE 80 41.987 13.844 15.230 602 1HD1 ILE 80 HD11 ILE 80 41.095 8.942 16.581 603 2HD1 ILE 80 HD12 ILE 80 41.596 10.522 17.202 604 3HD1 ILE 80 HD13 ILE 80 39.881 10.203 16.837 605 H ASP 81 H ASP 81 39.070 13.723 12.973 606 HA ASP 81 HA ASP 81 39.729 16.382 13.563 607 1HB ASP 81 HB2 ASP 81 39.447 15.407 11.314 608 2HB ASP 81 HB3 ASP 81 37.704 15.327 11.559 609 H SER 82 H SER 82 36.772 14.730 14.475 610 HA SER 82 HA SER 82 35.217 17.154 15.020 611 1HB SER 82 HB2 SER 82 34.810 14.284 15.943 612 2HB SER 82 HB3 SER 82 33.672 15.615 16.177 613 HG SER 82 HG SER 82 34.586 14.633 13.654 614 H SER 83 H SER 83 37.797 15.622 16.678 615 HA SER 83 HA SER 83 37.140 17.005 19.259 616 1HB SER 83 HB2 SER 83 38.205 14.181 18.889 617 2HB SER 83 HB3 SER 83 37.963 15.007 20.441 618 HG SER 83 HG SER 83 36.199 13.635 19.895 619 H ILE 84 H ILE 84 39.508 16.611 16.859 620 HA ILE 84 HA ILE 84 41.911 16.584 18.218 621 HB ILE 84 HB ILE 84 41.494 16.303 15.776 622 1HG1 ILE 84 HG12 ILE 84 43.547 17.196 14.898 623 2HG1 ILE 84 HG13 ILE 84 43.728 18.303 16.254 624 1HG2 ILE 84 HG21 ILE 84 41.410 18.211 14.272 625 2HG2 ILE 84 HG22 ILE 84 40.070 18.318 15.419 626 3HG2 ILE 84 HG23 ILE 84 41.502 19.347 15.626 627 1HD1 ILE 84 HD11 ILE 84 43.709 15.256 16.493 628 2HD1 ILE 84 HD12 ILE 84 45.170 16.262 16.401 629 3HD1 ILE 84 HD13 ILE 84 44.085 16.417 17.791 630 H LEU 85 H LEU 85 39.723 19.202 18.284 631 HA LEU 85 HA LEU 85 41.499 21.393 18.879 632 1HB LEU 85 HB2 LEU 85 38.622 20.917 19.756 633 2HB LEU 85 HB3 LEU 85 39.470 22.459 19.768 634 HG LEU 85 HG LEU 85 38.704 20.866 17.281 635 1HD1 LEU 85 HD11 LEU 85 36.810 21.942 18.447 636 2HD1 LEU 85 HD12 LEU 85 37.656 23.505 18.381 637 3HD1 LEU 85 HD13 LEU 85 37.138 22.702 16.881 638 1HD2 LEU 85 HD21 LEU 85 40.769 22.118 16.836 639 2HD2 LEU 85 HD22 LEU 85 39.405 22.891 16.025 640 3HD2 LEU 85 HD23 LEU 85 40.051 23.593 17.526 641 H GLU 86 H GLU 86 40.879 18.577 20.696 642 HA GLU 86 HA GLU 86 42.061 19.790 23.144 643 1HB GLU 86 HB2 GLU 86 39.408 18.473 22.832 644 2HB GLU 86 HB3 GLU 86 40.371 17.794 24.126 645 1HG GLU 86 HG2 GLU 86 39.737 20.754 23.807 646 2HG GLU 86 HG3 GLU 86 38.876 19.630 24.857 647 H HIS 87 H HIS 87 42.823 18.141 24.684 648 HA HIS 87 HA HIS 87 43.842 15.613 23.528 649 1HB HIS 87 HB2 HIS 87 45.433 17.343 22.723 650 2HB HIS 87 HB3 HIS 87 45.709 17.874 24.379 651 HD1 HIS 87 HD1 HIS 87 47.777 16.716 25.508 652 HD2 HIS 87 HD2 HIS 87 46.094 14.569 22.296 653 HE1 HIS 87 HE1 HIS 87 49.287 14.706 25.125 654 H HIS 88 H HIS 88 44.162 17.893 26.297 655 HA HIS 88 HA HIS 88 43.258 15.964 28.230 656 1HB HIS 88 HB2 HIS 88 45.349 15.944 29.610 657 2HB HIS 88 HB3 HIS 88 45.468 15.041 28.116 658 HD1 HIS 88 HD1 HIS 88 46.085 18.856 28.091 659 HD2 HIS 88 HD2 HIS 88 48.110 15.166 28.010 660 HE1 HIS 88 HE1 HIS 88 48.507 19.383 27.476 661 H HIS 89 H HIS 89 42.920 16.909 30.325 662 HA HIS 89 HA HIS 89 42.372 19.730 30.321 663 1HB HIS 89 HB2 HIS 89 41.571 19.385 32.551 664 2HB HIS 89 HB3 HIS 89 41.064 18.024 31.565 665 HD1 HIS 89 HD1 HIS 89 41.948 15.611 32.373 666 HD2 HIS 89 HD2 HIS 89 43.526 18.935 34.421 667 HE1 HIS 89 HE1 HIS 89 43.235 14.680 34.362 668 H HIS 90 H HIS 90 45.331 18.108 30.947 669 HA HIS 90 HA HIS 90 46.447 19.607 33.057 670 1HB HIS 90 HB2 HIS 90 47.942 18.419 30.697 671 2HB HIS 90 HB3 HIS 90 48.572 18.740 32.305 672 HD1 HIS 90 HD1 HIS 90 45.948 17.196 33.790 673 HD2 HIS 90 HD2 HIS 90 48.553 15.850 30.767 674 HE1 HIS 90 HE1 HIS 90 45.915 14.662 33.899 675 H HIS 91 H HIS 91 47.108 21.650 33.224 676 HA HIS 91 HA HIS 91 48.148 23.185 30.908 677 1HB HIS 91 HB2 HIS 91 46.534 24.983 31.252 678 2HB HIS 91 HB3 HIS 91 45.701 23.483 30.886 679 HD1 HIS 91 HD1 HIS 91 44.290 22.355 32.940 680 HD2 HIS 91 HD2 HIS 91 46.106 26.084 33.675 681 HE1 HIS 91 HE1 HIS 91 43.269 23.236 35.111 682 H HIS 92 H HIS 92 48.975 22.201 33.799 683 HA HIS 92 HA HIS 92 50.376 24.636 34.679 684 1HB HIS 92 HB2 HIS 92 49.458 24.400 36.986 685 2HB HIS 92 HB3 HIS 92 48.283 24.930 35.792 686 HD1 HIS 92 HD1 HIS 92 49.121 21.222 36.313 687 HD2 HIS 92 HD2 HIS 92 46.114 24.057 37.057 688 HE1 HIS 92 HE1 HIS 92 47.082 19.900 37.172 Start of MODEL 12 1 1H MET 1 H1 MET 1 70.632 -14.946 53.930 2 2H MET 1 H2 MET 1 70.955 -13.348 54.068 3 3H MET 1 H3 MET 1 69.442 -13.906 54.356 4 HA MET 1 HA MET 1 70.841 -13.956 51.762 5 1HB MET 1 HB2 MET 1 68.053 -14.942 52.480 6 2HB MET 1 HB3 MET 1 68.544 -14.525 50.837 7 1HG MET 1 HG2 MET 1 68.762 -16.864 51.059 8 2HG MET 1 HG3 MET 1 70.379 -16.180 50.942 9 1HE MET 1 HE1 MET 1 71.326 -18.555 51.628 10 2HE MET 1 HE2 MET 1 70.853 -19.429 53.102 11 3HE MET 1 HE3 MET 1 69.675 -19.197 51.792 12 H SER 2 H SER 2 67.566 -12.764 52.691 13 HA SER 2 HA SER 2 67.732 -10.460 51.084 14 1HB SER 2 HB2 SER 2 65.979 -10.959 53.522 15 2HB SER 2 HB3 SER 2 65.683 -9.767 52.241 16 HG SER 2 HG SER 2 64.510 -11.700 51.875 17 H ASN 3 H ASN 3 67.702 -8.232 51.600 18 HA ASN 3 HA ASN 3 68.611 -7.258 54.210 19 1HB ASN 3 HB2 ASN 3 70.561 -6.060 53.274 20 2HB ASN 3 HB3 ASN 3 70.739 -7.797 53.128 21 1HD2 ASN 3 HD22 ASN 3 70.194 -4.778 51.264 22 2HD2 ASN 3 HD21 ASN 3 70.666 -5.522 49.751 23 HA PRO 4 HA PRO 4 66.180 -3.624 53.174 24 1HB PRO 4 HB2 PRO 4 68.643 -2.097 54.056 25 2HB PRO 4 HB3 PRO 4 66.925 -1.781 54.457 26 1HG PRO 4 HG2 PRO 4 68.517 -3.048 56.238 27 2HG PRO 4 HG3 PRO 4 66.852 -3.648 55.944 28 1HD PRO 4 HD2 PRO 4 69.457 -4.738 54.864 29 2HD PRO 4 HD3 PRO 4 68.026 -5.607 55.488 30 HA PRO 5 HA PRO 5 67.430 -2.694 49.081 31 1HB PRO 5 HB2 PRO 5 66.062 -0.376 48.467 32 2HB PRO 5 HB3 PRO 5 65.293 -1.981 48.660 33 1HG PRO 5 HG2 PRO 5 65.525 0.237 50.714 34 2HG PRO 5 HG3 PRO 5 64.074 -0.721 50.276 35 1HD PRO 5 HD2 PRO 5 65.579 -1.339 52.447 36 2HD PRO 5 HD3 PRO 5 64.877 -2.629 51.423 37 H THR 6 H THR 6 68.808 -1.579 47.770 38 HA THR 6 HA THR 6 70.092 0.970 48.582 39 HB THR 6 HB THR 6 72.302 0.144 48.172 40 HG1 THR 6 HG1 THR 6 72.694 -2.076 47.998 41 1HG2 THR 6 HG21 THR 6 71.483 0.094 50.513 42 2HG2 THR 6 HG22 THR 6 71.020 -1.610 50.299 43 3HG2 THR 6 HG23 THR 6 72.725 -1.126 50.185 44 HA PRO 7 HA PRO 7 69.939 2.153 44.408 45 1HB PRO 7 HB2 PRO 7 72.890 2.778 44.601 46 2HB PRO 7 HB3 PRO 7 71.541 3.783 43.987 47 1HG PRO 7 HG2 PRO 7 72.542 4.200 46.475 48 2HG PRO 7 HG3 PRO 7 70.771 4.248 46.184 49 1HD PRO 7 HD2 PRO 7 72.441 1.995 47.311 50 2HD PRO 7 HD3 PRO 7 70.897 2.617 47.876 51 H LEU 8 H LEU 8 69.571 0.540 43.023 52 HA LEU 8 HA LEU 8 71.762 -0.731 41.538 53 1HB LEU 8 HB2 LEU 8 71.496 -2.246 43.456 54 2HB LEU 8 HB3 LEU 8 69.752 -2.295 43.218 55 HG LEU 8 HG LEU 8 70.053 -3.488 41.070 56 1HD1 LEU 8 HD11 LEU 8 72.254 -2.668 40.346 57 2HD1 LEU 8 HD12 LEU 8 73.024 -3.423 41.760 58 3HD1 LEU 8 HD13 LEU 8 72.284 -4.425 40.493 59 1HD2 LEU 8 HD21 LEU 8 70.830 -5.612 42.016 60 2HD2 LEU 8 HD22 LEU 8 71.576 -4.753 43.383 61 3HD2 LEU 8 HD23 LEU 8 69.810 -4.747 43.177 62 H LEU 9 H LEU 9 71.188 -0.631 39.460 63 HA LEU 9 HA LEU 9 68.417 -1.132 38.542 64 1HB LEU 9 HB2 LEU 9 70.055 1.371 37.927 65 2HB LEU 9 HB3 LEU 9 68.658 0.879 36.987 66 HG LEU 9 HG LEU 9 68.555 1.626 39.940 67 1HD1 LEU 9 HD11 LEU 9 67.711 3.181 37.462 68 2HD1 LEU 9 HD12 LEU 9 67.478 3.682 39.154 69 3HD1 LEU 9 HD13 LEU 9 69.115 3.538 38.495 70 1HD2 LEU 9 HD21 LEU 9 66.712 0.092 39.303 71 2HD2 LEU 9 HD22 LEU 9 66.104 1.727 39.559 72 3HD2 LEU 9 HD23 LEU 9 66.330 1.119 37.904 73 H ALA 10 H ALA 10 68.284 -1.642 36.309 74 HA ALA 10 HA ALA 10 70.530 -3.044 35.106 75 1HB ALA 10 HB1 ALA 10 68.941 -3.375 33.270 76 2HB ALA 10 HB2 ALA 10 68.129 -3.679 34.813 77 3HB ALA 10 HB3 ALA 10 67.846 -2.150 33.946 78 H ASP 11 H ASP 11 71.408 -2.540 32.979 79 HA ASP 11 HA ASP 11 71.500 0.285 32.122 80 1HB ASP 11 HB2 ASP 11 73.122 0.101 34.014 81 2HB ASP 11 HB3 ASP 11 73.925 -1.233 33.185 82 H TYR 12 H TYR 12 72.788 0.551 30.151 83 HA TYR 12 HA TYR 12 72.278 -1.291 28.101 84 1HB TYR 12 HB2 TYR 12 74.305 0.962 28.257 85 2HB TYR 12 HB3 TYR 12 73.808 0.162 26.775 86 HD1 TYR 12 HD1 TYR 12 73.100 2.898 28.951 87 HD2 TYR 12 HD2 TYR 12 71.228 0.079 26.268 88 HE1 TYR 12 HE1 TYR 12 71.138 4.419 28.712 89 HE2 TYR 12 HE2 TYR 12 69.270 1.601 26.036 90 HH TYR 12 HH TYR 12 68.323 3.596 26.650 91 H GLU 13 H GLU 13 74.663 -1.707 30.446 92 HA GLU 13 HA GLU 13 76.738 -3.153 29.178 93 1HB GLU 13 HB2 GLU 13 76.544 -2.434 31.598 94 2HB GLU 13 HB3 GLU 13 75.311 -3.664 31.835 95 1HG GLU 13 HG2 GLU 13 77.374 -4.496 32.706 96 2HG GLU 13 HG3 GLU 13 77.012 -5.429 31.266 97 H TRP 14 H TRP 14 73.414 -4.055 29.918 98 HA TRP 14 HA TRP 14 73.543 -6.366 28.084 99 1HB TRP 14 HB2 TRP 14 72.567 -7.923 29.725 100 2HB TRP 14 HB3 TRP 14 74.180 -7.407 30.177 101 HD1 TRP 14 HD1 TRP 14 74.477 -6.060 32.397 102 HE1 TRP 14 HE1 TRP 14 72.968 -5.564 34.414 103 HE3 TRP 14 HE3 TRP 14 69.965 -7.446 30.394 104 HZ2 TRP 14 HZ2 TRP 14 70.162 -5.725 35.068 105 HZ3 TRP 14 HZ3 TRP 14 67.887 -7.251 31.740 106 HH2 TRP 14 HH2 TRP 14 67.972 -6.398 34.072 107 H SER 15 H SER 15 71.635 -4.016 29.873 108 HA SER 15 HA SER 15 69.052 -5.011 28.917 109 1HB SER 15 HB2 SER 15 69.505 -3.909 31.156 110 2HB SER 15 HB3 SER 15 69.649 -2.370 30.282 111 HG SER 15 HG SER 15 67.498 -2.792 31.057 112 H GLY 16 H GLY 16 67.546 -3.303 27.995 113 1HA GLY 16 HA2 GLY 16 66.837 -1.944 26.280 114 2HA GLY 16 HA3 GLY 16 68.477 -1.298 26.159 115 H TYR 17 H TYR 17 70.029 -3.273 25.273 116 HA TYR 17 HA TYR 17 69.361 -3.664 22.520 117 1HB TYR 17 HB2 TYR 17 71.457 -4.978 24.278 118 2HB TYR 17 HB3 TYR 17 71.389 -5.118 22.526 119 HD1 TYR 17 HD1 TYR 17 71.383 -2.888 21.147 120 HD2 TYR 17 HD2 TYR 17 72.744 -3.225 25.233 121 HE1 TYR 17 HE1 TYR 17 72.746 -0.818 20.869 122 HE2 TYR 17 HE2 TYR 17 74.126 -1.184 24.937 123 HH TYR 17 HH TYR 17 74.773 0.498 23.519 124 H LEU 18 H LEU 18 68.764 -5.741 25.293 125 HA LEU 18 HA LEU 18 68.096 -7.990 23.482 126 1HB LEU 18 HB2 LEU 18 69.052 -7.777 26.364 127 2HB LEU 18 HB3 LEU 18 68.254 -9.233 25.842 128 HG LEU 18 HG LEU 18 70.628 -9.515 25.841 129 1HD1 LEU 18 HD11 LEU 18 69.263 -10.788 24.218 130 2HD1 LEU 18 HD12 LEU 18 69.591 -9.554 22.980 131 3HD1 LEU 18 HD13 LEU 18 70.919 -10.515 23.654 132 1HD2 LEU 18 HD21 LEU 18 70.866 -7.520 23.569 133 2HD2 LEU 18 HD22 LEU 18 71.323 -7.193 25.261 134 3HD2 LEU 18 HD23 LEU 18 72.158 -8.453 24.340 135 H THR 19 H THR 19 66.286 -5.665 24.834 136 HA THR 19 HA THR 19 63.995 -7.185 25.786 137 HB THR 19 HB THR 19 64.580 -4.709 26.172 138 HG1 THR 19 HG1 THR 19 62.643 -5.520 26.855 139 1HG2 THR 19 HG21 THR 19 63.757 -3.040 24.668 140 2HG2 THR 19 HG22 THR 19 64.806 -4.097 23.717 141 3HG2 THR 19 HG23 THR 19 63.047 -4.237 23.577 142 H GLY 20 H GLY 20 65.339 -7.078 22.740 143 1HA GLY 20 HA2 GLY 20 64.496 -7.910 20.668 144 2HA GLY 20 HA3 GLY 20 62.824 -7.660 21.227 145 H ILE 21 H ILE 21 65.658 -5.583 21.364 146 HA ILE 21 HA ILE 21 64.749 -3.210 21.550 147 HB ILE 21 HB ILE 21 67.082 -3.850 21.546 148 1HG1 ILE 21 HG12 ILE 21 66.535 -1.402 19.782 149 2HG1 ILE 21 HG13 ILE 21 66.292 -1.447 21.527 150 1HG2 ILE 21 HG21 ILE 21 67.149 -5.080 19.371 151 2HG2 ILE 21 HG22 ILE 21 67.111 -3.524 18.517 152 3HG2 ILE 21 HG23 ILE 21 68.472 -3.937 19.577 153 1HD1 ILE 21 HD11 ILE 21 68.689 -1.730 21.900 154 2HD1 ILE 21 HD12 ILE 21 68.986 -1.780 20.142 155 3HD1 ILE 21 HD13 ILE 21 68.371 -0.308 20.906 156 H GLY 22 H GLY 22 63.495 -1.825 20.857 157 1HA GLY 22 HA2 GLY 22 62.390 -0.328 19.570 158 2HA GLY 22 HA3 GLY 22 63.292 -0.871 18.147 159 H ARG 23 H ARG 23 62.557 -3.388 17.700 160 HA ARG 23 HA ARG 23 59.832 -3.425 16.748 161 1HB ARG 23 HB2 ARG 23 61.734 -4.755 15.843 162 2HB ARG 23 HB3 ARG 23 61.731 -5.749 17.306 163 1HG ARG 23 HG2 ARG 23 59.438 -6.524 16.798 164 2HG ARG 23 HG3 ARG 23 59.371 -5.466 15.382 165 1HD ARG 23 HD2 ARG 23 61.320 -7.771 15.809 166 2HD ARG 23 HD3 ARG 23 59.846 -7.875 14.855 167 HE ARG 23 HE ARG 23 62.388 -6.659 14.078 168 1HH1 ARG 23 HH21 ARG 23 58.968 -6.654 13.280 169 2HH1 ARG 23 HH22 ARG 23 59.261 -6.052 11.672 170 1HH2 ARG 23 HH11 ARG 23 62.673 -5.871 12.031 171 2HH2 ARG 23 HH12 ARG 23 61.300 -5.619 10.993 172 H ALA 24 H ALA 24 61.165 -4.282 19.882 173 HA ALA 24 HA ALA 24 59.003 -5.719 20.910 174 1HB ALA 24 HB1 ALA 24 59.927 -4.967 23.130 175 2HB ALA 24 HB2 ALA 24 61.220 -5.431 22.011 176 3HB ALA 24 HB3 ALA 24 60.883 -3.718 22.292 177 H PHE 25 H PHE 25 58.833 -2.347 20.087 178 HA PHE 25 HA PHE 25 56.559 -1.841 21.790 179 1HB PHE 25 HB2 PHE 25 57.982 -0.066 20.768 180 2HB PHE 25 HB3 PHE 25 57.418 -0.534 19.171 181 HD1 PHE 25 HD1 PHE 25 56.272 0.801 22.485 182 HD2 PHE 25 HD2 PHE 25 55.411 0.417 18.275 183 HE1 PHE 25 HE1 PHE 25 54.384 2.401 22.723 184 HE2 PHE 25 HE2 PHE 25 53.526 2.019 18.517 185 HZ PHE 25 HZ PHE 25 53.011 3.012 20.740 186 H ASP 26 H ASP 26 56.945 -3.526 18.756 187 HA ASP 26 HA ASP 26 54.091 -3.528 18.032 188 1HB ASP 26 HB2 ASP 26 56.558 -4.917 16.910 189 2HB ASP 26 HB3 ASP 26 54.945 -5.048 16.217 190 H ASP 27 H ASP 27 56.011 -5.362 20.195 191 HA ASP 27 HA ASP 27 55.269 -8.014 19.744 192 1HB ASP 27 HB2 ASP 27 57.045 -7.204 21.263 193 2HB ASP 27 HB3 ASP 27 55.816 -6.637 22.397 194 H GLY 28 H GLY 28 53.307 -5.518 21.240 195 1HA GLY 28 HA2 GLY 28 51.283 -7.135 22.472 196 2HA GLY 28 HA3 GLY 28 51.120 -5.457 21.948 197 H VAL 29 H VAL 29 51.910 -6.589 19.106 198 HA VAL 29 HA VAL 29 49.324 -7.931 18.400 199 HB VAL 29 HB VAL 29 50.644 -5.906 16.569 200 1HG1 VAL 29 HG11 VAL 29 48.342 -5.924 15.549 201 2HG1 VAL 29 HG12 VAL 29 49.137 -7.488 15.456 202 3HG1 VAL 29 HG13 VAL 29 47.892 -7.227 16.686 203 1HG2 VAL 29 HG21 VAL 29 48.835 -4.324 17.186 204 2HG2 VAL 29 HG22 VAL 29 48.349 -5.412 18.509 205 3HG2 VAL 29 HG23 VAL 29 49.945 -4.620 18.523 206 H LYS 30 H LYS 30 52.800 -7.755 17.907 207 HA LYS 30 HA LYS 30 53.079 -9.432 15.701 208 1HB LYS 30 HB2 LYS 30 54.904 -8.238 17.153 209 2HB LYS 30 HB3 LYS 30 54.928 -9.754 18.071 210 1HG LYS 30 HG2 LYS 30 55.269 -10.932 15.793 211 2HG LYS 30 HG3 LYS 30 55.492 -9.324 15.099 212 1HD LYS 30 HD2 LYS 30 57.404 -8.967 16.678 213 2HD LYS 30 HD3 LYS 30 57.177 -10.606 17.300 214 1HE LYS 30 HE2 LYS 30 57.916 -9.833 14.436 215 2HE LYS 30 HE3 LYS 30 59.006 -10.502 15.653 216 1HZ LYS 30 HZ1 LYS 30 57.535 -12.523 15.643 217 2HZ LYS 30 HZ2 LYS 30 56.739 -11.905 14.338 218 3HZ LYS 30 HZ3 LYS 30 58.314 -12.272 14.235 219 H ASP 31 H ASP 31 51.795 -10.350 18.768 220 HA ASP 31 HA ASP 31 52.008 -13.118 18.877 221 1HB ASP 31 HB2 ASP 31 50.767 -11.635 20.452 222 2HB ASP 31 HB3 ASP 31 49.523 -11.377 19.222 223 H LEU 32 H LEU 32 49.790 -11.277 16.749 224 HA LEU 32 HA LEU 32 48.538 -13.621 15.610 225 1HB LEU 32 HB2 LEU 32 47.899 -11.002 15.812 226 2HB LEU 32 HB3 LEU 32 48.652 -10.927 14.244 227 HG LEU 32 HG LEU 32 46.192 -12.510 15.112 228 1HD1 LEU 32 HD11 LEU 32 45.891 -10.110 14.626 229 2HD1 LEU 32 HD12 LEU 32 46.610 -10.333 13.018 230 3HD1 LEU 32 HD13 LEU 32 45.064 -11.113 13.423 231 1HD2 LEU 32 HD21 LEU 32 45.947 -13.208 12.709 232 2HD2 LEU 32 HD22 LEU 32 47.623 -12.675 12.441 233 3HD2 LEU 32 HD23 LEU 32 47.267 -14.006 13.560 234 H ASN 33 H ASN 33 51.227 -11.532 14.683 235 HA ASN 33 HA ASN 33 51.820 -12.778 12.126 236 1HB ASN 33 HB2 ASN 33 52.676 -10.563 12.578 237 2HB ASN 33 HB3 ASN 33 53.455 -11.091 14.061 238 1HD2 ASN 33 HD22 ASN 33 53.626 -11.428 10.494 239 2HD2 ASN 33 HD21 ASN 33 55.332 -11.841 10.517 240 H LYS 34 H LYS 34 52.870 -13.462 15.456 241 HA LYS 34 HA LYS 34 54.640 -15.638 14.797 242 1HB LYS 34 HB2 LYS 34 54.626 -14.327 16.943 243 2HB LYS 34 HB3 LYS 34 53.132 -15.153 17.402 244 1HG LYS 34 HG2 LYS 34 54.314 -17.341 17.297 245 2HG LYS 34 HG3 LYS 34 55.805 -16.505 16.819 246 1HD LYS 34 HD2 LYS 34 55.790 -15.262 18.971 247 2HD LYS 34 HD3 LYS 34 54.287 -16.090 19.437 248 1HE LYS 34 HE2 LYS 34 55.468 -18.286 19.248 249 2HE LYS 34 HE3 LYS 34 56.964 -17.435 18.847 250 1HZ LYS 34 HZ1 LYS 34 55.478 -17.151 21.406 251 2HZ LYS 34 HZ2 LYS 34 56.864 -17.986 21.210 252 3HZ LYS 34 HZ3 LYS 34 56.862 -16.364 21.038 253 H GLN 35 H GLN 35 51.164 -15.575 15.570 254 HA GLN 35 HA GLN 35 50.685 -18.404 15.386 255 1HB GLN 35 HB2 GLN 35 48.878 -16.052 14.670 256 2HB GLN 35 HB3 GLN 35 48.366 -17.733 14.664 257 1HG GLN 35 HG2 GLN 35 48.777 -17.931 17.059 258 2HG GLN 35 HG3 GLN 35 49.397 -16.289 17.138 259 1HE2 GLN 35 HE22 GLN 35 47.795 -14.976 18.187 260 2HE2 GLN 35 HE21 GLN 35 46.093 -15.125 17.786 261 H LEU 36 H LEU 36 50.811 -15.890 12.874 262 HA LEU 36 HA LEU 36 50.161 -17.678 10.695 263 1HB LEU 36 HB2 LEU 36 49.746 -15.250 10.747 264 2HB LEU 36 HB3 LEU 36 51.488 -14.989 10.593 265 HG LEU 36 HG LEU 36 51.508 -16.194 8.439 266 1HD1 LEU 36 HD11 LEU 36 48.496 -16.453 8.739 267 2HD1 LEU 36 HD12 LEU 36 49.393 -16.686 7.249 268 3HD1 LEU 36 HD13 LEU 36 49.641 -17.803 8.607 269 1HD2 LEU 36 HD21 LEU 36 50.968 -13.742 8.692 270 2HD2 LEU 36 HD22 LEU 36 50.261 -14.449 7.236 271 3HD2 LEU 36 HD23 LEU 36 49.249 -14.204 8.665 272 H GLN 37 H GLN 37 53.305 -16.461 11.924 273 HA GLN 37 HA GLN 37 54.868 -17.924 9.986 274 1HB GLN 37 HB2 GLN 37 55.514 -16.825 12.759 275 2HB GLN 37 HB3 GLN 37 56.714 -17.620 11.728 276 1HG GLN 37 HG2 GLN 37 56.341 -15.974 9.944 277 2HG GLN 37 HG3 GLN 37 55.143 -15.130 10.912 278 1HE2 GLN 37 HE22 GLN 37 57.762 -14.166 9.794 279 2HE2 GLN 37 HE21 GLN 37 58.647 -13.589 11.197 280 H ASP 38 H ASP 38 53.473 -18.876 13.125 281 HA ASP 38 HA ASP 38 54.625 -21.523 13.133 282 1HB ASP 38 HB2 ASP 38 53.668 -20.507 15.143 283 2HB ASP 38 HB3 ASP 38 52.069 -20.485 14.405 284 H ALA 39 H ALA 39 51.632 -20.209 11.659 285 HA ALA 39 HA ALA 39 50.771 -22.697 10.545 286 1HB ALA 39 HB1 ALA 39 49.252 -21.532 9.283 287 2HB ALA 39 HB2 ALA 39 49.617 -20.222 10.478 288 3HB ALA 39 HB3 ALA 39 50.368 -20.218 8.883 289 H GLN 40 H GLN 40 52.921 -20.199 9.278 290 HA GLN 40 HA GLN 40 53.514 -21.466 6.785 291 1HB GLN 40 HB2 GLN 40 53.821 -18.978 7.615 292 2HB GLN 40 HB3 GLN 40 55.342 -19.542 8.297 293 1HG GLN 40 HG2 GLN 40 56.086 -20.294 6.046 294 2HG GLN 40 HG3 GLN 40 54.563 -19.746 5.350 295 1HE2 GLN 40 HE22 GLN 40 57.048 -18.799 4.392 296 2HE2 GLN 40 HE21 GLN 40 57.187 -17.104 4.834 297 H ALA 41 H ALA 41 54.939 -21.936 9.997 298 HA ALA 41 HA ALA 41 57.061 -23.689 8.936 299 1HB ALA 41 HB1 ALA 41 56.133 -23.254 11.789 300 2HB ALA 41 HB2 ALA 41 57.602 -24.116 11.241 301 3HB ALA 41 HB3 ALA 41 57.445 -22.374 10.952 302 H ASN 42 H ASN 42 53.798 -24.294 10.314 303 HA ASN 42 HA ASN 42 54.181 -27.172 10.048 304 1HB ASN 42 HB2 ASN 42 51.592 -25.533 10.255 305 2HB ASN 42 HB3 ASN 42 51.693 -27.258 10.097 306 1HD2 ASN 42 HD22 ASN 42 52.429 -24.605 12.348 307 2HD2 ASN 42 HD21 ASN 42 52.625 -25.676 13.719 308 H LEU 43 H LEU 43 53.169 -24.549 7.888 309 HA LEU 43 HA LEU 43 52.915 -26.253 5.624 310 1HB LEU 43 HB2 LEU 43 52.136 -23.695 6.116 311 2HB LEU 43 HB3 LEU 43 53.699 -23.340 5.402 312 HG LEU 43 HG LEU 43 53.112 -24.713 3.450 313 1HD1 LEU 43 HD11 LEU 43 51.362 -26.146 4.311 314 2HD1 LEU 43 HD12 LEU 43 50.529 -24.733 5.047 315 3HD1 LEU 43 HD13 LEU 43 50.530 -25.027 3.266 316 1HD2 LEU 43 HD21 LEU 43 51.108 -22.503 3.972 317 2HD2 LEU 43 HD22 LEU 43 52.771 -22.272 3.351 318 3HD2 LEU 43 HD23 LEU 43 51.581 -23.192 2.396 319 H THR 44 H THR 44 55.746 -24.599 7.039 320 HA THR 44 HA THR 44 57.442 -25.136 4.831 321 HB THR 44 HB THR 44 58.157 -24.887 7.766 322 HG1 THR 44 HG1 THR 44 57.353 -23.032 6.594 323 1HG2 THR 44 HG21 THR 44 59.901 -26.141 6.848 324 2HG2 THR 44 HG22 THR 44 59.881 -25.214 5.321 325 3HG2 THR 44 HG23 THR 44 60.464 -24.455 6.850 326 H LYS 45 H LYS 45 56.607 -27.110 7.641 327 HA LYS 45 HA LYS 45 58.270 -29.396 7.061 328 1HB LYS 45 HB2 LYS 45 55.668 -29.002 8.553 329 2HB LYS 45 HB3 LYS 45 56.469 -30.578 8.446 330 1HG LYS 45 HG2 LYS 45 58.508 -29.604 9.488 331 2HG LYS 45 HG3 LYS 45 57.663 -28.064 9.685 332 1HD LYS 45 HD2 LYS 45 56.808 -30.712 10.941 333 2HD LYS 45 HD3 LYS 45 57.706 -29.425 11.764 334 1HE LYS 45 HE2 LYS 45 55.836 -27.845 11.344 335 2HE LYS 45 HE3 LYS 45 54.923 -29.141 10.553 336 1HZ LYS 45 HZ1 LYS 45 54.926 -30.346 12.672 337 2HZ LYS 45 HZ2 LYS 45 55.734 -29.128 13.407 338 3HZ LYS 45 HZ3 LYS 45 54.219 -28.880 12.830 339 H ASN 46 H ASN 46 55.080 -28.527 5.773 340 HA ASN 46 HA ASN 46 55.650 -30.196 3.485 341 1HB ASN 46 HB2 ASN 46 54.542 -31.702 5.070 342 2HB ASN 46 HB3 ASN 46 53.190 -30.591 5.100 343 1HD2 ASN 46 HD22 ASN 46 53.215 -33.445 4.250 344 2HD2 ASN 46 HD21 ASN 46 52.851 -33.485 2.530 345 HA PRO 47 HA PRO 47 54.485 -25.971 2.391 346 1HB PRO 47 HB2 PRO 47 55.399 -27.107 -0.216 347 2HB PRO 47 HB3 PRO 47 55.591 -25.439 0.459 348 1HG PRO 47 HG2 PRO 47 57.608 -27.266 0.672 349 2HG PRO 47 HG3 PRO 47 57.200 -26.174 2.036 350 1HD PRO 47 HD2 PRO 47 56.634 -29.088 1.761 351 2HD PRO 47 HD3 PRO 47 56.847 -28.099 3.202 352 H SER 48 H SER 48 52.984 -28.812 0.933 353 HA SER 48 HA SER 48 50.604 -27.158 0.740 354 1HB SER 48 HB2 SER 48 51.299 -26.886 -1.398 355 2HB SER 48 HB3 SER 48 51.704 -28.613 -1.548 356 HG SER 48 HG SER 48 49.370 -28.969 -1.361 357 H ASP 49 H ASP 49 51.369 -28.874 2.749 358 HA ASP 49 HA ASP 49 49.592 -31.212 2.690 359 1HB ASP 49 HB2 ASP 49 51.232 -31.331 4.302 360 2HB ASP 49 HB3 ASP 49 51.094 -29.713 4.869 361 HA PRO 50 HA PRO 50 46.251 -28.471 2.309 362 1HB PRO 50 HB2 PRO 50 44.114 -30.091 2.726 363 2HB PRO 50 HB3 PRO 50 45.168 -30.080 1.249 364 1HG PRO 50 HG2 PRO 50 45.240 -31.946 3.667 365 2HG PRO 50 HG3 PRO 50 45.340 -32.400 1.933 366 1HD PRO 50 HD2 PRO 50 47.558 -32.087 3.563 367 2HD PRO 50 HD3 PRO 50 47.591 -31.703 1.808 368 H THR 51 H THR 51 46.471 -30.175 5.415 369 HA THR 51 HA THR 51 44.532 -28.320 6.748 370 HB THR 51 HB THR 51 46.388 -30.485 7.641 371 HG1 THR 51 HG1 THR 51 44.345 -31.072 6.855 372 1HG2 THR 51 HG21 THR 51 45.468 -30.132 9.958 373 2HG2 THR 51 HG22 THR 51 46.607 -28.884 9.417 374 3HG2 THR 51 HG23 THR 51 44.851 -28.558 9.384 375 H ALA 52 H ALA 52 48.106 -28.766 6.480 376 HA ALA 52 HA ALA 52 48.808 -26.401 7.992 377 1HB ALA 52 HB1 ALA 52 50.113 -27.763 5.551 378 2HB ALA 52 HB2 ALA 52 50.915 -26.645 6.670 379 3HB ALA 52 HB3 ALA 52 50.394 -28.261 7.216 380 H LEU 53 H LEU 53 47.989 -26.787 4.587 381 HA LEU 53 HA LEU 53 48.358 -23.990 4.090 382 1HB LEU 53 HB2 LEU 53 48.687 -26.001 2.626 383 2HB LEU 53 HB3 LEU 53 46.951 -26.091 2.379 384 HG LEU 53 HG LEU 53 46.994 -24.353 0.852 385 1HD1 LEU 53 HD11 LEU 53 49.387 -23.212 2.308 386 2HD1 LEU 53 HD12 LEU 53 48.747 -22.567 0.783 387 3HD1 LEU 53 HD13 LEU 53 47.743 -22.524 2.258 388 1HD2 LEU 53 HD21 LEU 53 48.652 -26.152 0.255 389 2HD2 LEU 53 HD22 LEU 53 49.025 -24.579 -0.496 390 3HD2 LEU 53 HD23 LEU 53 49.955 -25.092 0.936 391 H ALA 54 H ALA 54 45.449 -26.003 4.713 392 HA ALA 54 HA ALA 54 43.519 -23.931 4.525 393 1HB ALA 54 HB1 ALA 54 42.252 -25.426 6.167 394 2HB ALA 54 HB2 ALA 54 42.872 -26.297 4.758 395 3HB ALA 54 HB3 ALA 54 43.714 -26.428 6.317 396 H ASN 55 H ASN 55 45.634 -24.940 7.191 397 HA ASN 55 HA ASN 55 44.651 -23.194 9.174 398 1HB ASN 55 HB2 ASN 55 45.972 -25.172 9.700 399 2HB ASN 55 HB3 ASN 55 47.310 -24.604 8.725 400 1HD2 ASN 55 HD22 ASN 55 48.960 -23.950 9.818 401 2HD2 ASN 55 HD21 ASN 55 48.873 -23.241 11.442 402 H TYR 56 H TYR 56 47.609 -22.956 7.182 403 HA TYR 56 HA TYR 56 48.217 -20.214 7.733 404 1HB TYR 56 HB2 TYR 56 49.836 -21.592 6.718 405 2HB TYR 56 HB3 TYR 56 48.765 -22.081 5.412 406 HD1 TYR 56 HD1 TYR 56 48.379 -20.545 3.488 407 HD2 TYR 56 HD2 TYR 56 51.284 -19.734 6.579 408 HE1 TYR 56 HE1 TYR 56 49.704 -19.186 1.885 409 HE2 TYR 56 HE2 TYR 56 52.609 -18.376 4.968 410 HH TYR 56 HH TYR 56 51.627 -17.982 1.543 411 H GLN 57 H GLN 57 45.985 -21.422 5.199 412 HA GLN 57 HA GLN 57 45.433 -18.766 4.248 413 1HB GLN 57 HB2 GLN 57 43.864 -21.365 4.111 414 2HB GLN 57 HB3 GLN 57 43.229 -19.868 3.439 415 1HG GLN 57 HG2 GLN 57 45.933 -21.005 2.619 416 2HG GLN 57 HG3 GLN 57 44.424 -21.384 1.795 417 1HE2 GLN 57 HE22 GLN 57 43.300 -19.620 0.630 418 2HE2 GLN 57 HE21 GLN 57 44.220 -18.195 0.168 419 H MET 58 H MET 58 43.817 -20.716 6.799 420 HA MET 58 HA MET 58 41.745 -18.836 7.383 421 1HB MET 58 HB2 MET 58 41.664 -21.173 8.028 422 2HB MET 58 HB3 MET 58 43.092 -20.979 9.055 423 1HG MET 58 HG2 MET 58 41.773 -19.391 10.493 424 2HG MET 58 HG3 MET 58 40.373 -19.700 9.464 425 1HE MET 58 HE1 MET 58 42.795 -20.999 12.213 426 2HE MET 58 HE2 MET 58 42.306 -22.692 12.443 427 3HE MET 58 HE3 MET 58 43.167 -22.214 10.969 428 H ILE 59 H ILE 59 44.971 -19.294 8.929 429 HA ILE 59 HA ILE 59 44.627 -17.127 10.781 430 HB ILE 59 HB ILE 59 47.045 -18.663 9.759 431 1HG1 ILE 59 HG12 ILE 59 45.533 -18.879 12.423 432 2HG1 ILE 59 HG13 ILE 59 45.311 -19.998 11.079 433 1HG2 ILE 59 HG21 ILE 59 46.880 -16.913 12.240 434 2HG2 ILE 59 HG22 ILE 59 48.293 -17.782 11.575 435 3HG2 ILE 59 HG23 ILE 59 47.635 -16.397 10.728 436 1HD1 ILE 59 HD11 ILE 59 47.651 -20.643 11.152 437 2HD1 ILE 59 HD12 ILE 59 47.933 -19.594 12.559 438 3HD1 ILE 59 HD13 ILE 59 46.824 -20.958 12.702 439 H MET 60 H MET 60 46.018 -17.375 7.477 440 HA MET 60 HA MET 60 47.004 -14.707 7.475 441 1HB MET 60 HB2 MET 60 47.643 -16.572 5.901 442 2HB MET 60 HB3 MET 60 46.168 -16.217 4.988 443 1HG MET 60 HG2 MET 60 46.998 -13.892 4.684 444 2HG MET 60 HG3 MET 60 48.351 -14.254 5.785 445 1HE MET 60 HE1 MET 60 50.302 -15.324 5.414 446 2HE MET 60 HE2 MET 60 49.671 -16.937 4.987 447 3HE MET 60 HE3 MET 60 50.901 -16.143 3.967 448 H SER 61 H SER 61 43.849 -16.035 6.498 449 HA SER 61 HA SER 61 42.617 -13.636 5.596 450 1HB SER 61 HB2 SER 61 41.564 -16.147 6.944 451 2HB SER 61 HB3 SER 61 40.498 -14.772 6.586 452 HG SER 61 HG SER 61 40.596 -16.330 4.875 453 H GLU 62 H GLU 62 42.964 -14.891 8.965 454 HA GLU 62 HA GLU 62 41.742 -12.552 10.158 455 1HB GLU 62 HB2 GLU 62 43.556 -14.728 11.303 456 2HB GLU 62 HB3 GLU 62 42.846 -13.424 12.263 457 1HG GLU 62 HG2 GLU 62 40.565 -14.147 11.499 458 2HG GLU 62 HG3 GLU 62 41.301 -15.531 10.693 459 H TYR 63 H TYR 63 45.150 -13.411 9.604 460 HA TYR 63 HA TYR 63 46.357 -11.181 10.862 461 1HB TYR 63 HB2 TYR 63 47.630 -13.123 10.186 462 2HB TYR 63 HB3 TYR 63 47.194 -12.920 8.503 463 HD1 TYR 63 HD1 TYR 63 48.503 -11.752 7.011 464 HD2 TYR 63 HD2 TYR 63 49.115 -11.218 11.252 465 HE1 TYR 63 HE1 TYR 63 50.627 -10.588 6.543 466 HE2 TYR 63 HE2 TYR 63 51.242 -10.006 10.779 467 HH TYR 63 HH TYR 63 52.495 -9.565 7.459 468 H ASN 64 H ASN 64 45.323 -11.560 7.487 469 HA ASN 64 HA ASN 64 46.262 -8.973 6.662 470 1HB ASN 64 HB2 ASN 64 45.976 -10.893 5.118 471 2HB ASN 64 HB3 ASN 64 44.234 -10.876 5.399 472 1HD2 ASN 64 HD22 ASN 64 43.317 -10.158 3.494 473 2HD2 ASN 64 HD21 ASN 64 43.871 -8.737 2.624 474 H LEU 65 H LEU 65 43.081 -10.219 7.697 475 HA LEU 65 HA LEU 65 41.585 -7.820 7.284 476 1HB LEU 65 HB2 LEU 65 40.570 -10.046 7.583 477 2HB LEU 65 HB3 LEU 65 41.159 -10.106 9.246 478 HG LEU 65 HG LEU 65 39.695 -8.174 9.828 479 1HD1 LEU 65 HD11 LEU 65 37.899 -7.511 8.230 480 2HD1 LEU 65 HD12 LEU 65 39.500 -7.042 7.654 481 3HD1 LEU 65 HD13 LEU 65 38.693 -8.468 6.959 482 1HD2 LEU 65 HD21 LEU 65 38.908 -10.495 10.111 483 2HD2 LEU 65 HD22 LEU 65 37.575 -9.398 9.712 484 3HD2 LEU 65 HD23 LEU 65 38.243 -10.475 8.463 485 H TYR 66 H TYR 66 43.347 -9.001 10.171 486 HA TYR 66 HA TYR 66 42.663 -6.797 11.848 487 1HB TYR 66 HB2 TYR 66 43.716 -9.046 12.485 488 2HB TYR 66 HB3 TYR 66 45.264 -8.347 12.028 489 HD1 TYR 66 HD1 TYR 66 46.053 -6.220 13.288 490 HD2 TYR 66 HD2 TYR 66 42.664 -8.579 14.551 491 HE1 TYR 66 HE1 TYR 66 46.099 -5.102 15.509 492 HE2 TYR 66 HE2 TYR 66 42.743 -7.485 16.789 493 HH TYR 66 HH TYR 66 45.143 -4.944 17.585 494 H ARG 67 H ARG 67 45.451 -7.240 9.673 495 HA ARG 67 HA ARG 67 46.723 -4.699 10.133 496 1HB ARG 67 HB2 ARG 67 46.704 -6.629 7.785 497 2HB ARG 67 HB3 ARG 67 47.628 -5.119 7.760 498 1HG ARG 67 HG2 ARG 67 48.937 -5.782 9.691 499 2HG ARG 67 HG3 ARG 67 47.936 -7.212 9.953 500 1HD ARG 67 HD2 ARG 67 50.020 -7.849 8.920 501 2HD ARG 67 HD3 ARG 67 48.682 -8.180 7.826 502 HE ARG 67 HE ARG 67 49.320 -6.295 6.458 503 1HH1 ARG 67 HH21 ARG 67 51.806 -7.135 8.785 504 2HH1 ARG 67 HH22 ARG 67 52.995 -6.136 7.998 505 1HH2 ARG 67 HH11 ARG 67 50.905 -5.106 5.478 506 2HH2 ARG 67 HH12 ARG 67 52.504 -5.061 6.156 507 H ASN 68 H ASN 68 44.193 -5.589 7.773 508 HA ASN 68 HA ASN 68 43.908 -2.897 6.713 509 1HB ASN 68 HB2 ASN 68 42.216 -5.417 6.612 510 2HB ASN 68 HB3 ASN 68 41.591 -3.877 6.030 511 1HD2 ASN 68 HD22 ASN 68 44.142 -6.302 5.472 512 2HD2 ASN 68 HD21 ASN 68 44.496 -5.743 3.843 513 H ALA 69 H ALA 69 42.282 -4.526 9.427 514 HA ALA 69 HA ALA 69 40.541 -2.326 9.882 515 1HB ALA 69 HB1 ALA 69 40.118 -3.422 12.076 516 2HB ALA 69 HB2 ALA 69 40.120 -4.605 10.753 517 3HB ALA 69 HB3 ALA 69 41.531 -4.472 11.828 518 H GLN 70 H GLN 70 43.751 -3.081 11.289 519 HA GLN 70 HA GLN 70 44.046 -0.815 12.976 520 1HB GLN 70 HB2 GLN 70 45.489 -2.792 12.954 521 2HB GLN 70 HB3 GLN 70 46.099 -2.392 11.358 522 1HG GLN 70 HG2 GLN 70 46.452 -0.591 13.800 523 2HG GLN 70 HG3 GLN 70 47.584 -1.868 13.362 524 1HE2 GLN 70 HE22 GLN 70 48.264 -1.711 10.820 525 2HE2 GLN 70 HE21 GLN 70 48.747 -0.083 10.374 526 H SER 71 H SER 71 44.903 -1.190 9.496 527 HA SER 71 HA SER 71 45.757 1.506 9.076 528 1HB SER 71 HB2 SER 71 44.521 -0.415 7.060 529 2HB SER 71 HB3 SER 71 45.459 1.043 6.695 530 HG SER 71 HG SER 71 46.344 -1.359 7.942 531 H SER 72 H SER 72 42.502 0.048 8.820 532 HA SER 72 HA SER 72 41.185 2.409 7.806 533 1HB SER 72 HB2 SER 72 40.041 0.031 9.326 534 2HB SER 72 HB3 SER 72 39.103 1.268 8.471 535 HG SER 72 HG SER 72 40.947 -0.600 7.374 536 H ALA 73 H ALA 73 41.792 1.256 11.158 537 HA ALA 73 HA ALA 73 40.065 3.030 12.481 538 1HB ALA 73 HB1 ALA 73 41.473 2.581 14.460 539 2HB ALA 73 HB2 ALA 73 41.163 1.096 13.540 540 3HB ALA 73 HB3 ALA 73 42.741 1.909 13.417 541 H VAL 74 H VAL 74 43.375 3.653 11.338 542 HA VAL 74 HA VAL 74 43.756 6.257 12.419 543 HB VAL 74 HB VAL 74 44.833 4.753 10.000 544 1HG1 VAL 74 HG11 VAL 74 45.205 7.066 9.500 545 2HG1 VAL 74 HG12 VAL 74 45.819 7.372 11.149 546 3HG1 VAL 74 HG13 VAL 74 46.727 6.337 10.013 547 1HG2 VAL 74 HG21 VAL 74 45.406 3.785 12.221 548 2HG2 VAL 74 HG22 VAL 74 46.826 4.442 11.413 549 3HG2 VAL 74 HG23 VAL 74 46.057 5.357 12.729 550 H LYS 75 H LYS 75 41.758 5.160 9.782 551 HA LYS 75 HA LYS 75 41.208 7.949 8.842 552 1HB LYS 75 HB2 LYS 75 40.594 5.252 7.558 553 2HB LYS 75 HB3 LYS 75 40.264 6.819 6.843 554 1HG LYS 75 HG2 LYS 75 43.013 5.636 7.435 555 2HG LYS 75 HG3 LYS 75 42.254 5.799 5.860 556 1HD LYS 75 HD2 LYS 75 43.170 8.098 7.645 557 2HD LYS 75 HD3 LYS 75 43.980 7.495 6.197 558 1HE LYS 75 HE2 LYS 75 41.982 8.088 4.829 559 2HE LYS 75 HE3 LYS 75 41.192 8.738 6.271 560 1HZ LYS 75 HZ1 LYS 75 42.271 10.495 4.999 561 2HZ LYS 75 HZ2 LYS 75 43.006 10.363 6.448 562 3HZ LYS 75 HZ3 LYS 75 43.725 9.767 5.106 563 H SER 76 H SER 76 39.998 5.935 11.097 564 HA SER 76 HA SER 76 37.150 6.807 10.735 565 1HB SER 76 HB2 SER 76 38.052 4.079 11.729 566 2HB SER 76 HB3 SER 76 36.395 4.622 11.420 567 HG SER 76 HG SER 76 38.483 4.107 9.576 568 H MET 77 H MET 77 39.642 7.415 12.642 569 HA MET 77 HA MET 77 39.252 6.569 15.200 570 1HB MET 77 HB2 MET 77 41.185 7.776 14.446 571 2HB MET 77 HB3 MET 77 40.262 9.257 14.191 572 1HG MET 77 HG2 MET 77 40.476 7.985 16.935 573 2HG MET 77 HG3 MET 77 41.746 9.025 16.295 574 1HE MET 77 HE1 MET 77 39.996 11.259 19.020 575 2HE MET 77 HE2 MET 77 40.146 9.488 19.066 576 3HE MET 77 HE3 MET 77 41.513 10.484 18.508 577 H LYS 78 H LYS 78 37.588 9.452 13.846 578 HA LYS 78 HA LYS 78 36.250 10.149 16.307 579 1HB LYS 78 HB2 LYS 78 35.660 10.875 13.407 580 2HB LYS 78 HB3 LYS 78 34.828 11.575 14.804 581 1HG LYS 78 HG2 LYS 78 36.968 12.427 15.696 582 2HG LYS 78 HG3 LYS 78 37.838 11.738 14.313 583 1HD LYS 78 HD2 LYS 78 36.550 13.175 12.767 584 2HD LYS 78 HD3 LYS 78 35.663 13.871 14.143 585 1HE LYS 78 HE2 LYS 78 37.784 14.708 15.103 586 2HE LYS 78 HE3 LYS 78 38.692 13.984 13.770 587 1HZ LYS 78 HZ1 LYS 78 38.275 16.348 13.387 588 2HZ LYS 78 HZ2 LYS 78 37.516 15.471 12.242 589 3HZ LYS 78 HZ3 LYS 78 36.661 16.134 13.466 590 H ASP 79 H ASP 79 35.323 7.945 13.709 591 HA ASP 79 HA ASP 79 32.578 7.575 14.663 592 1HB ASP 79 HB2 ASP 79 33.267 7.236 12.300 593 2HB ASP 79 HB3 ASP 79 34.284 5.884 12.793 594 H ILE 80 H ILE 80 35.708 5.902 15.086 595 HA ILE 80 HA ILE 80 34.735 3.771 16.770 596 HB ILE 80 HB ILE 80 37.482 5.045 16.530 597 1HG1 ILE 80 HG12 ILE 80 36.447 2.377 15.444 598 2HG1 ILE 80 HG13 ILE 80 36.463 3.848 14.486 599 1HG2 ILE 80 HG21 ILE 80 38.344 2.986 17.656 600 2HG2 ILE 80 HG22 ILE 80 37.320 3.929 18.719 601 3HG2 ILE 80 HG23 ILE 80 36.672 2.465 17.950 602 1HD1 ILE 80 HD11 ILE 80 38.371 2.527 13.905 603 2HD1 ILE 80 HD12 ILE 80 38.927 4.006 14.717 604 3HD1 ILE 80 HD13 ILE 80 38.925 2.446 15.580 605 H ASP 81 H ASP 81 36.082 6.989 17.535 606 HA ASP 81 HA ASP 81 35.820 6.871 20.345 607 1HB ASP 81 HB2 ASP 81 37.094 8.587 19.150 608 2HB ASP 81 HB3 ASP 81 35.611 9.252 18.469 609 H SER 82 H SER 82 33.448 7.850 17.898 610 HA SER 82 HA SER 82 31.253 8.407 19.687 611 1HB SER 82 HB2 SER 82 31.223 7.600 16.752 612 2HB SER 82 HB3 SER 82 29.853 8.250 17.662 613 HG SER 82 HG SER 82 32.302 9.539 17.013 614 H SER 83 H SER 83 32.721 5.442 19.110 615 HA SER 83 HA SER 83 30.243 3.859 19.672 616 1HB SER 83 HB2 SER 83 32.728 2.996 18.146 617 2HB SER 83 HB3 SER 83 31.280 2.024 18.452 618 HG SER 83 HG SER 83 31.580 4.312 16.811 619 H ILE 84 H ILE 84 32.700 5.046 21.379 620 HA ILE 84 HA ILE 84 33.723 2.788 22.852 621 HB ILE 84 HB ILE 84 33.473 5.757 23.426 622 1HG1 ILE 84 HG12 ILE 84 35.876 3.949 22.856 623 2HG1 ILE 84 HG13 ILE 84 35.059 4.934 21.651 624 1HG2 ILE 84 HG21 ILE 84 33.440 4.689 25.638 625 2HG2 ILE 84 HG22 ILE 84 34.856 3.701 25.205 626 3HG2 ILE 84 HG23 ILE 84 34.980 5.466 25.375 627 1HD1 ILE 84 HD11 ILE 84 35.657 6.990 22.966 628 2HD1 ILE 84 HD12 ILE 84 36.667 5.959 24.012 629 3HD1 ILE 84 HD13 ILE 84 37.034 6.095 22.291 630 H LEU 85 H LEU 85 30.625 4.352 22.912 631 HA LEU 85 HA LEU 85 29.630 3.800 25.463 632 1HB LEU 85 HB2 LEU 85 28.573 5.167 23.669 633 2HB LEU 85 HB3 LEU 85 28.220 3.697 22.765 634 HG LEU 85 HG LEU 85 26.672 2.956 24.564 635 1HD1 LEU 85 HD11 LEU 85 27.662 4.093 26.534 636 2HD1 LEU 85 HD12 LEU 85 27.288 5.673 25.816 637 3HD1 LEU 85 HD13 LEU 85 25.981 4.580 26.314 638 1HD2 LEU 85 HD21 LEU 85 26.143 5.782 23.565 639 2HD2 LEU 85 HD22 LEU 85 25.842 4.280 22.662 640 3HD2 LEU 85 HD23 LEU 85 24.924 4.619 24.137 641 H GLU 86 H GLU 86 28.329 2.146 26.336 642 HA GLU 86 HA GLU 86 29.359 -0.428 26.225 643 1HB GLU 86 HB2 GLU 86 26.578 0.425 27.131 644 2HB GLU 86 HB3 GLU 86 27.369 -1.089 27.555 645 1HG GLU 86 HG2 GLU 86 28.266 1.711 28.355 646 2HG GLU 86 HG3 GLU 86 27.500 0.516 29.390 647 H HIS 87 H HIS 87 28.782 -2.409 25.455 648 HA HIS 87 HA HIS 87 27.624 -2.547 22.844 649 1HB HIS 87 HB2 HIS 87 29.509 -3.921 23.748 650 2HB HIS 87 HB3 HIS 87 28.365 -4.770 24.788 651 HD1 HIS 87 HD1 HIS 87 27.702 -7.052 23.725 652 HD2 HIS 87 HD2 HIS 87 28.600 -4.040 20.924 653 HE1 HIS 87 HE1 HIS 87 27.465 -8.124 21.424 654 H HIS 88 H HIS 88 26.061 -2.670 25.900 655 HA HIS 88 HA HIS 88 23.539 -3.680 24.688 656 1HB HIS 88 HB2 HIS 88 24.663 -5.568 25.840 657 2HB HIS 88 HB3 HIS 88 24.741 -4.619 27.325 658 HD1 HIS 88 HD1 HIS 88 21.927 -5.928 24.945 659 HD2 HIS 88 HD2 HIS 88 22.768 -5.030 28.973 660 HE1 HIS 88 HE1 HIS 88 19.842 -6.559 26.269 661 H HIS 89 H HIS 89 21.640 -2.981 25.717 662 HA HIS 89 HA HIS 89 21.673 -0.946 27.817 663 1HB HIS 89 HB2 HIS 89 22.291 0.216 25.617 664 2HB HIS 89 HB3 HIS 89 20.701 -0.236 25.012 665 HD1 HIS 89 HD1 HIS 89 22.128 1.730 28.075 666 HD2 HIS 89 HD2 HIS 89 18.936 1.660 25.329 667 HE1 HIS 89 HE1 HIS 89 20.725 3.802 28.559 668 H HIS 90 H HIS 90 19.359 -0.220 28.282 669 HA HIS 90 HA HIS 90 17.555 -2.504 28.266 670 1HB HIS 90 HB2 HIS 90 16.087 -1.130 29.575 671 2HB HIS 90 HB3 HIS 90 17.724 -0.989 30.188 672 HD1 HIS 90 HD1 HIS 90 18.644 1.485 30.388 673 HD2 HIS 90 HD2 HIS 90 15.110 1.060 28.140 674 HE1 HIS 90 HE1 HIS 90 17.807 3.845 29.916 675 H HIS 91 H HIS 91 15.286 -2.347 27.578 676 HA HIS 91 HA HIS 91 14.706 -0.674 25.195 677 1HB HIS 91 HB2 HIS 91 14.587 -3.722 25.252 678 2HB HIS 91 HB3 HIS 91 13.952 -2.707 23.964 679 HD1 HIS 91 HD1 HIS 91 17.255 -4.131 25.212 680 HD2 HIS 91 HD2 HIS 91 15.756 -1.440 22.343 681 HE1 HIS 91 HE1 HIS 91 19.154 -3.710 23.573 682 H HIS 92 H HIS 92 12.458 -0.726 24.579 683 HA HIS 92 HA HIS 92 10.445 -1.908 26.368 684 1HB HIS 92 HB2 HIS 92 10.955 0.216 27.489 685 2HB HIS 92 HB3 HIS 92 10.724 1.103 25.984 686 HD1 HIS 92 HD1 HIS 92 8.171 1.496 25.213 687 HD2 HIS 92 HD2 HIS 92 8.725 -0.674 28.771 688 HE1 HIS 92 HE1 HIS 92 5.880 1.377 26.336 Start of MODEL 13 1 1H MET 1 H1 MET 1 68.772 -44.918 49.996 2 2H MET 1 H2 MET 1 67.664 -43.871 49.412 3 3H MET 1 H3 MET 1 69.071 -44.090 48.612 4 HA MET 1 HA MET 1 68.791 -42.884 51.288 5 1HB MET 1 HB2 MET 1 71.283 -43.264 49.568 6 2HB MET 1 HB3 MET 1 71.192 -42.239 51.004 7 1HG MET 1 HG2 MET 1 70.533 -44.217 52.364 8 2HG MET 1 HG3 MET 1 70.775 -45.252 50.956 9 1HE MET 1 HE1 MET 1 73.068 -45.903 49.927 10 2HE MET 1 HE2 MET 1 73.457 -44.201 49.574 11 3HE MET 1 HE3 MET 1 74.630 -45.221 50.428 12 H SER 2 H SER 2 68.438 -40.727 51.357 13 HA SER 2 HA SER 2 68.869 -38.966 49.043 14 1HB SER 2 HB2 SER 2 66.500 -38.312 48.879 15 2HB SER 2 HB3 SER 2 66.726 -40.017 48.477 16 HG SER 2 HG SER 2 64.937 -39.689 49.882 17 H ASN 3 H ASN 3 67.827 -36.725 49.591 18 HA ASN 3 HA ASN 3 67.890 -36.024 52.454 19 1HB ASN 3 HB2 ASN 3 69.598 -34.286 52.114 20 2HB ASN 3 HB3 ASN 3 70.249 -35.863 51.715 21 1HD2 ASN 3 HD22 ASN 3 69.141 -32.737 50.323 22 2HD2 ASN 3 HD21 ASN 3 69.961 -33.015 48.797 23 HA PRO 4 HA PRO 4 64.869 -33.042 51.042 24 1HB PRO 4 HB2 PRO 4 65.019 -31.028 52.881 25 2HB PRO 4 HB3 PRO 4 64.384 -32.656 53.264 26 1HG PRO 4 HG2 PRO 4 67.179 -31.585 53.757 27 2HG PRO 4 HG3 PRO 4 66.107 -32.455 54.903 28 1HD PRO 4 HD2 PRO 4 68.068 -33.710 53.492 29 2HD PRO 4 HD3 PRO 4 66.531 -34.528 53.861 30 HA PRO 5 HA PRO 5 66.861 -29.910 48.456 31 1HB PRO 5 HB2 PRO 5 64.541 -28.174 49.329 32 2HB PRO 5 HB3 PRO 5 65.188 -28.435 47.678 33 1HG PRO 5 HG2 PRO 5 62.930 -29.697 48.483 34 2HG PRO 5 HG3 PRO 5 64.173 -30.595 47.551 35 1HD PRO 5 HD2 PRO 5 63.667 -30.642 50.533 36 2HD PRO 5 HD3 PRO 5 64.050 -31.978 49.411 37 H THR 6 H THR 6 65.732 -28.981 51.649 38 HA THR 6 HA THR 6 66.305 -27.537 53.248 39 HB THR 6 HB THR 6 68.401 -26.634 53.628 40 HG1 THR 6 HG1 THR 6 68.878 -27.200 50.923 41 1HG2 THR 6 HG21 THR 6 68.818 -29.369 52.373 42 2HG2 THR 6 HG22 THR 6 69.826 -28.584 53.607 43 3HG2 THR 6 HG23 THR 6 68.162 -29.053 53.997 44 HA PRO 7 HA PRO 7 64.412 -23.853 52.401 45 1HB PRO 7 HB2 PRO 7 66.411 -22.467 54.202 46 2HB PRO 7 HB3 PRO 7 64.622 -22.337 54.181 47 1HG PRO 7 HG2 PRO 7 65.850 -23.931 56.001 48 2HG PRO 7 HG3 PRO 7 64.368 -24.490 55.161 49 1HD PRO 7 HD2 PRO 7 67.242 -25.218 54.606 50 2HD PRO 7 HD3 PRO 7 65.800 -26.238 54.603 51 H LEU 8 H LEU 8 64.308 -22.112 51.083 52 HA LEU 8 HA LEU 8 66.639 -20.615 50.145 53 1HB LEU 8 HB2 LEU 8 66.528 -22.699 48.707 54 2HB LEU 8 HB3 LEU 8 64.894 -22.249 48.238 55 HG LEU 8 HG LEU 8 65.789 -20.194 47.136 56 1HD1 LEU 8 HD11 LEU 8 68.241 -20.032 46.736 57 2HD1 LEU 8 HD12 LEU 8 67.857 -19.825 48.445 58 3HD1 LEU 8 HD13 LEU 8 68.509 -21.374 47.867 59 1HD2 LEU 8 HD21 LEU 8 65.475 -22.272 45.858 60 2HD2 LEU 8 HD22 LEU 8 66.855 -21.342 45.252 61 3HD2 LEU 8 HD23 LEU 8 67.130 -22.782 46.262 62 H LEU 9 H LEU 9 66.009 -18.623 49.136 63 HA LEU 9 HA LEU 9 63.109 -17.926 49.180 64 1HB LEU 9 HB2 LEU 9 63.632 -15.868 50.438 65 2HB LEU 9 HB3 LEU 9 63.872 -17.356 51.326 66 HG LEU 9 HG LEU 9 66.318 -17.165 51.095 67 1HD1 LEU 9 HD11 LEU 9 67.301 -14.973 50.365 68 2HD1 LEU 9 HD12 LEU 9 66.642 -15.920 49.038 69 3HD1 LEU 9 HD13 LEU 9 65.722 -14.534 49.677 70 1HD2 LEU 9 HD21 LEU 9 66.591 -15.263 52.613 71 2HD2 LEU 9 HD22 LEU 9 64.990 -14.639 52.152 72 3HD2 LEU 9 HD23 LEU 9 65.136 -16.181 53.024 73 H ALA 10 H ALA 10 65.698 -17.949 47.169 74 HA ALA 10 HA ALA 10 64.471 -16.035 45.326 75 1HB ALA 10 HB1 ALA 10 66.542 -14.708 45.038 76 2HB ALA 10 HB2 ALA 10 65.900 -14.534 46.680 77 3HB ALA 10 HB3 ALA 10 67.304 -15.584 46.382 78 H ASP 11 H ASP 11 65.113 -16.378 43.219 79 HA ASP 11 HA ASP 11 67.445 -17.897 42.433 80 1HB ASP 11 HB2 ASP 11 65.936 -19.802 42.958 81 2HB ASP 11 HB3 ASP 11 64.707 -19.133 41.887 82 H TYR 12 H TYR 12 64.212 -16.783 41.391 83 HA TYR 12 HA TYR 12 65.378 -14.793 39.593 84 1HB TYR 12 HB2 TYR 12 65.117 -16.794 38.135 85 2HB TYR 12 HB3 TYR 12 63.424 -16.911 38.593 86 HD1 TYR 12 HD1 TYR 12 61.814 -15.878 37.199 87 HD2 TYR 12 HD2 TYR 12 65.898 -14.476 37.115 88 HE1 TYR 12 HE1 TYR 12 61.258 -14.370 35.299 89 HE2 TYR 12 HE2 TYR 12 65.329 -12.953 35.222 90 HH TYR 12 HH TYR 12 62.051 -12.856 33.780 91 H GLU 13 H GLU 13 63.932 -13.068 39.232 92 HA GLU 13 HA GLU 13 61.375 -12.951 40.729 93 1HB GLU 13 HB2 GLU 13 63.948 -11.501 41.462 94 2HB GLU 13 HB3 GLU 13 62.395 -10.802 41.870 95 1HG GLU 13 HG2 GLU 13 63.433 -13.489 42.824 96 2HG GLU 13 HG3 GLU 13 63.363 -11.998 43.746 97 H TRP 14 H TRP 14 60.665 -10.475 40.670 98 HA TRP 14 HA TRP 14 59.903 -9.918 38.023 99 1HB TRP 14 HB2 TRP 14 58.968 -7.859 38.958 100 2HB TRP 14 HB3 TRP 14 58.617 -9.257 39.956 101 HD1 TRP 14 HD1 TRP 14 59.519 -9.284 42.410 102 HE1 TRP 14 HE1 TRP 14 60.628 -7.550 43.940 103 HE3 TRP 14 HE3 TRP 14 60.699 -5.727 38.902 104 HZ2 TRP 14 HZ2 TRP 14 61.859 -4.954 43.687 105 HZ3 TRP 14 HZ3 TRP 14 61.842 -3.631 39.583 106 HH2 TRP 14 HH2 TRP 14 62.423 -3.231 41.966 107 H SER 15 H SER 15 62.918 -9.026 39.457 108 HA SER 15 HA SER 15 63.689 -6.671 38.194 109 1HB SER 15 HB2 SER 15 65.350 -9.185 38.635 110 2HB SER 15 HB3 SER 15 65.981 -7.548 38.356 111 HG SER 15 HG SER 15 65.899 -8.053 40.590 112 H GLY 16 H GLY 16 63.740 -6.061 36.116 113 1HA GLY 16 HA2 GLY 16 64.219 -6.079 33.837 114 2HA GLY 16 HA3 GLY 16 64.743 -7.762 33.960 115 H TYR 17 H TYR 17 62.391 -8.947 34.987 116 HA TYR 17 HA TYR 17 60.685 -9.309 32.739 117 1HB TYR 17 HB2 TYR 17 60.834 -10.953 34.504 118 2HB TYR 17 HB3 TYR 17 60.263 -9.807 35.703 119 HD1 TYR 17 HD1 TYR 17 57.938 -9.533 36.147 120 HD2 TYR 17 HD2 TYR 17 59.226 -11.648 32.608 121 HE1 TYR 17 HE1 TYR 17 55.589 -10.242 35.709 122 HE2 TYR 17 HE2 TYR 17 56.877 -12.352 32.175 123 HH TYR 17 HH TYR 17 54.703 -12.275 32.891 124 H LEU 18 H LEU 18 60.284 -7.182 35.563 125 HA LEU 18 HA LEU 18 57.776 -6.047 34.891 126 1HB LEU 18 HB2 LEU 18 58.911 -5.879 37.082 127 2HB LEU 18 HB3 LEU 18 60.152 -4.846 36.371 128 HG LEU 18 HG LEU 18 58.449 -3.093 35.924 129 1HD1 LEU 18 HD11 LEU 18 56.204 -3.284 36.991 130 2HD1 LEU 18 HD12 LEU 18 56.408 -4.439 35.673 131 3HD1 LEU 18 HD13 LEU 18 56.537 -4.990 37.361 132 1HD2 LEU 18 HD21 LEU 18 58.451 -4.103 38.797 133 2HD2 LEU 18 HD22 LEU 18 59.709 -3.100 38.041 134 3HD2 LEU 18 HD23 LEU 18 58.078 -2.448 38.263 135 H THR 19 H THR 19 61.058 -5.096 33.810 136 HA THR 19 HA THR 19 60.271 -2.787 32.278 137 HB THR 19 HB THR 19 62.624 -4.602 31.659 138 HG1 THR 19 HG1 THR 19 62.511 -2.539 33.601 139 1HG2 THR 19 HG21 THR 19 63.742 -2.474 31.085 140 2HG2 THR 19 HG22 THR 19 62.309 -2.748 30.086 141 3HG2 THR 19 HG23 THR 19 62.238 -1.587 31.430 142 H GLY 20 H GLY 20 60.519 -6.234 31.521 143 1HA GLY 20 HA2 GLY 20 60.069 -6.293 28.746 144 2HA GLY 20 HA3 GLY 20 59.566 -7.532 29.908 145 H ILE 21 H ILE 21 57.659 -5.966 31.354 146 HA ILE 21 HA ILE 21 55.287 -6.267 29.843 147 HB ILE 21 HB ILE 21 55.676 -4.360 32.173 148 1HG1 ILE 21 HG12 ILE 21 56.494 -6.499 32.920 149 2HG1 ILE 21 HG13 ILE 21 54.943 -6.185 33.655 150 1HG2 ILE 21 HG21 ILE 21 53.262 -4.870 32.626 151 2HG2 ILE 21 HG22 ILE 21 53.530 -3.991 31.124 152 3HG2 ILE 21 HG23 ILE 21 53.187 -5.730 31.073 153 1HD1 ILE 21 HD11 ILE 21 53.856 -7.763 32.056 154 2HD1 ILE 21 HD12 ILE 21 55.445 -8.084 31.317 155 3HD1 ILE 21 HD13 ILE 21 55.141 -8.531 33.001 156 H GLY 22 H GLY 22 57.433 -3.468 30.033 157 1HA GLY 22 HA2 GLY 22 55.811 -1.488 28.763 158 2HA GLY 22 HA3 GLY 22 57.581 -1.565 28.772 159 H ARG 23 H ARG 23 57.879 -4.041 27.404 160 HA ARG 23 HA ARG 23 57.332 -3.284 24.590 161 1HB ARG 23 HB2 ARG 23 59.546 -4.168 25.333 162 2HB ARG 23 HB3 ARG 23 58.779 -5.705 25.758 163 1HG ARG 23 HG2 ARG 23 58.125 -6.038 23.396 164 2HG ARG 23 HG3 ARG 23 58.824 -4.472 22.960 165 1HD ARG 23 HD2 ARG 23 61.057 -5.248 23.516 166 2HD ARG 23 HD3 ARG 23 60.434 -6.750 24.202 167 HE ARG 23 HE ARG 23 60.800 -6.105 21.361 168 1HH1 ARG 23 HH21 ARG 23 59.206 -8.330 23.557 169 2HH1 ARG 23 HH22 ARG 23 58.641 -9.344 22.240 170 1HH2 ARG 23 HH11 ARG 23 60.214 -7.593 19.775 171 2HH2 ARG 23 HH12 ARG 23 59.336 -9.028 20.241 172 H ALA 24 H ALA 24 55.991 -5.517 26.977 173 HA ALA 24 HA ALA 24 54.730 -7.236 25.115 174 1HB ALA 24 HB1 ALA 24 55.114 -7.743 27.554 175 2HB ALA 24 HB2 ALA 24 53.820 -6.586 27.958 176 3HB ALA 24 HB3 ALA 24 53.445 -8.056 27.040 177 H PHE 25 H PHE 25 53.704 -4.035 25.916 178 HA PHE 25 HA PHE 25 51.044 -4.374 24.927 179 1HB PHE 25 HB2 PHE 25 52.772 -1.870 24.803 180 2HB PHE 25 HB3 PHE 25 51.016 -1.926 24.742 181 HD1 PHE 25 HD1 PHE 25 50.070 -3.484 26.923 182 HD2 PHE 25 HD2 PHE 25 53.546 -0.932 26.799 183 HE1 PHE 25 HE1 PHE 25 49.971 -3.222 29.390 184 HE2 PHE 25 HE2 PHE 25 53.437 -0.666 29.264 185 HZ PHE 25 HZ PHE 25 51.653 -1.815 30.565 186 H ASP 26 H ASP 26 53.957 -4.634 23.270 187 HA ASP 26 HA ASP 26 52.723 -4.210 20.568 188 1HB ASP 26 HB2 ASP 26 54.599 -2.716 21.101 189 2HB ASP 26 HB3 ASP 26 55.581 -4.101 21.594 190 H ASP 27 H ASP 27 54.972 -6.319 22.455 191 HA ASP 27 HA ASP 27 55.194 -8.434 20.600 192 1HB ASP 27 HB2 ASP 27 56.469 -8.049 22.771 193 2HB ASP 27 HB3 ASP 27 55.088 -8.742 23.617 194 H GLY 28 H GLY 28 52.635 -7.775 22.955 195 1HA GLY 28 HA2 GLY 28 51.077 -10.149 22.652 196 2HA GLY 28 HA3 GLY 28 50.519 -8.583 23.250 197 H VAL 29 H VAL 29 51.597 -7.706 20.310 198 HA VAL 29 HA VAL 29 49.154 -8.583 18.815 199 HB VAL 29 HB VAL 29 50.619 -6.068 18.044 200 1HG1 VAL 29 HG11 VAL 29 48.945 -7.107 16.536 201 2HG1 VAL 29 HG12 VAL 29 47.748 -7.091 17.838 202 3HG1 VAL 29 HG13 VAL 29 48.348 -5.556 17.153 203 1HG2 VAL 29 HG21 VAL 29 48.436 -6.224 20.166 204 2HG2 VAL 29 HG22 VAL 29 50.093 -5.601 20.376 205 3HG2 VAL 29 HG23 VAL 29 48.958 -4.738 19.337 206 H LYS 30 H LYS 30 52.652 -8.023 18.598 207 HA LYS 30 HA LYS 30 52.995 -9.107 15.950 208 1HB LYS 30 HB2 LYS 30 54.801 -9.073 18.403 209 2HB LYS 30 HB3 LYS 30 55.282 -9.838 16.882 210 1HG LYS 30 HG2 LYS 30 54.920 -7.722 15.663 211 2HG LYS 30 HG3 LYS 30 54.484 -6.910 17.180 212 1HD LYS 30 HD2 LYS 30 56.720 -7.236 18.076 213 2HD LYS 30 HD3 LYS 30 57.148 -8.329 16.755 214 1HE LYS 30 HE2 LYS 30 58.205 -6.212 16.350 215 2HE LYS 30 HE3 LYS 30 56.971 -6.489 15.119 216 1HZ LYS 30 HZ1 LYS 30 56.934 -4.207 16.038 217 2HZ LYS 30 HZ2 LYS 30 55.513 -4.961 16.325 218 3HZ LYS 30 HZ3 LYS 30 56.589 -4.788 17.531 219 H ASP 31 H ASP 31 52.118 -10.578 18.923 220 HA ASP 31 HA ASP 31 52.357 -13.273 18.714 221 1HB ASP 31 HB2 ASP 31 51.165 -11.982 20.470 222 2HB ASP 31 HB3 ASP 31 49.860 -11.623 19.332 223 H LEU 32 H LEU 32 49.944 -11.380 16.836 224 HA LEU 32 HA LEU 32 48.680 -13.692 15.665 225 1HB LEU 32 HB2 LEU 32 48.003 -11.110 15.932 226 2HB LEU 32 HB3 LEU 32 48.768 -10.944 14.376 227 HG LEU 32 HG LEU 32 46.309 -12.586 15.125 228 1HD1 LEU 32 HD11 LEU 32 46.012 -10.157 14.752 229 2HD1 LEU 32 HD12 LEU 32 46.737 -10.311 13.139 230 3HD1 LEU 32 HD13 LEU 32 45.192 -11.108 13.505 231 1HD2 LEU 32 HD21 LEU 32 47.770 -12.604 12.461 232 2HD2 LEU 32 HD22 LEU 32 47.400 -13.994 13.506 233 3HD2 LEU 32 HD23 LEU 32 46.092 -13.151 12.685 234 H ASN 33 H ASN 33 51.303 -11.552 14.640 235 HA ASN 33 HA ASN 33 51.748 -12.857 12.065 236 1HB ASN 33 HB2 ASN 33 52.518 -10.543 12.516 237 2HB ASN 33 HB3 ASN 33 53.653 -11.150 13.721 238 1HD2 ASN 33 HD22 ASN 33 53.018 -10.890 10.233 239 2HD2 ASN 33 HD21 ASN 33 54.591 -11.498 9.774 240 H LYS 34 H LYS 34 53.000 -13.406 15.351 241 HA LYS 34 HA LYS 34 54.813 -15.520 14.602 242 1HB LYS 34 HB2 LYS 34 54.954 -14.252 16.738 243 2HB LYS 34 HB3 LYS 34 53.460 -15.005 17.283 244 1HG LYS 34 HG2 LYS 34 55.372 -16.075 18.308 245 2HG LYS 34 HG3 LYS 34 54.522 -17.220 17.271 246 1HD LYS 34 HD2 LYS 34 56.266 -16.951 15.518 247 2HD LYS 34 HD3 LYS 34 57.039 -15.684 16.478 248 1HE LYS 34 HE2 LYS 34 58.303 -17.693 16.768 249 2HE LYS 34 HE3 LYS 34 57.483 -17.341 18.288 250 1HZ LYS 34 HZ1 LYS 34 57.323 -19.698 17.659 251 2HZ LYS 34 HZ2 LYS 34 55.834 -19.040 17.721 252 3HZ LYS 34 HZ3 LYS 34 56.547 -19.325 16.274 253 H GLN 35 H GLN 35 51.384 -15.590 15.535 254 HA GLN 35 HA GLN 35 50.992 -18.437 15.355 255 1HB GLN 35 HB2 GLN 35 49.082 -16.143 14.714 256 2HB GLN 35 HB3 GLN 35 48.632 -17.839 14.717 257 1HG GLN 35 HG2 GLN 35 49.155 -18.021 17.097 258 2HG GLN 35 HG3 GLN 35 49.665 -16.343 17.158 259 1HE2 GLN 35 HE22 GLN 35 48.019 -15.109 18.200 260 2HE2 GLN 35 HE21 GLN 35 46.315 -15.365 17.855 261 H LEU 36 H LEU 36 50.979 -15.902 12.865 262 HA LEU 36 HA LEU 36 50.300 -17.661 10.679 263 1HB LEU 36 HB2 LEU 36 49.870 -15.243 10.814 264 2HB LEU 36 HB3 LEU 36 51.601 -14.952 10.613 265 HG LEU 36 HG LEU 36 51.584 -16.007 8.421 266 1HD1 LEU 36 HD11 LEU 36 48.628 -16.544 8.830 267 2HD1 LEU 36 HD12 LEU 36 49.448 -16.550 7.278 268 3HD1 LEU 36 HD13 LEU 36 49.889 -17.749 8.511 269 1HD2 LEU 36 HD21 LEU 36 50.141 -14.293 7.346 270 2HD2 LEU 36 HD22 LEU 36 49.198 -14.190 8.837 271 3HD2 LEU 36 HD23 LEU 36 50.877 -13.606 8.799 272 H GLN 37 H GLN 37 53.465 -16.474 11.894 273 HA GLN 37 HA GLN 37 54.997 -17.968 9.946 274 1HB GLN 37 HB2 GLN 37 55.696 -16.927 12.731 275 2HB GLN 37 HB3 GLN 37 56.841 -17.771 11.684 276 1HG GLN 37 HG2 GLN 37 56.492 -16.023 9.920 277 2HG GLN 37 HG3 GLN 37 55.457 -15.134 11.035 278 1HE2 GLN 37 HE22 GLN 37 56.596 -13.417 12.001 279 2HE2 GLN 37 HE21 GLN 37 58.303 -13.519 12.424 280 H ASP 38 H ASP 38 53.605 -18.891 13.101 281 HA ASP 38 HA ASP 38 54.716 -21.554 13.099 282 1HB ASP 38 HB2 ASP 38 53.722 -20.440 15.094 283 2HB ASP 38 HB3 ASP 38 52.125 -20.602 14.370 284 H ALA 39 H ALA 39 51.735 -20.206 11.648 285 HA ALA 39 HA ALA 39 50.822 -22.667 10.528 286 1HB ALA 39 HB1 ALA 39 49.314 -21.463 9.298 287 2HB ALA 39 HB2 ALA 39 49.738 -20.141 10.460 288 3HB ALA 39 HB3 ALA 39 50.464 -20.193 8.855 289 H GLN 40 H GLN 40 52.998 -20.200 9.248 290 HA GLN 40 HA GLN 40 53.577 -21.491 6.765 291 1HB GLN 40 HB2 GLN 40 53.913 -19.001 7.586 292 2HB GLN 40 HB3 GLN 40 55.439 -19.573 8.242 293 1HG GLN 40 HG2 GLN 40 56.177 -20.298 6.011 294 2HG GLN 40 HG3 GLN 40 54.622 -19.848 5.312 295 1HE2 GLN 40 HE21 GLN 40 57.591 -18.823 5.014 296 2HE2 GLN 40 HE22 GLN 40 57.362 -17.082 5.108 297 H ALA 41 H ALA 41 54.979 -21.979 9.978 298 HA ALA 41 HA ALA 41 57.093 -23.741 8.930 299 1HB ALA 41 HB1 ALA 41 57.625 -24.186 11.216 300 2HB ALA 41 HB2 ALA 41 57.463 -22.441 10.951 301 3HB ALA 41 HB3 ALA 41 56.156 -23.339 11.780 302 H ASN 42 H ASN 42 53.809 -24.347 10.272 303 HA ASN 42 HA ASN 42 54.140 -27.259 10.010 304 1HB ASN 42 HB2 ASN 42 51.591 -25.526 10.140 305 2HB ASN 42 HB3 ASN 42 51.639 -27.249 9.979 306 1HD2 ASN 42 HD22 ASN 42 52.495 -24.624 12.258 307 2HD2 ASN 42 HD21 ASN 42 52.486 -25.695 13.642 308 H LEU 43 H LEU 43 53.199 -24.580 7.876 309 HA LEU 43 HA LEU 43 52.917 -26.267 5.603 310 1HB LEU 43 HB2 LEU 43 52.174 -23.698 6.112 311 2HB LEU 43 HB3 LEU 43 53.736 -23.368 5.381 312 HG LEU 43 HG LEU 43 53.115 -24.759 3.455 313 1HD1 LEU 43 HD11 LEU 43 50.517 -25.023 3.289 314 2HD1 LEU 43 HD12 LEU 43 51.335 -26.150 4.333 315 3HD1 LEU 43 HD13 LEU 43 50.535 -24.714 5.067 316 1HD2 LEU 43 HD21 LEU 43 51.594 -23.232 2.390 317 2HD2 LEU 43 HD22 LEU 43 51.156 -22.504 3.963 318 3HD2 LEU 43 HD23 LEU 43 52.817 -22.323 3.313 319 H THR 44 H THR 44 55.766 -24.583 6.974 320 HA THR 44 HA THR 44 57.460 -25.276 4.813 321 HB THR 44 HB THR 44 58.196 -24.936 7.734 322 HG1 THR 44 HG1 THR 44 57.393 -23.100 6.544 323 1HG2 THR 44 HG21 THR 44 60.487 -24.546 6.809 324 2HG2 THR 44 HG22 THR 44 59.929 -26.233 6.773 325 3HG2 THR 44 HG23 THR 44 59.902 -25.274 5.269 326 H LYS 45 H LYS 45 56.527 -27.091 7.681 327 HA LYS 45 HA LYS 45 58.069 -29.436 7.288 328 1HB LYS 45 HB2 LYS 45 57.193 -29.192 9.403 329 2HB LYS 45 HB3 LYS 45 55.681 -28.526 8.849 330 1HG LYS 45 HG2 LYS 45 54.709 -30.575 8.363 331 2HG LYS 45 HG3 LYS 45 56.246 -31.468 8.525 332 1HD LYS 45 HD2 LYS 45 54.825 -31.875 10.452 333 2HD LYS 45 HD3 LYS 45 56.254 -30.960 10.960 334 1HE LYS 45 HE2 LYS 45 54.972 -28.883 11.005 335 2HE LYS 45 HE3 LYS 45 53.561 -29.686 10.294 336 1HZ LYS 45 HZ1 LYS 45 54.678 -30.261 12.986 337 2HZ LYS 45 HZ2 LYS 45 53.309 -29.417 12.665 338 3HZ LYS 45 HZ3 LYS 45 53.385 -31.015 12.326 339 H ASN 46 H ASN 46 54.928 -28.561 5.879 340 HA ASN 46 HA ASN 46 55.538 -30.300 3.658 341 1HB ASN 46 HB2 ASN 46 54.380 -31.762 5.262 342 2HB ASN 46 HB3 ASN 46 53.039 -30.649 5.224 343 1HD2 ASN 46 HD21 ASN 46 52.962 -33.487 4.498 344 2HD2 ASN 46 HD22 ASN 46 52.694 -33.613 2.767 345 HA PRO 47 HA PRO 47 54.472 -26.087 2.426 346 1HB PRO 47 HB2 PRO 47 55.306 -27.344 -0.154 347 2HB PRO 47 HB3 PRO 47 55.559 -25.658 0.459 348 1HG PRO 47 HG2 PRO 47 57.518 -27.551 0.709 349 2HG PRO 47 HG3 PRO 47 57.180 -26.379 2.023 350 1HD PRO 47 HD2 PRO 47 56.543 -29.282 1.931 351 2HD PRO 47 HD3 PRO 47 56.763 -28.205 3.307 352 H SER 48 H SER 48 52.974 -28.854 0.611 353 HA SER 48 HA SER 48 50.574 -27.202 0.691 354 1HB SER 48 HB2 SER 48 50.017 -28.011 -1.465 355 2HB SER 48 HB3 SER 48 51.656 -27.338 -1.467 356 HG SER 48 HG SER 48 51.531 -29.361 -2.614 357 H ASP 49 H ASP 49 51.342 -28.987 2.723 358 HA ASP 49 HA ASP 49 49.457 -31.216 2.750 359 1HB ASP 49 HB2 ASP 49 51.103 -31.327 4.345 360 2HB ASP 49 HB3 ASP 49 50.965 -29.711 4.916 361 HA PRO 50 HA PRO 50 46.174 -28.401 2.331 362 1HB PRO 50 HB2 PRO 50 44.005 -29.976 2.775 363 2HB PRO 50 HB3 PRO 50 45.046 -29.994 1.292 364 1HG PRO 50 HG2 PRO 50 45.088 -31.854 3.709 365 2HG PRO 50 HG3 PRO 50 45.190 -32.307 1.976 366 1HD PRO 50 HD2 PRO 50 47.403 -32.027 3.625 367 2HD PRO 50 HD3 PRO 50 47.454 -31.666 1.866 368 H THR 51 H THR 51 46.362 -30.083 5.450 369 HA THR 51 HA THR 51 44.468 -28.179 6.772 370 HB THR 51 HB THR 51 46.239 -30.413 7.655 371 HG1 THR 51 HG1 THR 51 44.153 -30.873 6.877 372 1HG2 THR 51 HG21 THR 51 44.807 -28.436 9.433 373 2HG2 THR 51 HG22 THR 51 45.372 -30.037 9.983 374 3HG2 THR 51 HG23 THR 51 46.548 -28.826 9.439 375 H ALA 52 H ALA 52 48.031 -28.699 6.513 376 HA ALA 52 HA ALA 52 48.782 -26.341 8.016 377 1HB ALA 52 HB1 ALA 52 50.325 -28.232 7.240 378 2HB ALA 52 HB2 ALA 52 50.048 -27.728 5.574 379 3HB ALA 52 HB3 ALA 52 50.878 -26.627 6.689 380 H LEU 53 H LEU 53 47.960 -26.734 4.612 381 HA LEU 53 HA LEU 53 48.382 -23.953 4.083 382 1HB LEU 53 HB2 LEU 53 48.665 -25.988 2.648 383 2HB LEU 53 HB3 LEU 53 46.927 -26.051 2.409 384 HG LEU 53 HG LEU 53 46.999 -24.352 0.844 385 1HD1 LEU 53 HD11 LEU 53 47.760 -22.504 2.217 386 2HD1 LEU 53 HD12 LEU 53 49.399 -23.207 2.279 387 3HD1 LEU 53 HD13 LEU 53 48.760 -22.587 0.743 388 1HD2 LEU 53 HD21 LEU 53 49.949 -25.127 0.954 389 2HD2 LEU 53 HD22 LEU 53 48.635 -26.179 0.281 390 3HD2 LEU 53 HD23 LEU 53 49.036 -24.622 -0.491 391 H ALA 54 H ALA 54 45.434 -25.895 4.737 392 HA ALA 54 HA ALA 54 43.546 -23.782 4.543 393 1HB ALA 54 HB1 ALA 54 43.687 -26.279 6.335 394 2HB ALA 54 HB2 ALA 54 42.249 -25.246 6.185 395 3HB ALA 54 HB3 ALA 54 42.849 -26.132 4.776 396 H ASN 55 H ASN 55 45.636 -24.838 7.218 397 HA ASN 55 HA ASN 55 44.694 -23.060 9.192 398 1HB ASN 55 HB2 ASN 55 45.989 -25.057 9.728 399 2HB ASN 55 HB3 ASN 55 47.334 -24.512 8.749 400 1HD2 ASN 55 HD22 ASN 55 48.992 -23.885 9.839 401 2HD2 ASN 55 HD21 ASN 55 48.921 -23.171 11.461 402 H TYR 56 H TYR 56 47.652 -22.883 7.195 403 HA TYR 56 HA TYR 56 48.307 -20.150 7.740 404 1HB TYR 56 HB2 TYR 56 49.922 -21.534 6.740 405 2HB TYR 56 HB3 TYR 56 48.847 -22.053 5.448 406 HD1 TYR 56 HD1 TYR 56 48.476 -20.611 3.484 407 HD2 TYR 56 HD2 TYR 56 51.350 -19.651 6.555 408 HE1 TYR 56 HE1 TYR 56 49.777 -19.243 1.846 409 HE2 TYR 56 HE2 TYR 56 52.650 -18.311 4.924 410 HH TYR 56 HH TYR 56 52.846 -17.626 2.734 411 H GLN 57 H GLN 57 46.056 -21.332 5.205 412 HA GLN 57 HA GLN 57 45.573 -18.655 4.263 413 1HB GLN 57 HB2 GLN 57 43.990 -21.229 4.016 414 2HB GLN 57 HB3 GLN 57 43.384 -19.708 3.369 415 1HG GLN 57 HG2 GLN 57 46.096 -20.868 2.607 416 2HG GLN 57 HG3 GLN 57 44.615 -21.137 1.697 417 1HE2 GLN 57 HE22 GLN 57 47.248 -18.898 2.244 418 2HE2 GLN 57 HE21 GLN 57 46.627 -17.653 1.177 419 H MET 58 H MET 58 43.923 -20.586 6.794 420 HA MET 58 HA MET 58 41.855 -18.687 7.357 421 1HB MET 58 HB2 MET 58 41.771 -21.060 7.990 422 2HB MET 58 HB3 MET 58 43.160 -20.846 9.061 423 1HG MET 58 HG2 MET 58 41.808 -19.288 10.464 424 2HG MET 58 HG3 MET 58 40.447 -19.524 9.365 425 1HE MET 58 HE1 MET 58 42.130 -22.687 12.322 426 2HE MET 58 HE2 MET 58 43.053 -22.229 10.880 427 3HE MET 58 HE3 MET 58 42.728 -21.023 12.147 428 H ILE 59 H ILE 59 45.071 -19.173 8.919 429 HA ILE 59 HA ILE 59 44.737 -16.999 10.770 430 HB ILE 59 HB ILE 59 47.146 -18.549 9.756 431 1HG1 ILE 59 HG12 ILE 59 45.631 -18.761 12.415 432 2HG1 ILE 59 HG13 ILE 59 45.416 -19.882 11.076 433 1HG2 ILE 59 HG21 ILE 59 47.710 -16.263 10.757 434 2HG2 ILE 59 HG22 ILE 59 47.015 -16.849 12.270 435 3HG2 ILE 59 HG23 ILE 59 48.418 -17.675 11.526 436 1HD1 ILE 59 HD11 ILE 59 47.769 -20.517 11.166 437 2HD1 ILE 59 HD12 ILE 59 48.036 -19.464 12.571 438 3HD1 ILE 59 HD13 ILE 59 46.935 -20.835 12.709 439 H MET 60 H MET 60 46.165 -17.282 7.484 440 HA MET 60 HA MET 60 47.155 -14.616 7.448 441 1HB MET 60 HB2 MET 60 47.794 -16.504 5.911 442 2HB MET 60 HB3 MET 60 46.329 -16.168 4.981 443 1HG MET 60 HG2 MET 60 47.162 -13.873 4.590 444 2HG MET 60 HG3 MET 60 48.478 -14.167 5.754 445 1HE MET 60 HE1 MET 60 50.445 -15.216 5.529 446 2HE MET 60 HE2 MET 60 49.878 -16.857 5.117 447 3HE MET 60 HE3 MET 60 51.137 -16.067 4.137 448 H SER 61 H SER 61 44.017 -15.963 6.482 449 HA SER 61 HA SER 61 42.793 -13.598 5.475 450 1HB SER 61 HB2 SER 61 41.815 -15.866 5.329 451 2HB SER 61 HB3 SER 61 41.527 -15.865 7.074 452 HG SER 61 HG SER 61 39.683 -15.210 5.826 453 H GLU 62 H GLU 62 42.881 -14.861 8.869 454 HA GLU 62 HA GLU 62 41.691 -12.541 10.030 455 1HB GLU 62 HB2 GLU 62 41.851 -14.781 11.103 456 2HB GLU 62 HB3 GLU 62 43.592 -14.557 11.311 457 1HG GLU 62 HG2 GLU 62 43.216 -12.644 12.792 458 2HG GLU 62 HG3 GLU 62 41.484 -12.668 12.450 459 H TYR 63 H TYR 63 45.125 -13.334 9.548 460 HA TYR 63 HA TYR 63 46.287 -11.093 10.827 461 1HB TYR 63 HB2 TYR 63 47.604 -13.000 10.161 462 2HB TYR 63 HB3 TYR 63 47.176 -12.826 8.474 463 HD1 TYR 63 HD1 TYR 63 48.493 -11.674 6.978 464 HD2 TYR 63 HD2 TYR 63 49.009 -11.019 11.215 465 HE1 TYR 63 HE1 TYR 63 50.592 -10.449 6.523 466 HE2 TYR 63 HE2 TYR 63 51.100 -9.748 10.754 467 HH TYR 63 HH TYR 63 52.398 -9.329 7.446 468 H ASN 64 H ASN 64 45.276 -11.461 7.433 469 HA ASN 64 HA ASN 64 46.222 -8.831 6.741 470 1HB ASN 64 HB2 ASN 64 46.088 -10.828 5.187 471 2HB ASN 64 HB3 ASN 64 44.337 -10.620 5.142 472 1HD2 ASN 64 HD22 ASN 64 43.643 -9.362 3.400 473 2HD2 ASN 64 HD21 ASN 64 44.653 -8.167 2.604 474 H LEU 65 H LEU 65 43.029 -10.202 7.484 475 HA LEU 65 HA LEU 65 41.404 -7.891 7.099 476 1HB LEU 65 HB2 LEU 65 40.605 -10.187 7.366 477 2HB LEU 65 HB3 LEU 65 41.124 -10.220 9.046 478 HG LEU 65 HG LEU 65 38.998 -8.313 7.967 479 1HD1 LEU 65 HD11 LEU 65 38.336 -10.669 7.614 480 2HD1 LEU 65 HD12 LEU 65 38.664 -11.025 9.321 481 3HD1 LEU 65 HD13 LEU 65 37.354 -9.913 8.867 482 1HD2 LEU 65 HD21 LEU 65 38.221 -8.362 10.384 483 2HD2 LEU 65 HD22 LEU 65 39.729 -9.202 10.799 484 3HD2 LEU 65 HD23 LEU 65 39.751 -7.542 10.154 485 H TYR 66 H TYR 66 43.066 -9.058 10.058 486 HA TYR 66 HA TYR 66 42.319 -6.891 11.718 487 1HB TYR 66 HB2 TYR 66 43.276 -8.954 12.612 488 2HB TYR 66 HB3 TYR 66 44.813 -8.630 11.814 489 HD1 TYR 66 HD1 TYR 66 42.438 -7.317 14.398 490 HD2 TYR 66 HD2 TYR 66 46.466 -7.228 12.849 491 HE1 TYR 66 HE1 TYR 66 43.143 -5.894 16.315 492 HE2 TYR 66 HE2 TYR 66 47.166 -5.797 14.768 493 HH TYR 66 HH TYR 66 44.855 -4.743 17.301 494 H ARG 67 H ARG 67 45.282 -7.222 9.747 495 HA ARG 67 HA ARG 67 46.411 -4.659 10.359 496 1HB ARG 67 HB2 ARG 67 46.666 -6.577 8.018 497 2HB ARG 67 HB3 ARG 67 47.488 -5.011 8.006 498 1HG ARG 67 HG2 ARG 67 48.762 -5.513 9.963 499 2HG ARG 67 HG3 ARG 67 47.807 -6.952 10.328 500 1HD ARG 67 HD2 ARG 67 50.081 -7.405 9.366 501 2HD ARG 67 HD3 ARG 67 48.734 -8.187 8.549 502 HE ARG 67 HE ARG 67 50.224 -5.769 7.550 503 1HH1 ARG 67 HH21 ARG 67 48.478 -8.677 6.760 504 2HH1 ARG 67 HH22 ARG 67 48.182 -8.184 5.104 505 1HH2 ARG 67 HH11 ARG 67 50.067 -5.315 5.360 506 2HH2 ARG 67 HH12 ARG 67 49.265 -6.444 4.305 507 H ASN 68 H ASN 68 44.207 -5.530 7.667 508 HA ASN 68 HA ASN 68 43.969 -2.879 6.594 509 1HB ASN 68 HB2 ASN 68 43.333 -4.973 5.404 510 2HB ASN 68 HB3 ASN 68 42.022 -5.228 6.555 511 1HD2 ASN 68 HD22 ASN 68 43.139 -3.221 3.846 512 2HD2 ASN 68 HD21 ASN 68 41.565 -2.502 3.546 513 H ALA 69 H ALA 69 41.938 -4.534 9.002 514 HA ALA 69 HA ALA 69 40.179 -2.329 9.260 515 1HB ALA 69 HB1 ALA 69 39.563 -4.644 9.869 516 2HB ALA 69 HB2 ALA 69 40.762 -4.644 11.183 517 3HB ALA 69 HB3 ALA 69 39.343 -3.576 11.268 518 H GLN 70 H GLN 70 43.016 -3.275 11.244 519 HA GLN 70 HA GLN 70 42.892 -1.201 13.176 520 1HB GLN 70 HB2 GLN 70 44.258 -3.227 13.328 521 2HB GLN 70 HB3 GLN 70 45.287 -2.694 12.003 522 1HG GLN 70 HG2 GLN 70 44.998 -0.974 14.489 523 2HG GLN 70 HG3 GLN 70 45.995 -2.424 14.525 524 1HE2 GLN 70 HE22 GLN 70 45.790 0.855 13.138 525 2HE2 GLN 70 HE21 GLN 70 47.468 0.849 12.604 526 H SER 71 H SER 71 44.512 -1.257 9.960 527 HA SER 71 HA SER 71 45.611 1.387 10.126 528 1HB SER 71 HB2 SER 71 44.795 -0.193 7.652 529 2HB SER 71 HB3 SER 71 45.831 1.244 7.685 530 HG SER 71 HG SER 71 46.335 -1.343 8.729 531 H SER 72 H SER 72 42.481 0.219 8.821 532 HA SER 72 HA SER 72 41.618 2.796 7.848 533 1HB SER 72 HB2 SER 72 39.959 0.349 8.588 534 2HB SER 72 HB3 SER 72 39.412 1.745 7.642 535 HG SER 72 HG SER 72 41.363 -0.205 6.965 536 H ALA 73 H ALA 73 40.867 1.018 10.894 537 HA ALA 73 HA ALA 73 38.944 2.836 11.869 538 1HB ALA 73 HB1 ALA 73 39.324 1.686 14.029 539 2HB ALA 73 HB2 ALA 73 39.224 0.535 12.686 540 3HB ALA 73 HB3 ALA 73 40.807 0.953 13.380 541 H VAL 74 H VAL 74 42.473 2.785 12.486 542 HA VAL 74 HA VAL 74 42.583 4.908 14.360 543 HB VAL 74 HB VAL 74 44.513 3.603 12.418 544 1HG1 VAL 74 HG11 VAL 74 46.383 4.718 13.554 545 2HG1 VAL 74 HG12 VAL 74 45.403 5.826 12.593 546 3HG1 VAL 74 HG13 VAL 74 45.226 5.803 14.370 547 1HG2 VAL 74 HG21 VAL 74 44.352 3.671 15.468 548 2HG2 VAL 74 HG22 VAL 74 43.767 2.346 14.446 549 3HG2 VAL 74 HG23 VAL 74 45.495 2.720 14.501 550 H LYS 75 H LYS 75 42.235 5.025 10.869 551 HA LYS 75 HA LYS 75 42.674 7.976 10.808 552 1HB LYS 75 HB2 LYS 75 42.277 5.956 8.562 553 2HB LYS 75 HB3 LYS 75 42.638 7.667 8.349 554 1HG LYS 75 HG2 LYS 75 44.484 5.609 9.634 555 2HG LYS 75 HG3 LYS 75 44.622 6.291 8.014 556 1HD LYS 75 HD2 LYS 75 44.948 8.562 9.023 557 2HD LYS 75 HD3 LYS 75 44.909 7.820 10.640 558 1HE LYS 75 HE2 LYS 75 46.827 6.366 10.013 559 2HE LYS 75 HE3 LYS 75 46.883 7.133 8.420 560 1HZ LYS 75 HZ1 LYS 75 47.363 9.251 9.531 561 2HZ LYS 75 HZ2 LYS 75 47.314 8.542 11.004 562 3HZ LYS 75 HZ3 LYS 75 48.484 8.140 9.942 563 H SER 76 H SER 76 40.064 6.031 11.418 564 HA SER 76 HA SER 76 38.125 7.984 10.205 565 1HB SER 76 HB2 SER 76 37.712 4.981 10.338 566 2HB SER 76 HB3 SER 76 36.707 6.188 9.520 567 HG SER 76 HG SER 76 39.258 5.192 8.837 568 H MET 77 H MET 77 39.008 6.441 13.131 569 HA MET 77 HA MET 77 36.804 5.569 14.343 570 1HB MET 77 HB2 MET 77 39.119 5.653 15.283 571 2HB MET 77 HB3 MET 77 38.876 7.343 15.696 572 1HG MET 77 HG2 MET 77 38.563 5.875 17.632 573 2HG MET 77 HG3 MET 77 37.099 6.767 17.257 574 1HE MET 77 HE1 MET 77 38.474 3.433 15.476 575 2HE MET 77 HE2 MET 77 38.917 3.288 17.193 576 3HE MET 77 HE3 MET 77 37.684 2.214 16.497 577 H LYS 78 H LYS 78 37.536 9.081 14.327 578 HA LYS 78 HA LYS 78 35.326 9.896 15.944 579 1HB LYS 78 HB2 LYS 78 37.383 11.216 15.441 580 2HB LYS 78 HB3 LYS 78 36.796 11.471 13.789 581 1HG LYS 78 HG2 LYS 78 34.872 12.744 14.631 582 2HG LYS 78 HG3 LYS 78 35.269 12.306 16.297 583 1HD LYS 78 HD2 LYS 78 35.938 14.590 15.887 584 2HD LYS 78 HD3 LYS 78 37.378 13.596 16.145 585 1HE LYS 78 HE2 LYS 78 37.722 13.479 13.672 586 2HE LYS 78 HE3 LYS 78 36.276 14.469 13.430 587 1HZ LYS 78 HZ1 LYS 78 38.292 15.821 13.372 588 2HZ LYS 78 HZ2 LYS 78 37.391 16.264 14.657 589 3HZ LYS 78 HZ3 LYS 78 38.726 15.345 14.871 590 H ASP 79 H ASP 79 35.420 9.125 12.517 591 HA ASP 79 HA ASP 79 32.700 10.202 12.027 592 1HB ASP 79 HB2 ASP 79 34.491 10.397 10.314 593 2HB ASP 79 HB3 ASP 79 34.584 8.637 10.223 594 H ILE 80 H ILE 80 34.354 7.020 12.319 595 HA ILE 80 HA ILE 80 32.065 5.364 11.894 596 HB ILE 80 HB ILE 80 34.513 4.880 13.625 597 1HG1 ILE 80 HG12 ILE 80 35.134 5.261 11.281 598 2HG1 ILE 80 HG13 ILE 80 35.417 3.602 11.749 599 1HG2 ILE 80 HG21 ILE 80 32.413 2.904 12.648 600 2HG2 ILE 80 HG22 ILE 80 34.000 2.439 13.299 601 3HG2 ILE 80 HG23 ILE 80 32.848 3.289 14.325 602 1HD1 ILE 80 HD11 ILE 80 33.364 2.907 10.513 603 2HD1 ILE 80 HD12 ILE 80 33.083 4.605 10.053 604 3HD1 ILE 80 HD13 ILE 80 34.522 3.753 9.478 605 H ASP 81 H ASP 81 33.176 6.996 14.842 606 HA ASP 81 HA ASP 81 31.344 5.952 16.689 607 1HB ASP 81 HB2 ASP 81 33.293 7.412 17.173 608 2HB ASP 81 HB3 ASP 81 32.420 8.788 16.500 609 H SER 82 H SER 82 30.592 7.960 13.984 610 HA SER 82 HA SER 82 27.763 8.328 14.899 611 1HB SER 82 HB2 SER 82 29.466 10.209 13.219 612 2HB SER 82 HB3 SER 82 27.740 10.419 13.564 613 HG SER 82 HG SER 82 29.068 11.629 14.995 614 H SER 83 H SER 83 29.466 6.411 12.965 615 HA SER 83 HA SER 83 27.383 6.149 10.882 616 1HB SER 83 HB2 SER 83 29.139 7.870 10.153 617 2HB SER 83 HB3 SER 83 30.297 6.534 10.091 618 HG SER 83 HG SER 83 28.927 5.516 8.569 619 H ILE 84 H ILE 84 28.248 4.490 13.109 620 HA ILE 84 HA ILE 84 30.055 2.472 12.455 621 HB ILE 84 HB ILE 84 29.201 3.050 14.699 622 1HG1 ILE 84 HG12 ILE 84 28.944 0.076 14.115 623 2HG1 ILE 84 HG13 ILE 84 30.475 0.956 14.183 624 1HG2 ILE 84 HG21 ILE 84 26.757 1.345 14.054 625 2HG2 ILE 84 HG22 ILE 84 27.120 2.183 15.576 626 3HG2 ILE 84 HG23 ILE 84 26.748 3.118 14.130 627 1HD1 ILE 84 HD11 ILE 84 28.514 0.588 16.482 628 2HD1 ILE 84 HD12 ILE 84 30.110 -0.152 16.295 629 3HD1 ILE 84 HD13 ILE 84 29.979 1.599 16.547 630 H LEU 85 H LEU 85 29.929 0.347 11.804 631 HA LEU 85 HA LEU 85 27.485 -0.729 10.546 632 1HB LEU 85 HB2 LEU 85 28.657 0.597 8.793 633 2HB LEU 85 HB3 LEU 85 30.149 -0.280 9.123 634 HG LEU 85 HG LEU 85 29.080 -2.390 8.318 635 1HD1 LEU 85 HD11 LEU 85 26.693 -1.898 8.736 636 2HD1 LEU 85 HD12 LEU 85 26.757 -0.553 7.579 637 3HD1 LEU 85 HD13 LEU 85 26.966 -2.226 7.021 638 1HD2 LEU 85 HD21 LEU 85 30.393 -0.968 6.794 639 2HD2 LEU 85 HD22 LEU 85 29.074 -1.784 5.942 640 3HD2 LEU 85 HD23 LEU 85 28.925 -0.062 6.362 641 H GLU 86 H GLU 86 27.425 -2.954 10.620 642 HA GLU 86 HA GLU 86 29.751 -4.411 11.843 643 1HB GLU 86 HB2 GLU 86 26.788 -4.663 12.481 644 2HB GLU 86 HB3 GLU 86 28.075 -5.667 13.156 645 1HG GLU 86 HG2 GLU 86 29.130 -3.629 14.145 646 2HG GLU 86 HG3 GLU 86 27.769 -2.663 13.568 647 H HIS 87 H HIS 87 27.798 -4.366 9.088 648 HA HIS 87 HA HIS 87 27.447 -7.209 8.661 649 1HB HIS 87 HB2 HIS 87 27.500 -4.899 6.678 650 2HB HIS 87 HB3 HIS 87 26.904 -6.526 6.359 651 HD1 HIS 87 HD1 HIS 87 25.186 -3.652 6.367 652 HD2 HIS 87 HD2 HIS 87 25.125 -6.848 9.106 653 HE1 HIS 87 HE1 HIS 87 22.940 -3.525 7.561 654 H HIS 88 H HIS 88 28.813 -8.687 7.841 655 HA HIS 88 HA HIS 88 31.028 -8.015 6.071 656 1HB HIS 88 HB2 HIS 88 31.990 -7.611 8.360 657 2HB HIS 88 HB3 HIS 88 31.596 -9.272 8.797 658 HD1 HIS 88 HD1 HIS 88 33.694 -7.535 5.983 659 HD2 HIS 88 HD2 HIS 88 33.579 -10.937 8.462 660 HE1 HIS 88 HE1 HIS 88 35.764 -8.909 5.411 661 H HIS 89 H HIS 89 32.169 -10.038 5.362 662 HA HIS 89 HA HIS 89 30.388 -12.286 4.853 663 1HB HIS 89 HB2 HIS 89 32.068 -11.201 3.260 664 2HB HIS 89 HB3 HIS 89 33.340 -11.995 4.181 665 HD1 HIS 89 HD1 HIS 89 33.505 -14.695 3.812 666 HD2 HIS 89 HD2 HIS 89 30.482 -12.691 1.685 667 HE1 HIS 89 HE1 HIS 89 32.692 -16.328 2.022 668 H HIS 90 H HIS 90 30.679 -12.042 7.602 669 HA HIS 90 HA HIS 90 32.771 -13.656 8.771 670 1HB HIS 90 HB2 HIS 90 31.361 -13.435 10.817 671 2HB HIS 90 HB3 HIS 90 31.760 -11.910 10.044 672 HD1 HIS 90 HD1 HIS 90 28.759 -14.014 8.812 673 HD2 HIS 90 HD2 HIS 90 29.702 -10.552 11.012 674 HE1 HIS 90 HE1 HIS 90 26.552 -12.784 9.196 675 H HIS 91 H HIS 91 32.514 -15.647 9.935 676 HA HIS 91 HA HIS 91 30.242 -17.419 9.306 677 1HB HIS 91 HB2 HIS 91 32.015 -17.561 7.442 678 2HB HIS 91 HB3 HIS 91 33.098 -18.249 8.644 679 HD1 HIS 91 HD1 HIS 91 32.184 -20.748 9.679 680 HD2 HIS 91 HD2 HIS 91 30.317 -19.132 6.255 681 HE1 HIS 91 HE1 HIS 91 30.964 -22.674 8.546 682 H HIS 92 H HIS 92 30.144 -19.259 10.696 683 HA HIS 92 HA HIS 92 31.287 -18.985 13.349 684 1HB HIS 92 HB2 HIS 92 30.102 -21.079 13.815 685 2HB HIS 92 HB3 HIS 92 29.063 -19.864 13.088 686 HD1 HIS 92 HD1 HIS 92 27.741 -20.640 10.957 687 HD2 HIS 92 HD2 HIS 92 30.894 -23.172 12.112 688 HE1 HIS 92 HE1 HIS 92 27.546 -22.727 9.505 Start of MODEL 14 1 1H MET 1 H1 MET 1 65.228 -6.349 -32.439 2 2H MET 1 H2 MET 1 63.959 -7.279 -31.974 3 3H MET 1 H3 MET 1 63.974 -5.679 -31.631 4 HA MET 1 HA MET 1 64.469 -6.924 -29.655 5 1HB MET 1 HB2 MET 1 65.398 -8.883 -30.858 6 2HB MET 1 HB3 MET 1 66.868 -7.982 -31.224 7 1HG MET 1 HG2 MET 1 65.880 -8.425 -28.381 8 2HG MET 1 HG3 MET 1 66.844 -9.623 -29.233 9 1HE MET 1 HE1 MET 1 69.237 -8.062 -26.489 10 2HE MET 1 HE2 MET 1 67.468 -8.172 -26.363 11 3HE MET 1 HE3 MET 1 68.400 -9.535 -27.027 12 H SER 2 H SER 2 65.407 -5.695 -28.100 13 HA SER 2 HA SER 2 67.708 -3.947 -28.645 14 1HB SER 2 HB2 SER 2 66.499 -1.908 -27.928 15 2HB SER 2 HB3 SER 2 65.865 -2.566 -29.439 16 HG SER 2 HG SER 2 64.196 -1.978 -27.965 17 H ASN 3 H ASN 3 68.101 -2.553 -26.564 18 HA ASN 3 HA ASN 3 68.665 -4.271 -24.393 19 1HB ASN 3 HB2 ASN 3 69.331 -2.208 -23.235 20 2HB ASN 3 HB3 ASN 3 69.894 -2.194 -24.897 21 1HD2 ASN 3 HD22 ASN 3 67.569 -0.717 -22.602 22 2HD2 ASN 3 HD21 ASN 3 67.228 0.642 -23.660 23 HA PRO 4 HA PRO 4 64.950 -4.150 -21.885 24 1HB PRO 4 HB2 PRO 4 65.914 -4.418 -19.338 25 2HB PRO 4 HB3 PRO 4 65.967 -5.742 -20.540 26 1HG PRO 4 HG2 PRO 4 68.176 -3.803 -19.800 27 2HG PRO 4 HG3 PRO 4 68.273 -5.586 -19.950 28 1HD PRO 4 HD2 PRO 4 69.027 -3.894 -21.950 29 2HD PRO 4 HD3 PRO 4 68.290 -5.473 -22.306 30 HA PRO 5 HA PRO 5 64.514 0.087 -20.376 31 1HB PRO 5 HB2 PRO 5 62.452 -0.120 -18.588 32 2HB PRO 5 HB3 PRO 5 62.227 -0.307 -20.355 33 1HG PRO 5 HG2 PRO 5 62.570 -2.491 -18.275 34 2HG PRO 5 HG3 PRO 5 61.324 -2.373 -19.559 35 1HD PRO 5 HD2 PRO 5 63.582 -3.868 -19.862 36 2HD PRO 5 HD3 PRO 5 62.864 -2.977 -21.237 37 H THR 6 H THR 6 64.588 1.402 -18.373 38 HA THR 6 HA THR 6 65.711 0.111 -15.934 39 HB THR 6 HB THR 6 67.338 1.820 -15.635 40 HG1 THR 6 HG1 THR 6 67.851 3.240 -17.335 41 1HG2 THR 6 HG21 THR 6 69.007 1.155 -17.259 42 2HG2 THR 6 HG22 THR 6 68.031 -0.249 -16.801 43 3HG2 THR 6 HG23 THR 6 67.757 0.549 -18.366 44 HA PRO 7 HA PRO 7 62.730 2.374 -13.925 45 1HB PRO 7 HB2 PRO 7 63.597 2.372 -11.346 46 2HB PRO 7 HB3 PRO 7 63.221 0.871 -12.242 47 1HG PRO 7 HG2 PRO 7 65.935 2.122 -11.758 48 2HG PRO 7 HG3 PRO 7 65.460 0.402 -11.597 49 1HD PRO 7 HD2 PRO 7 66.697 1.571 -13.777 50 2HD PRO 7 HD3 PRO 7 65.729 0.110 -13.919 51 H LEU 8 H LEU 8 62.002 4.285 -13.048 52 HA LEU 8 HA LEU 8 63.781 6.446 -12.200 53 1HB LEU 8 HB2 LEU 8 63.671 6.606 -14.705 54 2HB LEU 8 HB3 LEU 8 61.931 6.762 -14.619 55 HG LEU 8 HG LEU 8 63.195 8.843 -15.072 56 1HD1 LEU 8 HD11 LEU 8 61.924 10.343 -13.770 57 2HD1 LEU 8 HD12 LEU 8 60.910 8.916 -14.029 58 3HD1 LEU 8 HD13 LEU 8 61.700 9.186 -12.458 59 1HD2 LEU 8 HD21 LEU 8 64.110 8.744 -12.173 60 2HD2 LEU 8 HD22 LEU 8 65.138 8.422 -13.589 61 3HD2 LEU 8 HD23 LEU 8 64.416 10.024 -13.360 62 H LEU 9 H LEU 9 62.811 7.461 -10.525 63 HA LEU 9 HA LEU 9 59.885 7.752 -10.366 64 1HB LEU 9 HB2 LEU 9 60.413 5.556 -9.287 65 2HB LEU 9 HB3 LEU 9 61.556 6.364 -8.219 66 HG LEU 9 HG LEU 9 59.665 7.663 -7.208 67 1HD1 LEU 9 HD11 LEU 9 57.930 5.858 -8.953 68 2HD1 LEU 9 HD12 LEU 9 57.339 6.885 -7.632 69 3HD1 LEU 9 HD13 LEU 9 58.036 7.624 -9.079 70 1HD2 LEU 9 HD21 LEU 9 60.438 5.566 -6.191 71 2HD2 LEU 9 HD22 LEU 9 58.699 5.793 -5.971 72 3HD2 LEU 9 HD23 LEU 9 59.292 4.645 -7.194 73 H ALA 10 H ALA 10 59.268 9.558 -9.241 74 HA ALA 10 HA ALA 10 61.274 11.079 -7.640 75 1HB ALA 10 HB1 ALA 10 59.446 12.217 -9.798 76 2HB ALA 10 HB2 ALA 10 60.563 13.143 -8.771 77 3HB ALA 10 HB3 ALA 10 61.202 11.976 -9.941 78 H ASP 11 H ASP 11 58.222 9.645 -7.544 79 HA ASP 11 HA ASP 11 56.753 11.595 -6.007 80 1HB ASP 11 HB2 ASP 11 55.773 9.669 -7.281 81 2HB ASP 11 HB3 ASP 11 56.461 8.568 -6.086 82 H TYR 12 H TYR 12 59.077 9.077 -5.141 83 HA TYR 12 HA TYR 12 59.585 10.338 -2.580 84 1HB TYR 12 HB2 TYR 12 59.309 8.323 -1.212 85 2HB TYR 12 HB3 TYR 12 57.790 8.861 -1.877 86 HD1 TYR 12 HD1 TYR 12 60.502 6.289 -2.299 87 HD2 TYR 12 HD2 TYR 12 56.418 7.397 -3.157 88 HE1 TYR 12 HE1 TYR 12 60.038 3.978 -3.097 89 HE2 TYR 12 HE2 TYR 12 55.960 5.085 -3.949 90 HH TYR 12 HH TYR 12 56.808 2.981 -4.289 91 H GLU 13 H GLU 13 61.507 9.467 -1.544 92 HA GLU 13 HA GLU 13 63.236 7.651 -3.156 93 1HB GLU 13 HB2 GLU 13 63.594 10.137 -3.681 94 2HB GLU 13 HB3 GLU 13 64.253 10.294 -2.052 95 1HG GLU 13 HG2 GLU 13 66.058 8.707 -2.621 96 2HG GLU 13 HG3 GLU 13 65.290 8.353 -4.171 97 H TRP 14 H TRP 14 61.957 8.358 -0.128 98 HA TRP 14 HA TRP 14 64.120 6.893 1.330 99 1HB TRP 14 HB2 TRP 14 63.862 8.379 3.167 100 2HB TRP 14 HB3 TRP 14 64.139 9.341 1.730 101 HD1 TRP 14 HD1 TRP 14 62.016 10.747 0.777 102 HE1 TRP 14 HE1 TRP 14 59.941 11.707 1.946 103 HE3 TRP 14 HE3 TRP 14 62.213 8.052 5.130 104 HZ2 TRP 14 HZ2 TRP 14 58.551 11.363 4.450 105 HZ3 TRP 14 HZ3 TRP 14 60.532 8.438 6.922 106 HH2 TRP 14 HH2 TRP 14 58.693 10.075 6.588 107 H SER 15 H SER 15 61.109 6.344 0.274 108 HA SER 15 HA SER 15 59.521 5.710 2.503 109 1HB SER 15 HB2 SER 15 58.798 5.842 0.113 110 2HB SER 15 HB3 SER 15 59.543 4.254 -0.163 111 HG SER 15 HG SER 15 57.286 4.131 0.310 112 H GLY 16 H GLY 16 62.159 3.804 1.128 113 1HA GLY 16 HA2 GLY 16 61.775 1.300 2.408 114 2HA GLY 16 HA3 GLY 16 63.336 2.033 2.005 115 H TYR 17 H TYR 17 63.253 4.306 3.690 116 HA TYR 17 HA TYR 17 63.969 3.170 6.274 117 1HB TYR 17 HB2 TYR 17 65.153 5.093 5.284 118 2HB TYR 17 HB3 TYR 17 63.683 6.054 5.352 119 HD1 TYR 17 HD1 TYR 17 63.001 7.166 7.379 120 HD2 TYR 17 HD2 TYR 17 66.258 4.332 7.431 121 HE1 TYR 17 HE1 TYR 17 63.599 7.890 9.687 122 HE2 TYR 17 HE2 TYR 17 66.850 5.056 9.738 123 HH TYR 17 HH TYR 17 66.346 6.448 11.487 124 H LEU 18 H LEU 18 61.183 4.984 5.016 125 HA LEU 18 HA LEU 18 59.823 5.328 7.512 126 1HB LEU 18 HB2 LEU 18 59.317 6.575 5.419 127 2HB LEU 18 HB3 LEU 18 58.679 5.103 4.699 128 HG LEU 18 HG LEU 18 56.865 5.022 6.358 129 1HD1 LEU 18 HD11 LEU 18 58.047 7.629 7.414 130 2HD1 LEU 18 HD12 LEU 18 56.442 6.989 7.830 131 3HD1 LEU 18 HD13 LEU 18 57.887 6.099 8.309 132 1HD2 LEU 18 HD21 LEU 18 55.631 6.991 5.564 133 2HD2 LEU 18 HD22 LEU 18 57.149 7.746 5.025 134 3HD2 LEU 18 HD23 LEU 18 56.560 6.259 4.246 135 H THR 19 H THR 19 59.502 2.727 5.031 136 HA THR 19 HA THR 19 57.766 1.034 6.588 137 HB THR 19 HB THR 19 59.716 0.360 4.350 138 HG1 THR 19 HG1 THR 19 57.906 0.571 3.079 139 1HG2 THR 19 HG21 THR 19 59.082 -1.737 5.432 140 2HG2 THR 19 HG22 THR 19 57.375 -1.239 5.487 141 3HG2 THR 19 HG23 THR 19 58.167 -1.581 3.931 142 H GLY 20 H GLY 20 61.237 1.524 6.666 143 1HA GLY 20 HA2 GLY 20 62.309 -0.692 7.894 144 2HA GLY 20 HA3 GLY 20 62.794 0.981 8.215 145 H ILE 21 H ILE 21 60.285 1.727 9.496 146 HA ILE 21 HA ILE 21 60.794 0.927 12.206 147 HB ILE 21 HB ILE 21 59.688 3.069 11.326 148 1HG1 ILE 21 HG12 ILE 21 58.297 3.446 13.301 149 2HG1 ILE 21 HG13 ILE 21 58.325 1.734 13.701 150 1HG2 ILE 21 HG21 ILE 21 57.898 1.845 9.995 151 2HG2 ILE 21 HG22 ILE 21 57.105 1.468 11.531 152 3HG2 ILE 21 HG23 ILE 21 57.316 3.155 11.035 153 1HD1 ILE 21 HD11 ILE 21 59.915 3.136 15.037 154 2HD1 ILE 21 HD12 ILE 21 60.735 1.838 14.161 155 3HD1 ILE 21 HD13 ILE 21 60.805 3.511 13.548 156 H GLY 22 H GLY 22 59.074 -0.761 9.760 157 1HA GLY 22 HA2 GLY 22 56.926 -2.002 10.846 158 2HA GLY 22 HA3 GLY 22 58.066 -2.820 9.778 159 H ARG 23 H ARG 23 60.288 -3.166 11.423 160 HA ARG 23 HA ARG 23 59.618 -5.430 12.986 161 1HB ARG 23 HB2 ARG 23 61.834 -5.707 13.408 162 2HB ARG 23 HB3 ARG 23 61.894 -4.765 11.934 163 1HG ARG 23 HG2 ARG 23 62.341 -3.716 14.772 164 2HG ARG 23 HG3 ARG 23 63.596 -4.116 13.612 165 1HD ARG 23 HD2 ARG 23 62.978 -2.320 12.153 166 2HD ARG 23 HD3 ARG 23 61.528 -1.944 13.106 167 HE ARG 23 HE ARG 23 63.579 -1.739 14.941 168 1HH1 ARG 23 HH21 ARG 23 63.042 -0.160 11.863 169 2HH1 ARG 23 HH22 ARG 23 63.870 1.297 12.373 170 1HH2 ARG 23 HH11 ARG 23 64.589 0.142 15.529 171 2HH2 ARG 23 HH12 ARG 23 64.706 1.458 14.399 172 H ALA 24 H ALA 24 59.316 -2.188 13.941 173 HA ALA 24 HA ALA 24 58.943 -2.929 16.811 174 1HB ALA 24 HB1 ALA 24 60.956 -1.525 16.427 175 2HB ALA 24 HB2 ALA 24 59.964 -0.330 15.562 176 3HB ALA 24 HB3 ALA 24 59.709 -0.612 17.302 177 H PHE 25 H PHE 25 57.490 -1.341 14.031 178 HA PHE 25 HA PHE 25 55.250 -0.360 15.559 179 1HB PHE 25 HB2 PHE 25 55.888 0.492 13.312 180 2HB PHE 25 HB3 PHE 25 55.498 -1.067 12.598 181 HD1 PHE 25 HD1 PHE 25 54.093 1.968 14.231 182 HD2 PHE 25 HD2 PHE 25 53.185 -1.683 12.118 183 HE1 PHE 25 HE1 PHE 25 51.749 2.731 13.914 184 HE2 PHE 25 HE2 PHE 25 50.843 -0.914 11.803 185 HZ PHE 25 HZ PHE 25 50.123 1.290 12.700 186 H ASP 26 H ASP 26 56.035 -3.463 14.062 187 HA ASP 26 HA ASP 26 53.503 -4.751 14.417 188 1HB ASP 26 HB2 ASP 26 55.431 -5.409 12.913 189 2HB ASP 26 HB3 ASP 26 56.286 -5.980 14.348 190 H ASP 27 H ASP 27 55.481 -3.618 16.921 191 HA ASP 27 HA ASP 27 55.850 -5.806 18.598 192 1HB ASP 27 HB2 ASP 27 56.920 -3.603 18.807 193 2HB ASP 27 HB3 ASP 27 55.399 -2.911 19.391 194 H GLY 28 H GLY 28 52.779 -4.212 18.103 195 1HA GLY 28 HA2 GLY 28 51.550 -5.826 20.331 196 2HA GLY 28 HA3 GLY 28 50.859 -4.346 19.654 197 H VAL 29 H VAL 29 52.145 -6.339 17.209 198 HA VAL 29 HA VAL 29 49.720 -8.045 16.986 199 HB VAL 29 HB VAL 29 50.851 -7.121 14.387 200 1HG1 VAL 29 HG11 VAL 29 48.487 -7.363 13.732 201 2HG1 VAL 29 HG12 VAL 29 49.036 -8.814 14.575 202 3HG1 VAL 29 HG13 VAL 29 48.032 -7.640 15.432 203 1HG2 VAL 29 HG21 VAL 29 48.987 -5.340 16.003 204 2HG2 VAL 29 HG22 VAL 29 50.625 -4.928 15.436 205 3HG2 VAL 29 HG23 VAL 29 49.332 -5.179 14.265 206 H LYS 30 H LYS 30 53.097 -7.894 17.066 207 HA LYS 30 HA LYS 30 53.937 -10.120 15.686 208 1HB LYS 30 HB2 LYS 30 55.747 -10.329 17.213 209 2HB LYS 30 HB3 LYS 30 55.430 -8.626 16.906 210 1HG LYS 30 HG2 LYS 30 54.322 -8.409 19.105 211 2HG LYS 30 HG3 LYS 30 54.532 -10.143 19.402 212 1HD LYS 30 HD2 LYS 30 57.010 -9.850 19.184 213 2HD LYS 30 HD3 LYS 30 56.784 -8.102 19.083 214 1HE LYS 30 HE2 LYS 30 55.764 -9.804 21.406 215 2HE LYS 30 HE3 LYS 30 57.399 -9.140 21.368 216 1HZ LYS 30 HZ1 LYS 30 55.824 -7.700 22.572 217 2HZ LYS 30 HZ2 LYS 30 56.501 -6.915 21.309 218 3HZ LYS 30 HZ3 LYS 30 54.969 -7.434 21.195 219 H ASP 31 H ASP 31 51.848 -10.139 18.441 220 HA ASP 31 HA ASP 31 51.991 -12.884 19.181 221 1HB ASP 31 HB2 ASP 31 50.927 -11.011 20.479 222 2HB ASP 31 HB3 ASP 31 49.672 -10.898 19.248 223 H LEU 32 H LEU 32 50.079 -11.283 16.666 224 HA LEU 32 HA LEU 32 48.754 -13.763 15.774 225 1HB LEU 32 HB2 LEU 32 48.025 -11.150 15.757 226 2HB LEU 32 HB3 LEU 32 48.848 -11.179 14.216 227 HG LEU 32 HG LEU 32 46.429 -12.837 15.071 228 1HD1 LEU 32 HD11 LEU 32 45.950 -10.487 14.590 229 2HD1 LEU 32 HD12 LEU 32 46.803 -10.593 13.040 230 3HD1 LEU 32 HD13 LEU 32 45.297 -11.502 13.298 231 1HD2 LEU 32 HD21 LEU 32 47.982 -12.918 12.463 232 2HD2 LEU 32 HD22 LEU 32 47.630 -14.267 13.562 233 3HD2 LEU 32 HD23 LEU 32 46.320 -13.533 12.643 234 H ASN 33 H ASN 33 51.428 -11.636 14.839 235 HA ASN 33 HA ASN 33 52.109 -12.903 12.360 236 1HB ASN 33 HB2 ASN 33 52.921 -10.654 13.403 237 2HB ASN 33 HB3 ASN 33 54.108 -11.643 14.270 238 1HD2 ASN 33 HD22 ASN 33 55.103 -9.677 12.756 239 2HD2 ASN 33 HD21 ASN 33 55.785 -10.351 11.275 240 H LYS 34 H LYS 34 53.081 -13.623 15.686 241 HA LYS 34 HA LYS 34 54.774 -15.893 15.283 242 1HB LYS 34 HB2 LYS 34 54.738 -14.810 17.393 243 2HB LYS 34 HB3 LYS 34 52.980 -14.886 17.502 244 1HG LYS 34 HG2 LYS 34 53.027 -17.278 17.929 245 2HG LYS 34 HG3 LYS 34 54.770 -17.338 17.640 246 1HD LYS 34 HD2 LYS 34 54.137 -17.381 20.064 247 2HD LYS 34 HD3 LYS 34 55.245 -16.092 19.621 248 1HE LYS 34 HE2 LYS 34 53.620 -15.263 21.213 249 2HE LYS 34 HE3 LYS 34 53.445 -14.435 19.670 250 1HZ LYS 34 HZ1 LYS 34 51.509 -15.860 19.207 251 2HZ LYS 34 HZ2 LYS 34 51.693 -16.635 20.646 252 3HZ LYS 34 HZ3 LYS 34 51.289 -15.048 20.597 253 H GLN 35 H GLN 35 51.250 -15.691 15.684 254 HA GLN 35 HA GLN 35 50.742 -18.529 15.448 255 1HB GLN 35 HB2 GLN 35 48.956 -16.128 14.869 256 2HB GLN 35 HB3 GLN 35 48.405 -17.798 14.803 257 1HG GLN 35 HG2 GLN 35 48.783 -18.143 17.121 258 2HG GLN 35 HG3 GLN 35 49.716 -16.665 17.300 259 1HE2 GLN 35 HE22 GLN 35 48.633 -14.826 17.945 260 2HE2 GLN 35 HE21 GLN 35 46.873 -14.719 18.038 261 H LEU 36 H LEU 36 50.903 -15.953 13.002 262 HA LEU 36 HA LEU 36 50.197 -17.671 10.789 263 1HB LEU 36 HB2 LEU 36 49.849 -15.222 10.946 264 2HB LEU 36 HB3 LEU 36 51.587 -15.004 10.735 265 HG LEU 36 HG LEU 36 51.521 -16.063 8.543 266 1HD1 LEU 36 HD11 LEU 36 49.361 -16.558 7.407 267 2HD1 LEU 36 HD12 LEU 36 49.785 -17.761 8.640 268 3HD1 LEU 36 HD13 LEU 36 48.556 -16.526 8.967 269 1HD2 LEU 36 HD21 LEU 36 50.852 -13.637 8.910 270 2HD2 LEU 36 HD22 LEU 36 50.149 -14.330 7.443 271 3HD2 LEU 36 HD23 LEU 36 49.164 -14.198 8.905 272 H GLN 37 H GLN 37 53.376 -16.562 12.029 273 HA GLN 37 HA GLN 37 54.885 -18.049 10.053 274 1HB GLN 37 HB2 GLN 37 55.608 -16.929 12.794 275 2HB GLN 37 HB3 GLN 37 56.761 -17.783 11.755 276 1HG GLN 37 HG2 GLN 37 56.435 -16.135 9.953 277 2HG GLN 37 HG3 GLN 37 55.230 -15.284 10.912 278 1HE2 GLN 37 HE22 GLN 37 56.147 -13.351 11.541 279 2HE2 GLN 37 HE21 GLN 37 57.780 -13.208 12.203 280 H ASP 38 H ASP 38 53.496 -18.956 13.211 281 HA ASP 38 HA ASP 38 54.610 -21.620 13.212 282 1HB ASP 38 HB2 ASP 38 53.666 -20.604 15.229 283 2HB ASP 38 HB3 ASP 38 52.067 -20.558 14.492 284 H ALA 39 H ALA 39 51.630 -20.255 11.757 285 HA ALA 39 HA ALA 39 50.726 -22.712 10.622 286 1HB ALA 39 HB1 ALA 39 49.234 -21.511 9.366 287 2HB ALA 39 HB2 ALA 39 49.624 -20.208 10.566 288 3HB ALA 39 HB3 ALA 39 50.376 -20.213 8.976 289 H GLN 40 H GLN 40 52.927 -20.246 9.370 290 HA GLN 40 HA GLN 40 53.544 -21.557 6.907 291 1HB GLN 40 HB2 GLN 40 53.897 -19.065 7.671 292 2HB GLN 40 HB3 GLN 40 55.398 -19.645 8.387 293 1HG GLN 40 HG2 GLN 40 56.134 -20.490 6.154 294 2HG GLN 40 HG3 GLN 40 54.631 -19.909 5.441 295 1HE2 GLN 40 HE22 GLN 40 57.877 -19.088 6.024 296 2HE2 GLN 40 HE21 GLN 40 57.710 -17.352 5.796 297 H ALA 41 H ALA 41 54.856 -22.056 10.151 298 HA ALA 41 HA ALA 41 56.977 -23.850 9.153 299 1HB ALA 41 HB1 ALA 41 57.314 -22.544 11.195 300 2HB ALA 41 HB2 ALA 41 55.964 -23.414 11.979 301 3HB ALA 41 HB3 ALA 41 57.435 -24.291 11.470 302 H ASN 42 H ASN 42 53.671 -24.403 10.445 303 HA ASN 42 HA ASN 42 53.985 -27.291 10.204 304 1HB ASN 42 HB2 ASN 42 51.435 -25.550 10.158 305 2HB ASN 42 HB3 ASN 42 51.479 -27.275 10.023 306 1HD2 ASN 42 HD22 ASN 42 52.410 -24.650 12.311 307 2HD2 ASN 42 HD21 ASN 42 52.218 -25.685 13.711 308 H LEU 43 H LEU 43 53.102 -24.639 8.002 309 HA LEU 43 HA LEU 43 52.879 -26.288 5.696 310 1HB LEU 43 HB2 LEU 43 52.179 -23.715 6.216 311 2HB LEU 43 HB3 LEU 43 53.775 -23.403 5.564 312 HG LEU 43 HG LEU 43 53.193 -24.713 3.554 313 1HD1 LEU 43 HD11 LEU 43 50.565 -24.643 5.071 314 2HD1 LEU 43 HD12 LEU 43 50.617 -24.905 3.286 315 3HD1 LEU 43 HD13 LEU 43 51.365 -26.079 4.334 316 1HD2 LEU 43 HD21 LEU 43 51.739 -23.087 2.511 317 2HD2 LEU 43 HD22 LEU 43 51.286 -22.416 4.098 318 3HD2 LEU 43 HD23 LEU 43 52.966 -22.258 3.498 319 H THR 44 H THR 44 55.707 -24.728 7.216 320 HA THR 44 HA THR 44 57.467 -25.244 5.058 321 HB THR 44 HB THR 44 58.064 -25.079 8.025 322 HG1 THR 44 HG1 THR 44 57.395 -23.183 6.847 323 1HG2 THR 44 HG21 THR 44 59.912 -25.449 5.684 324 2HG2 THR 44 HG22 THR 44 60.432 -24.738 7.256 325 3HG2 THR 44 HG23 THR 44 59.800 -26.398 7.191 326 H LYS 45 H LYS 45 56.484 -27.295 7.786 327 HA LYS 45 HA LYS 45 58.163 -29.553 7.154 328 1HB LYS 45 HB2 LYS 45 55.398 -29.528 8.408 329 2HB LYS 45 HB3 LYS 45 56.546 -30.857 8.435 330 1HG LYS 45 HG2 LYS 45 56.609 -28.298 9.998 331 2HG LYS 45 HG3 LYS 45 56.607 -29.935 10.586 332 1HD LYS 45 HD2 LYS 45 58.906 -28.507 9.196 333 2HD LYS 45 HD3 LYS 45 58.775 -28.828 10.915 334 1HE LYS 45 HE2 LYS 45 58.914 -31.007 8.774 335 2HE LYS 45 HE3 LYS 45 60.317 -30.380 9.640 336 1HZ LYS 45 HZ1 LYS 45 59.319 -31.145 11.719 337 2HZ LYS 45 HZ2 LYS 45 58.012 -31.737 10.935 338 3HZ LYS 45 HZ3 LYS 45 59.483 -32.394 10.686 339 H ASN 46 H ASN 46 55.076 -28.605 5.747 340 HA ASN 46 HA ASN 46 55.663 -30.258 3.452 341 1HB ASN 46 HB2 ASN 46 54.433 -31.683 5.152 342 2HB ASN 46 HB3 ASN 46 53.114 -30.573 4.956 343 1HD2 ASN 46 HD22 ASN 46 52.523 -30.423 2.332 344 2HD2 ASN 46 HD21 ASN 46 52.734 -31.918 1.428 345 HA PRO 47 HA PRO 47 54.609 -25.947 2.528 346 1HB PRO 47 HB2 PRO 47 55.537 -26.989 -0.115 347 2HB PRO 47 HB3 PRO 47 55.731 -25.344 0.623 348 1HG PRO 47 HG2 PRO 47 57.731 -27.198 0.802 349 2HG PRO 47 HG3 PRO 47 57.312 -26.150 2.195 350 1HD PRO 47 HD2 PRO 47 56.734 -29.048 1.815 351 2HD PRO 47 HD3 PRO 47 56.917 -28.105 3.295 352 H SER 48 H SER 48 53.145 -28.579 0.507 353 HA SER 48 HA SER 48 50.748 -26.914 0.617 354 1HB SER 48 HB2 SER 48 50.231 -27.581 -1.578 355 2HB SER 48 HB3 SER 48 51.898 -26.994 -1.532 356 HG SER 48 HG SER 48 51.003 -29.694 -1.714 357 H ASP 49 H ASP 49 51.406 -28.692 2.626 358 HA ASP 49 HA ASP 49 49.598 -31.006 2.496 359 1HB ASP 49 HB2 ASP 49 51.192 -31.198 4.121 360 2HB ASP 49 HB3 ASP 49 51.076 -29.599 4.740 361 HA PRO 50 HA PRO 50 46.305 -28.200 2.097 362 1HB PRO 50 HB2 PRO 50 44.137 -29.807 2.405 363 2HB PRO 50 HB3 PRO 50 45.227 -29.761 0.957 364 1HG PRO 50 HG2 PRO 50 45.210 -31.710 3.304 365 2HG PRO 50 HG3 PRO 50 45.360 -32.100 1.559 366 1HD PRO 50 HD2 PRO 50 47.527 -31.872 3.269 367 2HD PRO 50 HD3 PRO 50 47.620 -31.435 1.529 368 H THR 51 H THR 51 46.453 -29.990 5.149 369 HA THR 51 HA THR 51 44.482 -28.178 6.504 370 HB THR 51 HB THR 51 46.308 -30.388 7.359 371 HG1 THR 51 HG1 THR 51 44.309 -30.960 6.476 372 1HG2 THR 51 HG21 THR 51 45.310 -30.141 9.652 373 2HG2 THR 51 HG22 THR 51 46.454 -28.863 9.204 374 3HG2 THR 51 HG23 THR 51 44.697 -28.548 9.127 375 H ALA 52 H ALA 52 48.050 -28.669 6.315 376 HA ALA 52 HA ALA 52 48.748 -26.372 7.931 377 1HB ALA 52 HB1 ALA 52 50.322 -28.235 7.137 378 2HB ALA 52 HB2 ALA 52 50.096 -27.677 5.482 379 3HB ALA 52 HB3 ALA 52 50.883 -26.610 6.663 380 H LEU 53 H LEU 53 48.010 -26.636 4.496 381 HA LEU 53 HA LEU 53 48.445 -23.835 4.090 382 1HB LEU 53 HB2 LEU 53 48.778 -25.811 2.577 383 2HB LEU 53 HB3 LEU 53 47.049 -25.859 2.280 384 HG LEU 53 HG LEU 53 47.174 -24.088 0.800 385 1HD1 LEU 53 HD11 LEU 53 47.887 -22.313 2.275 386 2HD1 LEU 53 HD12 LEU 53 49.527 -23.016 2.365 387 3HD1 LEU 53 HD13 LEU 53 48.939 -22.325 0.836 388 1HD2 LEU 53 HD21 LEU 53 49.245 -24.302 -0.488 389 2HD2 LEU 53 HD22 LEU 53 50.116 -24.885 0.954 390 3HD2 LEU 53 HD23 LEU 53 48.815 -25.892 0.195 391 H ALA 54 H ALA 54 45.496 -25.813 4.599 392 HA ALA 54 HA ALA 54 43.601 -23.703 4.414 393 1HB ALA 54 HB1 ALA 54 43.706 -26.259 6.123 394 2HB ALA 54 HB2 ALA 54 42.267 -25.225 5.976 395 3HB ALA 54 HB3 ALA 54 42.903 -26.059 4.550 396 H ASN 55 H ASN 55 45.615 -24.844 7.110 397 HA ASN 55 HA ASN 55 44.623 -23.135 9.118 398 1HB ASN 55 HB2 ASN 55 45.925 -25.144 9.616 399 2HB ASN 55 HB3 ASN 55 47.283 -24.556 8.683 400 1HD2 ASN 55 HD22 ASN 55 48.918 -23.960 9.829 401 2HD2 ASN 55 HD21 ASN 55 48.807 -23.294 11.468 402 H TYR 56 H TYR 56 47.616 -22.895 7.189 403 HA TYR 56 HA TYR 56 48.278 -20.185 7.807 404 1HB TYR 56 HB2 TYR 56 49.859 -21.613 6.751 405 2HB TYR 56 HB3 TYR 56 48.778 -21.989 5.420 406 HD1 TYR 56 HD1 TYR 56 48.572 -20.483 3.520 407 HD2 TYR 56 HD2 TYR 56 51.305 -19.698 6.761 408 HE1 TYR 56 HE1 TYR 56 50.001 -19.119 1.990 409 HE2 TYR 56 HE2 TYR 56 52.718 -18.332 5.241 410 HH TYR 56 HH TYR 56 53.055 -17.606 3.091 411 H GLN 57 H GLN 57 46.052 -21.271 5.205 412 HA GLN 57 HA GLN 57 45.588 -18.559 4.355 413 1HB GLN 57 HB2 GLN 57 44.029 -21.130 3.971 414 2HB GLN 57 HB3 GLN 57 43.416 -19.588 3.381 415 1HG GLN 57 HG2 GLN 57 46.155 -20.688 2.620 416 2HG GLN 57 HG3 GLN 57 44.695 -20.919 1.667 417 1HE2 GLN 57 HE22 GLN 57 47.356 -18.783 2.215 418 2HE2 GLN 57 HE21 GLN 57 46.719 -17.447 1.275 419 H MET 58 H MET 58 43.934 -20.560 6.817 420 HA MET 58 HA MET 58 41.850 -18.669 7.392 421 1HB MET 58 HB2 MET 58 41.627 -20.993 7.869 422 2HB MET 58 HB3 MET 58 43.042 -21.008 8.920 423 1HG MET 58 HG2 MET 58 40.597 -19.334 9.522 424 2HG MET 58 HG3 MET 58 40.674 -21.033 9.958 425 1HE MET 58 HE1 MET 58 42.071 -22.090 11.839 426 2HE MET 58 HE2 MET 58 43.582 -21.596 11.040 427 3HE MET 58 HE3 MET 58 43.333 -21.242 12.759 428 H ILE 59 H ILE 59 45.036 -19.230 8.997 429 HA ILE 59 HA ILE 59 44.679 -17.102 10.900 430 HB ILE 59 HB ILE 59 47.112 -18.603 9.862 431 1HG1 ILE 59 HG12 ILE 59 45.619 -18.911 12.524 432 2HG1 ILE 59 HG13 ILE 59 45.348 -19.963 11.139 433 1HG2 ILE 59 HG21 ILE 59 48.336 -17.766 11.712 434 2HG2 ILE 59 HG22 ILE 59 47.661 -16.355 10.919 435 3HG2 ILE 59 HG23 ILE 59 46.906 -16.943 12.402 436 1HD1 ILE 59 HD11 ILE 59 47.627 -20.716 11.138 437 2HD1 ILE 59 HD12 ILE 59 48.048 -19.675 12.510 438 3HD1 ILE 59 HD13 ILE 59 46.891 -20.990 12.737 439 H MET 60 H MET 60 46.117 -17.316 7.625 440 HA MET 60 HA MET 60 47.067 -14.645 7.584 441 1HB MET 60 HB2 MET 60 47.688 -16.522 6.015 442 2HB MET 60 HB3 MET 60 46.203 -16.180 5.121 443 1HG MET 60 HG2 MET 60 47.033 -13.879 4.740 444 2HG MET 60 HG3 MET 60 48.373 -14.190 5.875 445 1HE MET 60 HE1 MET 60 50.979 -16.099 4.195 446 2HE MET 60 HE2 MET 60 50.296 -15.303 5.622 447 3HE MET 60 HE3 MET 60 49.724 -16.927 5.153 448 H SER 61 H SER 61 43.895 -16.003 6.756 449 HA SER 61 HA SER 61 42.674 -13.603 5.767 450 1HB SER 61 HB2 SER 61 41.457 -15.966 7.267 451 2HB SER 61 HB3 SER 61 40.533 -14.648 6.526 452 HG SER 61 HG SER 61 42.280 -16.492 5.240 453 H GLU 62 H GLU 62 42.893 -14.896 9.136 454 HA GLU 62 HA GLU 62 41.694 -12.611 10.375 455 1HB GLU 62 HB2 GLU 62 42.048 -14.916 11.385 456 2HB GLU 62 HB3 GLU 62 43.759 -14.532 11.531 457 1HG GLU 62 HG2 GLU 62 42.811 -14.166 13.662 458 2HG GLU 62 HG3 GLU 62 43.126 -12.569 13.006 459 H TYR 63 H TYR 63 45.117 -13.374 9.766 460 HA TYR 63 HA TYR 63 46.314 -11.085 10.924 461 1HB TYR 63 HB2 TYR 63 47.602 -13.011 10.243 462 2HB TYR 63 HB3 TYR 63 47.106 -12.856 8.576 463 HD1 TYR 63 HD1 TYR 63 48.300 -11.659 7.006 464 HD2 TYR 63 HD2 TYR 63 49.145 -11.134 11.208 465 HE1 TYR 63 HE1 TYR 63 50.401 -10.475 6.431 466 HE2 TYR 63 HE2 TYR 63 51.244 -9.926 10.631 467 HH TYR 63 HH TYR 63 52.613 -9.176 8.948 468 H ASN 64 H ASN 64 45.160 -11.558 7.596 469 HA ASN 64 HA ASN 64 46.031 -8.969 6.737 470 1HB ASN 64 HB2 ASN 64 45.779 -10.929 5.227 471 2HB ASN 64 HB3 ASN 64 44.029 -10.887 5.458 472 1HD2 ASN 64 HD22 ASN 64 43.054 -9.990 3.659 473 2HD2 ASN 64 HD21 ASN 64 43.727 -8.649 2.745 474 H LEU 65 H LEU 65 42.896 -10.274 7.821 475 HA LEU 65 HA LEU 65 41.284 -7.962 7.361 476 1HB LEU 65 HB2 LEU 65 40.498 -10.265 7.720 477 2HB LEU 65 HB3 LEU 65 40.956 -10.190 9.418 478 HG LEU 65 HG LEU 65 38.917 -8.304 8.148 479 1HD1 LEU 65 HD11 LEU 65 38.429 -10.973 9.539 480 2HD1 LEU 65 HD12 LEU 65 37.177 -9.836 8.986 481 3HD1 LEU 65 HD13 LEU 65 38.213 -10.645 7.805 482 1HD2 LEU 65 HD21 LEU 65 38.004 -8.222 10.493 483 2HD2 LEU 65 HD22 LEU 65 39.411 -9.156 11.043 484 3HD2 LEU 65 HD23 LEU 65 39.607 -7.521 10.371 485 H TYR 66 H TYR 66 43.042 -9.004 10.311 486 HA TYR 66 HA TYR 66 42.353 -6.748 11.902 487 1HB TYR 66 HB2 TYR 66 43.387 -8.837 12.761 488 2HB TYR 66 HB3 TYR 66 44.911 -8.394 11.999 489 HD1 TYR 66 HD1 TYR 66 42.555 -7.676 14.751 490 HD2 TYR 66 HD2 TYR 66 46.261 -6.490 12.882 491 HE1 TYR 66 HE1 TYR 66 43.115 -6.274 16.738 492 HE2 TYR 66 HE2 TYR 66 46.803 -5.077 14.853 493 HH TYR 66 HH TYR 66 46.132 -4.347 16.923 494 H ARG 67 H ARG 67 45.142 -7.214 9.736 495 HA ARG 67 HA ARG 67 46.321 -4.611 10.117 496 1HB ARG 67 HB2 ARG 67 46.503 -6.702 7.923 497 2HB ARG 67 HB3 ARG 67 47.375 -5.162 7.830 498 1HG ARG 67 HG2 ARG 67 48.569 -5.609 9.895 499 2HG ARG 67 HG3 ARG 67 47.602 -7.049 10.219 500 1HD ARG 67 HD2 ARG 67 49.800 -7.662 9.394 501 2HD ARG 67 HD3 ARG 67 48.537 -8.194 8.289 502 HE ARG 67 HE ARG 67 50.301 -5.782 7.887 503 1HH1 ARG 67 HH21 ARG 67 48.619 -8.476 6.417 504 2HH1 ARG 67 HH22 ARG 67 49.029 -7.969 4.800 505 1HH2 ARG 67 HH11 ARG 67 50.843 -5.231 5.813 506 2HH2 ARG 67 HH12 ARG 67 50.307 -6.211 4.483 507 H ASN 68 H ASN 68 43.921 -5.696 7.673 508 HA ASN 68 HA ASN 68 43.594 -3.115 6.453 509 1HB ASN 68 HB2 ASN 68 42.816 -5.291 5.478 510 2HB ASN 68 HB3 ASN 68 41.591 -5.394 6.742 511 1HD2 ASN 68 HD22 ASN 68 39.590 -4.804 5.935 512 2HD2 ASN 68 HD21 ASN 68 39.353 -3.531 4.749 513 H ALA 69 H ALA 69 41.959 -4.529 9.281 514 HA ALA 69 HA ALA 69 40.268 -2.271 9.627 515 1HB ALA 69 HB1 ALA 69 39.810 -4.487 10.639 516 2HB ALA 69 HB2 ALA 69 41.231 -4.311 11.694 517 3HB ALA 69 HB3 ALA 69 39.843 -3.222 11.884 518 H GLN 70 H GLN 70 43.564 -2.920 10.866 519 HA GLN 70 HA GLN 70 43.827 -0.592 12.482 520 1HB GLN 70 HB2 GLN 70 45.331 -2.681 12.226 521 2HB GLN 70 HB3 GLN 70 46.069 -1.861 10.859 522 1HG GLN 70 HG2 GLN 70 45.907 -0.811 13.723 523 2HG GLN 70 HG3 GLN 70 47.299 -1.631 13.034 524 1HE2 GLN 70 HE22 GLN 70 46.661 1.301 14.045 525 2HE2 GLN 70 HE21 GLN 70 47.400 2.257 12.770 526 H SER 71 H SER 71 44.654 -1.048 8.977 527 HA SER 71 HA SER 71 45.269 1.665 8.407 528 1HB SER 71 HB2 SER 71 44.080 -0.470 6.593 529 2HB SER 71 HB3 SER 71 44.783 1.065 6.051 530 HG SER 71 HG SER 71 46.299 -0.659 5.967 531 H SER 72 H SER 72 42.078 0.090 8.581 532 HA SER 72 HA SER 72 40.579 2.345 7.544 533 1HB SER 72 HB2 SER 72 39.786 -0.034 7.655 534 2HB SER 72 HB3 SER 72 39.630 0.140 9.414 535 HG SER 72 HG SER 72 37.665 0.571 8.244 536 H ALA 73 H ALA 73 41.351 1.259 10.900 537 HA ALA 73 HA ALA 73 40.035 3.349 12.270 538 1HB ALA 73 HB1 ALA 73 42.511 1.764 13.074 539 2HB ALA 73 HB2 ALA 73 41.452 2.680 14.168 540 3HB ALA 73 HB3 ALA 73 40.823 1.259 13.313 541 H VAL 74 H VAL 74 43.320 3.294 10.889 542 HA VAL 74 HA VAL 74 44.306 5.769 11.842 543 HB VAL 74 HB VAL 74 44.794 3.967 9.478 544 1HG1 VAL 74 HG11 VAL 74 46.737 5.304 8.801 545 2HG1 VAL 74 HG12 VAL 74 45.199 6.095 8.453 546 3HG1 VAL 74 HG13 VAL 74 46.177 6.634 9.848 547 1HG2 VAL 74 HG21 VAL 74 45.664 3.440 11.757 548 2HG2 VAL 74 HG22 VAL 74 46.949 3.659 10.559 549 3HG2 VAL 74 HG23 VAL 74 46.594 4.953 11.729 550 H LYS 75 H LYS 75 41.994 5.132 9.235 551 HA LYS 75 HA LYS 75 41.880 8.024 8.503 552 1HB LYS 75 HB2 LYS 75 40.661 5.537 7.240 553 2HB LYS 75 HB3 LYS 75 40.386 7.191 6.671 554 1HG LYS 75 HG2 LYS 75 42.853 7.491 6.388 555 2HG LYS 75 HG3 LYS 75 43.093 5.790 6.783 556 1HD LYS 75 HD2 LYS 75 41.439 6.878 4.461 557 2HD LYS 75 HD3 LYS 75 43.080 6.257 4.325 558 1HE LYS 75 HE2 LYS 75 40.661 4.623 5.232 559 2HE LYS 75 HE3 LYS 75 41.307 4.655 3.591 560 1HZ LYS 75 HZ1 LYS 75 42.775 3.676 5.988 561 2HZ LYS 75 HZ2 LYS 75 42.194 2.767 4.758 562 3HZ LYS 75 HZ3 LYS 75 43.424 3.803 4.484 563 H SER 76 H SER 76 40.562 6.293 10.895 564 HA SER 76 HA SER 76 37.962 7.798 10.903 565 1HB SER 76 HB2 SER 76 38.522 5.095 12.172 566 2HB SER 76 HB3 SER 76 36.967 5.934 12.066 567 HG SER 76 HG SER 76 38.503 4.766 9.973 568 H MET 77 H MET 77 40.918 7.901 12.307 569 HA MET 77 HA MET 77 40.615 7.514 15.009 570 1HB MET 77 HB2 MET 77 42.730 7.886 13.724 571 2HB MET 77 HB3 MET 77 42.399 9.626 13.739 572 1HG MET 77 HG2 MET 77 42.456 9.612 16.213 573 2HG MET 77 HG3 MET 77 42.684 7.859 16.207 574 1HE MET 77 HE1 MET 77 44.497 9.810 17.884 575 2HE MET 77 HE2 MET 77 44.720 8.047 17.824 576 3HE MET 77 HE3 MET 77 46.107 9.127 17.564 577 H LYS 78 H LYS 78 39.764 10.565 13.306 578 HA LYS 78 HA LYS 78 39.299 12.046 15.718 579 1HB LYS 78 HB2 LYS 78 39.462 12.781 13.131 580 2HB LYS 78 HB3 LYS 78 37.714 12.697 13.239 581 1HG LYS 78 HG2 LYS 78 39.637 14.504 14.749 582 2HG LYS 78 HG3 LYS 78 38.408 14.943 13.581 583 1HD LYS 78 HD2 LYS 78 37.377 15.642 15.492 584 2HD LYS 78 HD3 LYS 78 36.716 14.009 15.404 585 1HE LYS 78 HE2 LYS 78 38.618 13.282 16.950 586 2HE LYS 78 HE3 LYS 78 39.108 14.971 17.069 587 1HZ LYS 78 HZ1 LYS 78 37.715 14.187 18.910 588 2HZ LYS 78 HZ2 LYS 78 36.984 15.440 18.126 589 3HZ LYS 78 HZ3 LYS 78 36.457 13.903 17.894 590 H ASP 79 H ASP 79 37.104 10.108 13.670 591 HA ASP 79 HA ASP 79 34.705 10.599 15.179 592 1HB ASP 79 HB2 ASP 79 35.483 8.237 13.415 593 2HB ASP 79 HB3 ASP 79 33.874 8.532 14.062 594 H ILE 80 H ILE 80 37.221 8.067 15.432 595 HA ILE 80 HA ILE 80 36.005 6.611 17.590 596 HB ILE 80 HB ILE 80 38.907 6.848 16.719 597 1HG1 ILE 80 HG12 ILE 80 36.936 4.559 16.215 598 2HG1 ILE 80 HG13 ILE 80 37.154 5.863 15.066 599 1HG2 ILE 80 HG21 ILE 80 38.836 6.017 19.040 600 2HG2 ILE 80 HG22 ILE 80 37.632 4.792 18.582 601 3HG2 ILE 80 HG23 ILE 80 39.292 4.717 17.961 602 1HD1 ILE 80 HD11 ILE 80 38.469 3.990 14.347 603 2HD1 ILE 80 HD12 ILE 80 39.569 5.288 14.843 604 3HD1 ILE 80 HD13 ILE 80 39.303 3.880 15.899 605 H ASP 81 H ASP 81 38.285 9.355 17.575 606 HA ASP 81 HA ASP 81 38.591 9.491 20.420 607 1HB ASP 81 HB2 ASP 81 40.170 10.591 18.967 608 2HB ASP 81 HB3 ASP 81 38.906 11.557 18.215 609 H SER 82 H SER 82 36.228 11.026 18.235 610 HA SER 82 HA SER 82 34.794 12.505 20.259 611 1HB SER 82 HB2 SER 82 33.930 11.448 17.548 612 2HB SER 82 HB3 SER 82 32.951 12.524 18.569 613 HG SER 82 HG SER 82 34.116 13.745 17.086 614 H SER 83 H SER 83 34.404 9.171 19.016 615 HA SER 83 HA SER 83 33.063 8.376 21.498 616 1HB SER 83 HB2 SER 83 31.166 9.150 20.038 617 2HB SER 83 HB3 SER 83 31.669 7.941 18.838 618 HG SER 83 HG SER 83 29.998 7.209 20.305 619 H ILE 84 H ILE 84 34.118 6.586 22.033 620 HA ILE 84 HA ILE 84 35.843 5.262 20.160 621 HB ILE 84 HB ILE 84 36.453 6.009 22.399 622 1HG1 ILE 84 HG12 ILE 84 37.034 3.052 22.024 623 2HG1 ILE 84 HG13 ILE 84 37.766 4.353 21.083 624 1HG2 ILE 84 HG21 ILE 84 34.395 5.240 23.629 625 2HG2 ILE 84 HG22 ILE 84 35.000 3.577 23.521 626 3HG2 ILE 84 HG23 ILE 84 35.910 4.804 24.416 627 1HD1 ILE 84 HD11 ILE 84 39.275 3.703 22.855 628 2HD1 ILE 84 HD12 ILE 84 38.678 5.341 23.186 629 3HD1 ILE 84 HD13 ILE 84 38.029 3.948 24.089 630 H LEU 85 H LEU 85 33.406 4.759 19.208 631 HA LEU 85 HA LEU 85 33.113 1.793 19.386 632 1HB LEU 85 HB2 LEU 85 30.880 3.871 19.351 633 2HB LEU 85 HB3 LEU 85 30.635 2.149 19.091 634 HG LEU 85 HG LEU 85 31.679 3.390 21.676 635 1HD1 LEU 85 HD11 LEU 85 29.467 2.810 22.571 636 2HD1 LEU 85 HD12 LEU 85 29.311 3.925 21.206 637 3HD1 LEU 85 HD13 LEU 85 28.960 2.197 20.982 638 1HD2 LEU 85 HD21 LEU 85 30.862 0.522 21.002 639 2HD2 LEU 85 HD22 LEU 85 32.497 1.080 21.425 640 3HD2 LEU 85 HD23 LEU 85 31.213 1.135 22.634 641 H GLU 86 H GLU 86 32.931 0.808 17.474 642 HA GLU 86 HA GLU 86 33.607 1.971 15.006 643 1HB GLU 86 HB2 GLU 86 33.768 -0.416 15.594 644 2HB GLU 86 HB3 GLU 86 32.006 -0.550 15.612 645 1HG GLU 86 HG2 GLU 86 31.926 -0.055 13.193 646 2HG GLU 86 HG3 GLU 86 33.678 0.180 13.169 647 H HIS 87 H HIS 87 30.403 1.550 16.434 648 HA HIS 87 HA HIS 87 28.756 2.017 14.211 649 1HB HIS 87 HB2 HIS 87 28.203 2.849 17.082 650 2HB HIS 87 HB3 HIS 87 27.016 2.441 15.845 651 HD1 HIS 87 HD1 HIS 87 27.764 -0.372 14.888 652 HD2 HIS 87 HD2 HIS 87 28.298 0.967 18.843 653 HE1 HIS 87 HE1 HIS 87 27.908 -2.463 16.338 654 H HIS 88 H HIS 88 30.665 4.410 15.950 655 HA HIS 88 HA HIS 88 28.955 6.666 15.326 656 1HB HIS 88 HB2 HIS 88 30.474 6.546 17.287 657 2HB HIS 88 HB3 HIS 88 31.867 6.585 16.203 658 HD1 HIS 88 HD1 HIS 88 32.855 8.988 16.521 659 HD2 HIS 88 HD2 HIS 88 28.653 8.861 16.235 660 HE1 HIS 88 HE1 HIS 88 32.059 11.413 16.360 661 H HIS 89 H HIS 89 31.648 5.130 13.602 662 HA HIS 89 HA HIS 89 32.172 7.352 11.808 663 1HB HIS 89 HB2 HIS 89 33.881 5.695 12.291 664 2HB HIS 89 HB3 HIS 89 32.871 4.400 11.644 665 HD1 HIS 89 HD1 HIS 89 32.979 4.045 9.027 666 HD2 HIS 89 HD2 HIS 89 34.761 7.596 10.410 667 HE1 HIS 89 HE1 HIS 89 34.161 5.080 7.017 668 H HIS 90 H HIS 90 30.501 8.106 10.637 669 HA HIS 90 HA HIS 90 29.203 6.405 8.616 670 1HB HIS 90 HB2 HIS 90 27.850 6.147 10.718 671 2HB HIS 90 HB3 HIS 90 27.615 7.893 10.757 672 HD1 HIS 90 HD1 HIS 90 25.333 8.573 9.714 673 HD2 HIS 90 HD2 HIS 90 26.970 5.015 8.142 674 HE1 HIS 90 HE1 HIS 90 23.673 7.721 7.969 675 H HIS 91 H HIS 91 27.850 7.696 7.118 676 HA HIS 91 HA HIS 91 29.247 10.006 6.179 677 1HB HIS 91 HB2 HIS 91 27.946 8.165 4.924 678 2HB HIS 91 HB3 HIS 91 26.488 9.071 5.312 679 HD1 HIS 91 HD1 HIS 91 28.020 11.995 4.629 680 HD2 HIS 91 HD2 HIS 91 27.676 8.501 2.312 681 HE1 HIS 91 HE1 HIS 91 28.350 12.714 2.193 682 H HIS 92 H HIS 92 26.510 9.723 8.328 683 HA HIS 92 HA HIS 92 26.195 12.653 8.564 684 1HB HIS 92 HB2 HIS 92 24.646 11.832 6.750 685 2HB HIS 92 HB3 HIS 92 23.862 10.792 7.937 686 HD1 HIS 92 HD1 HIS 92 24.060 13.397 10.144 687 HD2 HIS 92 HD2 HIS 92 22.232 13.056 6.375 688 HE1 HIS 92 HE1 HIS 92 22.209 15.184 10.078 Start of MODEL 15 1 1H MET 1 H1 MET 1 67.960 -6.310 -37.166 2 2H MET 1 H2 MET 1 66.945 -6.818 -38.349 3 3H MET 1 H3 MET 1 66.467 -5.656 -37.303 4 HA MET 1 HA MET 1 65.413 -7.716 -36.730 5 1HB MET 1 HB2 MET 1 67.191 -9.138 -37.732 6 2HB MET 1 HB3 MET 1 68.247 -8.796 -36.362 7 1HG MET 1 HG2 MET 1 65.487 -10.050 -36.066 8 2HG MET 1 HG3 MET 1 66.931 -10.997 -36.398 9 1HE MET 1 HE1 MET 1 66.296 -12.527 -34.328 10 2HE MET 1 HE2 MET 1 66.061 -11.903 -32.681 11 3HE MET 1 HE3 MET 1 64.899 -11.486 -33.960 12 H SER 2 H SER 2 64.598 -7.631 -34.711 13 HA SER 2 HA SER 2 66.201 -6.948 -32.356 14 1HB SER 2 HB2 SER 2 64.828 -4.993 -31.753 15 2HB SER 2 HB3 SER 2 65.720 -4.719 -33.253 16 HG SER 2 HG SER 2 63.537 -4.042 -33.429 17 H ASN 3 H ASN 3 64.594 -6.755 -30.386 18 HA ASN 3 HA ASN 3 62.249 -8.529 -30.653 19 1HB ASN 3 HB2 ASN 3 63.037 -10.052 -28.911 20 2HB ASN 3 HB3 ASN 3 64.174 -10.033 -30.245 21 1HD2 ASN 3 HD22 ASN 3 63.682 -9.079 -26.829 22 2HD2 ASN 3 HD21 ASN 3 65.393 -8.794 -26.553 23 HA PRO 4 HA PRO 4 60.710 -5.969 -27.272 24 1HB PRO 4 HB2 PRO 4 58.703 -7.505 -26.273 25 2HB PRO 4 HB3 PRO 4 58.629 -6.796 -27.915 26 1HG PRO 4 HG2 PRO 4 59.469 -9.605 -27.128 27 2HG PRO 4 HG3 PRO 4 58.293 -9.117 -28.391 28 1HD PRO 4 HD2 PRO 4 60.903 -9.704 -28.940 29 2HD PRO 4 HD3 PRO 4 60.010 -8.470 -29.862 30 HA PRO 5 HA PRO 5 62.462 -7.207 -23.273 31 1HB PRO 5 HB2 PRO 5 59.698 -6.641 -22.189 32 2HB PRO 5 HB3 PRO 5 61.284 -6.122 -21.542 33 1HG PRO 5 HG2 PRO 5 59.742 -4.392 -22.954 34 2HG PRO 5 HG3 PRO 5 61.514 -4.455 -23.231 35 1HD PRO 5 HD2 PRO 5 59.310 -5.654 -24.915 36 2HD PRO 5 HD3 PRO 5 60.819 -4.844 -25.410 37 H THR 6 H THR 6 62.071 -8.695 -21.373 38 HA THR 6 HA THR 6 60.307 -11.029 -22.013 39 HB THR 6 HB THR 6 62.000 -12.557 -21.380 40 HG1 THR 6 HG1 THR 6 64.150 -11.782 -21.046 41 1HG2 THR 6 HG21 THR 6 63.535 -12.395 -23.228 42 2HG2 THR 6 HG22 THR 6 61.942 -11.829 -23.759 43 3HG2 THR 6 HG23 THR 6 63.232 -10.654 -23.407 44 HA PRO 7 HA PRO 7 58.889 -11.217 -17.878 45 1HB PRO 7 HB2 PRO 7 59.575 -14.152 -17.936 46 2HB PRO 7 HB3 PRO 7 58.031 -13.351 -17.501 47 1HG PRO 7 HG2 PRO 7 58.326 -14.543 -19.918 48 2HG PRO 7 HG3 PRO 7 57.490 -12.960 -19.778 49 1HD PRO 7 HD2 PRO 7 60.351 -13.513 -20.597 50 2HD PRO 7 HD3 PRO 7 59.168 -12.449 -21.345 51 H LEU 8 H LEU 8 62.180 -11.773 -18.433 52 HA LEU 8 HA LEU 8 63.119 -12.895 -16.019 53 1HB LEU 8 HB2 LEU 8 64.313 -12.694 -18.206 54 2HB LEU 8 HB3 LEU 8 64.466 -10.958 -17.946 55 HG LEU 8 HG LEU 8 65.926 -11.373 -15.980 56 1HD1 LEU 8 HD11 LEU 8 65.093 -13.570 -15.225 57 2HD1 LEU 8 HD12 LEU 8 65.643 -14.317 -16.744 58 3HD1 LEU 8 HD13 LEU 8 66.818 -13.659 -15.584 59 1HD2 LEU 8 HD21 LEU 8 67.859 -12.227 -17.230 60 2HD2 LEU 8 HD22 LEU 8 66.781 -12.867 -18.490 61 3HD2 LEU 8 HD23 LEU 8 66.904 -11.114 -18.222 62 H LEU 9 H LEU 9 61.981 -9.659 -16.597 63 HA LEU 9 HA LEU 9 63.243 -8.236 -14.469 64 1HB LEU 9 HB2 LEU 9 62.064 -7.197 -16.362 65 2HB LEU 9 HB3 LEU 9 60.538 -7.892 -15.823 66 HG LEU 9 HG LEU 9 60.636 -6.509 -13.751 67 1HD1 LEU 9 HD11 LEU 9 63.066 -6.199 -13.500 68 2HD1 LEU 9 HD12 LEU 9 63.131 -5.305 -15.038 69 3HD1 LEU 9 HD13 LEU 9 62.266 -4.635 -13.636 70 1HD2 LEU 9 HD21 LEU 9 60.975 -4.933 -16.338 71 2HD2 LEU 9 HD22 LEU 9 59.471 -5.688 -15.764 72 3HD2 LEU 9 HD23 LEU 9 60.192 -4.353 -14.851 73 H ALA 10 H ALA 10 63.267 -9.054 -12.450 74 HA ALA 10 HA ALA 10 60.730 -9.820 -11.085 75 1HB ALA 10 HB1 ALA 10 61.782 -11.810 -12.145 76 2HB ALA 10 HB2 ALA 10 63.276 -11.493 -11.236 77 3HB ALA 10 HB3 ALA 10 61.779 -11.923 -10.378 78 H ASP 11 H ASP 11 62.629 -7.463 -10.758 79 HA ASP 11 HA ASP 11 64.240 -7.745 -8.454 80 1HB ASP 11 HB2 ASP 11 64.430 -5.382 -8.468 81 2HB ASP 11 HB3 ASP 11 64.378 -5.919 -10.140 82 H TYR 12 H TYR 12 60.818 -7.652 -8.527 83 HA TYR 12 HA TYR 12 60.075 -6.587 -6.034 84 1HB TYR 12 HB2 TYR 12 58.891 -9.121 -7.188 85 2HB TYR 12 HB3 TYR 12 58.082 -7.850 -6.292 86 HD1 TYR 12 HD1 TYR 12 58.941 -9.140 -9.548 87 HD2 TYR 12 HD2 TYR 12 57.798 -5.540 -7.455 88 HE1 TYR 12 HE1 TYR 12 58.289 -8.095 -11.709 89 HE2 TYR 12 HE2 TYR 12 57.123 -4.504 -9.623 90 HH TYR 12 HH TYR 12 57.416 -6.248 -12.744 91 H GLU 13 H GLU 13 61.717 -9.610 -6.745 92 HA GLU 13 HA GLU 13 61.144 -10.915 -4.227 93 1HB GLU 13 HB2 GLU 13 61.702 -11.810 -6.700 94 2HB GLU 13 HB3 GLU 13 63.322 -11.923 -6.045 95 1HG GLU 13 HG2 GLU 13 60.770 -13.171 -4.909 96 2HG GLU 13 HG3 GLU 13 61.979 -14.012 -5.861 97 H TRP 14 H TRP 14 62.122 -8.546 -3.529 98 HA TRP 14 HA TRP 14 64.599 -9.248 -2.010 99 1HB TRP 14 HB2 TRP 14 65.201 -7.809 -3.940 100 2HB TRP 14 HB3 TRP 14 64.074 -6.583 -3.371 101 HD1 TRP 14 HD1 TRP 14 67.372 -8.293 -2.382 102 HE1 TRP 14 HE1 TRP 14 68.715 -6.759 -0.818 103 HE3 TRP 14 HE3 TRP 14 63.921 -4.553 -1.749 104 HZ2 TRP 14 HZ2 TRP 14 68.340 -4.241 0.538 105 HZ3 TRP 14 HZ3 TRP 14 64.443 -2.598 -0.305 106 HH2 TRP 14 HH2 TRP 14 66.640 -2.434 0.844 107 H SER 15 H SER 15 61.405 -7.892 -1.990 108 HA SER 15 HA SER 15 61.415 -6.178 0.207 109 1HB SER 15 HB2 SER 15 59.537 -6.673 -1.387 110 2HB SER 15 HB3 SER 15 59.226 -8.170 -0.489 111 HG SER 15 HG SER 15 57.920 -6.372 0.191 112 H GLY 16 H GLY 16 61.550 -9.695 0.278 113 1HA GLY 16 HA2 GLY 16 61.014 -10.376 2.936 114 2HA GLY 16 HA3 GLY 16 62.228 -11.140 1.894 115 H TYR 17 H TYR 17 63.890 -8.735 1.692 116 HA TYR 17 HA TYR 17 65.644 -9.107 3.911 117 1HB TYR 17 HB2 TYR 17 66.290 -8.259 1.663 118 2HB TYR 17 HB3 TYR 17 65.435 -6.758 1.989 119 HD1 TYR 17 HD1 TYR 17 68.129 -8.958 3.458 120 HD2 TYR 17 HD2 TYR 17 66.681 -4.940 2.831 121 HE1 TYR 17 HE1 TYR 17 70.214 -8.041 4.477 122 HE2 TYR 17 HE2 TYR 17 68.761 -4.030 3.844 123 HH TYR 17 HH TYR 17 70.788 -4.516 4.797 124 H LEU 18 H LEU 18 62.994 -6.801 3.449 125 HA LEU 18 HA LEU 18 63.622 -5.240 5.864 126 1HB LEU 18 HB2 LEU 18 61.292 -5.258 3.896 127 2HB LEU 18 HB3 LEU 18 61.257 -4.346 5.394 128 HG LEU 18 HG LEU 18 63.278 -3.083 4.720 129 1HD1 LEU 18 HD11 LEU 18 64.345 -4.554 3.089 130 2HD1 LEU 18 HD12 LEU 18 62.913 -4.486 2.035 131 3HD1 LEU 18 HD13 LEU 18 63.910 -3.040 2.309 132 1HD2 LEU 18 HD21 LEU 18 60.994 -2.220 4.338 133 2HD2 LEU 18 HD22 LEU 18 62.114 -1.670 3.084 134 3HD2 LEU 18 HD23 LEU 18 60.970 -2.987 2.733 135 H THR 19 H THR 19 61.670 -8.146 5.195 136 HA THR 19 HA THR 19 60.129 -8.159 7.590 137 HB THR 19 HB THR 19 61.367 -10.611 6.292 138 HG1 THR 19 HG1 THR 19 59.470 -10.608 5.034 139 1HG2 THR 19 HG21 THR 19 58.753 -10.190 7.813 140 2HG2 THR 19 HG22 THR 19 59.256 -11.700 7.015 141 3HG2 THR 19 HG23 THR 19 60.169 -11.093 8.397 142 H GLY 20 H GLY 20 63.541 -8.774 7.069 143 1HA GLY 20 HA2 GLY 20 64.411 -9.954 9.464 144 2HA GLY 20 HA3 GLY 20 65.305 -8.789 8.469 145 H ILE 21 H ILE 21 63.229 -6.713 9.010 146 HA ILE 21 HA ILE 21 63.842 -6.067 11.867 147 HB ILE 21 HB ILE 21 65.296 -4.911 10.107 148 1HG1 ILE 21 HG12 ILE 21 63.771 -3.248 12.157 149 2HG1 ILE 21 HG13 ILE 21 65.150 -4.295 12.480 150 1HG2 ILE 21 HG21 ILE 21 63.510 -4.322 8.500 151 2HG2 ILE 21 HG22 ILE 21 62.842 -3.166 9.674 152 3HG2 ILE 21 HG23 ILE 21 64.465 -2.937 8.996 153 1HD1 ILE 21 HD11 ILE 21 65.939 -2.031 12.405 154 2HD1 ILE 21 HD12 ILE 21 66.552 -2.861 10.961 155 3HD1 ILE 21 HD13 ILE 21 65.176 -1.734 10.837 156 H GLY 22 H GLY 22 61.496 -5.776 9.263 157 1HA GLY 22 HA2 GLY 22 59.542 -4.118 10.318 158 2HA GLY 22 HA3 GLY 22 59.238 -5.517 9.279 159 H ARG 23 H ARG 23 60.053 -7.549 11.093 160 HA ARG 23 HA ARG 23 57.762 -8.158 12.654 161 1HB ARG 23 HB2 ARG 23 60.694 -8.963 13.007 162 2HB ARG 23 HB3 ARG 23 59.391 -9.672 13.954 163 1HG ARG 23 HG2 ARG 23 59.481 -9.773 10.930 164 2HG ARG 23 HG3 ARG 23 60.182 -11.008 11.993 165 1HD ARG 23 HD2 ARG 23 57.972 -11.453 12.983 166 2HD ARG 23 HD3 ARG 23 57.255 -10.174 12.014 167 HE ARG 23 HE ARG 23 57.361 -11.478 10.081 168 1HH1 ARG 23 HH21 ARG 23 58.920 -13.324 12.649 169 2HH1 ARG 23 HH22 ARG 23 58.879 -14.787 11.693 170 1HH2 ARG 23 HH11 ARG 23 57.421 -13.414 8.955 171 2HH2 ARG 23 HH12 ARG 23 58.014 -14.850 9.764 172 H ALA 24 H ALA 24 60.684 -6.379 13.649 173 HA ALA 24 HA ALA 24 59.799 -6.516 16.403 174 1HB ALA 24 HB1 ALA 24 61.970 -5.364 16.870 175 2HB ALA 24 HB2 ALA 24 62.198 -6.757 15.796 176 3HB ALA 24 HB3 ALA 24 62.204 -5.108 15.128 177 H PHE 25 H PHE 25 59.402 -4.208 13.863 178 HA PHE 25 HA PHE 25 58.565 -2.087 15.708 179 1HB PHE 25 HB2 PHE 25 58.299 -2.288 12.679 180 2HB PHE 25 HB3 PHE 25 58.019 -0.841 13.638 181 HD1 PHE 25 HD1 PHE 25 60.175 -1.880 11.325 182 HD2 PHE 25 HD2 PHE 25 60.295 -0.642 15.459 183 HE1 PHE 25 HE1 PHE 25 62.526 -1.138 11.042 184 HE2 PHE 25 HE2 PHE 25 62.653 0.065 15.176 185 HZ PHE 25 HZ PHE 25 63.774 -0.180 12.968 186 H ASP 26 H ASP 26 57.216 -4.898 15.182 187 HA ASP 26 HA ASP 26 54.372 -3.984 15.022 188 1HB ASP 26 HB2 ASP 26 55.385 -5.212 13.040 189 2HB ASP 26 HB3 ASP 26 55.619 -6.602 14.098 190 H ASP 27 H ASP 27 56.369 -4.692 17.376 191 HA ASP 27 HA ASP 27 55.905 -7.129 18.498 192 1HB ASP 27 HB2 ASP 27 56.872 -6.297 20.479 193 2HB ASP 27 HB3 ASP 27 57.631 -5.486 19.117 194 H GLY 28 H GLY 28 53.468 -4.619 18.635 195 1HA GLY 28 HA2 GLY 28 51.927 -5.947 20.792 196 2HA GLY 28 HA3 GLY 28 51.478 -4.491 19.904 197 H VAL 29 H VAL 29 52.192 -6.331 17.406 198 HA VAL 29 HA VAL 29 49.702 -7.987 17.310 199 HB VAL 29 HB VAL 29 50.811 -6.758 14.795 200 1HG1 VAL 29 HG11 VAL 29 49.051 -8.520 14.656 201 2HG1 VAL 29 HG12 VAL 29 48.008 -7.559 15.712 202 3HG1 VAL 29 HG13 VAL 29 48.445 -6.966 14.089 203 1HG2 VAL 29 HG21 VAL 29 50.487 -4.774 16.157 204 2HG2 VAL 29 HG22 VAL 29 49.196 -4.893 14.967 205 3HG2 VAL 29 HG23 VAL 29 48.873 -5.341 16.662 206 H LYS 30 H LYS 30 53.085 -7.910 17.045 207 HA LYS 30 HA LYS 30 53.769 -10.085 15.487 208 1HB LYS 30 HB2 LYS 30 55.269 -8.520 16.702 209 2HB LYS 30 HB3 LYS 30 54.888 -9.349 18.221 210 1HG LYS 30 HG2 LYS 30 55.923 -11.424 17.325 211 2HG LYS 30 HG3 LYS 30 56.255 -10.591 15.789 212 1HD LYS 30 HD2 LYS 30 57.649 -8.930 17.001 213 2HD LYS 30 HD3 LYS 30 57.350 -9.762 18.526 214 1HE LYS 30 HE2 LYS 30 58.703 -11.029 16.096 215 2HE LYS 30 HE3 LYS 30 59.573 -10.242 17.416 216 1HZ LYS 30 HZ1 LYS 30 59.465 -12.620 17.786 217 2HZ LYS 30 HZ2 LYS 30 58.610 -11.871 18.952 218 3HZ LYS 30 HZ3 LYS 30 57.835 -12.634 17.727 219 H ASP 31 H ASP 31 52.006 -10.153 18.484 220 HA ASP 31 HA ASP 31 52.067 -12.901 19.182 221 1HB ASP 31 HB2 ASP 31 51.097 -11.020 20.515 222 2HB ASP 31 HB3 ASP 31 49.836 -10.812 19.300 223 H LEU 32 H LEU 32 50.108 -11.247 16.723 224 HA LEU 32 HA LEU 32 48.699 -13.698 15.888 225 1HB LEU 32 HB2 LEU 32 48.066 -11.046 15.873 226 2HB LEU 32 HB3 LEU 32 48.809 -11.132 14.298 227 HG LEU 32 HG LEU 32 46.375 -12.678 15.309 228 1HD1 LEU 32 HD11 LEU 32 45.199 -11.345 13.568 229 2HD1 LEU 32 HD12 LEU 32 45.972 -10.320 14.786 230 3HD1 LEU 32 HD13 LEU 32 46.725 -10.509 13.194 231 1HD2 LEU 32 HD21 LEU 32 46.104 -13.443 12.924 232 2HD2 LEU 32 HD22 LEU 32 47.761 -12.881 12.616 233 3HD2 LEU 32 HD23 LEU 32 47.456 -14.189 13.774 234 H ASN 33 H ASN 33 51.419 -11.667 14.859 235 HA ASN 33 HA ASN 33 51.946 -13.073 12.399 236 1HB ASN 33 HB2 ASN 33 52.921 -10.786 13.318 237 2HB ASN 33 HB3 ASN 33 54.191 -11.819 13.989 238 1HD2 ASN 33 HD22 ASN 33 54.479 -13.739 11.860 239 2HD2 ASN 33 HD21 ASN 33 54.989 -12.845 10.436 240 H LYS 34 H LYS 34 52.910 -13.758 15.734 241 HA LYS 34 HA LYS 34 54.648 -15.986 15.206 242 1HB LYS 34 HB2 LYS 34 54.559 -14.722 17.333 243 2HB LYS 34 HB3 LYS 34 52.936 -15.346 17.649 244 1HG LYS 34 HG2 LYS 34 53.834 -17.655 17.749 245 2HG LYS 34 HG3 LYS 34 55.457 -17.045 17.362 246 1HD LYS 34 HD2 LYS 34 55.443 -15.702 19.454 247 2HD LYS 34 HD3 LYS 34 53.811 -16.302 19.826 248 1HE LYS 34 HE2 LYS 34 54.695 -18.638 19.834 249 2HE LYS 34 HE3 LYS 34 56.319 -18.017 19.511 250 1HZ LYS 34 HZ1 LYS 34 55.985 -18.414 21.881 251 2HZ LYS 34 HZ2 LYS 34 56.201 -16.816 21.638 252 3HZ LYS 34 HZ3 LYS 34 54.705 -17.405 21.934 253 H GLN 35 H GLN 35 51.154 -15.821 15.813 254 HA GLN 35 HA GLN 35 50.599 -18.639 15.593 255 1HB GLN 35 HB2 GLN 35 48.872 -16.204 14.943 256 2HB GLN 35 HB3 GLN 35 48.273 -17.859 14.975 257 1HG GLN 35 HG2 GLN 35 48.663 -18.078 17.309 258 2HG GLN 35 HG3 GLN 35 49.641 -16.625 17.396 259 1HE2 GLN 35 HE22 GLN 35 48.619 -14.757 18.030 260 2HE2 GLN 35 HE21 GLN 35 46.869 -14.578 18.106 261 H LEU 36 H LEU 36 50.735 -16.074 13.134 262 HA LEU 36 HA LEU 36 50.116 -17.803 10.904 263 1HB LEU 36 HB2 LEU 36 49.741 -15.368 11.039 264 2HB LEU 36 HB3 LEU 36 51.487 -15.131 10.894 265 HG LEU 36 HG LEU 36 51.487 -16.239 8.694 266 1HD1 LEU 36 HD11 LEU 36 48.486 -16.545 9.043 267 2HD1 LEU 36 HD12 LEU 36 49.338 -16.662 7.510 268 3HD1 LEU 36 HD13 LEU 36 49.650 -17.859 8.783 269 1HD2 LEU 36 HD21 LEU 36 50.195 -14.452 7.564 270 2HD2 LEU 36 HD22 LEU 36 49.224 -14.260 9.023 271 3HD2 LEU 36 HD23 LEU 36 50.943 -13.799 9.023 272 H GLN 37 H GLN 37 53.235 -16.693 12.254 273 HA GLN 37 HA GLN 37 54.862 -18.048 10.314 274 1HB GLN 37 HB2 GLN 37 55.668 -16.207 11.776 275 2HB GLN 37 HB3 GLN 37 55.388 -17.199 13.205 276 1HG GLN 37 HG2 GLN 37 57.738 -17.151 12.747 277 2HG GLN 37 HG3 GLN 37 57.165 -18.782 12.451 278 1HE2 GLN 37 HE22 GLN 37 57.314 -19.617 10.292 279 2HE2 GLN 37 HE21 GLN 37 58.306 -18.767 9.111 280 H ASP 38 H ASP 38 53.393 -19.143 13.375 281 HA ASP 38 HA ASP 38 54.537 -21.784 13.320 282 1HB ASP 38 HB2 ASP 38 53.484 -20.788 15.321 283 2HB ASP 38 HB3 ASP 38 51.911 -20.852 14.526 284 H ALA 39 H ALA 39 51.562 -20.426 11.860 285 HA ALA 39 HA ALA 39 50.709 -22.841 10.606 286 1HB ALA 39 HB1 ALA 39 49.192 -21.588 9.444 287 2HB ALA 39 HB2 ALA 39 49.635 -20.295 10.630 288 3HB ALA 39 HB3 ALA 39 50.350 -20.317 9.021 289 H GLN 40 H GLN 40 52.889 -20.303 9.494 290 HA GLN 40 HA GLN 40 53.526 -21.447 6.960 291 1HB GLN 40 HB2 GLN 40 53.812 -19.000 7.866 292 2HB GLN 40 HB3 GLN 40 55.270 -19.582 8.643 293 1HG GLN 40 HG2 GLN 40 56.324 -20.096 6.539 294 2HG GLN 40 HG3 GLN 40 54.807 -19.884 5.653 295 1HE2 GLN 40 HE22 GLN 40 56.641 -17.828 8.070 296 2HE2 GLN 40 HE21 GLN 40 56.609 -16.420 7.018 297 H ALA 41 H ALA 41 54.905 -22.071 10.162 298 HA ALA 41 HA ALA 41 57.050 -23.759 9.038 299 1HB ALA 41 HB1 ALA 41 57.412 -22.519 11.111 300 2HB ALA 41 HB2 ALA 41 56.124 -23.471 11.907 301 3HB ALA 41 HB3 ALA 41 57.606 -24.270 11.307 302 H ASN 42 H ASN 42 53.778 -24.436 10.363 303 HA ASN 42 HA ASN 42 54.155 -27.311 10.015 304 1HB ASN 42 HB2 ASN 42 51.569 -25.628 10.121 305 2HB ASN 42 HB3 ASN 42 51.640 -27.340 9.881 306 1HD2 ASN 42 HD22 ASN 42 52.539 -24.835 12.297 307 2HD2 ASN 42 HD21 ASN 42 52.434 -25.962 13.637 308 H LEU 43 H LEU 43 53.193 -24.596 7.933 309 HA LEU 43 HA LEU 43 52.955 -26.187 5.588 310 1HB LEU 43 HB2 LEU 43 52.184 -23.652 6.192 311 2HB LEU 43 HB3 LEU 43 53.754 -23.273 5.510 312 HG LEU 43 HG LEU 43 53.176 -24.566 3.498 313 1HD1 LEU 43 HD11 LEU 43 50.578 -24.627 5.074 314 2HD1 LEU 43 HD12 LEU 43 50.587 -24.833 3.282 315 3HD1 LEU 43 HD13 LEU 43 51.403 -26.011 4.273 316 1HD2 LEU 43 HD21 LEU 43 51.206 -22.346 4.092 317 2HD2 LEU 43 HD22 LEU 43 52.876 -22.127 3.479 318 3HD2 LEU 43 HD23 LEU 43 51.668 -22.985 2.493 319 H THR 44 H THR 44 55.773 -24.557 7.066 320 HA THR 44 HA THR 44 57.498 -25.040 4.875 321 HB THR 44 HB THR 44 58.164 -24.894 7.827 322 HG1 THR 44 HG1 THR 44 57.391 -23.000 6.718 323 1HG2 THR 44 HG21 THR 44 59.936 -25.161 5.412 324 2HG2 THR 44 HG22 THR 44 60.491 -24.446 6.973 325 3HG2 THR 44 HG23 THR 44 59.919 -26.128 6.914 326 H LYS 45 H LYS 45 56.599 -27.104 7.585 327 HA LYS 45 HA LYS 45 58.262 -29.379 6.972 328 1HB LYS 45 HB2 LYS 45 55.632 -29.025 8.434 329 2HB LYS 45 HB3 LYS 45 56.475 -30.580 8.328 330 1HG LYS 45 HG2 LYS 45 58.411 -29.666 9.502 331 2HG LYS 45 HG3 LYS 45 57.701 -28.050 9.494 332 1HD LYS 45 HD2 LYS 45 57.482 -29.060 11.687 333 2HD LYS 45 HD3 LYS 45 55.895 -28.758 10.969 334 1HE LYS 45 HE2 LYS 45 55.678 -31.132 10.358 335 2HE LYS 45 HE3 LYS 45 57.316 -31.460 10.940 336 1HZ LYS 45 HZ1 LYS 45 56.575 -30.870 13.178 337 2HZ LYS 45 HZ2 LYS 45 55.066 -30.526 12.649 338 3HZ LYS 45 HZ3 LYS 45 55.626 -32.057 12.591 339 H ASN 46 H ASN 46 55.101 -28.459 5.658 340 HA ASN 46 HA ASN 46 55.682 -30.069 3.334 341 1HB ASN 46 HB2 ASN 46 54.537 -31.615 4.872 342 2HB ASN 46 HB3 ASN 46 53.198 -30.490 4.909 343 1HD2 ASN 46 HD22 ASN 46 53.059 -33.276 4.021 344 2HD2 ASN 46 HD21 ASN 46 52.792 -33.297 2.285 345 HA PRO 47 HA PRO 47 54.571 -25.788 2.408 346 1HB PRO 47 HB2 PRO 47 55.460 -26.840 -0.244 347 2HB PRO 47 HB3 PRO 47 55.657 -25.191 0.483 348 1HG PRO 47 HG2 PRO 47 57.674 -27.025 0.645 349 2HG PRO 47 HG3 PRO 47 57.258 -25.980 2.042 350 1HD PRO 47 HD2 PRO 47 56.701 -28.883 1.672 351 2HD PRO 47 HD3 PRO 47 56.899 -27.940 3.147 352 H SER 48 H SER 48 53.109 -28.468 0.446 353 HA SER 48 HA SER 48 50.696 -26.846 0.603 354 1HB SER 48 HB2 SER 48 50.141 -27.533 -1.589 355 2HB SER 48 HB3 SER 48 51.788 -26.876 -1.570 356 HG SER 48 HG SER 48 51.611 -28.848 -2.811 357 H ASP 49 H ASP 49 51.477 -28.736 2.539 358 HA ASP 49 HA ASP 49 49.612 -30.980 2.441 359 1HB ASP 49 HB2 ASP 49 51.249 -31.151 4.044 360 2HB ASP 49 HB3 ASP 49 51.100 -29.565 4.683 361 HA PRO 50 HA PRO 50 46.304 -28.181 2.125 362 1HB PRO 50 HB2 PRO 50 44.148 -29.802 2.425 363 2HB PRO 50 HB3 PRO 50 45.228 -29.740 0.969 364 1HG PRO 50 HG2 PRO 50 45.234 -31.705 3.303 365 2HG PRO 50 HG3 PRO 50 45.372 -32.084 1.555 366 1HD PRO 50 HD2 PRO 50 47.551 -31.857 3.257 367 2HD PRO 50 HD3 PRO 50 47.633 -31.420 1.516 368 H THR 51 H THR 51 46.507 -30.017 5.146 369 HA THR 51 HA THR 51 44.537 -28.243 6.546 370 HB THR 51 HB THR 51 46.425 -30.411 7.373 371 HG1 THR 51 HG1 THR 51 44.438 -31.045 6.505 372 1HG2 THR 51 HG21 THR 51 46.546 -28.890 9.216 373 2HG2 THR 51 HG22 THR 51 44.783 -28.604 9.143 374 3HG2 THR 51 HG23 THR 51 45.423 -30.186 9.674 375 H ALA 52 H ALA 52 48.115 -28.682 6.309 376 HA ALA 52 HA ALA 52 48.798 -26.385 7.923 377 1HB ALA 52 HB1 ALA 52 50.383 -28.228 7.076 378 2HB ALA 52 HB2 ALA 52 50.140 -27.632 5.440 379 3HB ALA 52 HB3 ALA 52 50.930 -26.590 6.637 380 H LEU 53 H LEU 53 48.031 -26.625 4.495 381 HA LEU 53 HA LEU 53 48.408 -23.813 4.115 382 1HB LEU 53 HB2 LEU 53 48.760 -25.768 2.576 383 2HB LEU 53 HB3 LEU 53 47.030 -25.848 2.302 384 HG LEU 53 HG LEU 53 47.094 -24.048 0.846 385 1HD1 LEU 53 HD11 LEU 53 47.821 -22.282 2.330 386 2HD1 LEU 53 HD12 LEU 53 49.465 -22.971 2.380 387 3HD1 LEU 53 HD13 LEU 53 48.845 -22.266 0.872 388 1HD2 LEU 53 HD21 LEU 53 48.756 -25.822 0.189 389 2HD2 LEU 53 HD22 LEU 53 49.147 -24.216 -0.482 390 3HD2 LEU 53 HD23 LEU 53 50.051 -24.801 0.939 391 H ALA 54 H ALA 54 45.494 -25.848 4.634 392 HA ALA 54 HA ALA 54 43.562 -23.772 4.475 393 1HB ALA 54 HB1 ALA 54 43.726 -26.333 6.174 394 2HB ALA 54 HB2 ALA 54 42.271 -25.316 6.057 395 3HB ALA 54 HB3 ALA 54 42.891 -26.132 4.616 396 H ASN 55 H ASN 55 45.611 -24.893 7.151 397 HA ASN 55 HA ASN 55 44.585 -23.213 9.175 398 1HB ASN 55 HB2 ASN 55 45.902 -25.222 9.651 399 2HB ASN 55 HB3 ASN 55 47.249 -24.624 8.709 400 1HD2 ASN 55 HD21 ASN 55 48.899 -24.061 9.842 401 2HD2 ASN 55 HD22 ASN 55 48.810 -23.411 11.490 402 H TYR 56 H TYR 56 47.584 -22.930 7.255 403 HA TYR 56 HA TYR 56 48.209 -20.220 7.898 404 1HB TYR 56 HB2 TYR 56 49.812 -21.596 6.862 405 2HB TYR 56 HB3 TYR 56 48.752 -22.011 5.521 406 HD1 TYR 56 HD1 TYR 56 48.358 -20.339 3.690 407 HD2 TYR 56 HD2 TYR 56 51.362 -19.836 6.749 408 HE1 TYR 56 HE1 TYR 56 49.712 -18.959 2.131 409 HE2 TYR 56 HE2 TYR 56 52.722 -18.467 5.179 410 HH TYR 56 HH TYR 56 51.684 -17.836 1.805 411 H GLN 57 H GLN 57 46.000 -21.309 5.281 412 HA GLN 57 HA GLN 57 45.486 -18.606 4.434 413 1HB GLN 57 HB2 GLN 57 43.931 -21.195 4.123 414 2HB GLN 57 HB3 GLN 57 43.303 -19.668 3.513 415 1HG GLN 57 HG2 GLN 57 46.055 -20.696 2.712 416 2HG GLN 57 HG3 GLN 57 44.583 -21.123 1.847 417 1HE2 GLN 57 HE22 GLN 57 43.522 -19.497 0.542 418 2HE2 GLN 57 HE21 GLN 57 44.319 -17.965 0.211 419 H MET 58 H MET 58 43.842 -20.640 6.884 420 HA MET 58 HA MET 58 41.755 -18.771 7.488 421 1HB MET 58 HB2 MET 58 41.715 -21.188 7.968 422 2HB MET 58 HB3 MET 58 43.009 -21.010 9.151 423 1HG MET 58 HG2 MET 58 40.336 -19.602 9.344 424 2HG MET 58 HG3 MET 58 40.595 -21.215 9.984 425 1HE MET 58 HE1 MET 58 41.750 -21.821 12.206 426 2HE MET 58 HE2 MET 58 43.281 -21.347 11.434 427 3HE MET 58 HE3 MET 58 42.880 -20.744 13.056 428 H ILE 59 H ILE 59 44.945 -19.309 9.082 429 HA ILE 59 HA ILE 59 44.587 -17.188 10.989 430 HB ILE 59 HB ILE 59 47.009 -18.701 9.942 431 1HG1 ILE 59 HG12 ILE 59 45.420 -19.028 12.548 432 2HG1 ILE 59 HG13 ILE 59 45.295 -20.106 11.162 433 1HG2 ILE 59 HG21 ILE 59 46.838 -17.081 12.504 434 2HG2 ILE 59 HG22 ILE 59 48.249 -17.909 11.778 435 3HG2 ILE 59 HG23 ILE 59 47.585 -16.471 11.021 436 1HD1 ILE 59 HD11 ILE 59 46.750 -21.113 12.781 437 2HD1 ILE 59 HD12 ILE 59 47.678 -20.648 11.330 438 3HD1 ILE 59 HD13 ILE 59 47.795 -19.693 12.830 439 H MET 60 H MET 60 46.037 -17.369 7.713 440 HA MET 60 HA MET 60 47.014 -14.705 7.736 441 1HB MET 60 HB2 MET 60 47.656 -16.557 6.135 442 2HB MET 60 HB3 MET 60 46.184 -16.188 5.230 443 1HG MET 60 HG2 MET 60 47.027 -13.877 4.924 444 2HG MET 60 HG3 MET 60 48.360 -14.229 6.052 445 1HE MET 60 HE1 MET 60 50.968 -16.095 4.283 446 2HE MET 60 HE2 MET 60 50.331 -15.290 5.722 447 3HE MET 60 HE3 MET 60 49.728 -16.909 5.274 448 H SER 61 H SER 61 43.843 -16.034 6.860 449 HA SER 61 HA SER 61 42.626 -13.645 5.890 450 1HB SER 61 HB2 SER 61 41.628 -15.938 5.793 451 2HB SER 61 HB3 SER 61 41.314 -15.856 7.529 452 HG SER 61 HG SER 61 39.509 -15.195 6.234 453 H GLU 62 H GLU 62 42.820 -14.917 9.278 454 HA GLU 62 HA GLU 62 41.711 -12.568 10.492 455 1HB GLU 62 HB2 GLU 62 43.561 -14.733 11.605 456 2HB GLU 62 HB3 GLU 62 42.854 -13.432 12.574 457 1HG GLU 62 HG2 GLU 62 40.565 -14.198 11.743 458 2HG GLU 62 HG3 GLU 62 41.362 -15.639 11.110 459 H TYR 63 H TYR 63 45.106 -13.424 9.875 460 HA TYR 63 HA TYR 63 46.349 -11.182 11.079 461 1HB TYR 63 HB2 TYR 63 47.537 -13.182 10.356 462 2HB TYR 63 HB3 TYR 63 47.121 -12.897 8.684 463 HD1 TYR 63 HD1 TYR 63 48.272 -11.388 7.268 464 HD2 TYR 63 HD2 TYR 63 49.374 -11.858 11.413 465 HE1 TYR 63 HE1 TYR 63 50.523 -10.469 6.771 466 HE2 TYR 63 HE2 TYR 63 51.623 -10.921 10.910 467 HH TYR 63 HH TYR 63 53.036 -10.120 9.320 468 H ASN 64 H ASN 64 45.213 -11.586 7.735 469 HA ASN 64 HA ASN 64 46.197 -8.996 6.931 470 1HB ASN 64 HB2 ASN 64 46.054 -10.953 5.401 471 2HB ASN 64 HB3 ASN 64 44.297 -10.950 5.541 472 1HD2 ASN 64 HD22 ASN 64 47.080 -9.332 4.092 473 2HD2 ASN 64 HD21 ASN 64 46.123 -8.314 3.027 474 H LEU 65 H LEU 65 42.960 -10.268 7.754 475 HA LEU 65 HA LEU 65 41.414 -7.972 7.142 476 1HB LEU 65 HB2 LEU 65 40.550 -10.203 7.554 477 2HB LEU 65 HB3 LEU 65 40.947 -10.083 9.261 478 HG LEU 65 HG LEU 65 38.563 -9.768 8.528 479 1HD1 LEU 65 HD11 LEU 65 39.372 -9.060 10.777 480 2HD1 LEU 65 HD12 LEU 65 39.582 -7.410 10.146 481 3HD1 LEU 65 HD13 LEU 65 37.977 -8.146 10.185 482 1HD2 LEU 65 HD21 LEU 65 37.744 -7.662 7.725 483 2HD2 LEU 65 HD22 LEU 65 39.377 -6.975 7.685 484 3HD2 LEU 65 HD23 LEU 65 38.937 -8.303 6.583 485 H TYR 66 H TYR 66 42.979 -8.870 10.232 486 HA TYR 66 HA TYR 66 42.176 -6.565 11.698 487 1HB TYR 66 HB2 TYR 66 43.093 -8.641 12.686 488 2HB TYR 66 HB3 TYR 66 44.674 -8.280 12.005 489 HD1 TYR 66 HD1 TYR 66 42.120 -7.223 14.494 490 HD2 TYR 66 HD2 TYR 66 46.139 -6.627 13.039 491 HE1 TYR 66 HE1 TYR 66 42.654 -5.858 16.514 492 HE2 TYR 66 HE2 TYR 66 46.663 -5.253 15.047 493 HH TYR 66 HH TYR 66 45.885 -4.392 17.025 494 H ARG 67 H ARG 67 45.117 -7.111 9.772 495 HA ARG 67 HA ARG 67 46.291 -4.514 10.246 496 1HB ARG 67 HB2 ARG 67 46.759 -6.620 8.105 497 2HB ARG 67 HB3 ARG 67 47.706 -5.124 8.230 498 1HG ARG 67 HG2 ARG 67 48.399 -5.668 10.506 499 2HG ARG 67 HG3 ARG 67 47.379 -7.105 10.529 500 1HD ARG 67 HD2 ARG 67 48.723 -8.029 8.611 501 2HD ARG 67 HD3 ARG 67 49.841 -6.671 8.793 502 HE ARG 67 HE ARG 67 49.587 -9.036 10.468 503 1HH1 ARG 67 HH21 ARG 67 50.778 -5.725 10.564 504 2HH1 ARG 67 HH22 ARG 67 51.685 -6.018 12.038 505 1HH2 ARG 67 HH11 ARG 67 50.773 -9.279 12.361 506 2HH2 ARG 67 HH12 ARG 67 51.842 -7.977 12.856 507 H ASN 68 H ASN 68 44.264 -5.699 7.559 508 HA ASN 68 HA ASN 68 44.077 -3.231 6.130 509 1HB ASN 68 HB2 ASN 68 43.406 -5.452 5.232 510 2HB ASN 68 HB3 ASN 68 42.092 -5.530 6.405 511 1HD2 ASN 68 HD22 ASN 68 43.287 -3.761 3.535 512 2HD2 ASN 68 HD21 ASN 68 41.704 -3.133 3.103 513 H ALA 69 H ALA 69 42.092 -4.427 8.836 514 HA ALA 69 HA ALA 69 40.375 -2.178 8.772 515 1HB ALA 69 HB1 ALA 69 39.661 -2.966 11.034 516 2HB ALA 69 HB2 ALA 69 39.783 -4.305 9.876 517 3HB ALA 69 HB3 ALA 69 41.061 -4.061 11.087 518 H GLN 70 H GLN 70 43.366 -2.717 10.713 519 HA GLN 70 HA GLN 70 43.298 -0.212 12.084 520 1HB GLN 70 HB2 GLN 70 44.741 -2.122 12.717 521 2HB GLN 70 HB3 GLN 70 45.683 -1.915 11.242 522 1HG GLN 70 HG2 GLN 70 46.867 -0.951 13.148 523 2HG GLN 70 HG3 GLN 70 46.446 0.304 11.996 524 1HE2 GLN 70 HE22 GLN 70 46.620 1.968 13.642 525 2HE2 GLN 70 HE21 GLN 70 45.398 2.103 14.897 526 H SER 71 H SER 71 44.957 -1.072 8.977 527 HA SER 71 HA SER 71 45.879 1.561 8.394 528 1HB SER 71 HB2 SER 71 45.193 -0.762 6.556 529 2HB SER 71 HB3 SER 71 46.007 0.727 6.034 530 HG SER 71 HG SER 71 47.495 -0.950 6.578 531 H SER 72 H SER 72 42.665 0.133 7.856 532 HA SER 72 HA SER 72 41.664 2.343 6.241 533 1HB SER 72 HB2 SER 72 40.158 0.316 7.941 534 2HB SER 72 HB3 SER 72 39.437 1.463 6.799 535 HG SER 72 HG SER 72 41.239 -0.669 6.248 536 H ALA 73 H ALA 73 41.375 1.548 9.767 537 HA ALA 73 HA ALA 73 39.925 3.843 10.511 538 1HB ALA 73 HB1 ALA 73 40.253 1.840 11.922 539 2HB ALA 73 HB2 ALA 73 41.968 2.260 12.129 540 3HB ALA 73 HB3 ALA 73 40.705 3.323 12.785 541 H VAL 74 H VAL 74 43.458 3.453 10.255 542 HA VAL 74 HA VAL 74 44.279 5.991 11.205 543 HB VAL 74 HB VAL 74 45.402 3.845 9.386 544 1HG1 VAL 74 HG11 VAL 74 46.851 6.404 10.103 545 2HG1 VAL 74 HG12 VAL 74 47.609 4.923 9.458 546 3HG1 VAL 74 HG13 VAL 74 46.438 5.801 8.472 547 1HG2 VAL 74 HG21 VAL 74 46.929 3.477 11.250 548 2HG2 VAL 74 HG22 VAL 74 46.315 4.917 12.093 549 3HG2 VAL 74 HG23 VAL 74 45.273 3.500 11.874 550 H LYS 75 H LYS 75 42.893 5.140 8.060 551 HA LYS 75 HA LYS 75 43.481 7.872 6.993 552 1HB LYS 75 HB2 LYS 75 42.194 5.417 5.734 553 2HB LYS 75 HB3 LYS 75 42.326 6.998 4.947 554 1HG LYS 75 HG2 LYS 75 44.821 6.913 5.282 555 2HG LYS 75 HG3 LYS 75 44.658 5.257 5.861 556 1HD LYS 75 HD2 LYS 75 43.845 6.307 3.113 557 2HD LYS 75 HD3 LYS 75 45.308 5.396 3.455 558 1HE LYS 75 HE2 LYS 75 42.469 4.328 3.835 559 2HE LYS 75 HE3 LYS 75 43.456 4.067 2.398 560 1HZ LYS 75 HZ1 LYS 75 43.646 2.197 3.904 561 2HZ LYS 75 HZ2 LYS 75 45.097 2.934 3.788 562 3HZ LYS 75 HZ3 LYS 75 44.178 3.145 5.132 563 H SER 76 H SER 76 40.663 5.899 7.985 564 HA SER 76 HA SER 76 38.694 7.865 7.338 565 1HB SER 76 HB2 SER 76 38.612 5.587 9.351 566 2HB SER 76 HB3 SER 76 37.207 6.529 8.811 567 HG SER 76 HG SER 76 37.438 4.607 7.594 568 H MET 77 H MET 77 40.760 7.654 10.187 569 HA MET 77 HA MET 77 39.286 8.954 12.103 570 1HB MET 77 HB2 MET 77 41.374 9.521 13.178 571 2HB MET 77 HB3 MET 77 41.478 7.930 12.439 572 1HG MET 77 HG2 MET 77 43.516 8.809 11.895 573 2HG MET 77 HG3 MET 77 42.602 9.142 10.430 574 1HE MET 77 HE1 MET 77 45.109 12.122 10.578 575 2HE MET 77 HE2 MET 77 45.383 10.418 11.009 576 3HE MET 77 HE3 MET 77 44.409 10.829 9.578 577 H LYS 78 H LYS 78 40.754 10.602 9.335 578 HA LYS 78 HA LYS 78 40.429 13.286 10.319 579 1HB LYS 78 HB2 LYS 78 40.956 13.992 8.097 580 2HB LYS 78 HB3 LYS 78 41.963 12.604 8.502 581 1HG LYS 78 HG2 LYS 78 40.211 11.171 7.235 582 2HG LYS 78 HG3 LYS 78 39.548 12.699 6.647 583 1HD LYS 78 HD2 LYS 78 41.726 13.270 5.612 584 2HD LYS 78 HD3 LYS 78 42.450 11.817 6.312 585 1HE LYS 78 HE2 LYS 78 42.015 11.317 4.032 586 2HE LYS 78 HE3 LYS 78 40.870 10.396 5.012 587 1HZ LYS 78 HZ1 LYS 78 39.173 12.071 4.467 588 2HZ LYS 78 HZ2 LYS 78 40.249 12.939 3.591 589 3HZ LYS 78 HZ3 LYS 78 39.797 11.454 3.093 590 H ASP 79 H ASP 79 38.090 11.092 8.911 591 HA ASP 79 HA ASP 79 36.122 13.120 8.217 592 1HB ASP 79 HB2 ASP 79 36.202 10.803 7.268 593 2HB ASP 79 HB3 ASP 79 35.746 10.168 8.851 594 H ILE 80 H ILE 80 36.964 11.345 11.163 595 HA ILE 80 HA ILE 80 34.658 12.190 12.720 596 HB ILE 80 HB ILE 80 37.376 11.296 13.745 597 1HG1 ILE 80 HG12 ILE 80 36.662 9.539 12.246 598 2HG1 ILE 80 HG13 ILE 80 36.494 9.010 13.904 599 1HG2 ILE 80 HG21 ILE 80 36.018 12.265 15.494 600 2HG2 ILE 80 HG22 ILE 80 34.611 11.297 15.018 601 3HG2 ILE 80 HG23 ILE 80 36.048 10.514 15.712 602 1HD1 ILE 80 HD11 ILE 80 34.196 9.935 12.117 603 2HD1 ILE 80 HD12 ILE 80 34.602 8.263 12.535 604 3HD1 ILE 80 HD13 ILE 80 34.038 9.368 13.797 605 H ASP 81 H ASP 81 37.969 13.413 12.272 606 HA ASP 81 HA ASP 81 37.757 15.647 14.072 607 1HB ASP 81 HB2 ASP 81 39.890 14.720 13.204 608 2HB ASP 81 HB3 ASP 81 39.485 15.305 11.591 609 H SER 82 H SER 82 36.891 15.283 10.660 610 HA SER 82 HA SER 82 36.414 17.993 9.996 611 1HB SER 82 HB2 SER 82 35.088 15.487 8.896 612 2HB SER 82 HB3 SER 82 34.975 17.100 8.178 613 HG SER 82 HG SER 82 37.360 15.582 8.582 614 H SER 83 H SER 83 34.433 15.994 12.065 615 HA SER 83 HA SER 83 31.918 17.300 11.759 616 1HB SER 83 HB2 SER 83 33.148 16.020 14.230 617 2HB SER 83 HB3 SER 83 31.436 16.427 14.023 618 HG SER 83 HG SER 83 31.332 14.965 12.283 619 H ILE 84 H ILE 84 34.834 18.634 13.077 620 HA ILE 84 HA ILE 84 33.739 20.477 14.939 621 HB ILE 84 HB ILE 84 36.154 19.821 14.620 622 1HG1 ILE 84 HG12 ILE 84 37.159 21.960 15.225 623 2HG1 ILE 84 HG13 ILE 84 35.714 22.833 14.730 624 1HG2 ILE 84 HG21 ILE 84 36.192 21.922 12.406 625 2HG2 ILE 84 HG22 ILE 84 37.555 20.975 13.023 626 3HG2 ILE 84 HG23 ILE 84 36.260 20.167 12.136 627 1HD1 ILE 84 HD11 ILE 84 35.802 20.740 16.954 628 2HD1 ILE 84 HD12 ILE 84 35.907 22.495 17.200 629 3HD1 ILE 84 HD13 ILE 84 34.423 21.792 16.545 630 H LEU 85 H LEU 85 33.511 20.489 11.502 631 HA LEU 85 HA LEU 85 33.231 23.321 11.047 632 1HB LEU 85 HB2 LEU 85 32.502 20.896 9.354 633 2HB LEU 85 HB3 LEU 85 32.574 22.551 8.759 634 HG LEU 85 HG LEU 85 34.969 21.001 9.839 635 1HD1 LEU 85 HD11 LEU 85 34.131 20.125 7.694 636 2HD1 LEU 85 HD12 LEU 85 34.194 21.759 6.994 637 3HD1 LEU 85 HD13 LEU 85 35.690 20.940 7.498 638 1HD2 LEU 85 HD21 LEU 85 36.287 22.858 8.835 639 2HD2 LEU 85 HD22 LEU 85 34.777 23.740 8.514 640 3HD2 LEU 85 HD23 LEU 85 35.289 23.401 10.185 641 H GLU 86 H GLU 86 31.241 22.021 13.006 642 HA GLU 86 HA GLU 86 28.613 22.039 11.942 643 1HB GLU 86 HB2 GLU 86 29.368 21.079 14.127 644 2HB GLU 86 HB3 GLU 86 29.572 22.709 14.753 645 1HG GLU 86 HG2 GLU 86 27.501 21.758 15.567 646 2HG GLU 86 HG3 GLU 86 27.154 23.134 14.537 647 H HIS 87 H HIS 87 30.578 24.777 13.115 648 HA HIS 87 HA HIS 87 28.658 26.703 11.976 649 1HB HIS 87 HB2 HIS 87 27.832 26.301 14.285 650 2HB HIS 87 HB3 HIS 87 29.422 26.706 14.929 651 HD1 HIS 87 HD1 HIS 87 26.531 28.455 12.998 652 HD2 HIS 87 HD2 HIS 87 29.850 29.241 15.467 653 HE1 HIS 87 HE1 HIS 87 26.460 30.951 13.521 654 H HIS 88 H HIS 88 29.520 28.780 11.650 655 HA HIS 88 HA HIS 88 32.199 29.499 12.545 656 1HB HIS 88 HB2 HIS 88 32.735 28.209 10.518 657 2HB HIS 88 HB3 HIS 88 31.592 29.165 9.576 658 HD1 HIS 88 HD1 HIS 88 32.434 31.605 8.809 659 HD2 HIS 88 HD2 HIS 88 35.075 29.416 11.251 660 HE1 HIS 88 HE1 HIS 88 34.654 32.860 8.764 661 H HIS 89 H HIS 89 32.225 31.610 12.974 662 HA HIS 89 HA HIS 89 30.832 33.621 11.375 663 1HB HIS 89 HB2 HIS 89 29.102 32.740 12.988 664 2HB HIS 89 HB3 HIS 89 30.128 33.249 14.322 665 HD1 HIS 89 HD1 HIS 89 29.277 35.523 15.264 666 HD2 HIS 89 HD2 HIS 89 28.658 35.030 11.125 667 HE1 HIS 89 HE1 HIS 89 28.189 37.676 14.443 668 H HIS 90 H HIS 90 31.116 35.792 12.995 669 HA HIS 90 HA HIS 90 33.783 36.573 12.713 670 1HB HIS 90 HB2 HIS 90 31.527 37.870 12.878 671 2HB HIS 90 HB3 HIS 90 31.814 37.880 14.612 672 HD1 HIS 90 HD1 HIS 90 34.278 39.200 15.277 673 HD2 HIS 90 HD2 HIS 90 32.638 39.704 11.438 674 HE1 HIS 90 HE1 HIS 90 35.346 41.312 14.319 675 H HIS 91 H HIS 91 32.692 34.548 15.221 676 HA HIS 91 HA HIS 91 34.313 35.317 17.434 677 1HB HIS 91 HB2 HIS 91 34.056 32.983 18.142 678 2HB HIS 91 HB3 HIS 91 32.532 33.694 17.638 679 HD1 HIS 91 HD1 HIS 91 35.241 31.381 15.934 680 HD2 HIS 91 HD2 HIS 91 31.091 32.135 16.160 681 HE1 HIS 91 HE1 HIS 91 34.110 29.613 14.517 682 H HIS 92 H HIS 92 35.210 33.842 14.401 683 HA HIS 92 HA HIS 92 37.017 32.741 13.607 684 1HB HIS 92 HB2 HIS 92 37.643 35.183 13.684 685 2HB HIS 92 HB3 HIS 92 38.587 34.842 15.129 686 HD1 HIS 92 HD1 HIS 92 40.361 32.572 14.511 687 HD2 HIS 92 HD2 HIS 92 39.108 35.258 11.545 688 HE1 HIS 92 HE1 HIS 92 42.113 32.418 12.618 Start of MODEL 16 1 1H MET 1 H1 MET 1 24.125 -10.205 10.749 2 2H MET 1 H2 MET 1 25.416 -10.449 11.727 3 3H MET 1 H3 MET 1 24.525 -11.721 11.216 4 HA MET 1 HA MET 1 24.002 -11.251 13.498 5 1HB MET 1 HB2 MET 1 24.624 -8.843 13.388 6 2HB MET 1 HB3 MET 1 23.155 -8.506 12.469 7 1HG MET 1 HG2 MET 1 22.907 -7.930 14.827 8 2HG MET 1 HG3 MET 1 21.775 -9.201 14.380 9 1HE MET 1 HE1 MET 1 22.693 -8.221 17.396 10 2HE MET 1 HE2 MET 1 21.380 -9.366 17.036 11 3HE MET 1 HE3 MET 1 22.649 -9.807 18.200 12 H SER 2 H SER 2 22.183 -12.292 14.015 13 HA SER 2 HA SER 2 19.598 -11.784 12.756 14 1HB SER 2 HB2 SER 2 20.650 -13.267 11.057 15 2HB SER 2 HB3 SER 2 20.931 -14.492 12.307 16 HG SER 2 HG SER 2 18.999 -14.857 11.090 17 H ASN 3 H ASN 3 21.548 -14.059 14.701 18 HA ASN 3 HA ASN 3 19.575 -14.951 16.542 19 1HB ASN 3 HB2 ASN 3 21.592 -15.495 17.923 20 2HB ASN 3 HB3 ASN 3 21.766 -16.017 16.255 21 1HD2 ASN 3 HD22 ASN 3 22.978 -13.748 18.720 22 2HD2 ASN 3 HD21 ASN 3 24.338 -13.228 17.736 23 HA PRO 4 HA PRO 4 19.237 -11.450 19.368 24 1HB PRO 4 HB2 PRO 4 19.034 -12.616 21.838 25 2HB PRO 4 HB3 PRO 4 17.722 -12.643 20.619 26 1HG PRO 4 HG2 PRO 4 19.762 -14.801 21.212 27 2HG PRO 4 HG3 PRO 4 17.992 -14.977 20.999 28 1HD PRO 4 HD2 PRO 4 19.774 -15.480 19.000 29 2HD PRO 4 HD3 PRO 4 18.173 -14.794 18.652 30 HA PRO 5 HA PRO 5 23.405 -10.494 20.803 31 1HB PRO 5 HB2 PRO 5 21.969 -9.238 23.148 32 2HB PRO 5 HB3 PRO 5 23.306 -8.571 22.161 33 1HG PRO 5 HG2 PRO 5 20.757 -7.763 21.731 34 2HG PRO 5 HG3 PRO 5 21.827 -8.124 20.337 35 1HD PRO 5 HD2 PRO 5 19.668 -9.868 21.545 36 2HD PRO 5 HD3 PRO 5 20.066 -9.558 19.828 37 H THR 6 H THR 6 24.959 -11.121 22.320 38 HA THR 6 HA THR 6 24.226 -12.667 24.753 39 HB THR 6 HB THR 6 25.807 -14.420 24.254 40 HG1 THR 6 HG1 THR 6 27.141 -13.554 22.710 41 1HG2 THR 6 HG21 THR 6 24.501 -15.729 22.719 42 2HG2 THR 6 HG22 THR 6 23.404 -14.762 23.719 43 3HG2 THR 6 HG23 THR 6 23.735 -14.281 22.039 44 HA PRO 7 HA PRO 7 27.417 -10.594 26.824 45 1HB PRO 7 HB2 PRO 7 28.439 -13.279 27.744 46 2HB PRO 7 HB3 PRO 7 28.039 -11.820 28.707 47 1HG PRO 7 HG2 PRO 7 26.322 -13.929 28.613 48 2HG PRO 7 HG3 PRO 7 25.709 -12.243 28.549 49 1HD PRO 7 HD2 PRO 7 26.138 -14.185 26.272 50 2HD PRO 7 HD3 PRO 7 24.772 -13.129 26.585 51 H LEU 8 H LEU 8 29.552 -9.946 26.709 52 HA LEU 8 HA LEU 8 31.602 -11.532 25.311 53 1HB LEU 8 HB2 LEU 8 30.455 -10.378 23.472 54 2HB LEU 8 HB3 LEU 8 30.611 -8.832 24.303 55 HG LEU 8 HG LEU 8 33.081 -8.932 24.061 56 1HD1 LEU 8 HD11 LEU 8 33.477 -11.357 24.027 57 2HD1 LEU 8 HD12 LEU 8 32.547 -11.506 22.518 58 3HD1 LEU 8 HD13 LEU 8 34.090 -10.627 22.541 59 1HD2 LEU 8 HD21 LEU 8 31.693 -7.859 22.323 60 2HD2 LEU 8 HD22 LEU 8 33.167 -8.571 21.650 61 3HD2 LEU 8 HD23 LEU 8 31.607 -9.401 21.442 62 H LEU 9 H LEU 9 32.911 -11.573 27.084 63 HA LEU 9 HA LEU 9 33.310 -9.500 28.965 64 1HB LEU 9 HB2 LEU 9 35.160 -11.772 28.149 65 2HB LEU 9 HB3 LEU 9 35.364 -10.777 29.585 66 HG LEU 9 HG LEU 9 32.986 -12.605 29.044 67 1HD1 LEU 9 HD11 LEU 9 33.922 -13.978 30.843 68 2HD1 LEU 9 HD12 LEU 9 35.091 -13.806 29.524 69 3HD1 LEU 9 HD13 LEU 9 35.293 -12.858 31.015 70 1HD2 LEU 9 HD21 LEU 9 32.418 -12.186 31.434 71 2HD2 LEU 9 HD22 LEU 9 33.684 -10.940 31.505 72 3HD2 LEU 9 HD23 LEU 9 32.263 -10.731 30.451 73 H ALA 10 H ALA 10 35.044 -10.051 25.921 74 HA ALA 10 HA ALA 10 37.080 -8.105 26.204 75 1HB ALA 10 HB1 ALA 10 37.248 -8.292 23.765 76 2HB ALA 10 HB2 ALA 10 37.005 -9.893 24.486 77 3HB ALA 10 HB3 ALA 10 35.651 -9.059 23.686 78 H ASP 11 H ASP 11 33.717 -7.503 25.986 79 HA ASP 11 HA ASP 11 34.185 -4.611 25.443 80 1HB ASP 11 HB2 ASP 11 33.215 -5.880 23.478 81 2HB ASP 11 HB3 ASP 11 31.815 -6.260 24.480 82 H TYR 12 H TYR 12 33.836 -6.398 27.916 83 HA TYR 12 HA TYR 12 31.762 -4.747 29.288 84 1HB TYR 12 HB2 TYR 12 30.772 -6.897 28.543 85 2HB TYR 12 HB3 TYR 12 32.009 -7.768 29.434 86 HD1 TYR 12 HD1 TYR 12 31.733 -8.245 31.768 87 HD2 TYR 12 HD2 TYR 12 29.134 -5.409 29.808 88 HE1 TYR 12 HE1 TYR 12 30.250 -8.211 33.772 89 HE2 TYR 12 HE2 TYR 12 27.657 -5.376 31.812 90 HH TYR 12 HH TYR 12 27.285 -6.200 33.918 91 H GLU 13 H GLU 13 34.689 -6.756 29.629 92 HA GLU 13 HA GLU 13 35.134 -6.007 32.420 93 1HB GLU 13 HB2 GLU 13 36.985 -7.188 30.312 94 2HB GLU 13 HB3 GLU 13 37.426 -6.909 32.000 95 1HG GLU 13 HG2 GLU 13 35.437 -8.345 32.668 96 2HG GLU 13 HG3 GLU 13 35.280 -8.803 30.975 97 H TRP 14 H TRP 14 35.381 -4.225 29.553 98 HA TRP 14 HA TRP 14 36.812 -2.029 30.933 99 1HB TRP 14 HB2 TRP 14 37.497 -2.984 28.122 100 2HB TRP 14 HB3 TRP 14 38.131 -1.545 28.900 101 HD1 TRP 14 HD1 TRP 14 39.919 -1.888 30.878 102 HE1 TRP 14 HE1 TRP 14 41.617 -3.761 31.321 103 HE3 TRP 14 HE3 TRP 14 37.839 -5.571 27.982 104 HZ2 TRP 14 HZ2 TRP 14 42.043 -6.493 30.498 105 HZ3 TRP 14 HZ3 TRP 14 38.915 -7.806 27.837 106 HH2 TRP 14 HH2 TRP 14 41.012 -8.276 29.081 107 H SER 15 H SER 15 36.353 0.038 30.067 108 HA SER 15 HA SER 15 34.167 0.298 28.048 109 1HB SER 15 HB2 SER 15 33.049 1.912 29.540 110 2HB SER 15 HB3 SER 15 33.163 0.304 30.267 111 HG SER 15 HG SER 15 33.757 1.986 31.735 112 H GLY 16 H GLY 16 37.259 1.094 28.477 113 1HA GLY 16 HA2 GLY 16 37.393 3.121 26.556 114 2HA GLY 16 HA3 GLY 16 37.353 3.959 28.114 115 H TYR 17 H TYR 17 38.892 2.197 29.687 116 HA TYR 17 HA TYR 17 41.503 3.046 29.206 117 1HB TYR 17 HB2 TYR 17 40.623 2.228 31.363 118 2HB TYR 17 HB3 TYR 17 40.615 0.580 30.745 119 HD1 TYR 17 HD1 TYR 17 42.812 3.479 31.609 120 HD2 TYR 17 HD2 TYR 17 42.639 -0.747 30.737 121 HE1 TYR 17 HE1 TYR 17 45.187 3.237 32.312 122 HE2 TYR 17 HE2 TYR 17 45.016 -0.985 31.450 123 HH TYR 17 HH TYR 17 46.952 1.808 32.599 124 H LEU 18 H LEU 18 40.025 0.066 28.006 125 HA LEU 18 HA LEU 18 42.347 -1.220 27.006 126 1HB LEU 18 HB2 LEU 18 40.072 -2.204 27.314 127 2HB LEU 18 HB3 LEU 18 39.507 -1.285 25.920 128 HG LEU 18 HG LEU 18 41.133 -2.556 24.481 129 1HD1 LEU 18 HD11 LEU 18 42.128 -4.644 25.400 130 2HD1 LEU 18 HD12 LEU 18 42.825 -3.209 26.154 131 3HD1 LEU 18 HD13 LEU 18 41.607 -4.168 27.032 132 1HD2 LEU 18 HD21 LEU 18 38.789 -3.279 24.729 133 2HD2 LEU 18 HD22 LEU 18 39.874 -4.661 24.516 134 3HD2 LEU 18 HD23 LEU 18 39.239 -4.274 26.129 135 H THR 19 H THR 19 40.549 1.515 25.699 136 HA THR 19 HA THR 19 41.986 1.499 23.105 137 HB THR 19 HB THR 19 40.165 3.622 24.309 138 HG1 THR 19 HG1 THR 19 39.091 1.661 23.897 139 1HG2 THR 19 HG21 THR 19 41.192 3.205 21.467 140 2HG2 THR 19 HG22 THR 19 39.907 4.342 21.934 141 3HG2 THR 19 HG23 THR 19 41.552 4.582 22.534 142 H GLY 20 H GLY 20 42.066 3.220 26.216 143 1HA GLY 20 HA2 GLY 20 44.056 5.170 25.622 144 2HA GLY 20 HA3 GLY 20 43.675 4.526 27.222 145 H ILE 21 H ILE 21 44.440 1.872 26.999 146 HA ILE 21 HA ILE 21 47.360 1.940 26.914 147 HB ILE 21 HB ILE 21 45.887 0.684 28.549 148 1HG1 ILE 21 HG12 ILE 21 48.052 -0.995 27.226 149 2HG1 ILE 21 HG13 ILE 21 48.360 0.384 28.287 150 1HG2 ILE 21 HG21 ILE 21 44.993 -1.467 28.006 151 2HG2 ILE 21 HG22 ILE 21 44.420 -0.361 26.757 152 3HG2 ILE 21 HG23 ILE 21 45.753 -1.470 26.400 153 1HD1 ILE 21 HD11 ILE 21 46.938 -2.198 29.059 154 2HD1 ILE 21 HD12 ILE 21 48.561 -1.678 29.540 155 3HD1 ILE 21 HD13 ILE 21 47.145 -0.784 30.123 156 H GLY 22 H GLY 22 45.203 1.773 24.382 157 1HA GLY 22 HA2 GLY 22 45.774 -0.322 22.721 158 2HA GLY 22 HA3 GLY 22 45.459 1.317 22.160 159 H ARG 23 H ARG 23 47.798 2.605 23.022 160 HA ARG 23 HA ARG 23 49.710 2.121 20.982 161 1HB ARG 23 HB2 ARG 23 49.351 4.225 22.310 162 2HB ARG 23 HB3 ARG 23 50.150 3.458 23.689 163 1HG ARG 23 HG2 ARG 23 52.226 3.205 22.298 164 2HG ARG 23 HG3 ARG 23 51.408 4.023 20.960 165 1HD ARG 23 HD2 ARG 23 51.953 5.193 23.725 166 2HD ARG 23 HD3 ARG 23 52.923 5.512 22.295 167 HE ARG 23 HE ARG 23 50.309 6.654 22.972 168 1HH1 ARG 23 HH21 ARG 23 52.543 6.188 20.312 169 2HH1 ARG 23 HH22 ARG 23 51.808 7.446 19.358 170 1HH2 ARG 23 HH11 ARG 23 49.416 8.230 21.702 171 2HH2 ARG 23 HH12 ARG 23 50.085 8.575 20.137 172 H ALA 24 H ALA 24 49.564 0.783 24.240 173 HA ALA 24 HA ALA 24 52.096 -0.753 23.890 174 1HB ALA 24 HB1 ALA 24 51.755 0.488 26.006 175 2HB ALA 24 HB2 ALA 24 50.213 -0.352 26.265 176 3HB ALA 24 HB3 ALA 24 51.742 -1.263 26.297 177 H PHE 25 H PHE 25 48.605 -1.252 24.006 178 HA PHE 25 HA PHE 25 48.772 -4.074 24.146 179 1HB PHE 25 HB2 PHE 25 46.730 -2.614 24.549 180 2HB PHE 25 HB3 PHE 25 46.598 -2.402 22.810 181 HD1 PHE 25 HD1 PHE 25 45.930 -4.321 21.344 182 HD2 PHE 25 HD2 PHE 25 46.044 -4.668 25.643 183 HE1 PHE 25 HE1 PHE 25 44.564 -6.390 21.215 184 HE2 PHE 25 HE2 PHE 25 44.665 -6.730 25.510 185 HZ PHE 25 HZ PHE 25 43.929 -7.597 23.296 186 H ASP 26 H ASP 26 49.038 -1.898 21.380 187 HA ASP 26 HA ASP 26 48.838 -3.630 19.208 188 1HB ASP 26 HB2 ASP 26 49.128 -1.180 19.119 189 2HB ASP 26 HB3 ASP 26 50.808 -1.355 19.636 190 H ASP 27 H ASP 27 51.599 -3.363 21.458 191 HA ASP 27 HA ASP 27 53.391 -5.058 19.947 192 1HB ASP 27 HB2 ASP 27 54.073 -3.381 21.689 193 2HB ASP 27 HB3 ASP 27 53.368 -4.421 22.922 194 H GLY 28 H GLY 28 50.624 -5.784 21.885 195 1HA GLY 28 HA2 GLY 28 51.304 -8.604 22.408 196 2HA GLY 28 HA3 GLY 28 49.764 -7.784 22.695 197 H VAL 29 H VAL 29 49.463 -6.719 19.965 198 HA VAL 29 HA VAL 29 48.210 -9.003 18.734 199 HB VAL 29 HB VAL 29 48.774 -6.429 17.230 200 1HG1 VAL 29 HG11 VAL 29 47.723 -8.180 15.895 201 2HG1 VAL 29 HG12 VAL 29 46.582 -8.561 17.195 202 3HG1 VAL 29 HG13 VAL 29 46.467 -7.018 16.306 203 1HG2 VAL 29 HG21 VAL 29 46.623 -5.571 18.122 204 2HG2 VAL 29 HG22 VAL 29 46.565 -6.940 19.264 205 3HG2 VAL 29 HG23 VAL 29 47.851 -5.716 19.375 206 H LYS 30 H LYS 30 51.449 -7.853 18.515 207 HA LYS 30 HA LYS 30 52.268 -9.017 16.059 208 1HB LYS 30 HB2 LYS 30 53.622 -8.472 18.713 209 2HB LYS 30 HB3 LYS 30 54.495 -9.360 17.452 210 1HG LYS 30 HG2 LYS 30 54.418 -7.550 15.928 211 2HG LYS 30 HG3 LYS 30 53.131 -6.728 16.815 212 1HD LYS 30 HD2 LYS 30 55.258 -5.572 17.114 213 2HD LYS 30 HD3 LYS 30 54.616 -6.189 18.637 214 1HE LYS 30 HE2 LYS 30 56.178 -8.116 18.525 215 2HE LYS 30 HE3 LYS 30 56.866 -7.461 17.030 216 1HZ LYS 30 HZ1 LYS 30 57.554 -5.500 18.272 217 2HZ LYS 30 HZ2 LYS 30 56.810 -6.011 19.635 218 3HZ LYS 30 HZ3 LYS 30 58.123 -6.816 19.058 219 H ASP 31 H ASP 31 51.149 -10.594 18.926 220 HA ASP 31 HA ASP 31 52.064 -13.243 18.629 221 1HB ASP 31 HB2 ASP 31 50.712 -12.343 20.506 222 2HB ASP 31 HB3 ASP 31 49.321 -12.174 19.415 223 H LEU 32 H LEU 32 49.503 -11.542 16.811 224 HA LEU 32 HA LEU 32 48.401 -13.855 15.502 225 1HB LEU 32 HB2 LEU 32 47.599 -11.327 15.820 226 2HB LEU 32 HB3 LEU 32 48.465 -11.056 14.330 227 HG LEU 32 HG LEU 32 46.010 -12.784 14.834 228 1HD1 LEU 32 HD11 LEU 32 46.590 -10.425 12.986 229 2HD1 LEU 32 HD12 LEU 32 45.033 -11.257 13.138 230 3HD1 LEU 32 HD13 LEU 32 45.688 -10.363 14.515 231 1HD2 LEU 32 HD21 LEU 32 47.667 -12.690 12.287 232 2HD2 LEU 32 HD22 LEU 32 47.276 -14.121 13.270 233 3HD2 LEU 32 HD23 LEU 32 45.997 -13.302 12.387 234 H ASN 33 H ASN 33 50.935 -11.531 14.621 235 HA ASN 33 HA ASN 33 51.612 -12.712 12.075 236 1HB ASN 33 HB2 ASN 33 52.256 -10.390 13.067 237 2HB ASN 33 HB3 ASN 33 53.586 -11.241 13.856 238 1HD2 ASN 33 HD22 ASN 33 54.131 -13.090 11.535 239 2HD2 ASN 33 HD21 ASN 33 54.797 -12.018 10.308 240 H LYS 34 H LYS 34 52.676 -13.410 15.393 241 HA LYS 34 HA LYS 34 54.608 -15.447 14.667 242 1HB LYS 34 HB2 LYS 34 54.573 -14.201 16.833 243 2HB LYS 34 HB3 LYS 34 53.130 -15.103 17.308 244 1HG LYS 34 HG2 LYS 34 54.373 -17.224 17.183 245 2HG LYS 34 HG3 LYS 34 55.816 -16.362 16.610 246 1HD LYS 34 HD2 LYS 34 55.865 -15.059 18.728 247 2HD LYS 34 HD3 LYS 34 54.462 -15.952 19.324 248 1HE LYS 34 HE2 LYS 34 57.130 -17.219 18.535 249 2HE LYS 34 HE3 LYS 34 56.717 -16.728 20.178 250 1HZ LYS 34 HZ1 LYS 34 55.265 -18.792 18.611 251 2HZ LYS 34 HZ2 LYS 34 56.259 -19.068 19.872 252 3HZ LYS 34 HZ3 LYS 34 54.845 -18.295 20.113 253 H GLN 35 H GLN 35 51.136 -15.626 15.447 254 HA GLN 35 HA GLN 35 50.849 -18.475 15.207 255 1HB GLN 35 HB2 GLN 35 48.874 -16.244 14.552 256 2HB GLN 35 HB3 GLN 35 48.489 -17.958 14.523 257 1HG GLN 35 HG2 GLN 35 48.952 -18.151 16.925 258 2HG GLN 35 HG3 GLN 35 49.419 -16.463 17.004 259 1HE2 GLN 35 HE22 GLN 35 47.747 -15.472 18.213 260 2HE2 GLN 35 HE21 GLN 35 46.049 -15.649 17.769 261 H LEU 36 H LEU 36 50.788 -15.893 12.750 262 HA LEU 36 HA LEU 36 50.248 -17.678 10.545 263 1HB LEU 36 HB2 LEU 36 49.766 -15.247 10.592 264 2HB LEU 36 HB3 LEU 36 51.502 -14.956 10.409 265 HG LEU 36 HG LEU 36 51.504 -16.223 8.280 266 1HD1 LEU 36 HD11 LEU 36 49.334 -16.745 7.148 267 2HD1 LEU 36 HD12 LEU 36 49.685 -17.850 8.487 268 3HD1 LEU 36 HD13 LEU 36 48.507 -16.538 8.680 269 1HD2 LEU 36 HD21 LEU 36 49.210 -14.267 8.415 270 2HD2 LEU 36 HD22 LEU 36 50.915 -13.764 8.473 271 3HD2 LEU 36 HD23 LEU 36 50.271 -14.541 7.023 272 H GLN 37 H GLN 37 53.331 -16.426 11.881 273 HA GLN 37 HA GLN 37 54.935 -17.848 9.930 274 1HB GLN 37 HB2 GLN 37 55.509 -16.747 12.720 275 2HB GLN 37 HB3 GLN 37 56.749 -17.573 11.784 276 1HG GLN 37 HG2 GLN 37 55.271 -15.147 10.682 277 2HG GLN 37 HG3 GLN 37 56.703 -15.020 11.695 278 1HE2 GLN 37 HE22 GLN 37 57.942 -14.027 9.983 279 2HE2 GLN 37 HE21 GLN 37 58.509 -15.001 8.635 280 H ASP 38 H ASP 38 53.561 -18.844 13.070 281 HA ASP 38 HA ASP 38 54.795 -21.448 13.084 282 1HB ASP 38 HB2 ASP 38 53.639 -20.448 15.052 283 2HB ASP 38 HB3 ASP 38 52.092 -20.663 14.234 284 H ALA 39 H ALA 39 51.727 -20.265 11.660 285 HA ALA 39 HA ALA 39 50.956 -22.731 10.483 286 1HB ALA 39 HB1 ALA 39 50.425 -20.119 9.026 287 2HB ALA 39 HB2 ALA 39 49.401 -21.561 9.203 288 3HB ALA 39 HB3 ALA 39 49.640 -20.402 10.567 289 H GLN 40 H GLN 40 53.001 -20.142 9.234 290 HA GLN 40 HA GLN 40 53.533 -21.344 6.684 291 1HB GLN 40 HB2 GLN 40 53.806 -18.855 7.507 292 2HB GLN 40 HB3 GLN 40 55.320 -19.370 8.216 293 1HG GLN 40 HG2 GLN 40 56.331 -19.826 6.129 294 2HG GLN 40 HG3 GLN 40 54.778 -19.940 5.293 295 1HE2 GLN 40 HE22 GLN 40 56.489 -17.340 7.279 296 2HE2 GLN 40 HE21 GLN 40 56.138 -16.119 6.067 297 H ALA 41 H ALA 41 55.106 -21.804 9.829 298 HA ALA 41 HA ALA 41 57.207 -23.506 8.642 299 1HB ALA 41 HB1 ALA 41 57.705 -22.191 10.622 300 2HB ALA 41 HB2 ALA 41 56.440 -23.058 11.541 301 3HB ALA 41 HB3 ALA 41 57.871 -23.931 10.924 302 H ASN 42 H ASN 42 54.044 -24.162 10.223 303 HA ASN 42 HA ASN 42 54.411 -27.025 10.026 304 1HB ASN 42 HB2 ASN 42 51.732 -25.536 9.899 305 2HB ASN 42 HB3 ASN 42 52.031 -27.192 10.341 306 1HD2 ASN 42 HD22 ASN 42 50.777 -24.906 11.878 307 2HD2 ASN 42 HD21 ASN 42 51.766 -24.698 13.314 308 H LEU 43 H LEU 43 53.265 -24.492 7.810 309 HA LEU 43 HA LEU 43 52.956 -26.231 5.586 310 1HB LEU 43 HB2 LEU 43 52.101 -23.707 6.077 311 2HB LEU 43 HB3 LEU 43 53.620 -23.288 5.308 312 HG LEU 43 HG LEU 43 53.018 -24.691 3.393 313 1HD1 LEU 43 HD11 LEU 43 50.437 -25.109 3.303 314 2HD1 LEU 43 HD12 LEU 43 51.348 -26.183 4.334 315 3HD1 LEU 43 HD13 LEU 43 50.490 -24.792 5.079 316 1HD2 LEU 43 HD21 LEU 43 52.593 -22.281 3.268 317 2HD2 LEU 43 HD22 LEU 43 51.379 -23.241 2.387 318 3HD2 LEU 43 HD23 LEU 43 50.973 -22.546 3.980 319 H THR 44 H THR 44 55.801 -24.453 6.821 320 HA THR 44 HA THR 44 57.410 -24.979 4.539 321 HB THR 44 HB THR 44 58.256 -24.685 7.433 322 HG1 THR 44 HG1 THR 44 57.367 -22.857 6.290 323 1HG2 THR 44 HG21 THR 44 59.983 -25.917 6.456 324 2HG2 THR 44 HG22 THR 44 59.878 -25.012 4.920 325 3HG2 THR 44 HG23 THR 44 60.513 -24.221 6.411 326 H LYS 45 H LYS 45 56.752 -26.940 7.403 327 HA LYS 45 HA LYS 45 58.444 -29.186 6.769 328 1HB LYS 45 HB2 LYS 45 55.895 -28.883 8.382 329 2HB LYS 45 HB3 LYS 45 56.807 -30.398 8.275 330 1HG LYS 45 HG2 LYS 45 58.788 -29.293 9.259 331 2HG LYS 45 HG3 LYS 45 57.910 -27.761 9.322 332 1HD LYS 45 HD2 LYS 45 57.916 -28.720 11.515 333 2HD LYS 45 HD3 LYS 45 56.263 -28.742 10.887 334 1HE LYS 45 HE2 LYS 45 56.513 -31.148 10.310 335 2HE LYS 45 HE3 LYS 45 58.188 -31.116 10.876 336 1HZ LYS 45 HZ1 LYS 45 57.349 -30.583 13.105 337 2HZ LYS 45 HZ2 LYS 45 55.802 -30.626 12.580 338 3HZ LYS 45 HZ3 LYS 45 56.703 -31.985 12.583 339 H ASN 46 H ASN 46 55.194 -28.403 5.607 340 HA ASN 46 HA ASN 46 55.664 -30.126 3.342 341 1HB ASN 46 HB2 ASN 46 54.659 -31.586 5.068 342 2HB ASN 46 HB3 ASN 46 53.288 -30.502 5.094 343 1HD2 ASN 46 HD22 ASN 46 53.413 -33.410 4.374 344 2HD2 ASN 46 HD21 ASN 46 52.967 -33.544 2.679 345 HA PRO 47 HA PRO 47 54.376 -25.927 2.271 346 1HB PRO 47 HB2 PRO 47 55.153 -27.085 -0.374 347 2HB PRO 47 HB3 PRO 47 55.345 -25.399 0.261 348 1HG PRO 47 HG2 PRO 47 57.415 -27.171 0.392 349 2HG PRO 47 HG3 PRO 47 57.053 -26.069 1.760 350 1HD PRO 47 HD2 PRO 47 56.550 -29.001 1.557 351 2HD PRO 47 HD3 PRO 47 56.814 -27.985 2.973 352 H SER 48 H SER 48 52.919 -28.753 0.534 353 HA SER 48 HA SER 48 50.453 -27.212 0.709 354 1HB SER 48 HB2 SER 48 49.831 -28.031 -1.413 355 2HB SER 48 HB3 SER 48 51.456 -27.340 -1.504 356 HG SER 48 HG SER 48 50.757 -30.106 -1.450 357 H ASP 49 H ASP 49 51.374 -28.925 2.731 358 HA ASP 49 HA ASP 49 49.606 -31.247 2.851 359 1HB ASP 49 HB2 ASP 49 51.313 -31.274 4.370 360 2HB ASP 49 HB3 ASP 49 51.167 -29.646 4.904 361 HA PRO 50 HA PRO 50 46.170 -28.611 2.495 362 1HB PRO 50 HB2 PRO 50 44.101 -30.289 3.028 363 2HB PRO 50 HB3 PRO 50 45.104 -30.290 1.519 364 1HG PRO 50 HG2 PRO 50 45.318 -32.079 3.983 365 2HG PRO 50 HG3 PRO 50 45.374 -32.579 2.261 366 1HD PRO 50 HD2 PRO 50 47.637 -32.150 3.795 367 2HD PRO 50 HD3 PRO 50 47.593 -31.813 2.032 368 H THR 51 H THR 51 46.552 -30.235 5.618 369 HA THR 51 HA THR 51 44.613 -28.423 7.012 370 HB THR 51 HB THR 51 46.563 -30.540 7.830 371 HG1 THR 51 HG1 THR 51 44.531 -31.205 7.094 372 1HG2 THR 51 HG21 THR 51 46.771 -28.949 9.609 373 2HG2 THR 51 HG22 THR 51 45.001 -28.701 9.643 374 3HG2 THR 51 HG23 THR 51 45.711 -30.254 10.170 375 H ALA 52 H ALA 52 48.182 -28.792 6.621 376 HA ALA 52 HA ALA 52 48.873 -26.406 8.107 377 1HB ALA 52 HB1 ALA 52 50.953 -26.607 6.732 378 2HB ALA 52 HB2 ALA 52 50.483 -28.233 7.292 379 3HB ALA 52 HB3 ALA 52 50.144 -27.741 5.634 380 H LEU 53 H LEU 53 47.948 -26.841 4.737 381 HA LEU 53 HA LEU 53 48.251 -24.051 4.177 382 1HB LEU 53 HB2 LEU 53 48.558 -26.086 2.744 383 2HB LEU 53 HB3 LEU 53 46.816 -26.212 2.567 384 HG LEU 53 HG LEU 53 46.773 -24.517 0.994 385 1HD1 LEU 53 HD11 LEU 53 48.477 -22.697 0.823 386 2HD1 LEU 53 HD12 LEU 53 47.522 -22.637 2.328 387 3HD1 LEU 53 HD13 LEU 53 49.184 -23.289 2.342 388 1HD2 LEU 53 HD21 LEU 53 48.450 -26.294 0.386 389 2HD2 LEU 53 HD22 LEU 53 48.766 -24.731 -0.413 390 3HD2 LEU 53 HD23 LEU 53 49.749 -25.188 1.004 391 H ALA 54 H ALA 54 45.408 -26.103 4.943 392 HA ALA 54 HA ALA 54 43.427 -24.073 4.790 393 1HB ALA 54 HB1 ALA 54 43.751 -26.548 6.594 394 2HB ALA 54 HB2 ALA 54 42.263 -25.579 6.507 395 3HB ALA 54 HB3 ALA 54 42.836 -26.447 5.076 396 H ASN 55 H ASN 55 45.641 -25.017 7.404 397 HA ASN 55 HA ASN 55 44.695 -23.245 9.380 398 1HB ASN 55 HB2 ASN 55 46.078 -25.193 9.901 399 2HB ASN 55 HB3 ASN 55 47.368 -24.620 8.868 400 1HD2 ASN 55 HD22 ASN 55 49.028 -23.811 9.834 401 2HD2 ASN 55 HD21 ASN 55 48.983 -23.054 11.443 402 H TYR 56 H TYR 56 47.579 -23.002 7.293 403 HA TYR 56 HA TYR 56 48.215 -20.257 7.752 404 1HB TYR 56 HB2 TYR 56 49.681 -21.835 6.646 405 2HB TYR 56 HB3 TYR 56 48.541 -22.078 5.336 406 HD1 TYR 56 HD1 TYR 56 48.643 -20.695 3.384 407 HD2 TYR 56 HD2 TYR 56 51.033 -19.780 6.861 408 HE1 TYR 56 HE1 TYR 56 50.239 -19.418 1.961 409 HE2 TYR 56 HE2 TYR 56 52.590 -18.475 5.443 410 HH TYR 56 HH TYR 56 53.201 -17.909 3.321 411 H GLN 57 H GLN 57 45.871 -21.509 5.332 412 HA GLN 57 HA GLN 57 45.261 -18.872 4.365 413 1HB GLN 57 HB2 GLN 57 43.753 -21.502 4.291 414 2HB GLN 57 HB3 GLN 57 43.040 -20.027 3.652 415 1HG GLN 57 HG2 GLN 57 45.760 -21.037 2.725 416 2HG GLN 57 HG3 GLN 57 44.241 -21.505 1.963 417 1HE2 GLN 57 HE22 GLN 57 42.948 -19.801 0.870 418 2HE2 GLN 57 HE21 GLN 57 43.763 -18.329 0.360 419 H MET 58 H MET 58 43.784 -20.788 7.008 420 HA MET 58 HA MET 58 41.689 -18.914 7.614 421 1HB MET 58 HB2 MET 58 41.598 -21.252 8.230 422 2HB MET 58 HB3 MET 58 43.060 -21.134 9.203 423 1HG MET 58 HG2 MET 58 40.570 -19.543 9.834 424 2HG MET 58 HG3 MET 58 40.751 -21.206 10.363 425 1HE MET 58 HE1 MET 58 43.616 -21.673 11.376 426 2HE MET 58 HE2 MET 58 43.507 -21.134 13.063 427 3HE MET 58 HE3 MET 58 42.169 -22.052 12.339 428 H ILE 59 H ILE 59 44.978 -19.311 9.018 429 HA ILE 59 HA ILE 59 44.661 -17.112 10.863 430 HB ILE 59 HB ILE 59 47.033 -18.669 9.766 431 1HG1 ILE 59 HG12 ILE 59 45.694 -18.819 12.522 432 2HG1 ILE 59 HG13 ILE 59 45.330 -19.934 11.207 433 1HG2 ILE 59 HG21 ILE 59 47.671 -16.379 10.672 434 2HG2 ILE 59 HG22 ILE 59 47.040 -16.904 12.237 435 3HG2 ILE 59 HG23 ILE 59 48.391 -17.778 11.454 436 1HD1 ILE 59 HD11 ILE 59 46.941 -20.916 12.738 437 2HD1 ILE 59 HD12 ILE 59 47.605 -20.693 11.096 438 3HD1 ILE 59 HD13 ILE 59 48.094 -19.615 12.419 439 H MET 60 H MET 60 45.972 -17.435 7.534 440 HA MET 60 HA MET 60 46.921 -14.775 7.402 441 1HB MET 60 HB2 MET 60 47.490 -16.680 5.874 442 2HB MET 60 HB3 MET 60 45.986 -16.347 5.000 443 1HG MET 60 HG2 MET 60 46.830 -14.030 4.601 444 2HG MET 60 HG3 MET 60 48.221 -14.385 5.657 445 1HE MET 60 HE1 MET 60 50.027 -15.690 5.317 446 2HE MET 60 HE2 MET 60 49.356 -17.245 4.782 447 3HE MET 60 HE3 MET 60 50.626 -16.438 3.822 448 H SER 61 H SER 61 43.724 -16.127 6.684 449 HA SER 61 HA SER 61 42.434 -13.796 5.682 450 1HB SER 61 HB2 SER 61 41.472 -16.081 5.685 451 2HB SER 61 HB3 SER 61 41.290 -16.020 7.438 452 HG SER 61 HG SER 61 39.366 -15.421 6.275 453 H GLU 62 H GLU 62 42.885 -14.896 9.080 454 HA GLU 62 HA GLU 62 41.720 -12.541 10.256 455 1HB GLU 62 HB2 GLU 62 41.946 -14.818 11.311 456 2HB GLU 62 HB3 GLU 62 43.675 -14.531 11.508 457 1HG GLU 62 HG2 GLU 62 43.221 -12.614 12.974 458 2HG GLU 62 HG3 GLU 62 41.498 -12.689 12.611 459 H TYR 63 H TYR 63 45.099 -13.430 9.587 460 HA TYR 63 HA TYR 63 46.416 -11.176 10.689 461 1HB TYR 63 HB2 TYR 63 47.634 -13.136 10.002 462 2HB TYR 63 HB3 TYR 63 47.054 -13.027 8.359 463 HD1 TYR 63 HD1 TYR 63 49.365 -11.397 10.783 464 HD2 TYR 63 HD2 TYR 63 48.108 -11.836 6.675 465 HE1 TYR 63 HE1 TYR 63 51.504 -10.370 10.002 466 HE2 TYR 63 HE2 TYR 63 50.246 -10.843 5.905 467 HH TYR 63 HH TYR 63 52.280 -9.984 6.526 468 H ASN 64 H ASN 64 45.130 -11.643 7.406 469 HA ASN 64 HA ASN 64 46.004 -9.133 6.413 470 1HB ASN 64 HB2 ASN 64 45.434 -11.040 4.966 471 2HB ASN 64 HB3 ASN 64 43.747 -10.966 5.480 472 1HD2 ASN 64 HD22 ASN 64 46.267 -9.297 3.590 473 2HD2 ASN 64 HD21 ASN 64 45.131 -8.294 2.703 474 H LEU 65 H LEU 65 42.918 -10.156 7.879 475 HA LEU 65 HA LEU 65 41.465 -7.729 7.577 476 1HB LEU 65 HB2 LEU 65 40.412 -9.864 8.105 477 2HB LEU 65 HB3 LEU 65 41.284 -9.963 9.632 478 HG LEU 65 HG LEU 65 40.039 -8.008 10.502 479 1HD1 LEU 65 HD11 LEU 65 38.490 -8.161 7.875 480 2HD1 LEU 65 HD12 LEU 65 38.045 -7.182 9.291 481 3HD1 LEU 65 HD13 LEU 65 39.524 -6.812 8.404 482 1HD2 LEU 65 HD21 LEU 65 39.199 -10.289 10.875 483 2HD2 LEU 65 HD22 LEU 65 37.866 -9.133 10.726 484 3HD2 LEU 65 HD23 LEU 65 38.264 -10.206 9.365 485 H TYR 66 H TYR 66 43.453 -8.843 10.343 486 HA TYR 66 HA TYR 66 43.124 -6.391 11.840 487 1HB TYR 66 HB2 TYR 66 44.915 -8.789 12.039 488 2HB TYR 66 HB3 TYR 66 45.398 -7.329 12.882 489 HD1 TYR 66 HD1 TYR 66 44.272 -6.512 14.830 490 HD2 TYR 66 HD2 TYR 66 42.674 -9.873 12.650 491 HE1 TYR 66 HE1 TYR 66 42.695 -6.984 16.703 492 HE2 TYR 66 HE2 TYR 66 41.101 -10.342 14.515 493 HH TYR 66 HH TYR 66 40.363 -9.706 16.592 494 H ARG 67 H ARG 67 45.594 -7.352 9.450 495 HA ARG 67 HA ARG 67 47.110 -4.886 9.729 496 1HB ARG 67 HB2 ARG 67 47.000 -7.028 7.590 497 2HB ARG 67 HB3 ARG 67 47.944 -5.543 7.385 498 1HG ARG 67 HG2 ARG 67 49.162 -5.984 9.499 499 2HG ARG 67 HG3 ARG 67 48.235 -7.471 9.734 500 1HD ARG 67 HD2 ARG 67 50.420 -7.983 8.845 501 2HD ARG 67 HD3 ARG 67 49.170 -8.411 7.676 502 HE ARG 67 HE ARG 67 50.915 -5.956 7.547 503 1HH1 ARG 67 HH11 ARG 67 49.241 -8.474 5.784 504 2HH1 ARG 67 HH12 ARG 67 49.789 -7.879 4.238 505 1HH2 ARG 67 HH21 ARG 67 51.565 -5.249 5.553 506 2HH2 ARG 67 HH22 ARG 67 51.071 -6.103 4.122 507 H ASN 68 H ASN 68 44.323 -5.694 7.645 508 HA ASN 68 HA ASN 68 44.239 -3.182 6.277 509 1HB ASN 68 HB2 ASN 68 42.907 -5.213 5.664 510 2HB ASN 68 HB3 ASN 68 41.940 -4.998 7.120 511 1HD2 ASN 68 HD22 ASN 68 40.000 -3.978 6.730 512 2HD2 ASN 68 HD21 ASN 68 39.751 -2.809 5.443 513 H ALA 69 H ALA 69 43.080 -4.035 9.514 514 HA ALA 69 HA ALA 69 42.069 -1.347 9.960 515 1HB ALA 69 HB1 ALA 69 41.740 -2.143 12.284 516 2HB ALA 69 HB2 ALA 69 41.122 -3.326 11.117 517 3HB ALA 69 HB3 ALA 69 42.676 -3.610 11.930 518 H GLN 70 H GLN 70 45.174 -2.986 10.662 519 HA GLN 70 HA GLN 70 46.389 -0.925 12.180 520 1HB GLN 70 HB2 GLN 70 47.242 -3.281 11.751 521 2HB GLN 70 HB3 GLN 70 47.749 -2.734 10.151 522 1HG GLN 70 HG2 GLN 70 49.667 -2.701 11.530 523 2HG GLN 70 HG3 GLN 70 49.231 -1.020 11.262 524 1HE2 GLN 70 HE22 GLN 70 49.384 -3.644 13.661 525 2HE2 GLN 70 HE21 GLN 70 49.205 -2.582 15.057 526 H SER 71 H SER 71 46.153 -1.249 8.592 527 HA SER 71 HA SER 71 47.643 1.014 7.848 528 1HB SER 71 HB2 SER 71 45.116 -0.074 6.559 529 2HB SER 71 HB3 SER 71 46.242 1.077 5.815 530 HG SER 71 HG SER 71 46.687 -1.098 5.206 531 H SER 72 H SER 72 44.374 0.998 9.278 532 HA SER 72 HA SER 72 43.708 3.707 8.633 533 1HB SER 72 HB2 SER 72 42.802 2.037 11.005 534 2HB SER 72 HB3 SER 72 42.060 3.538 10.430 535 HG SER 72 HG SER 72 40.988 1.681 9.611 536 H ALA 73 H ALA 73 45.966 2.443 11.030 537 HA ALA 73 HA ALA 73 46.108 4.945 12.549 538 1HB ALA 73 HB1 ALA 73 46.663 2.719 13.536 539 2HB ALA 73 HB2 ALA 73 48.051 2.599 12.432 540 3HB ALA 73 HB3 ALA 73 47.997 3.881 13.654 541 H VAL 74 H VAL 74 47.862 3.494 9.796 542 HA VAL 74 HA VAL 74 49.979 5.348 9.600 543 HB VAL 74 HB VAL 74 48.661 3.733 7.374 544 1HG1 VAL 74 HG11 VAL 74 50.947 3.748 6.435 545 2HG1 VAL 74 HG12 VAL 74 50.252 5.368 6.548 546 3HG1 VAL 74 HG13 VAL 74 51.455 4.839 7.752 547 1HG2 VAL 74 HG21 VAL 74 50.888 2.921 9.305 548 2HG2 VAL 74 HG22 VAL 74 49.265 2.203 9.241 549 3HG2 VAL 74 HG23 VAL 74 50.363 1.997 7.881 550 H LYS 75 H LYS 75 46.640 5.508 8.416 551 HA LYS 75 HA LYS 75 46.783 7.848 6.796 552 1HB LYS 75 HB2 LYS 75 44.541 6.893 8.626 553 2HB LYS 75 HB3 LYS 75 44.395 8.165 7.414 554 1HG LYS 75 HG2 LYS 75 44.970 6.540 5.618 555 2HG LYS 75 HG3 LYS 75 45.095 5.258 6.826 556 1HD LYS 75 HD2 LYS 75 42.950 5.071 5.774 557 2HD LYS 75 HD3 LYS 75 42.698 5.618 7.438 558 1HE LYS 75 HE2 LYS 75 42.449 7.963 6.614 559 2HE LYS 75 HE3 LYS 75 42.718 7.405 4.959 560 1HZ LYS 75 HZ1 LYS 75 40.352 7.628 5.447 561 2HZ LYS 75 HZ2 LYS 75 40.691 6.059 5.165 562 3HZ LYS 75 HZ3 LYS 75 40.446 6.583 6.694 563 H SER 76 H SER 76 47.308 7.634 10.185 564 HA SER 76 HA SER 76 47.116 10.603 10.511 565 1HB SER 76 HB2 SER 76 46.880 8.413 12.604 566 2HB SER 76 HB3 SER 76 46.779 10.160 12.900 567 HG SER 76 HG SER 76 44.704 9.185 12.691 568 H MET 77 H MET 77 49.481 8.552 9.723 569 HA MET 77 HA MET 77 51.451 8.665 11.715 570 1HB MET 77 HB2 MET 77 51.547 7.321 9.634 571 2HB MET 77 HB3 MET 77 51.812 8.788 8.692 572 1HG MET 77 HG2 MET 77 53.901 7.602 9.058 573 2HG MET 77 HG3 MET 77 53.948 9.178 9.830 574 1HE MET 77 HE1 MET 77 52.358 5.689 11.074 575 2HE MET 77 HE2 MET 77 53.881 5.312 10.233 576 3HE MET 77 HE3 MET 77 53.747 5.071 11.986 577 H LYS 78 H LYS 78 50.618 11.229 9.366 578 HA LYS 78 HA LYS 78 52.817 12.981 10.028 579 1HB LYS 78 HB2 LYS 78 50.083 13.569 8.827 580 2HB LYS 78 HB3 LYS 78 51.388 14.743 8.954 581 1HG LYS 78 HG2 LYS 78 51.490 12.160 7.339 582 2HG LYS 78 HG3 LYS 78 51.251 13.791 6.710 583 1HD LYS 78 HD2 LYS 78 53.521 14.396 7.739 584 2HD LYS 78 HD3 LYS 78 53.782 12.665 7.991 585 1HE LYS 78 HE2 LYS 78 53.196 14.003 5.309 586 2HE LYS 78 HE3 LYS 78 54.808 13.588 5.895 587 1HZ LYS 78 HZ1 LYS 78 54.196 11.259 5.886 588 2HZ LYS 78 HZ2 LYS 78 52.660 11.597 5.398 589 3HZ LYS 78 HZ3 LYS 78 53.926 11.885 4.409 590 H ASP 79 H ASP 79 49.765 12.432 11.692 591 HA ASP 79 HA ASP 79 49.968 14.826 13.365 592 1HB ASP 79 HB2 ASP 79 47.823 13.639 12.905 593 2HB ASP 79 HB3 ASP 79 48.416 12.245 13.810 594 H ILE 80 H ILE 80 51.061 11.435 13.574 595 HA ILE 80 HA ILE 80 52.209 11.674 16.235 596 HB ILE 80 HB ILE 80 52.932 9.694 14.042 597 1HG1 ILE 80 HG12 ILE 80 50.545 9.479 14.369 598 2HG1 ILE 80 HG13 ILE 80 51.371 8.109 15.069 599 1HG2 ILE 80 HG21 ILE 80 54.574 9.659 15.784 600 2HG2 ILE 80 HG22 ILE 80 53.340 9.666 17.058 601 3HG2 ILE 80 HG23 ILE 80 53.543 8.243 16.012 602 1HD1 ILE 80 HD11 ILE 80 50.199 10.464 16.619 603 2HD1 ILE 80 HD12 ILE 80 49.541 8.822 16.509 604 3HD1 ILE 80 HD13 ILE 80 51.074 9.097 17.350 605 H ASP 81 H ASP 81 53.506 11.997 12.938 606 HA ASP 81 HA ASP 81 56.202 12.603 13.596 607 1HB ASP 81 HB2 ASP 81 55.360 12.043 11.333 608 2HB ASP 81 HB3 ASP 81 54.504 13.585 11.277 609 H SER 82 H SER 82 53.363 14.729 13.464 610 HA SER 82 HA SER 82 54.696 17.231 13.795 611 1HB SER 82 HB2 SER 82 51.886 16.408 14.621 612 2HB SER 82 HB3 SER 82 52.500 18.067 14.601 613 HG SER 82 HG SER 82 52.255 16.300 12.374 614 H SER 83 H SER 83 54.233 14.721 16.170 615 HA SER 83 HA SER 83 54.512 16.417 18.519 616 1HB SER 83 HB2 SER 83 54.945 13.422 18.214 617 2HB SER 83 HB3 SER 83 54.761 14.304 19.734 618 HG SER 83 HG SER 83 52.644 14.881 19.092 619 H ILE 84 H ILE 84 56.742 16.154 16.215 620 HA ILE 84 HA ILE 84 59.060 15.079 17.084 621 HB ILE 84 HB ILE 84 58.646 16.041 14.898 622 1HG1 ILE 84 HG12 ILE 84 61.213 17.160 16.073 623 2HG1 ILE 84 HG13 ILE 84 60.940 15.456 15.695 624 1HG2 ILE 84 HG21 ILE 84 58.872 18.405 14.403 625 2HG2 ILE 84 HG22 ILE 84 57.634 18.222 15.638 626 3HG2 ILE 84 HG23 ILE 84 59.259 18.781 16.092 627 1HD1 ILE 84 HD11 ILE 84 60.527 16.086 13.303 628 2HD1 ILE 84 HD12 ILE 84 60.973 17.763 13.710 629 3HD1 ILE 84 HD13 ILE 84 62.161 16.463 13.882 630 H LEU 85 H LEU 85 57.845 18.102 18.429 631 HA LEU 85 HA LEU 85 60.296 18.860 19.743 632 1HB LEU 85 HB2 LEU 85 59.115 20.611 20.680 633 2HB LEU 85 HB3 LEU 85 58.412 20.388 19.091 634 HG LEU 85 HG LEU 85 57.200 19.623 21.782 635 1HD1 LEU 85 HD11 LEU 85 56.346 21.643 19.676 636 2HD1 LEU 85 HD12 LEU 85 55.543 21.331 21.232 637 3HD1 LEU 85 HD13 LEU 85 57.174 22.020 21.204 638 1HD2 LEU 85 HD21 LEU 85 56.408 17.938 20.213 639 2HD2 LEU 85 HD22 LEU 85 55.115 19.090 20.516 640 3HD2 LEU 85 HD23 LEU 85 56.030 19.192 18.998 641 H GLU 86 H GLU 86 58.295 16.283 20.415 642 HA GLU 86 HA GLU 86 59.500 15.791 23.079 643 1HB GLU 86 HB2 GLU 86 56.519 15.570 22.445 644 2HB GLU 86 HB3 GLU 86 57.297 14.920 23.891 645 1HG GLU 86 HG2 GLU 86 58.024 17.206 24.537 646 2HG GLU 86 HG3 GLU 86 57.119 17.856 23.168 647 H HIS 87 H HIS 87 58.143 13.283 23.454 648 HA HIS 87 HA HIS 87 59.508 11.468 21.716 649 1HB HIS 87 HB2 HIS 87 58.717 10.881 23.973 650 2HB HIS 87 HB3 HIS 87 57.040 11.068 23.451 651 HD1 HIS 87 HD1 HIS 87 60.077 8.744 22.796 652 HD2 HIS 87 HD2 HIS 87 55.914 9.005 22.221 653 HE1 HIS 87 HE1 HIS 87 59.334 6.471 21.910 654 H HIS 88 H HIS 88 58.985 10.555 19.812 655 HA HIS 88 HA HIS 88 56.347 10.800 18.541 656 1HB HIS 88 HB2 HIS 88 57.172 12.140 16.668 657 2HB HIS 88 HB3 HIS 88 57.373 13.015 18.171 658 HD1 HIS 88 HD1 HIS 88 59.935 13.369 19.038 659 HD2 HIS 88 HD2 HIS 88 59.395 11.529 15.284 660 HE1 HIS 88 HE1 HIS 88 62.216 13.397 17.885 661 H HIS 89 H HIS 89 56.657 10.092 16.121 662 HA HIS 89 HA HIS 89 58.746 8.073 15.660 663 1HB HIS 89 HB2 HIS 89 56.950 6.806 16.780 664 2HB HIS 89 HB3 HIS 89 55.768 7.433 15.635 665 HD1 HIS 89 HD1 HIS 89 58.959 5.190 15.497 666 HD2 HIS 89 HD2 HIS 89 55.295 5.948 13.573 667 HE1 HIS 89 HE1 HIS 89 58.735 3.435 13.660 668 H HIS 90 H HIS 90 58.737 7.371 13.366 669 HA HIS 90 HA HIS 90 57.449 9.199 11.425 670 1HB HIS 90 HB2 HIS 90 59.538 10.316 12.257 671 2HB HIS 90 HB3 HIS 90 60.473 8.916 11.740 672 HD1 HIS 90 HD1 HIS 90 58.581 11.937 10.321 673 HD2 HIS 90 HD2 HIS 90 61.078 8.763 9.125 674 HE1 HIS 90 HE1 HIS 90 59.240 12.416 7.906 675 H HIS 91 H HIS 91 57.046 8.184 9.525 676 HA HIS 91 HA HIS 91 57.430 5.386 9.134 677 1HB HIS 91 HB2 HIS 91 56.693 5.971 6.762 678 2HB HIS 91 HB3 HIS 91 55.597 6.341 8.080 679 HD1 HIS 91 HD1 HIS 91 58.444 8.773 7.135 680 HD2 HIS 91 HD2 HIS 91 54.280 8.269 6.822 681 HE1 HIS 91 HE1 HIS 91 57.507 11.017 6.348 682 H HIS 92 H HIS 92 59.049 4.209 8.331 683 HA HIS 92 HA HIS 92 61.088 5.276 6.524 684 1HB HIS 92 HB2 HIS 92 62.969 4.786 7.980 685 2HB HIS 92 HB3 HIS 92 61.939 6.003 8.711 686 HD1 HIS 92 HD1 HIS 92 60.458 5.142 10.893 687 HD2 HIS 92 HD2 HIS 92 63.397 2.556 9.344 688 HE1 HIS 92 HE1 HIS 92 60.906 3.396 12.704 Start of MODEL 17 1 1H MET 1 H1 MET 1 86.460 -4.291 17.064 2 2H MET 1 H2 MET 1 87.250 -4.702 15.692 3 3H MET 1 H3 MET 1 88.069 -4.026 16.939 4 HA MET 1 HA MET 1 86.872 -1.957 16.694 5 1HB MET 1 HB2 MET 1 89.017 -2.226 15.509 6 2HB MET 1 HB3 MET 1 88.183 -2.913 14.109 7 1HG MET 1 HG2 MET 1 86.974 -0.779 13.779 8 2HG MET 1 HG3 MET 1 87.763 -0.104 15.211 9 1HE MET 1 HE1 MET 1 88.490 2.018 13.788 10 2HE MET 1 HE2 MET 1 89.332 1.910 12.227 11 3HE MET 1 HE3 MET 1 87.664 1.314 12.378 12 H SER 2 H SER 2 84.829 -1.275 16.422 13 HA SER 2 HA SER 2 82.838 -2.611 14.859 14 1HB SER 2 HB2 SER 2 82.879 0.257 15.880 15 2HB SER 2 HB3 SER 2 81.450 -0.665 15.375 16 HG SER 2 HG SER 2 81.760 -0.675 17.667 17 H ASN 3 H ASN 3 82.012 -2.228 12.822 18 HA ASN 3 HA ASN 3 83.535 -0.710 10.883 19 1HB ASN 3 HB2 ASN 3 81.801 -1.399 9.318 20 2HB ASN 3 HB3 ASN 3 82.280 -2.763 10.311 21 1HD2 ASN 3 HD22 ASN 3 79.621 -0.495 9.580 22 2HD2 ASN 3 HD21 ASN 3 78.427 -1.445 10.448 23 HA PRO 4 HA PRO 4 81.349 3.214 11.221 24 1HB PRO 4 HB2 PRO 4 81.580 4.259 8.710 25 2HB PRO 4 HB3 PRO 4 82.986 4.061 9.800 26 1HG PRO 4 HG2 PRO 4 82.080 2.220 7.567 27 2HG PRO 4 HG3 PRO 4 83.731 2.842 7.888 28 1HD PRO 4 HD2 PRO 4 82.878 0.376 8.709 29 2HD PRO 4 HD3 PRO 4 84.052 1.321 9.657 30 HA PRO 5 HA PRO 5 77.183 2.436 9.709 31 1HB PRO 5 HB2 PRO 5 76.083 4.939 9.577 32 2HB PRO 5 HB3 PRO 5 76.472 4.125 11.126 33 1HG PRO 5 HG2 PRO 5 78.130 6.173 9.622 34 2HG PRO 5 HG3 PRO 5 77.715 6.150 11.367 35 1HD PRO 5 HD2 PRO 5 80.098 5.216 10.423 36 2HD PRO 5 HD3 PRO 5 79.276 4.441 11.809 37 H THR 6 H THR 6 75.792 2.680 7.883 38 HA THR 6 HA THR 6 76.763 4.129 5.475 39 HB THR 6 HB THR 6 76.339 2.240 4.043 40 HG1 THR 6 HG1 THR 6 76.129 0.173 4.931 41 1HG2 THR 6 HG21 THR 6 78.344 0.950 4.448 42 2HG2 THR 6 HG22 THR 6 78.658 2.649 4.833 43 3HG2 THR 6 HG23 THR 6 78.403 1.475 6.144 44 HA PRO 7 HA PRO 7 72.717 5.443 4.748 45 1HB PRO 7 HB2 PRO 7 72.979 4.326 1.950 46 2HB PRO 7 HB3 PRO 7 72.441 5.953 2.479 47 1HG PRO 7 HG2 PRO 7 74.962 5.588 1.543 48 2HG PRO 7 HG3 PRO 7 74.669 6.623 2.980 49 1HD PRO 7 HD2 PRO 7 75.627 3.759 2.876 50 2HD PRO 7 HD3 PRO 7 76.214 5.091 3.863 51 H LEU 8 H LEU 8 70.528 4.894 4.379 52 HA LEU 8 HA LEU 8 69.828 1.986 4.250 53 1HB LEU 8 HB2 LEU 8 68.569 4.176 5.942 54 2HB LEU 8 HB3 LEU 8 67.971 2.524 5.811 55 HG LEU 8 HG LEU 8 70.648 3.334 7.020 56 1HD1 LEU 8 HD11 LEU 8 68.695 3.940 8.391 57 2HD1 LEU 8 HD12 LEU 8 68.072 2.282 8.267 58 3HD1 LEU 8 HD13 LEU 8 69.595 2.606 9.129 59 1HD2 LEU 8 HD21 LEU 8 70.707 0.949 7.798 60 2HD2 LEU 8 HD22 LEU 8 69.316 0.600 6.744 61 3HD2 LEU 8 HD23 LEU 8 70.869 1.104 6.052 62 H LEU 9 H LEU 9 70.051 3.696 2.011 63 HA LEU 9 HA LEU 9 67.669 4.972 1.225 64 1HB LEU 9 HB2 LEU 9 70.029 5.298 0.391 65 2HB LEU 9 HB3 LEU 9 69.865 3.808 -0.535 66 HG LEU 9 HG LEU 9 68.081 4.855 -1.912 67 1HD1 LEU 9 HD11 LEU 9 67.710 7.320 -1.730 68 2HD1 LEU 9 HD12 LEU 9 67.090 6.447 -0.325 69 3HD1 LEU 9 HD13 LEU 9 68.628 7.334 -0.212 70 1HD2 LEU 9 HD21 LEU 9 70.433 5.063 -2.600 71 2HD2 LEU 9 HD22 LEU 9 69.510 6.510 -3.050 72 3HD2 LEU 9 HD23 LEU 9 70.592 6.557 -1.647 73 H ALA 10 H ALA 10 68.267 1.581 1.251 74 HA ALA 10 HA ALA 10 65.584 1.074 0.197 75 1HB ALA 10 HB1 ALA 10 68.045 -0.279 -1.011 76 2HB ALA 10 HB2 ALA 10 66.349 -0.673 -1.377 77 3HB ALA 10 HB3 ALA 10 67.007 0.907 -1.834 78 H ASP 11 H ASP 11 64.840 -1.125 0.704 79 HA ASP 11 HA ASP 11 65.368 -1.909 3.364 80 1HB ASP 11 HB2 ASP 11 64.076 -3.458 1.084 81 2HB ASP 11 HB3 ASP 11 64.024 -3.941 2.778 82 H TYR 12 H TYR 12 66.972 -3.000 0.435 83 HA TYR 12 HA TYR 12 68.218 -5.369 1.357 84 1HB TYR 12 HB2 TYR 12 69.363 -3.300 -0.548 85 2HB TYR 12 HB3 TYR 12 69.784 -5.004 -0.465 86 HD1 TYR 12 HD1 TYR 12 67.909 -2.651 -2.272 87 HD2 TYR 12 HD2 TYR 12 67.644 -6.666 -0.704 88 HE1 TYR 12 HE1 TYR 12 66.118 -3.175 -3.917 89 HE2 TYR 12 HE2 TYR 12 65.852 -7.187 -2.358 90 HH TYR 12 HH TYR 12 64.665 -4.758 -4.713 91 H GLU 13 H GLU 13 68.848 -2.084 2.322 92 HA GLU 13 HA GLU 13 71.517 -2.707 3.462 93 1HB GLU 13 HB2 GLU 13 69.901 -0.143 3.594 94 2HB GLU 13 HB3 GLU 13 71.607 -0.351 3.979 95 1HG GLU 13 HG2 GLU 13 70.297 -0.485 1.235 96 2HG GLU 13 HG3 GLU 13 71.396 0.743 1.829 97 H TRP 14 H TRP 14 68.340 -3.149 4.469 98 HA TRP 14 HA TRP 14 68.982 -2.767 7.372 99 1HB TRP 14 HB2 TRP 14 67.508 -1.030 6.204 100 2HB TRP 14 HB3 TRP 14 66.298 -2.291 6.049 101 HD1 TRP 14 HD1 TRP 14 68.139 -0.185 8.670 102 HE1 TRP 14 HE1 TRP 14 66.774 -0.077 10.836 103 HE3 TRP 14 HE3 TRP 14 64.442 -3.521 7.463 104 HZ2 TRP 14 HZ2 TRP 14 64.408 -1.308 11.930 105 HZ3 TRP 14 HZ3 TRP 14 62.656 -4.054 9.109 106 HH2 TRP 14 HH2 TRP 14 62.634 -2.968 11.337 107 H SER 15 H SER 15 68.288 -5.137 5.131 108 HA SER 15 HA SER 15 66.305 -6.749 6.208 109 1HB SER 15 HB2 SER 15 67.397 -8.601 4.999 110 2HB SER 15 HB3 SER 15 67.270 -7.121 4.031 111 HG SER 15 HG SER 15 69.361 -8.097 3.891 112 H GLY 16 H GLY 16 69.572 -6.421 7.460 113 1HA GLY 16 HA2 GLY 16 69.681 -8.718 9.168 114 2HA GLY 16 HA3 GLY 16 70.560 -7.184 9.380 115 H TYR 17 H TYR 17 68.105 -5.598 9.620 116 HA TYR 17 HA TYR 17 67.335 -6.190 12.431 117 1HB TYR 17 HB2 TYR 17 66.581 -3.914 10.576 118 2HB TYR 17 HB3 TYR 17 66.141 -4.029 12.269 119 HD1 TYR 17 HD1 TYR 17 68.734 -3.083 9.901 120 HD2 TYR 17 HD2 TYR 17 67.922 -3.907 14.057 121 HE1 TYR 17 HE1 TYR 17 70.834 -1.906 10.541 122 HE2 TYR 17 HE2 TYR 17 70.022 -2.722 14.699 123 HH TYR 17 HH TYR 17 72.194 -1.239 12.262 124 H LEU 18 H LEU 18 65.909 -6.167 9.186 125 HA LEU 18 HA LEU 18 63.225 -6.465 9.848 126 1HB LEU 18 HB2 LEU 18 64.223 -5.999 7.592 127 2HB LEU 18 HB3 LEU 18 64.695 -7.695 7.488 128 HG LEU 18 HG LEU 18 62.327 -8.385 7.453 129 1HD1 LEU 18 HD11 LEU 18 60.553 -6.697 7.111 130 2HD1 LEU 18 HD12 LEU 18 61.274 -6.533 8.711 131 3HD1 LEU 18 HD13 LEU 18 61.719 -5.395 7.413 132 1HD2 LEU 18 HD21 LEU 18 63.019 -6.226 5.421 133 2HD2 LEU 18 HD22 LEU 18 63.534 -7.927 5.357 134 3HD2 LEU 18 HD23 LEU 18 61.817 -7.519 5.214 135 H THR 19 H THR 19 65.688 -8.819 10.156 136 HA THR 19 HA THR 19 64.595 -11.331 10.256 137 HB THR 19 HB THR 19 66.954 -10.538 10.711 138 HG1 THR 19 HG1 THR 19 67.401 -12.275 12.047 139 1HG2 THR 19 HG21 THR 19 66.061 -10.326 13.621 140 2HG2 THR 19 HG22 THR 19 67.648 -9.955 12.926 141 3HG2 THR 19 HG23 THR 19 66.248 -8.915 12.567 142 H GLY 20 H GLY 20 63.951 -8.817 12.646 143 1HA GLY 20 HA2 GLY 20 61.824 -10.273 14.015 144 2HA GLY 20 HA3 GLY 20 63.338 -10.279 14.933 145 H ILE 21 H ILE 21 64.370 -7.750 14.554 146 HA ILE 21 HA ILE 21 62.780 -5.893 16.046 147 HB ILE 21 HB ILE 21 64.859 -5.181 13.944 148 1HG1 ILE 21 HG12 ILE 21 65.950 -6.820 15.354 149 2HG1 ILE 21 HG13 ILE 21 66.582 -5.227 15.705 150 1HG2 ILE 21 HG21 ILE 21 63.669 -3.238 14.752 151 2HG2 ILE 21 HG22 ILE 21 63.905 -3.721 16.440 152 3HG2 ILE 21 HG23 ILE 21 65.292 -3.228 15.442 153 1HD1 ILE 21 HD11 ILE 21 64.556 -6.730 17.427 154 2HD1 ILE 21 HD12 ILE 21 66.285 -6.535 17.756 155 3HD1 ILE 21 HD13 ILE 21 65.225 -5.118 17.784 156 H GLY 22 H GLY 22 63.086 -6.601 12.665 157 1HA GLY 22 HA2 GLY 22 61.629 -5.076 11.072 158 2HA GLY 22 HA3 GLY 22 61.517 -6.844 11.129 159 H ARG 23 H ARG 23 60.113 -7.071 13.610 160 HA ARG 23 HA ARG 23 57.430 -5.885 12.966 161 1HB ARG 23 HB2 ARG 23 56.343 -7.877 13.682 162 2HB ARG 23 HB3 ARG 23 57.499 -8.268 12.415 163 1HG ARG 23 HG2 ARG 23 59.044 -9.250 14.007 164 2HG ARG 23 HG3 ARG 23 58.094 -8.660 15.393 165 1HD ARG 23 HD2 ARG 23 56.203 -10.051 14.754 166 2HD ARG 23 HD3 ARG 23 57.050 -10.558 13.278 167 HE ARG 23 HE ARG 23 58.327 -11.160 15.893 168 1HH1 ARG 23 HH21 ARG 23 56.539 -12.516 13.148 169 2HH1 ARG 23 HH22 ARG 23 57.155 -14.124 13.511 170 1HH2 ARG 23 HH11 ARG 23 58.946 -13.305 16.242 171 2HH2 ARG 23 HH12 ARG 23 58.371 -14.534 15.134 172 H ALA 24 H ALA 24 59.763 -5.368 15.161 173 HA ALA 24 HA ALA 24 58.019 -5.205 17.515 174 1HB ALA 24 HB1 ALA 24 59.947 -4.010 18.528 175 2HB ALA 24 HB2 ALA 24 60.512 -5.485 17.720 176 3HB ALA 24 HB3 ALA 24 60.737 -3.900 16.941 177 H PHE 25 H PHE 25 58.356 -3.348 14.689 178 HA PHE 25 HA PHE 25 57.121 -0.968 15.820 179 1HB PHE 25 HB2 PHE 25 57.497 -1.864 12.925 180 2HB PHE 25 HB3 PHE 25 56.983 -0.261 13.432 181 HD1 PHE 25 HD1 PHE 25 58.555 1.270 14.631 182 HD2 PHE 25 HD2 PHE 25 59.858 -2.521 13.034 183 HE1 PHE 25 HE1 PHE 25 60.924 1.987 14.854 184 HE2 PHE 25 HE2 PHE 25 62.221 -1.811 13.293 185 HZ PHE 25 HZ PHE 25 62.761 0.444 14.189 186 H ASP 26 H ASP 26 55.958 -3.936 15.574 187 HA ASP 26 HA ASP 26 53.108 -3.229 15.066 188 1HB ASP 26 HB2 ASP 26 54.660 -5.713 14.207 189 2HB ASP 26 HB3 ASP 26 52.925 -5.486 14.018 190 H ASP 27 H ASP 27 54.558 -3.265 17.576 191 HA ASP 27 HA ASP 27 54.777 -5.615 18.950 192 1HB ASP 27 HB2 ASP 27 55.665 -3.401 19.551 193 2HB ASP 27 HB3 ASP 27 54.056 -2.898 20.087 194 H GLY 28 H GLY 28 51.671 -4.112 18.369 195 1HA GLY 28 HA2 GLY 28 50.296 -5.900 20.335 196 2HA GLY 28 HA3 GLY 28 49.574 -4.553 19.450 197 H VAL 29 H VAL 29 51.330 -6.234 17.193 198 HA VAL 29 HA VAL 29 49.235 -8.278 16.617 199 HB VAL 29 HB VAL 29 50.496 -6.815 14.305 200 1HG1 VAL 29 HG11 VAL 29 48.232 -7.439 13.308 201 2HG1 VAL 29 HG12 VAL 29 49.219 -8.815 13.786 202 3HG1 VAL 29 HG13 VAL 29 47.885 -8.308 14.830 203 1HG2 VAL 29 HG21 VAL 29 48.538 -5.302 14.171 204 2HG2 VAL 29 HG22 VAL 29 48.043 -5.820 15.800 205 3HG2 VAL 29 HG23 VAL 29 49.577 -4.949 15.552 206 H LYS 30 H LYS 30 52.587 -7.625 16.945 207 HA LYS 30 HA LYS 30 53.790 -9.629 15.455 208 1HB LYS 30 HB2 LYS 30 55.549 -9.686 17.086 209 2HB LYS 30 HB3 LYS 30 54.970 -8.024 16.958 210 1HG LYS 30 HG2 LYS 30 53.617 -8.376 19.042 211 2HG LYS 30 HG3 LYS 30 54.264 -10.018 19.167 212 1HD LYS 30 HD2 LYS 30 56.559 -9.124 19.377 213 2HD LYS 30 HD3 LYS 30 55.922 -7.471 19.277 214 1HE LYS 30 HE2 LYS 30 54.438 -8.017 21.269 215 2HE LYS 30 HE3 LYS 30 55.281 -9.567 21.406 216 1HZ LYS 30 HZ1 LYS 30 56.288 -7.966 22.878 217 2HZ LYS 30 HZ2 LYS 30 57.370 -8.234 21.681 218 3HZ LYS 30 HZ3 LYS 30 56.457 -6.858 21.696 219 H ASP 31 H ASP 31 51.714 -10.060 18.216 220 HA ASP 31 HA ASP 31 52.005 -12.815 18.778 221 1HB ASP 31 HB2 ASP 31 50.703 -11.089 20.076 222 2HB ASP 31 HB3 ASP 31 49.503 -11.056 18.785 223 H LEU 32 H LEU 32 49.716 -11.248 16.533 224 HA LEU 32 HA LEU 32 48.589 -13.706 15.543 225 1HB LEU 32 HB2 LEU 32 47.816 -11.112 15.656 226 2HB LEU 32 HB3 LEU 32 48.493 -11.092 14.048 227 HG LEU 32 HG LEU 32 46.216 -12.846 15.100 228 1HD1 LEU 32 HD11 LEU 32 46.299 -10.550 13.096 229 2HD1 LEU 32 HD12 LEU 32 44.861 -11.521 13.488 230 3HD1 LEU 32 HD13 LEU 32 45.610 -10.509 14.730 231 1HD2 LEU 32 HD21 LEU 32 47.528 -12.817 12.370 232 2HD2 LEU 32 HD22 LEU 32 47.304 -14.204 13.452 233 3HD2 LEU 32 HD23 LEU 32 45.902 -13.483 12.661 234 H ASN 33 H ASN 33 51.148 -11.507 14.491 235 HA ASN 33 HA ASN 33 51.747 -12.848 11.998 236 1HB ASN 33 HB2 ASN 33 52.444 -10.514 12.552 237 2HB ASN 33 HB3 ASN 33 53.564 -11.156 13.759 238 1HD2 ASN 33 HD22 ASN 33 52.827 -11.216 10.226 239 2HD2 ASN 33 HD21 ASN 33 54.491 -11.549 9.782 240 H LYS 34 H LYS 34 52.901 -13.387 15.327 241 HA LYS 34 HA LYS 34 54.705 -15.547 14.646 242 1HB LYS 34 HB2 LYS 34 54.857 -14.176 16.707 243 2HB LYS 34 HB3 LYS 34 53.367 -14.917 17.307 244 1HG LYS 34 HG2 LYS 34 54.471 -17.138 17.309 245 2HG LYS 34 HG3 LYS 34 55.945 -16.409 16.636 246 1HD LYS 34 HD2 LYS 34 56.157 -14.980 18.657 247 2HD LYS 34 HD3 LYS 34 54.676 -15.702 19.323 248 1HE LYS 34 HE2 LYS 34 55.760 -17.944 19.276 249 2HE LYS 34 HE3 LYS 34 57.237 -17.214 18.633 250 1HZ LYS 34 HZ1 LYS 34 56.040 -16.584 21.281 251 2HZ LYS 34 HZ2 LYS 34 57.367 -17.499 21.041 252 3HZ LYS 34 HZ3 LYS 34 57.405 -15.907 20.688 253 H GLN 35 H GLN 35 51.266 -15.513 15.593 254 HA GLN 35 HA GLN 35 50.834 -18.358 15.530 255 1HB GLN 35 HB2 GLN 35 48.973 -16.056 14.788 256 2HB GLN 35 HB3 GLN 35 48.484 -17.742 14.828 257 1HG GLN 35 HG2 GLN 35 48.954 -17.886 17.213 258 2HG GLN 35 HG3 GLN 35 49.536 -16.217 17.244 259 1HE2 GLN 35 HE22 GLN 35 47.914 -14.816 18.148 260 2HE2 GLN 35 HE21 GLN 35 46.209 -15.066 17.819 261 H LEU 36 H LEU 36 50.776 -15.927 12.944 262 HA LEU 36 HA LEU 36 50.165 -17.749 10.798 263 1HB LEU 36 HB2 LEU 36 49.719 -15.328 10.885 264 2HB LEU 36 HB3 LEU 36 51.452 -15.036 10.702 265 HG LEU 36 HG LEU 36 51.450 -16.165 8.522 266 1HD1 LEU 36 HD11 LEU 36 49.294 -16.667 7.382 267 2HD1 LEU 36 HD12 LEU 36 49.680 -17.847 8.655 268 3HD1 LEU 36 HD13 LEU 36 48.470 -16.580 8.932 269 1HD2 LEU 36 HD21 LEU 36 50.839 -13.744 8.845 270 2HD2 LEU 36 HD22 LEU 36 50.066 -14.430 7.413 271 3HD2 LEU 36 HD23 LEU 36 49.134 -14.252 8.905 272 H GLN 37 H GLN 37 53.279 -16.484 12.024 273 HA GLN 37 HA GLN 37 54.930 -17.868 10.131 274 1HB GLN 37 HB2 GLN 37 55.637 -15.961 11.583 275 2HB GLN 37 HB3 GLN 37 55.484 -16.998 13.008 276 1HG GLN 37 HG2 GLN 37 57.318 -18.438 12.170 277 2HG GLN 37 HG3 GLN 37 57.409 -17.463 10.697 278 1HE2 GLN 37 HE22 GLN 37 59.664 -16.928 11.161 279 2HE2 GLN 37 HE21 GLN 37 60.039 -15.773 12.431 280 H ASP 38 H ASP 38 53.523 -18.892 13.248 281 HA ASP 38 HA ASP 38 54.717 -21.515 13.233 282 1HB ASP 38 HB2 ASP 38 53.718 -20.461 15.242 283 2HB ASP 38 HB3 ASP 38 52.118 -20.617 14.520 284 H ALA 39 H ALA 39 51.655 -20.267 11.841 285 HA ALA 39 HA ALA 39 50.797 -22.731 10.698 286 1HB ALA 39 HB1 ALA 39 49.681 -20.217 10.626 287 2HB ALA 39 HB2 ALA 39 50.392 -20.274 9.017 288 3HB ALA 39 HB3 ALA 39 49.262 -21.554 9.471 289 H GLN 40 H GLN 40 52.949 -20.235 9.441 290 HA GLN 40 HA GLN 40 53.548 -21.481 6.941 291 1HB GLN 40 HB2 GLN 40 53.886 -19.006 7.788 292 2HB GLN 40 HB3 GLN 40 55.401 -19.593 8.460 293 1HG GLN 40 HG2 GLN 40 56.152 -20.324 6.218 294 2HG GLN 40 HG3 GLN 40 54.612 -19.821 5.519 295 1HE2 GLN 40 HE22 GLN 40 57.806 -18.808 6.043 296 2HE2 GLN 40 HE21 GLN 40 57.525 -17.083 5.856 297 H ALA 41 H ALA 41 54.901 -22.024 10.167 298 HA ALA 41 HA ALA 41 57.008 -23.809 9.119 299 1HB ALA 41 HB1 ALA 41 57.398 -22.505 11.152 300 2HB ALA 41 HB2 ALA 41 56.070 -23.376 11.970 301 3HB ALA 41 HB3 ALA 41 57.524 -24.253 11.422 302 H ASN 42 H ASN 42 53.709 -24.329 10.461 303 HA ASN 42 HA ASN 42 53.935 -27.206 10.263 304 1HB ASN 42 HB2 ASN 42 51.369 -25.602 9.776 305 2HB ASN 42 HB3 ASN 42 51.549 -27.246 10.336 306 1HD2 ASN 42 HD22 ASN 42 53.365 -26.983 12.499 307 2HD2 ASN 42 HD21 ASN 42 52.569 -25.974 13.698 308 H LEU 43 H LEU 43 53.134 -24.588 8.002 309 HA LEU 43 HA LEU 43 52.909 -26.251 5.708 310 1HB LEU 43 HB2 LEU 43 52.189 -23.682 6.230 311 2HB LEU 43 HB3 LEU 43 53.776 -23.358 5.561 312 HG LEU 43 HG LEU 43 53.194 -24.665 3.565 313 1HD1 LEU 43 HD11 LEU 43 50.577 -24.654 5.104 314 2HD1 LEU 43 HD12 LEU 43 50.614 -24.905 3.317 315 3HD1 LEU 43 HD13 LEU 43 51.394 -26.072 4.351 316 1HD2 LEU 43 HD21 LEU 43 51.240 -22.416 4.118 317 2HD2 LEU 43 HD22 LEU 43 52.919 -22.215 3.524 318 3HD2 LEU 43 HD23 LEU 43 51.718 -23.072 2.529 319 H THR 44 H THR 44 55.739 -24.653 7.193 320 HA THR 44 HA THR 44 57.480 -25.189 5.023 321 HB THR 44 HB THR 44 58.116 -25.005 7.979 322 HG1 THR 44 HG1 THR 44 57.392 -23.118 6.808 323 1HG2 THR 44 HG21 THR 44 59.863 -26.286 7.112 324 2HG2 THR 44 HG22 THR 44 59.923 -25.342 5.597 325 3HG2 THR 44 HG23 THR 44 60.463 -24.613 7.155 326 H LYS 45 H LYS 45 56.517 -27.213 7.752 327 HA LYS 45 HA LYS 45 58.179 -29.497 7.148 328 1HB LYS 45 HB2 LYS 45 55.539 -29.182 8.608 329 2HB LYS 45 HB3 LYS 45 56.412 -30.715 8.475 330 1HG LYS 45 HG2 LYS 45 58.405 -29.595 9.560 331 2HG LYS 45 HG3 LYS 45 57.396 -28.164 9.803 332 1HD LYS 45 HD2 LYS 45 57.472 -29.405 11.851 333 2HD LYS 45 HD3 LYS 45 55.830 -29.504 11.197 334 1HE LYS 45 HE2 LYS 45 56.267 -31.771 10.347 335 2HE LYS 45 HE3 LYS 45 57.967 -31.656 10.822 336 1HZ LYS 45 HZ1 LYS 45 57.252 -31.539 13.142 337 2HZ LYS 45 HZ2 LYS 45 55.675 -31.619 12.717 338 3HZ LYS 45 HZ3 LYS 45 56.659 -32.893 12.455 339 H ASN 46 H ASN 46 55.061 -28.551 5.773 340 HA ASN 46 HA ASN 46 55.649 -30.201 3.482 341 1HB ASN 46 HB2 ASN 46 54.462 -31.709 5.046 342 2HB ASN 46 HB3 ASN 46 53.135 -30.575 5.032 343 1HD2 ASN 46 HD22 ASN 46 53.082 -33.405 4.206 344 2HD2 ASN 46 HD21 ASN 46 52.805 -33.463 2.471 345 HA PRO 47 HA PRO 47 54.593 -25.909 2.532 346 1HB PRO 47 HB2 PRO 47 55.521 -26.982 -0.103 347 2HB PRO 47 HB3 PRO 47 55.714 -25.328 0.611 348 1HG PRO 47 HG2 PRO 47 57.721 -27.165 0.830 349 2HG PRO 47 HG3 PRO 47 57.277 -26.119 2.218 350 1HD PRO 47 HD2 PRO 47 56.704 -29.020 1.822 351 2HD PRO 47 HD3 PRO 47 56.895 -28.089 3.307 352 H SER 48 H SER 48 53.156 -28.575 0.532 353 HA SER 48 HA SER 48 50.752 -26.933 0.618 354 1HB SER 48 HB2 SER 48 50.253 -27.641 -1.585 355 2HB SER 48 HB3 SER 48 51.892 -26.972 -1.514 356 HG SER 48 HG SER 48 51.805 -28.936 -2.754 357 H ASP 49 H ASP 49 51.472 -28.812 2.586 358 HA ASP 49 HA ASP 49 49.589 -31.038 2.480 359 1HB ASP 49 HB2 ASP 49 51.192 -31.212 4.105 360 2HB ASP 49 HB3 ASP 49 51.061 -29.613 4.723 361 HA PRO 50 HA PRO 50 46.308 -28.204 2.081 362 1HB PRO 50 HB2 PRO 50 44.134 -29.808 2.362 363 2HB PRO 50 HB3 PRO 50 45.233 -29.764 0.922 364 1HG PRO 50 HG2 PRO 50 45.191 -31.719 3.262 365 2HG PRO 50 HG3 PRO 50 45.356 -32.101 1.517 366 1HD PRO 50 HD2 PRO 50 47.507 -31.882 3.257 367 2HD PRO 50 HD3 PRO 50 47.621 -31.457 1.515 368 H THR 51 H THR 51 46.487 -29.994 5.119 369 HA THR 51 HA THR 51 44.494 -28.206 6.479 370 HB THR 51 HB THR 51 46.277 -30.458 7.320 371 HG1 THR 51 HG1 THR 51 44.269 -30.957 6.386 372 1HG2 THR 51 HG21 THR 51 46.412 -28.955 9.184 373 2HG2 THR 51 HG22 THR 51 44.657 -28.629 9.093 374 3HG2 THR 51 HG23 THR 51 45.254 -30.235 9.599 375 H ALA 52 H ALA 52 48.058 -28.701 6.280 376 HA ALA 52 HA ALA 52 48.758 -26.426 7.941 377 1HB ALA 52 HB1 ALA 52 50.893 -26.646 6.672 378 2HB ALA 52 HB2 ALA 52 50.331 -28.276 7.126 379 3HB ALA 52 HB3 ALA 52 50.104 -27.694 5.477 380 H LEU 53 H LEU 53 48.040 -26.667 4.500 381 HA LEU 53 HA LEU 53 48.447 -23.862 4.106 382 1HB LEU 53 HB2 LEU 53 48.785 -25.830 2.582 383 2HB LEU 53 HB3 LEU 53 47.055 -25.889 2.294 384 HG LEU 53 HG LEU 53 47.162 -24.112 0.816 385 1HD1 LEU 53 HD11 LEU 53 49.520 -23.039 2.371 386 2HD1 LEU 53 HD12 LEU 53 48.922 -22.342 0.851 387 3HD1 LEU 53 HD13 LEU 53 47.880 -22.340 2.299 388 1HD2 LEU 53 HD21 LEU 53 50.111 -24.888 0.962 389 2HD2 LEU 53 HD22 LEU 53 48.819 -25.900 0.196 390 3HD2 LEU 53 HD23 LEU 53 49.237 -24.303 -0.477 391 H ALA 54 H ALA 54 45.504 -25.861 4.624 392 HA ALA 54 HA ALA 54 43.612 -23.749 4.465 393 1HB ALA 54 HB1 ALA 54 42.275 -25.258 6.021 394 2HB ALA 54 HB2 ALA 54 42.902 -26.098 4.597 395 3HB ALA 54 HB3 ALA 54 43.705 -26.302 6.170 396 H ASN 55 H ASN 55 45.641 -24.900 7.148 397 HA ASN 55 HA ASN 55 44.651 -23.202 9.166 398 1HB ASN 55 HB2 ASN 55 45.978 -25.198 9.664 399 2HB ASN 55 HB3 ASN 55 47.322 -24.599 8.719 400 1HD2 ASN 55 HD22 ASN 55 48.967 -24.051 9.872 401 2HD2 ASN 55 HD21 ASN 55 48.878 -23.416 11.516 402 H TYR 56 H TYR 56 47.647 -22.929 7.244 403 HA TYR 56 HA TYR 56 48.260 -20.208 7.881 404 1HB TYR 56 HB2 TYR 56 49.895 -21.548 6.873 405 2HB TYR 56 HB3 TYR 56 48.853 -22.028 5.540 406 HD1 TYR 56 HD1 TYR 56 48.493 -20.485 3.628 407 HD2 TYR 56 HD2 TYR 56 51.337 -19.676 6.772 408 HE1 TYR 56 HE1 TYR 56 49.852 -19.110 2.052 409 HE2 TYR 56 HE2 TYR 56 52.684 -18.305 5.202 410 HH TYR 56 HH TYR 56 52.940 -17.582 3.036 411 H GLN 57 H GLN 57 46.075 -21.328 5.252 412 HA GLN 57 HA GLN 57 45.563 -18.625 4.386 413 1HB GLN 57 HB2 GLN 57 44.041 -21.222 4.031 414 2HB GLN 57 HB3 GLN 57 43.386 -19.699 3.453 415 1HG GLN 57 HG2 GLN 57 46.110 -20.786 2.639 416 2HG GLN 57 HG3 GLN 57 44.637 -20.976 1.697 417 1HE2 GLN 57 HE22 GLN 57 47.190 -19.579 0.963 418 2HE2 GLN 57 HE21 GLN 57 46.692 -17.935 0.591 419 H MET 58 H MET 58 43.933 -20.648 6.853 420 HA MET 58 HA MET 58 41.818 -18.798 7.421 421 1HB MET 58 HB2 MET 58 41.680 -21.139 7.920 422 2HB MET 58 HB3 MET 58 43.059 -21.067 9.018 423 1HG MET 58 HG2 MET 58 40.503 -19.511 9.463 424 2HG MET 58 HG3 MET 58 40.682 -21.172 9.996 425 1HE MET 58 HE1 MET 58 43.522 -21.518 11.224 426 2HE MET 58 HE2 MET 58 43.216 -21.045 12.907 427 3HE MET 58 HE3 MET 58 42.014 -22.012 12.027 428 H ILE 59 H ILE 59 44.989 -19.326 9.065 429 HA ILE 59 HA ILE 59 44.625 -17.185 10.938 430 HB ILE 59 HB ILE 59 47.066 -18.674 9.904 431 1HG1 ILE 59 HG12 ILE 59 45.509 -18.962 12.534 432 2HG1 ILE 59 HG13 ILE 59 45.386 -20.076 11.173 433 1HG2 ILE 59 HG21 ILE 59 46.878 -16.986 12.422 434 2HG2 ILE 59 HG22 ILE 59 48.304 -17.806 11.719 435 3HG2 ILE 59 HG23 ILE 59 47.607 -16.408 10.919 436 1HD1 ILE 59 HD11 ILE 59 47.749 -20.613 11.331 437 2HD1 ILE 59 HD12 ILE 59 47.918 -19.591 12.780 438 3HD1 ILE 59 HD13 ILE 59 46.868 -21.009 12.827 439 H MET 60 H MET 60 46.038 -17.386 7.649 440 HA MET 60 HA MET 60 46.949 -14.701 7.615 441 1HB MET 60 HB2 MET 60 47.598 -16.568 6.035 442 2HB MET 60 HB3 MET 60 46.108 -16.236 5.145 443 1HG MET 60 HG2 MET 60 46.922 -13.915 4.799 444 2HG MET 60 HG3 MET 60 48.275 -14.249 5.912 445 1HE MET 60 HE1 MET 60 50.256 -15.240 5.558 446 2HE MET 60 HE2 MET 60 49.678 -16.889 5.182 447 3HE MET 60 HE3 MET 60 50.877 -16.086 4.135 448 H SER 61 H SER 61 43.799 -16.091 6.762 449 HA SER 61 HA SER 61 42.558 -13.712 5.741 450 1HB SER 61 HB2 SER 61 41.374 -16.118 7.202 451 2HB SER 61 HB3 SER 61 40.422 -14.820 6.457 452 HG SER 61 HG SER 61 42.242 -16.602 5.188 453 H GLU 62 H GLU 62 42.783 -15.009 9.092 454 HA GLU 62 HA GLU 62 41.539 -12.718 10.326 455 1HB GLU 62 HB2 GLU 62 43.465 -14.831 11.406 456 2HB GLU 62 HB3 GLU 62 42.690 -13.612 12.413 457 1HG GLU 62 HG2 GLU 62 41.191 -15.694 10.758 458 2HG GLU 62 HG3 GLU 62 41.576 -15.844 12.466 459 H TYR 63 H TYR 63 44.960 -13.505 9.762 460 HA TYR 63 HA TYR 63 46.140 -11.253 10.968 461 1HB TYR 63 HB2 TYR 63 47.459 -13.162 10.203 462 2HB TYR 63 HB3 TYR 63 47.000 -12.884 8.541 463 HD1 TYR 63 HD1 TYR 63 48.676 -10.969 11.341 464 HD2 TYR 63 HD2 TYR 63 48.457 -11.864 7.123 465 HE1 TYR 63 HE1 TYR 63 50.690 -9.567 10.935 466 HE2 TYR 63 HE2 TYR 63 50.488 -10.513 6.723 467 HH TYR 63 HH TYR 63 52.192 -8.777 9.376 468 H ASN 64 H ASN 64 45.067 -11.624 7.595 469 HA ASN 64 HA ASN 64 46.063 -9.043 6.836 470 1HB ASN 64 HB2 ASN 64 45.803 -10.961 5.270 471 2HB ASN 64 HB3 ASN 64 44.048 -10.866 5.432 472 1HD2 ASN 64 HD22 ASN 64 46.933 -9.196 4.166 473 2HD2 ASN 64 HD21 ASN 64 46.025 -8.152 3.083 474 H LEU 65 H LEU 65 42.802 -10.199 7.713 475 HA LEU 65 HA LEU 65 41.424 -7.729 7.247 476 1HB LEU 65 HB2 LEU 65 40.303 -9.919 7.426 477 2HB LEU 65 HB3 LEU 65 40.806 -10.057 9.111 478 HG LEU 65 HG LEU 65 39.396 -8.096 9.705 479 1HD1 LEU 65 HD11 LEU 65 37.714 -7.277 8.060 480 2HD1 LEU 65 HD12 LEU 65 39.360 -6.856 7.586 481 3HD1 LEU 65 HD13 LEU 65 38.527 -8.207 6.782 482 1HD2 LEU 65 HD21 LEU 65 37.231 -9.210 9.431 483 2HD2 LEU 65 HD22 LEU 65 37.910 -10.264 8.170 484 3HD2 LEU 65 HD23 LEU 65 38.491 -10.382 9.846 485 H TYR 66 H TYR 66 42.816 -9.105 10.247 486 HA TYR 66 HA TYR 66 42.115 -6.858 11.892 487 1HB TYR 66 HB2 TYR 66 42.642 -9.181 12.676 488 2HB TYR 66 HB3 TYR 66 44.339 -8.886 12.314 489 HD1 TYR 66 HD1 TYR 66 45.723 -7.775 13.930 490 HD2 TYR 66 HD2 TYR 66 41.431 -7.680 14.349 491 HE1 TYR 66 HE1 TYR 66 45.961 -6.797 16.217 492 HE2 TYR 66 HE2 TYR 66 41.671 -6.684 16.618 493 HH TYR 66 HH TYR 66 43.121 -5.965 18.238 494 H ARG 67 H ARG 67 45.098 -7.649 10.108 495 HA ARG 67 HA ARG 67 46.566 -5.300 10.866 496 1HB ARG 67 HB2 ARG 67 47.591 -7.322 9.898 497 2HB ARG 67 HB3 ARG 67 46.840 -6.972 8.327 498 1HG ARG 67 HG2 ARG 67 48.132 -4.944 8.080 499 2HG ARG 67 HG3 ARG 67 48.632 -4.992 9.778 500 1HD ARG 67 HD2 ARG 67 49.825 -7.199 9.240 501 2HD ARG 67 HD3 ARG 67 49.498 -6.863 7.539 502 HE ARG 67 HE ARG 67 51.173 -5.246 7.548 503 1HH1 ARG 67 HH21 ARG 67 50.475 -5.971 10.943 504 2HH1 ARG 67 HH22 ARG 67 51.771 -4.882 11.456 505 1HH2 ARG 67 HH11 ARG 67 52.822 -3.934 8.443 506 2HH2 ARG 67 HH12 ARG 67 52.969 -3.899 10.203 507 H ASN 68 H ASN 68 44.398 -5.859 8.033 508 HA ASN 68 HA ASN 68 44.601 -3.223 6.964 509 1HB ASN 68 HB2 ASN 68 43.569 -5.107 5.756 510 2HB ASN 68 HB3 ASN 68 42.273 -5.189 6.949 511 1HD2 ASN 68 HD22 ASN 68 43.646 -3.219 4.311 512 2HD2 ASN 68 HD21 ASN 68 42.180 -2.281 4.071 513 H ALA 69 H ALA 69 42.374 -4.422 9.480 514 HA ALA 69 HA ALA 69 41.130 -1.907 9.801 515 1HB ALA 69 HB1 ALA 69 40.167 -4.037 10.620 516 2HB ALA 69 HB2 ALA 69 41.462 -4.174 11.831 517 3HB ALA 69 HB3 ALA 69 40.275 -2.857 11.942 518 H GLN 70 H GLN 70 44.020 -3.228 11.465 519 HA GLN 70 HA GLN 70 44.481 -0.945 13.145 520 1HB GLN 70 HB2 GLN 70 45.492 -3.144 13.541 521 2HB GLN 70 HB3 GLN 70 46.376 -3.049 12.020 522 1HG GLN 70 HG2 GLN 70 47.857 -2.587 13.882 523 2HG GLN 70 HG3 GLN 70 47.712 -1.154 12.878 524 1HE2 GLN 70 HE22 GLN 70 46.355 0.665 13.724 525 2HE2 GLN 70 HE21 GLN 70 46.143 0.787 15.473 526 H SER 71 H SER 71 45.643 -1.717 9.825 527 HA SER 71 HA SER 71 47.287 0.544 9.446 528 1HB SER 71 HB2 SER 71 45.736 -1.142 7.463 529 2HB SER 71 HB3 SER 71 46.841 0.161 6.990 530 HG SER 71 HG SER 71 47.901 -1.870 7.054 531 H SER 72 H SER 72 43.719 0.293 8.995 532 HA SER 72 HA SER 72 43.320 2.799 7.764 533 1HB SER 72 HB2 SER 72 41.535 1.358 9.757 534 2HB SER 72 HB3 SER 72 41.043 2.726 8.739 535 HG SER 72 HG SER 72 40.508 0.698 7.791 536 H ALA 73 H ALA 73 44.042 2.169 11.188 537 HA ALA 73 HA ALA 73 43.560 4.976 11.959 538 1HB ALA 73 HB1 ALA 73 44.842 2.652 13.463 539 2HB ALA 73 HB2 ALA 73 44.393 4.227 14.149 540 3HB ALA 73 HB3 ALA 73 43.132 3.133 13.549 541 H VAL 74 H VAL 74 46.400 2.871 11.364 542 HA VAL 74 HA VAL 74 48.419 4.805 11.934 543 HB VAL 74 HB VAL 74 48.318 2.221 10.348 544 1HG1 VAL 74 HG11 VAL 74 50.151 3.430 9.419 545 2HG1 VAL 74 HG12 VAL 74 50.748 3.886 11.038 546 3HG1 VAL 74 HG13 VAL 74 50.784 2.183 10.500 547 1HG2 VAL 74 HG21 VAL 74 47.988 2.050 12.817 548 2HG2 VAL 74 HG22 VAL 74 49.507 1.310 12.302 549 3HG2 VAL 74 HG23 VAL 74 49.517 2.913 13.068 550 H LYS 75 H LYS 75 46.577 4.169 8.969 551 HA LYS 75 HA LYS 75 47.952 5.718 7.089 552 1HB LYS 75 HB2 LYS 75 45.988 4.324 6.602 553 2HB LYS 75 HB3 LYS 75 44.961 5.402 7.536 554 1HG LYS 75 HG2 LYS 75 44.643 5.773 5.161 555 2HG LYS 75 HG3 LYS 75 45.287 7.212 5.925 556 1HD LYS 75 HD2 LYS 75 46.321 6.909 3.770 557 2HD LYS 75 HD3 LYS 75 47.556 6.677 5.008 558 1HE LYS 75 HE2 LYS 75 47.348 4.217 4.776 559 2HE LYS 75 HE3 LYS 75 46.027 4.425 3.620 560 1HZ LYS 75 HZ1 LYS 75 47.591 5.530 2.117 561 2HZ LYS 75 HZ2 LYS 75 48.822 5.339 3.177 562 3HZ LYS 75 HZ3 LYS 75 48.130 4.035 2.480 563 H SER 76 H SER 76 45.976 6.899 9.783 564 HA SER 76 HA SER 76 45.762 9.635 9.061 565 1HB SER 76 HB2 SER 76 44.629 8.390 10.968 566 2HB SER 76 HB3 SER 76 46.144 8.551 11.874 567 HG SER 76 HG SER 76 44.630 10.254 12.300 568 H MET 77 H MET 77 48.521 7.849 10.378 569 HA MET 77 HA MET 77 50.143 10.330 10.691 570 1HB MET 77 HB2 MET 77 50.768 7.429 11.386 571 2HB MET 77 HB3 MET 77 51.792 8.828 11.730 572 1HG MET 77 HG2 MET 77 49.017 8.309 12.866 573 2HG MET 77 HG3 MET 77 50.547 8.111 13.711 574 1HE MET 77 HE1 MET 77 48.794 11.137 15.522 575 2HE MET 77 HE2 MET 77 47.995 9.733 14.778 576 3HE MET 77 HE3 MET 77 49.490 9.513 15.718 577 H LYS 78 H LYS 78 50.090 7.276 8.775 578 HA LYS 78 HA LYS 78 52.483 7.845 7.280 579 1HB LYS 78 HB2 LYS 78 50.068 6.114 6.642 580 2HB LYS 78 HB3 LYS 78 51.474 6.253 5.580 581 1HG LYS 78 HG2 LYS 78 52.962 5.523 7.417 582 2HG LYS 78 HG3 LYS 78 51.559 5.301 8.475 583 1HD LYS 78 HD2 LYS 78 50.637 3.602 6.964 584 2HD LYS 78 HD3 LYS 78 51.953 3.846 5.811 585 1HE LYS 78 HE2 LYS 78 52.363 2.922 8.692 586 2HE LYS 78 HE3 LYS 78 52.158 1.816 7.331 587 1HZ LYS 78 HZ1 LYS 78 54.361 3.796 7.579 588 2HZ LYS 78 HZ2 LYS 78 54.501 2.186 7.789 589 3HZ LYS 78 HZ3 LYS 78 54.147 2.781 6.314 590 H ASP 79 H ASP 79 49.150 8.956 6.726 591 HA ASP 79 HA ASP 79 49.540 10.166 4.190 592 1HB ASP 79 HB2 ASP 79 47.368 9.862 5.311 593 2HB ASP 79 HB3 ASP 79 47.817 11.057 6.533 594 H ILE 80 H ILE 80 50.697 11.218 7.356 595 HA ILE 80 HA ILE 80 51.588 13.863 6.403 596 HB ILE 80 HB ILE 80 52.307 12.416 8.983 597 1HG1 ILE 80 HG12 ILE 80 50.104 14.482 8.552 598 2HG1 ILE 80 HG13 ILE 80 49.831 12.757 8.794 599 1HG2 ILE 80 HG21 ILE 80 52.970 14.642 9.779 600 2HG2 ILE 80 HG22 ILE 80 53.861 14.247 8.322 601 3HG2 ILE 80 HG23 ILE 80 52.484 15.365 8.229 602 1HD1 ILE 80 HD11 ILE 80 50.984 14.673 10.842 603 2HD1 ILE 80 HD12 ILE 80 49.430 13.830 10.877 604 3HD1 ILE 80 HD13 ILE 80 50.933 12.901 11.033 605 H ASP 81 H ASP 81 53.117 10.812 7.459 606 HA ASP 81 HA ASP 81 55.776 11.617 6.975 607 1HB ASP 81 HB2 ASP 81 55.039 9.749 8.437 608 2HB ASP 81 HB3 ASP 81 54.639 8.798 7.005 609 H SER 82 H SER 82 53.614 9.849 4.763 610 HA SER 82 HA SER 82 55.573 9.308 2.749 611 1HB SER 82 HB2 SER 82 52.541 9.428 2.605 612 2HB SER 82 HB3 SER 82 53.585 8.839 1.298 613 HG SER 82 HG SER 82 52.832 7.140 2.659 614 H SER 83 H SER 83 54.419 12.371 3.549 615 HA SER 83 HA SER 83 54.358 13.569 0.902 616 1HB SER 83 HB2 SER 83 54.500 15.689 2.042 617 2HB SER 83 HB3 SER 83 53.319 14.657 2.856 618 HG SER 83 HG SER 83 54.675 14.380 4.540 619 H ILE 84 H ILE 84 56.952 12.377 2.835 620 HA ILE 84 HA ILE 84 59.066 14.082 2.052 621 HB ILE 84 HB ILE 84 59.003 12.379 3.919 622 1HG1 ILE 84 HG12 ILE 84 61.359 11.742 3.859 623 2HG1 ILE 84 HG13 ILE 84 61.482 12.192 2.161 624 1HG2 ILE 84 HG21 ILE 84 59.603 10.075 3.526 625 2HG2 ILE 84 HG22 ILE 84 58.172 10.443 2.557 626 3HG2 ILE 84 HG23 ILE 84 59.766 10.343 1.783 627 1HD1 ILE 84 HD11 ILE 84 62.363 13.912 3.774 628 2HD1 ILE 84 HD12 ILE 84 61.094 14.555 2.726 629 3HD1 ILE 84 HD13 ILE 84 60.725 14.116 4.413 630 H LEU 85 H LEU 85 60.758 13.844 0.514 631 HA LEU 85 HA LEU 85 60.501 11.881 -1.645 632 1HB LEU 85 HB2 LEU 85 59.020 13.987 -2.109 633 2HB LEU 85 HB3 LEU 85 60.519 14.818 -2.428 634 HG LEU 85 HG LEU 85 59.441 14.092 -4.466 635 1HD1 LEU 85 HD11 LEU 85 61.176 12.867 -5.617 636 2HD1 LEU 85 HD12 LEU 85 61.910 14.033 -4.506 637 3HD1 LEU 85 HD13 LEU 85 61.871 12.304 -4.085 638 1HD2 LEU 85 HD21 LEU 85 58.997 11.806 -5.071 639 2HD2 LEU 85 HD22 LEU 85 59.703 11.197 -3.564 640 3HD2 LEU 85 HD23 LEU 85 58.203 12.146 -3.524 641 H GLU 86 H GLU 86 62.399 11.296 -0.359 642 HA GLU 86 HA GLU 86 64.886 12.615 -1.412 643 1HB GLU 86 HB2 GLU 86 64.454 11.532 1.397 644 2HB GLU 86 HB3 GLU 86 65.968 12.174 0.744 645 1HG GLU 86 HG2 GLU 86 64.754 14.366 0.325 646 2HG GLU 86 HG3 GLU 86 63.417 13.728 1.290 647 H HIS 87 H HIS 87 63.159 9.817 -1.572 648 HA HIS 87 HA HIS 87 65.566 8.116 -2.043 649 1HB HIS 87 HB2 HIS 87 64.470 6.284 -0.844 650 2HB HIS 87 HB3 HIS 87 64.710 7.674 0.203 651 HD1 HIS 87 HD1 HIS 87 61.813 6.021 -1.790 652 HD2 HIS 87 HD2 HIS 87 62.578 8.628 1.425 653 HE1 HIS 87 HE1 HIS 87 59.549 6.513 -0.712 654 H HIS 88 H HIS 88 63.408 9.542 -3.771 655 HA HIS 88 HA HIS 88 61.873 7.538 -5.119 656 1HB HIS 88 HB2 HIS 88 61.412 9.972 -5.077 657 2HB HIS 88 HB3 HIS 88 62.862 10.269 -6.035 658 HD1 HIS 88 HD1 HIS 88 60.418 7.446 -7.046 659 HD2 HIS 88 HD2 HIS 88 61.484 11.402 -8.010 660 HE1 HIS 88 HE1 HIS 88 59.224 7.994 -9.227 661 H HIS 89 H HIS 89 65.237 8.418 -5.407 662 HA HIS 89 HA HIS 89 65.648 6.458 -7.614 663 1HB HIS 89 HB2 HIS 89 67.031 9.159 -7.377 664 2HB HIS 89 HB3 HIS 89 67.314 7.947 -8.619 665 HD1 HIS 89 HD1 HIS 89 63.850 7.739 -8.918 666 HD2 HIS 89 HD2 HIS 89 66.553 10.931 -9.366 667 HE1 HIS 89 HE1 HIS 89 62.715 9.422 -10.461 668 H HIS 90 H HIS 90 67.758 5.480 -7.597 669 HA HIS 90 HA HIS 90 68.902 5.176 -4.912 670 1HB HIS 90 HB2 HIS 90 69.522 3.803 -7.552 671 2HB HIS 90 HB3 HIS 90 70.201 3.356 -5.988 672 HD1 HIS 90 HD1 HIS 90 68.211 2.619 -4.069 673 HD2 HIS 90 HD2 HIS 90 67.289 2.562 -8.175 674 HE1 HIS 90 HE1 HIS 90 66.123 1.177 -4.311 675 H HIS 91 H HIS 91 69.534 7.427 -7.260 676 HA HIS 91 HA HIS 91 72.151 8.106 -6.122 677 1HB HIS 91 HB2 HIS 91 72.678 6.631 -8.070 678 2HB HIS 91 HB3 HIS 91 71.744 7.696 -9.119 679 HD1 HIS 91 HD1 HIS 91 74.874 8.005 -6.799 680 HD2 HIS 91 HD2 HIS 91 73.136 9.555 -10.308 681 HE1 HIS 91 HE1 HIS 91 76.562 9.652 -7.765 682 H HIS 92 H HIS 92 72.773 10.338 -6.705 683 HA HIS 92 HA HIS 92 70.487 12.122 -7.395 684 1HB HIS 92 HB2 HIS 92 72.165 12.481 -4.894 685 2HB HIS 92 HB3 HIS 92 70.721 13.364 -5.364 686 HD1 HIS 92 HD1 HIS 92 68.450 11.447 -5.533 687 HD2 HIS 92 HD2 HIS 92 71.793 10.684 -3.103 688 HE1 HIS 92 HE1 HIS 92 67.703 9.706 -3.814 Start of MODEL 18 1 1H MET 1 H1 MET 1 16.857 17.013 36.787 2 2H MET 1 H2 MET 1 17.402 16.720 38.308 3 3H MET 1 H3 MET 1 18.463 16.972 37.090 4 HA MET 1 HA MET 1 18.383 14.635 37.624 5 1HB MET 1 HB2 MET 1 15.434 14.913 36.887 6 2HB MET 1 HB3 MET 1 16.291 13.376 37.020 7 1HG MET 1 HG2 MET 1 15.848 15.367 39.272 8 2HG MET 1 HG3 MET 1 15.038 13.823 39.044 9 1HE MET 1 HE1 MET 1 15.547 13.136 41.531 10 2HE MET 1 HE2 MET 1 17.167 13.176 42.260 11 3HE MET 1 HE3 MET 1 16.368 14.693 41.789 12 H SER 2 H SER 2 19.103 13.280 36.040 13 HA SER 2 HA SER 2 18.629 13.930 33.168 14 1HB SER 2 HB2 SER 2 21.378 13.753 34.474 15 2HB SER 2 HB3 SER 2 21.052 13.947 32.743 16 HG SER 2 HG SER 2 21.535 15.945 33.778 17 H ASN 3 H ASN 3 19.468 12.265 31.712 18 HA ASN 3 HA ASN 3 18.952 9.588 32.550 19 1HB ASN 3 HB2 ASN 3 19.742 8.975 30.296 20 2HB ASN 3 HB3 ASN 3 18.624 10.328 30.250 21 1HD2 ASN 3 HD22 ASN 3 22.058 9.387 29.806 22 2HD2 ASN 3 HD21 ASN 3 22.454 10.863 28.942 23 HA PRO 4 HA PRO 4 22.923 8.056 34.041 24 1HB PRO 4 HB2 PRO 4 22.316 5.683 32.269 25 2HB PRO 4 HB3 PRO 4 22.866 5.700 33.973 26 1HG PRO 4 HG2 PRO 4 20.266 5.218 33.374 27 2HG PRO 4 HG3 PRO 4 20.692 6.292 34.747 28 1HD PRO 4 HD2 PRO 4 19.819 7.075 31.958 29 2HD PRO 4 HD3 PRO 4 19.326 7.745 33.542 30 HA PRO 5 HA PRO 5 25.715 8.905 30.598 31 1HB PRO 5 HB2 PRO 5 28.057 7.746 31.457 32 2HB PRO 5 HB3 PRO 5 27.401 9.273 32.144 33 1HG PRO 5 HG2 PRO 5 27.148 6.451 33.225 34 2HG PRO 5 HG3 PRO 5 27.563 7.945 34.122 35 1HD PRO 5 HD2 PRO 5 25.042 6.897 34.098 36 2HD PRO 5 HD3 PRO 5 25.318 8.666 34.126 37 H THR 6 H THR 6 26.928 7.919 28.892 38 HA THR 6 HA THR 6 26.344 5.059 28.320 39 HB THR 6 HB THR 6 27.354 5.445 26.195 40 HG1 THR 6 HG1 THR 6 27.969 7.616 25.646 41 1HG2 THR 6 HG21 THR 6 25.762 6.994 25.207 42 2HG2 THR 6 HG22 THR 6 24.966 6.025 26.460 43 3HG2 THR 6 HG23 THR 6 25.414 7.714 26.796 44 HA PRO 7 HA PRO 7 30.148 3.354 29.626 45 1HB PRO 7 HB2 PRO 7 30.463 2.277 26.824 46 2HB PRO 7 HB3 PRO 7 30.592 1.426 28.398 47 1HG PRO 7 HG2 PRO 7 28.332 1.191 26.913 48 2HG PRO 7 HG3 PRO 7 28.234 1.407 28.692 49 1HD PRO 7 HD2 PRO 7 27.879 3.475 26.517 50 2HD PRO 7 HD3 PRO 7 26.919 3.234 27.976 51 H LEU 8 H LEU 8 30.246 5.220 26.631 52 HA LEU 8 HA LEU 8 33.099 5.670 26.503 53 1HB LEU 8 HB2 LEU 8 30.766 7.283 25.385 54 2HB LEU 8 HB3 LEU 8 32.451 7.462 24.914 55 HG LEU 8 HG LEU 8 30.737 4.984 24.434 56 1HD1 LEU 8 HD11 LEU 8 31.815 7.084 22.509 57 2HD1 LEU 8 HD12 LEU 8 30.870 5.640 22.077 58 3HD1 LEU 8 HD13 LEU 8 30.125 6.926 23.038 59 1HD2 LEU 8 HD21 LEU 8 33.597 5.610 23.573 60 2HD2 LEU 8 HD22 LEU 8 33.087 4.323 24.694 61 3HD2 LEU 8 HD23 LEU 8 32.622 4.239 22.993 62 H LEU 9 H LEU 9 30.703 6.964 28.597 63 HA LEU 9 HA LEU 9 32.427 9.292 29.390 64 1HB LEU 9 HB2 LEU 9 29.420 8.887 29.646 65 2HB LEU 9 HB3 LEU 9 30.314 10.311 30.164 66 HG LEU 9 HG LEU 9 30.027 9.372 27.269 67 1HD1 LEU 9 HD11 LEU 9 28.727 11.685 28.767 68 2HD1 LEU 9 HD12 LEU 9 28.557 11.328 27.033 69 3HD1 LEU 9 HD13 LEU 9 27.920 10.192 28.231 70 1HD2 LEU 9 HD21 LEU 9 30.943 11.601 26.698 71 2HD2 LEU 9 HD22 LEU 9 31.240 11.924 28.421 72 3HD2 LEU 9 HD23 LEU 9 32.123 10.629 27.581 73 H ALA 10 H ALA 10 30.527 6.534 30.576 74 HA ALA 10 HA ALA 10 31.031 6.885 33.376 75 1HB ALA 10 HB1 ALA 10 30.282 4.540 33.493 76 2HB ALA 10 HB2 ALA 10 29.235 5.476 32.408 77 3HB ALA 10 HB3 ALA 10 30.460 4.381 31.734 78 H ASP 11 H ASP 11 33.208 6.028 30.869 79 HA ASP 11 HA ASP 11 34.826 4.065 31.842 80 1HB ASP 11 HB2 ASP 11 34.886 5.188 29.610 81 2HB ASP 11 HB3 ASP 11 35.766 6.526 30.344 82 H TYR 12 H TYR 12 34.882 7.377 33.005 83 HA TYR 12 HA TYR 12 37.331 7.431 34.421 84 1HB TYR 12 HB2 TYR 12 35.800 9.340 33.906 85 2HB TYR 12 HB3 TYR 12 34.670 8.738 35.109 86 HD1 TYR 12 HD1 TYR 12 34.978 9.253 37.446 87 HD2 TYR 12 HD2 TYR 12 38.104 10.116 34.597 88 HE1 TYR 12 HE1 TYR 12 36.192 10.583 39.174 89 HE2 TYR 12 HE2 TYR 12 39.312 11.444 36.323 90 HH TYR 12 HH TYR 12 39.317 12.203 38.484 91 H GLU 13 H GLU 13 34.401 5.663 35.216 92 HA GLU 13 HA GLU 13 34.915 5.337 38.048 93 1HB GLU 13 HB2 GLU 13 32.701 5.121 36.751 94 2HB GLU 13 HB3 GLU 13 33.278 3.543 36.224 95 1HG GLU 13 HG2 GLU 13 31.789 3.232 38.065 96 2HG GLU 13 HG3 GLU 13 33.393 2.837 38.642 97 H TRP 14 H TRP 14 36.317 3.832 35.241 98 HA TRP 14 HA TRP 14 37.666 1.773 36.925 99 1HB TRP 14 HB2 TRP 14 37.163 0.056 35.236 100 2HB TRP 14 HB3 TRP 14 35.727 0.695 36.001 101 HD1 TRP 14 HD1 TRP 14 37.703 1.397 32.732 102 HE1 TRP 14 HE1 TRP 14 36.069 1.973 30.862 103 HE3 TRP 14 HE3 TRP 14 33.310 1.076 35.362 104 HZ2 TRP 14 HZ2 TRP 14 33.206 2.010 30.466 105 HZ3 TRP 14 HZ3 TRP 14 31.138 1.417 34.204 106 HH2 TRP 14 HH2 TRP 14 31.072 1.877 31.762 107 H SER 15 H SER 15 38.457 4.342 35.406 108 HA SER 15 HA SER 15 40.287 3.653 33.332 109 1HB SER 15 HB2 SER 15 40.974 6.026 33.525 110 2HB SER 15 HB3 SER 15 39.228 5.793 33.409 111 HG SER 15 HG SER 15 40.746 6.390 35.741 112 H GLY 16 H GLY 16 41.021 1.903 35.140 113 1HA GLY 16 HA2 GLY 16 43.881 2.318 35.429 114 2HA GLY 16 HA3 GLY 16 43.054 2.212 36.994 115 H TYR 17 H TYR 17 41.044 0.340 36.380 116 HA TYR 17 HA TYR 17 42.415 -2.160 36.564 117 1HB TYR 17 HB2 TYR 17 39.483 -1.684 35.938 118 2HB TYR 17 HB3 TYR 17 40.193 -3.126 36.651 119 HD1 TYR 17 HD1 TYR 17 38.183 -0.497 37.469 120 HD2 TYR 17 HD2 TYR 17 41.818 -2.369 38.851 121 HE1 TYR 17 HE1 TYR 17 37.816 0.468 39.732 122 HE2 TYR 17 HE2 TYR 17 41.442 -1.410 41.119 123 HH TYR 17 HH TYR 17 38.615 0.662 41.875 124 H LEU 18 H LEU 18 41.093 -0.479 33.782 125 HA LEU 18 HA LEU 18 41.594 -2.850 32.005 126 1HB LEU 18 HB2 LEU 18 39.818 -0.427 31.561 127 2HB LEU 18 HB3 LEU 18 39.995 -1.806 30.482 128 HG LEU 18 HG LEU 18 38.727 -1.826 33.254 129 1HD1 LEU 18 HD11 LEU 18 36.673 -2.314 32.043 130 2HD1 LEU 18 HD12 LEU 18 37.390 -0.832 31.395 131 3HD1 LEU 18 HD13 LEU 18 37.547 -2.350 30.493 132 1HD2 LEU 18 HD21 LEU 18 39.102 -4.132 31.289 133 2HD2 LEU 18 HD22 LEU 18 39.833 -3.999 32.904 134 3HD2 LEU 18 HD23 LEU 18 38.085 -4.172 32.747 135 H THR 19 H THR 19 42.991 0.160 32.765 136 HA THR 19 HA THR 19 43.773 1.219 30.316 137 HB THR 19 HB THR 19 45.416 1.244 32.872 138 HG1 THR 19 HG1 THR 19 44.142 3.153 33.239 139 1HG2 THR 19 HG21 THR 19 45.968 3.575 32.133 140 2HG2 THR 19 HG22 THR 19 46.607 2.354 31.034 141 3HG2 THR 19 HG23 THR 19 45.140 3.258 30.590 142 H GLY 20 H GLY 20 45.070 -1.662 31.799 143 1HA GLY 20 HA2 GLY 20 47.538 -2.115 30.564 144 2HA GLY 20 HA3 GLY 20 46.299 -3.342 30.885 145 H ILE 21 H ILE 21 44.362 -2.132 29.065 146 HA ILE 21 HA ILE 21 44.816 -3.427 26.631 147 HB ILE 21 HB ILE 21 42.652 -2.498 27.592 148 1HG1 ILE 21 HG12 ILE 21 41.598 -1.951 25.397 149 2HG1 ILE 21 HG13 ILE 21 43.189 -1.942 24.643 150 1HG2 ILE 21 HG21 ILE 21 41.952 -0.250 27.084 151 2HG2 ILE 21 HG22 ILE 21 43.488 -0.141 27.948 152 3HG2 ILE 21 HG23 ILE 21 43.439 0.096 26.188 153 1HD1 ILE 21 HD11 ILE 21 43.459 -4.351 25.190 154 2HD1 ILE 21 HD12 ILE 21 41.895 -4.332 26.038 155 3HD1 ILE 21 HD13 ILE 21 41.968 -4.065 24.285 156 H GLY 22 H GLY 22 46.042 -0.288 27.608 157 1HA GLY 22 HA2 GLY 22 46.541 1.059 25.245 158 2HA GLY 22 HA3 GLY 22 47.567 1.126 26.682 159 H ARG 23 H ARG 23 48.617 -1.502 26.650 160 HA ARG 23 HA ARG 23 50.478 -1.362 24.315 161 1HB ARG 23 HB2 ARG 23 51.873 -2.920 25.495 162 2HB ARG 23 HB3 ARG 23 51.515 -1.524 26.503 163 1HG ARG 23 HG2 ARG 23 50.045 -2.783 27.919 164 2HG ARG 23 HG3 ARG 23 49.948 -4.127 26.776 165 1HD ARG 23 HD2 ARG 23 51.356 -4.696 28.685 166 2HD ARG 23 HD3 ARG 23 52.253 -4.751 27.180 167 HE ARG 23 HE ARG 23 52.483 -2.694 29.335 168 1HH1 ARG 23 HH21 ARG 23 53.896 -3.964 26.324 169 2HH1 ARG 23 HH22 ARG 23 55.356 -3.052 26.587 170 1HH2 ARG 23 HH11 ARG 23 54.379 -1.595 29.528 171 2HH2 ARG 23 HH12 ARG 23 55.618 -1.757 28.319 172 H ALA 24 H ALA 24 47.681 -3.178 25.169 173 HA ALA 24 HA ALA 24 48.480 -5.602 23.820 174 1HB ALA 24 HB1 ALA 24 46.130 -6.281 24.164 175 2HB ALA 24 HB2 ALA 24 46.750 -5.522 25.645 176 3HB ALA 24 HB3 ALA 24 45.685 -4.607 24.550 177 H PHE 25 H PHE 25 47.410 -2.614 22.516 178 HA PHE 25 HA PHE 25 46.588 -3.744 19.998 179 1HB PHE 25 HB2 PHE 25 47.707 -0.976 20.623 180 2HB PHE 25 HB3 PHE 25 46.875 -1.426 19.142 181 HD1 PHE 25 HD1 PHE 25 44.440 -2.460 19.446 182 HD2 PHE 25 HD2 PHE 25 46.434 0.032 22.347 183 HE1 PHE 25 HE1 PHE 25 42.246 -1.880 20.460 184 HE2 PHE 25 HE2 PHE 25 44.242 0.611 23.356 185 HZ PHE 25 HZ PHE 25 42.144 -0.343 22.416 186 H ASP 26 H ASP 26 49.533 -3.936 21.459 187 HA ASP 26 HA ASP 26 51.009 -4.383 18.898 188 1HB ASP 26 HB2 ASP 26 51.678 -2.282 20.052 189 2HB ASP 26 HB3 ASP 26 51.982 -3.199 21.527 190 H ASP 27 H ASP 27 51.426 -5.013 22.447 191 HA ASP 27 HA ASP 27 52.782 -7.516 22.094 192 1HB ASP 27 HB2 ASP 27 51.286 -6.288 24.449 193 2HB ASP 27 HB3 ASP 27 52.139 -7.823 24.553 194 H GLY 28 H GLY 28 49.371 -6.768 22.099 195 1HA GLY 28 HA2 GLY 28 48.516 -9.588 22.426 196 2HA GLY 28 HA3 GLY 28 47.483 -8.162 22.352 197 H VAL 29 H VAL 29 49.630 -7.785 19.833 198 HA VAL 29 HA VAL 29 48.020 -9.424 17.921 199 HB VAL 29 HB VAL 29 49.105 -6.810 16.944 200 1HG1 VAL 29 HG11 VAL 29 47.119 -7.048 15.464 201 2HG1 VAL 29 HG12 VAL 29 48.117 -8.506 15.408 202 3HG1 VAL 29 HG13 VAL 29 46.631 -8.512 16.366 203 1HG2 VAL 29 HG21 VAL 29 46.956 -5.688 17.445 204 2HG2 VAL 29 HG22 VAL 29 46.477 -7.069 18.464 205 3HG2 VAL 29 HG23 VAL 29 47.872 -6.056 18.907 206 H LYS 30 H LYS 30 51.224 -8.361 18.855 207 HA LYS 30 HA LYS 30 52.773 -9.343 16.718 208 1HB LYS 30 HB2 LYS 30 53.561 -8.201 18.807 209 2HB LYS 30 HB3 LYS 30 53.209 -9.667 19.728 210 1HG LYS 30 HG2 LYS 30 54.924 -10.891 18.361 211 2HG LYS 30 HG3 LYS 30 55.268 -9.376 17.496 212 1HD LYS 30 HD2 LYS 30 55.870 -8.307 19.704 213 2HD LYS 30 HD3 LYS 30 55.528 -9.840 20.507 214 1HE LYS 30 HE2 LYS 30 57.880 -9.753 20.282 215 2HE LYS 30 HE3 LYS 30 57.319 -10.929 19.092 216 1HZ LYS 30 HZ1 LYS 30 58.977 -9.384 18.177 217 2HZ LYS 30 HZ2 LYS 30 57.565 -9.205 17.380 218 3HZ LYS 30 HZ3 LYS 30 58.026 -8.099 18.494 219 H ASP 31 H ASP 31 51.007 -11.028 19.178 220 HA ASP 31 HA ASP 31 51.527 -13.734 18.887 221 1HB ASP 31 HB2 ASP 31 50.009 -12.583 20.522 222 2HB ASP 31 HB3 ASP 31 48.872 -12.253 19.203 223 H LEU 32 H LEU 32 49.467 -11.733 16.782 224 HA LEU 32 HA LEU 32 48.296 -13.893 15.287 225 1HB LEU 32 HB2 LEU 32 47.673 -11.318 15.655 226 2HB LEU 32 HB3 LEU 32 48.675 -11.079 14.245 227 HG LEU 32 HG LEU 32 46.058 -12.600 14.516 228 1HD1 LEU 32 HD11 LEU 32 46.973 -10.312 12.712 229 2HD1 LEU 32 HD12 LEU 32 45.339 -11.004 12.774 230 3HD1 LEU 32 HD13 LEU 32 45.988 -10.154 14.182 231 1HD2 LEU 32 HD21 LEU 32 47.908 -12.642 12.106 232 2HD2 LEU 32 HD22 LEU 32 47.360 -14.041 13.060 233 3HD2 LEU 32 HD23 LEU 32 46.197 -13.147 12.093 234 H ASN 33 H ASN 33 51.075 -11.751 14.799 235 HA ASN 33 HA ASN 33 51.833 -12.806 12.200 236 1HB ASN 33 HB2 ASN 33 52.472 -10.540 13.010 237 2HB ASN 33 HB3 ASN 33 53.488 -11.268 14.256 238 1HD2 ASN 33 HD22 ASN 33 55.626 -11.705 13.682 239 2HD2 ASN 33 HD21 ASN 33 56.190 -11.714 12.019 240 H LYS 34 H LYS 34 52.831 -13.544 15.534 241 HA LYS 34 HA LYS 34 54.748 -15.594 14.887 242 1HB LYS 34 HB2 LYS 34 54.640 -14.504 17.086 243 2HB LYS 34 HB3 LYS 34 53.033 -15.160 17.371 244 1HG LYS 34 HG2 LYS 34 54.726 -16.380 18.623 245 2HG LYS 34 HG3 LYS 34 53.916 -17.438 17.469 246 1HD LYS 34 HD2 LYS 34 55.866 -17.360 15.962 247 2HD LYS 34 HD3 LYS 34 56.620 -16.117 16.967 248 1HE LYS 34 HE2 LYS 34 57.691 -18.215 17.430 249 2HE LYS 34 HE3 LYS 34 56.777 -17.718 18.854 250 1HZ LYS 34 HZ1 LYS 34 55.863 -19.735 16.863 251 2HZ LYS 34 HZ2 LYS 34 56.470 -20.081 18.336 252 3HZ LYS 34 HZ3 LYS 34 55.042 -19.307 18.216 253 H GLN 35 H GLN 35 51.243 -15.767 15.464 254 HA GLN 35 HA GLN 35 50.952 -18.596 15.116 255 1HB GLN 35 HB2 GLN 35 49.131 -16.221 15.008 256 2HB GLN 35 HB3 GLN 35 48.563 -17.690 14.231 257 1HG GLN 35 HG2 GLN 35 49.665 -17.732 17.049 258 2HG GLN 35 HG3 GLN 35 47.982 -17.361 16.704 259 1HE2 GLN 35 HE22 GLN 35 46.591 -19.067 15.805 260 2HE2 GLN 35 HE21 GLN 35 47.105 -20.743 15.934 261 H LEU 36 H LEU 36 50.929 -15.948 12.735 262 HA LEU 36 HA LEU 36 50.319 -17.685 10.500 263 1HB LEU 36 HB2 LEU 36 49.834 -15.251 10.664 264 2HB LEU 36 HB3 LEU 36 51.552 -14.944 10.414 265 HG LEU 36 HG LEU 36 51.492 -16.009 8.229 266 1HD1 LEU 36 HD11 LEU 36 49.308 -16.619 7.152 267 2HD1 LEU 36 HD12 LEU 36 49.893 -17.811 8.330 268 3HD1 LEU 36 HD13 LEU 36 48.582 -16.694 8.749 269 1HD2 LEU 36 HD21 LEU 36 50.687 -13.630 8.586 270 2HD2 LEU 36 HD22 LEU 36 49.992 -14.377 7.141 271 3HD2 LEU 36 HD23 LEU 36 49.036 -14.292 8.628 272 H GLN 37 H GLN 37 53.431 -16.407 11.740 273 HA GLN 37 HA GLN 37 54.991 -17.759 9.712 274 1HB GLN 37 HB2 GLN 37 55.773 -15.829 11.113 275 2HB GLN 37 HB3 GLN 37 55.794 -16.887 12.534 276 1HG GLN 37 HG2 GLN 37 57.506 -18.316 11.442 277 2HG GLN 37 HG3 GLN 37 57.451 -17.304 9.997 278 1HE2 GLN 37 HE22 GLN 37 59.894 -17.749 11.257 279 2HE2 GLN 37 HE21 GLN 37 60.400 -16.262 12.050 280 H ASP 38 H ASP 38 53.784 -18.791 12.915 281 HA ASP 38 HA ASP 38 55.023 -21.393 12.835 282 1HB ASP 38 HB2 ASP 38 54.068 -20.310 14.876 283 2HB ASP 38 HB3 ASP 38 52.449 -20.584 14.231 284 H ALA 39 H ALA 39 51.904 -20.186 11.561 285 HA ALA 39 HA ALA 39 51.018 -22.664 10.481 286 1HB ALA 39 HB1 ALA 39 50.511 -20.145 8.890 287 2HB ALA 39 HB2 ALA 39 49.428 -21.485 9.293 288 3HB ALA 39 HB3 ALA 39 49.824 -20.209 10.507 289 H GLN 40 H GLN 40 53.052 -20.133 9.095 290 HA GLN 40 HA GLN 40 53.541 -21.394 6.583 291 1HB GLN 40 HB2 GLN 40 53.867 -18.895 7.377 292 2HB GLN 40 HB3 GLN 40 55.396 -19.442 8.041 293 1HG GLN 40 HG2 GLN 40 56.187 -20.126 5.810 294 2HG GLN 40 HG3 GLN 40 54.613 -19.741 5.114 295 1HE2 GLN 40 HE22 GLN 40 55.752 -18.259 3.624 296 2HE2 GLN 40 HE21 GLN 40 56.272 -16.691 4.224 297 H ALA 41 H ALA 41 55.157 -21.808 9.714 298 HA ALA 41 HA ALA 41 57.241 -23.533 8.543 299 1HB ALA 41 HB1 ALA 41 57.709 -22.173 10.518 300 2HB ALA 41 HB2 ALA 41 56.497 -23.104 11.448 301 3HB ALA 41 HB3 ALA 41 57.954 -23.908 10.796 302 H ASN 42 H ASN 42 54.080 -24.205 10.117 303 HA ASN 42 HA ASN 42 54.520 -27.090 9.926 304 1HB ASN 42 HB2 ASN 42 51.906 -25.458 10.116 305 2HB ASN 42 HB3 ASN 42 51.998 -27.181 9.963 306 1HD2 ASN 42 HD22 ASN 42 52.974 -24.523 12.162 307 2HD2 ASN 42 HD21 ASN 42 52.980 -25.560 13.573 308 H LEU 43 H LEU 43 53.324 -24.529 7.772 309 HA LEU 43 HA LEU 43 52.968 -26.256 5.542 310 1HB LEU 43 HB2 LEU 43 52.173 -23.708 6.062 311 2HB LEU 43 HB3 LEU 43 53.679 -23.333 5.245 312 HG LEU 43 HG LEU 43 52.987 -24.760 3.365 313 1HD1 LEU 43 HD11 LEU 43 50.503 -24.766 5.123 314 2HD1 LEU 43 HD12 LEU 43 50.400 -25.098 3.353 315 3HD1 LEU 43 HD13 LEU 43 51.307 -26.186 4.366 316 1HD2 LEU 43 HD21 LEU 43 52.630 -22.334 3.219 317 2HD2 LEU 43 HD22 LEU 43 51.377 -23.276 2.377 318 3HD2 LEU 43 HD23 LEU 43 51.014 -22.541 3.964 319 H THR 44 H THR 44 55.841 -24.489 6.733 320 HA THR 44 HA THR 44 57.411 -25.059 4.444 321 HB THR 44 HB THR 44 58.297 -24.715 7.321 322 HG1 THR 44 HG1 THR 44 57.390 -22.909 6.164 323 1HG2 THR 44 HG21 THR 44 59.879 -25.082 4.787 324 2HG2 THR 44 HG22 THR 44 60.536 -24.274 6.260 325 3HG2 THR 44 HG23 THR 44 60.004 -25.968 6.332 326 H LYS 45 H LYS 45 56.788 -26.971 7.346 327 HA LYS 45 HA LYS 45 58.455 -29.241 6.726 328 1HB LYS 45 HB2 LYS 45 55.946 -28.879 8.388 329 2HB LYS 45 HB3 LYS 45 56.847 -30.401 8.306 330 1HG LYS 45 HG2 LYS 45 58.832 -29.335 9.257 331 2HG LYS 45 HG3 LYS 45 58.042 -27.755 9.216 332 1HD LYS 45 HD2 LYS 45 58.018 -28.592 11.471 333 2HD LYS 45 HD3 LYS 45 56.366 -28.494 10.850 334 1HE LYS 45 HE2 LYS 45 56.378 -30.941 10.416 335 2HE LYS 45 HE3 LYS 45 58.052 -31.039 10.981 336 1HZ LYS 45 HZ1 LYS 45 56.478 -31.650 12.732 337 2HZ LYS 45 HZ2 LYS 45 57.286 -30.305 13.174 338 3HZ LYS 45 HZ3 LYS 45 55.739 -30.198 12.654 339 H ASN 46 H ASN 46 55.188 -28.452 5.615 340 HA ASN 46 HA ASN 46 55.594 -30.227 3.375 341 1HB ASN 46 HB2 ASN 46 54.600 -31.639 5.151 342 2HB ASN 46 HB3 ASN 46 53.248 -30.532 5.183 343 1HD2 ASN 46 HD22 ASN 46 53.227 -33.430 4.550 344 2HD2 ASN 46 HD21 ASN 46 52.768 -33.606 2.862 345 HA PRO 47 HA PRO 47 54.329 -26.031 2.251 346 1HB PRO 47 HB2 PRO 47 55.056 -27.242 -0.381 347 2HB PRO 47 HB3 PRO 47 55.265 -25.546 0.220 348 1HG PRO 47 HG2 PRO 47 57.333 -27.322 0.355 349 2HG PRO 47 HG3 PRO 47 56.990 -26.201 1.712 350 1HD PRO 47 HD2 PRO 47 56.471 -29.131 1.552 351 2HD PRO 47 HD3 PRO 47 56.762 -28.102 2.952 352 H SER 48 H SER 48 52.799 -28.865 0.586 353 HA SER 48 HA SER 48 50.370 -27.270 0.784 354 1HB SER 48 HB2 SER 48 49.692 -28.138 -1.313 355 2HB SER 48 HB3 SER 48 51.314 -27.434 -1.439 356 HG SER 48 HG SER 48 51.170 -29.477 -2.532 357 H ASP 49 H ASP 49 51.321 -28.995 2.794 358 HA ASP 49 HA ASP 49 49.507 -31.266 3.014 359 1HB ASP 49 HB2 ASP 49 51.250 -31.282 4.495 360 2HB ASP 49 HB3 ASP 49 51.128 -29.648 5.009 361 HA PRO 50 HA PRO 50 46.115 -28.572 2.703 362 1HB PRO 50 HB2 PRO 50 44.028 -30.207 3.308 363 2HB PRO 50 HB3 PRO 50 44.984 -30.226 1.768 364 1HG PRO 50 HG2 PRO 50 45.222 -32.027 4.217 365 2HG PRO 50 HG3 PRO 50 45.250 -32.516 2.492 366 1HD PRO 50 HD2 PRO 50 47.533 -32.122 4.018 367 2HD PRO 50 HD3 PRO 50 47.481 -31.809 2.251 368 H THR 51 H THR 51 46.526 -30.169 5.848 369 HA THR 51 HA THR 51 44.627 -28.302 7.223 370 HB THR 51 HB THR 51 46.537 -30.438 8.066 371 HG1 THR 51 HG1 THR 51 44.446 -31.021 7.404 372 1HG2 THR 51 HG21 THR 51 46.860 -28.795 9.795 373 2HG2 THR 51 HG22 THR 51 45.101 -28.489 9.875 374 3HG2 THR 51 HG23 THR 51 45.774 -30.049 10.425 375 H ALA 52 H ALA 52 48.184 -28.721 6.790 376 HA ALA 52 HA ALA 52 48.932 -26.312 8.208 377 1HB ALA 52 HB1 ALA 52 50.139 -27.710 5.733 378 2HB ALA 52 HB2 ALA 52 50.985 -26.573 6.799 379 3HB ALA 52 HB3 ALA 52 50.499 -28.186 7.387 380 H LEU 53 H LEU 53 47.961 -26.799 4.857 381 HA LEU 53 HA LEU 53 48.274 -24.021 4.254 382 1HB LEU 53 HB2 LEU 53 48.528 -26.083 2.839 383 2HB LEU 53 HB3 LEU 53 46.782 -26.184 2.697 384 HG LEU 53 HG LEU 53 46.731 -24.507 1.106 385 1HD1 LEU 53 HD11 LEU 53 49.180 -23.296 2.399 386 2HD1 LEU 53 HD12 LEU 53 48.471 -22.720 0.878 387 3HD1 LEU 53 HD13 LEU 53 47.529 -22.618 2.390 388 1HD2 LEU 53 HD21 LEU 53 49.697 -25.224 1.058 389 2HD2 LEU 53 HD22 LEU 53 48.369 -26.315 0.482 390 3HD2 LEU 53 HD23 LEU 53 48.691 -24.765 -0.340 391 H ALA 54 H ALA 54 45.416 -26.031 5.079 392 HA ALA 54 HA ALA 54 43.451 -23.993 4.924 393 1HB ALA 54 HB1 ALA 54 43.762 -26.434 6.771 394 2HB ALA 54 HB2 ALA 54 42.280 -25.458 6.654 395 3HB ALA 54 HB3 ALA 54 42.855 -26.357 5.244 396 H ASN 55 H ASN 55 45.690 -24.904 7.530 397 HA ASN 55 HA ASN 55 44.760 -23.111 9.502 398 1HB ASN 55 HB2 ASN 55 46.113 -25.056 10.041 399 2HB ASN 55 HB3 ASN 55 47.400 -24.530 8.977 400 1HD2 ASN 55 HD22 ASN 55 49.101 -23.798 9.929 401 2HD2 ASN 55 HD21 ASN 55 49.107 -23.030 11.529 402 H TYR 56 H TYR 56 47.631 -22.909 7.388 403 HA TYR 56 HA TYR 56 48.268 -20.152 7.813 404 1HB TYR 56 HB2 TYR 56 49.792 -21.624 6.758 405 2HB TYR 56 HB3 TYR 56 48.645 -22.079 5.506 406 HD1 TYR 56 HD1 TYR 56 48.283 -20.624 3.553 407 HD2 TYR 56 HD2 TYR 56 51.239 -19.734 6.571 408 HE1 TYR 56 HE1 TYR 56 49.610 -19.338 1.882 409 HE2 TYR 56 HE2 TYR 56 52.554 -18.446 4.901 410 HH TYR 56 HH TYR 56 52.751 -17.818 2.703 411 H GLN 57 H GLN 57 45.915 -21.441 5.423 412 HA GLN 57 HA GLN 57 45.293 -18.822 4.421 413 1HB GLN 57 HB2 GLN 57 43.780 -21.453 4.422 414 2HB GLN 57 HB3 GLN 57 43.046 -19.996 3.776 415 1HG GLN 57 HG2 GLN 57 45.732 -21.056 2.810 416 2HG GLN 57 HG3 GLN 57 44.191 -21.478 2.073 417 1HE2 GLN 57 HE22 GLN 57 46.025 -20.367 0.409 418 2HE2 GLN 57 HE21 GLN 57 45.584 -18.701 0.058 419 H MET 58 H MET 58 43.832 -20.688 7.118 420 HA MET 58 HA MET 58 41.748 -18.810 7.712 421 1HB MET 58 HB2 MET 58 41.711 -21.128 8.437 422 2HB MET 58 HB3 MET 58 43.180 -20.895 9.395 423 1HG MET 58 HG2 MET 58 41.906 -19.260 10.834 424 2HG MET 58 HG3 MET 58 40.468 -19.631 9.882 425 1HE MET 58 HE1 MET 58 42.581 -22.444 12.907 426 2HE MET 58 HE2 MET 58 43.400 -21.929 11.420 427 3HE MET 58 HE3 MET 58 42.959 -20.727 12.654 428 H ILE 59 H ILE 59 45.053 -19.178 9.089 429 HA ILE 59 HA ILE 59 44.771 -16.956 10.909 430 HB ILE 59 HB ILE 59 47.120 -18.549 9.818 431 1HG1 ILE 59 HG12 ILE 59 45.747 -18.671 12.561 432 2HG1 ILE 59 HG13 ILE 59 45.486 -19.842 11.270 433 1HG2 ILE 59 HG21 ILE 59 47.760 -16.242 10.700 434 2HG2 ILE 59 HG22 ILE 59 47.167 -16.772 12.276 435 3HG2 ILE 59 HG23 ILE 59 48.499 -17.649 11.458 436 1HD1 ILE 59 HD11 ILE 59 48.144 -19.356 12.670 437 2HD1 ILE 59 HD12 ILE 59 47.081 -20.748 12.836 438 3HD1 ILE 59 HD13 ILE 59 47.870 -20.418 11.267 439 H MET 60 H MET 60 46.036 -17.325 7.566 440 HA MET 60 HA MET 60 46.974 -14.652 7.387 441 1HB MET 60 HB2 MET 60 47.536 -16.605 5.870 442 2HB MET 60 HB3 MET 60 46.025 -16.274 5.015 443 1HG MET 60 HG2 MET 60 46.860 -13.983 4.554 444 2HG MET 60 HG3 MET 60 48.243 -14.288 5.637 445 1HE MET 60 HE1 MET 60 50.758 -16.255 3.867 446 2HE MET 60 HE2 MET 60 50.168 -15.414 5.309 447 3HE MET 60 HE3 MET 60 49.546 -17.040 4.913 448 H SER 61 H SER 61 43.807 -16.074 6.691 449 HA SER 61 HA SER 61 42.470 -13.778 5.651 450 1HB SER 61 HB2 SER 61 41.438 -16.115 7.328 451 2HB SER 61 HB3 SER 61 40.405 -14.867 6.601 452 HG SER 61 HG SER 61 42.131 -16.712 5.300 453 H GLU 62 H GLU 62 43.052 -14.782 9.049 454 HA GLU 62 HA GLU 62 41.793 -12.431 10.181 455 1HB GLU 62 HB2 GLU 62 42.084 -14.633 11.333 456 2HB GLU 62 HB3 GLU 62 43.823 -14.345 11.427 457 1HG GLU 62 HG2 GLU 62 43.461 -12.381 12.842 458 2HG GLU 62 HG3 GLU 62 41.718 -12.466 12.587 459 H TYR 63 H TYR 63 45.194 -13.266 9.509 460 HA TYR 63 HA TYR 63 46.457 -10.961 10.524 461 1HB TYR 63 HB2 TYR 63 47.680 -12.918 9.843 462 2HB TYR 63 HB3 TYR 63 47.110 -12.794 8.195 463 HD1 TYR 63 HD1 TYR 63 48.212 -11.612 6.534 464 HD2 TYR 63 HD2 TYR 63 49.365 -11.139 10.670 465 HE1 TYR 63 HE1 TYR 63 50.327 -10.535 5.816 466 HE2 TYR 63 HE2 TYR 63 51.479 -10.034 9.947 467 HH TYR 63 HH TYR 63 52.783 -9.399 8.173 468 H ASN 64 H ASN 64 45.140 -11.474 7.260 469 HA ASN 64 HA ASN 64 46.021 -8.979 6.236 470 1HB ASN 64 HB2 ASN 64 45.424 -10.931 4.838 471 2HB ASN 64 HB3 ASN 64 43.734 -10.785 5.323 472 1HD2 ASN 64 HD22 ASN 64 42.524 -9.855 3.695 473 2HD2 ASN 64 HD21 ASN 64 43.118 -8.591 2.632 474 H LEU 65 H LEU 65 42.994 -9.967 7.796 475 HA LEU 65 HA LEU 65 41.490 -7.550 7.433 476 1HB LEU 65 HB2 LEU 65 40.617 -9.815 7.918 477 2HB LEU 65 HB3 LEU 65 41.248 -9.732 9.555 478 HG LEU 65 HG LEU 65 39.203 -7.747 8.463 479 1HD1 LEU 65 HD11 LEU 65 38.730 -10.360 9.962 480 2HD1 LEU 65 HD12 LEU 65 37.486 -9.155 9.554 481 3HD1 LEU 65 HD13 LEU 65 38.313 -10.036 8.264 482 1HD2 LEU 65 HD21 LEU 65 39.981 -8.568 11.304 483 2HD2 LEU 65 HD22 LEU 65 40.183 -6.961 10.567 484 3HD2 LEU 65 HD23 LEU 65 38.571 -7.567 10.897 485 H TYR 66 H TYR 66 43.494 -8.702 10.166 486 HA TYR 66 HA TYR 66 43.188 -6.324 11.758 487 1HB TYR 66 HB2 TYR 66 45.100 -8.643 11.744 488 2HB TYR 66 HB3 TYR 66 45.514 -7.216 12.671 489 HD1 TYR 66 HD1 TYR 66 44.801 -7.013 14.877 490 HD2 TYR 66 HD2 TYR 66 42.570 -9.552 12.200 491 HE1 TYR 66 HE1 TYR 66 43.396 -7.794 16.778 492 HE2 TYR 66 HE2 TYR 66 41.172 -10.331 14.093 493 HH TYR 66 HH TYR 66 40.767 -10.195 16.346 494 H ARG 67 H ARG 67 45.603 -7.145 9.266 495 HA ARG 67 HA ARG 67 47.112 -4.684 9.452 496 1HB ARG 67 HB2 ARG 67 46.712 -6.757 7.270 497 2HB ARG 67 HB3 ARG 67 47.566 -5.244 6.943 498 1HG ARG 67 HG2 ARG 67 49.131 -5.729 8.835 499 2HG ARG 67 HG3 ARG 67 48.314 -7.273 9.091 500 1HD ARG 67 HD2 ARG 67 50.350 -7.600 7.835 501 2HD ARG 67 HD3 ARG 67 48.957 -7.999 6.813 502 HE ARG 67 HE ARG 67 49.475 -5.355 6.205 503 1HH1 ARG 67 HH21 ARG 67 51.602 -8.163 6.149 504 2HH1 ARG 67 HH22 ARG 67 52.504 -7.534 4.799 505 1HH2 ARG 67 HH11 ARG 67 50.712 -4.621 4.525 506 2HH2 ARG 67 HH12 ARG 67 52.034 -5.580 3.935 507 H ASN 68 H ASN 68 44.205 -5.440 7.478 508 HA ASN 68 HA ASN 68 44.000 -2.824 6.306 509 1HB ASN 68 HB2 ASN 68 42.809 -4.839 5.468 510 2HB ASN 68 HB3 ASN 68 41.837 -4.878 6.939 511 1HD2 ASN 68 HD22 ASN 68 42.505 -2.972 3.987 512 2HD2 ASN 68 HD21 ASN 68 40.976 -2.108 4.046 513 H ALA 69 H ALA 69 42.647 -4.048 9.359 514 HA ALA 69 HA ALA 69 41.353 -1.595 9.958 515 1HB ALA 69 HB1 ALA 69 41.188 -2.518 12.270 516 2HB ALA 69 HB2 ALA 69 40.787 -3.744 11.051 517 3HB ALA 69 HB3 ALA 69 42.375 -3.773 11.852 518 H GLN 70 H GLN 70 44.638 -2.748 10.861 519 HA GLN 70 HA GLN 70 45.419 -0.418 12.317 520 1HB GLN 70 HB2 GLN 70 46.615 -2.561 12.418 521 2HB GLN 70 HB3 GLN 70 47.059 -2.427 10.718 522 1HG GLN 70 HG2 GLN 70 48.955 -1.867 12.124 523 2HG GLN 70 HG3 GLN 70 48.467 -0.448 11.216 524 1HE2 GLN 70 HE22 GLN 70 47.321 1.303 12.413 525 2HE2 GLN 70 HE21 GLN 70 47.551 1.403 14.161 526 H SER 71 H SER 71 45.659 -1.156 8.813 527 HA SER 71 HA SER 71 47.123 1.130 8.007 528 1HB SER 71 HB2 SER 71 44.991 -0.398 6.464 529 2HB SER 71 HB3 SER 71 46.135 0.763 5.772 530 HG SER 71 HG SER 71 46.731 -1.709 7.056 531 H SER 72 H SER 72 43.616 0.785 8.556 532 HA SER 72 HA SER 72 42.849 3.378 7.580 533 1HB SER 72 HB2 SER 72 41.522 1.613 9.679 534 2HB SER 72 HB3 SER 72 40.795 3.032 8.908 535 HG SER 72 HG SER 72 41.599 0.596 7.656 536 H ALA 73 H ALA 73 44.370 2.452 10.620 537 HA ALA 73 HA ALA 73 43.897 5.139 11.801 538 1HB ALA 73 HB1 ALA 73 43.705 3.143 13.241 539 2HB ALA 73 HB2 ALA 73 45.380 2.693 12.857 540 3HB ALA 73 HB3 ALA 73 45.044 4.187 13.757 541 H VAL 74 H VAL 74 46.544 3.304 10.245 542 HA VAL 74 HA VAL 74 48.700 5.057 10.798 543 HB VAL 74 HB VAL 74 48.034 3.109 8.590 544 1HG1 VAL 74 HG11 VAL 74 50.578 4.728 8.815 545 2HG1 VAL 74 HG12 VAL 74 50.363 3.265 7.814 546 3HG1 VAL 74 HG13 VAL 74 49.412 4.710 7.462 547 1HG2 VAL 74 HG21 VAL 74 48.646 2.267 10.873 548 2HG2 VAL 74 HG22 VAL 74 49.808 1.791 9.629 549 3HG2 VAL 74 HG23 VAL 74 50.192 3.120 10.745 550 H LYS 75 H LYS 75 46.117 5.324 8.383 551 HA LYS 75 HA LYS 75 46.936 7.567 6.891 552 1HB LYS 75 HB2 LYS 75 44.193 6.699 7.890 553 2HB LYS 75 HB3 LYS 75 44.426 8.070 6.799 554 1HG LYS 75 HG2 LYS 75 45.498 6.618 5.127 555 2HG LYS 75 HG3 LYS 75 45.288 5.214 6.187 556 1HD LYS 75 HD2 LYS 75 42.825 5.529 6.126 557 2HD LYS 75 HD3 LYS 75 43.034 6.944 5.073 558 1HE LYS 75 HE2 LYS 75 44.147 5.500 3.374 559 2HE LYS 75 HE3 LYS 75 43.899 4.091 4.414 560 1HZ LYS 75 HZ1 LYS 75 41.721 5.761 3.266 561 2HZ LYS 75 HZ2 LYS 75 42.153 4.284 2.727 562 3HZ LYS 75 HZ3 LYS 75 41.494 4.446 4.212 563 H SER 76 H SER 76 46.090 7.584 10.265 564 HA SER 76 HA SER 76 46.241 10.596 10.343 565 1HB SER 76 HB2 SER 76 44.652 8.651 12.074 566 2HB SER 76 HB3 SER 76 44.757 10.407 12.337 567 HG SER 76 HG SER 76 43.745 10.731 10.334 568 H MET 77 H MET 77 47.171 7.566 12.045 569 HA MET 77 HA MET 77 48.669 8.827 14.120 570 1HB MET 77 HB2 MET 77 48.985 6.096 12.814 571 2HB MET 77 HB3 MET 77 49.860 6.612 14.258 572 1HG MET 77 HG2 MET 77 46.832 6.445 14.032 573 2HG MET 77 HG3 MET 77 47.875 5.245 14.786 574 1HE MET 77 HE1 MET 77 45.302 6.587 16.129 575 2HE MET 77 HE2 MET 77 46.292 5.335 16.916 576 3HE MET 77 HE3 MET 77 45.895 6.834 17.786 577 H LYS 78 H LYS 78 49.536 8.356 10.725 578 HA LYS 78 HA LYS 78 52.315 8.796 10.846 579 1HB LYS 78 HB2 LYS 78 52.199 9.463 8.587 580 2HB LYS 78 HB3 LYS 78 50.958 8.239 8.816 581 1HG LYS 78 HG2 LYS 78 49.279 10.190 9.063 582 2HG LYS 78 HG3 LYS 78 50.603 11.254 8.545 583 1HD LYS 78 HD2 LYS 78 50.811 9.643 6.505 584 2HD LYS 78 HD3 LYS 78 49.213 9.061 6.973 585 1HE LYS 78 HE2 LYS 78 50.023 11.891 6.156 586 2HE LYS 78 HE3 LYS 78 49.042 10.757 5.229 587 1HZ LYS 78 HZ1 LYS 78 47.366 10.910 7.072 588 2HZ LYS 78 HZ2 LYS 78 48.249 12.107 7.750 589 3HZ LYS 78 HZ3 LYS 78 47.593 12.321 6.273 590 H ASP 79 H ASP 79 49.751 11.135 11.396 591 HA ASP 79 HA ASP 79 51.356 13.524 11.204 592 1HB ASP 79 HB2 ASP 79 48.831 13.329 11.038 593 2HB ASP 79 HB3 ASP 79 48.792 13.033 12.771 594 H ILE 80 H ILE 80 50.784 11.186 13.774 595 HA ILE 80 HA ILE 80 52.128 12.793 15.863 596 HB ILE 80 HB ILE 80 51.184 9.903 15.961 597 1HG1 ILE 80 HG12 ILE 80 49.206 11.196 15.477 598 2HG1 ILE 80 HG13 ILE 80 49.176 10.663 17.142 599 1HG2 ILE 80 HG21 ILE 80 51.909 11.886 18.158 600 2HG2 ILE 80 HG22 ILE 80 51.170 10.292 18.428 601 3HG2 ILE 80 HG23 ILE 80 52.781 10.406 17.717 602 1HD1 ILE 80 HD11 ILE 80 49.827 12.941 17.906 603 2HD1 ILE 80 HD12 ILE 80 49.878 13.486 16.211 604 3HD1 ILE 80 HD13 ILE 80 48.349 12.961 16.930 605 H ASP 81 H ASP 81 52.688 9.874 13.913 606 HA ASP 81 HA ASP 81 55.163 9.034 14.900 607 1HB ASP 81 HB2 ASP 81 53.721 7.820 13.285 608 2HB ASP 81 HB3 ASP 81 54.205 8.956 12.023 609 H SER 82 H SER 82 54.541 11.475 12.415 610 HA SER 82 HA SER 82 57.183 12.160 11.673 611 1HB SER 82 HB2 SER 82 54.713 13.937 11.785 612 2HB SER 82 HB3 SER 82 56.202 14.285 10.892 613 HG SER 82 HG SER 82 54.322 12.200 10.432 614 H SER 83 H SER 83 55.835 12.643 14.749 615 HA SER 83 HA SER 83 57.801 14.792 15.451 616 1HB SER 83 HB2 SER 83 55.057 14.245 16.641 617 2HB SER 83 HB3 SER 83 56.196 15.492 17.183 618 HG SER 83 HG SER 83 54.587 16.294 15.721 619 H ILE 84 H ILE 84 57.564 11.570 15.702 620 HA ILE 84 HA ILE 84 59.061 11.536 18.271 621 HB ILE 84 HB ILE 84 56.660 11.015 18.691 622 1HG1 ILE 84 HG12 ILE 84 58.499 8.679 19.336 623 2HG1 ILE 84 HG13 ILE 84 58.554 10.248 20.148 624 1HG2 ILE 84 HG21 ILE 84 56.191 9.810 16.598 625 2HG2 ILE 84 HG22 ILE 84 57.173 8.436 17.153 626 3HG2 ILE 84 HG23 ILE 84 55.687 8.897 18.011 627 1HD1 ILE 84 HD11 ILE 84 56.216 8.296 20.159 628 2HD1 ILE 84 HD12 ILE 84 57.290 8.706 21.504 629 3HD1 ILE 84 HD13 ILE 84 56.176 9.930 20.865 630 H LEU 85 H LEU 85 58.728 10.318 15.046 631 HA LEU 85 HA LEU 85 61.285 8.861 15.343 632 1HB LEU 85 HB2 LEU 85 59.344 7.272 15.565 633 2HB LEU 85 HB3 LEU 85 58.790 7.766 13.970 634 HG LEU 85 HG LEU 85 60.781 6.763 12.934 635 1HD1 LEU 85 HD11 LEU 85 61.585 5.984 15.772 636 2HD1 LEU 85 HD12 LEU 85 62.345 5.380 14.284 637 3HD1 LEU 85 HD13 LEU 85 62.480 7.086 14.708 638 1HD2 LEU 85 HD21 LEU 85 59.489 4.868 14.931 639 2HD2 LEU 85 HD22 LEU 85 58.795 5.360 13.372 640 3HD2 LEU 85 HD23 LEU 85 60.297 4.425 13.409 641 H GLU 86 H GLU 86 62.284 8.447 13.171 642 HA GLU 86 HA GLU 86 61.694 10.665 11.255 643 1HB GLU 86 HB2 GLU 86 64.040 11.187 11.182 644 2HB GLU 86 HB3 GLU 86 63.452 11.263 12.838 645 1HG GLU 86 HG2 GLU 86 64.435 9.015 13.293 646 2HG GLU 86 HG3 GLU 86 65.031 8.941 11.637 647 H HIS 87 H HIS 87 61.472 7.504 11.196 648 HA HIS 87 HA HIS 87 63.114 6.706 8.987 649 1HB HIS 87 HB2 HIS 87 62.112 4.616 9.191 650 2HB HIS 87 HB3 HIS 87 62.242 5.238 10.822 651 HD1 HIS 87 HD1 HIS 87 59.274 6.939 10.462 652 HD2 HIS 87 HD2 HIS 87 60.238 2.889 9.820 653 HE1 HIS 87 HE1 HIS 87 57.103 5.645 10.670 654 H HIS 88 H HIS 88 61.646 9.047 8.251 655 HA HIS 88 HA HIS 88 59.318 8.735 6.736 656 1HB HIS 88 HB2 HIS 88 61.627 10.644 6.215 657 2HB HIS 88 HB3 HIS 88 59.962 10.849 5.681 658 HD1 HIS 88 HD1 HIS 88 62.160 11.930 8.403 659 HD2 HIS 88 HD2 HIS 88 58.092 10.961 7.917 660 HE1 HIS 88 HE1 HIS 88 60.922 13.031 10.348 661 H HIS 89 H HIS 89 58.811 8.375 4.635 662 HA HIS 89 HA HIS 89 60.797 7.688 2.585 663 1HB HIS 89 HB2 HIS 89 59.693 5.431 2.239 664 2HB HIS 89 HB3 HIS 89 60.709 5.581 3.660 665 HD1 HIS 89 HD1 HIS 89 59.495 5.451 6.071 666 HD2 HIS 89 HD2 HIS 89 57.018 5.059 2.680 667 HE1 HIS 89 HE1 HIS 89 57.260 4.560 6.913 668 H HIS 90 H HIS 90 59.790 7.301 0.488 669 HA HIS 90 HA HIS 90 57.186 8.730 0.129 670 1HB HIS 90 HB2 HIS 90 58.279 10.105 -1.586 671 2HB HIS 90 HB3 HIS 90 59.021 10.310 -0.010 672 HD1 HIS 90 HD1 HIS 90 61.613 9.754 0.156 673 HD2 HIS 90 HD2 HIS 90 59.752 8.641 -3.453 674 HE1 HIS 90 HE1 HIS 90 63.483 9.030 -1.417 675 H HIS 91 H HIS 91 58.264 5.784 -0.351 676 HA HIS 91 HA HIS 91 57.940 5.257 -3.151 677 1HB HIS 91 HB2 HIS 91 58.999 3.733 -1.483 678 2HB HIS 91 HB3 HIS 91 57.414 3.440 -0.765 679 HD1 HIS 91 HD1 HIS 91 55.864 1.672 -2.059 680 HD2 HIS 91 HD2 HIS 91 59.423 2.765 -4.025 681 HE1 HIS 91 HE1 HIS 91 56.096 0.092 -4.045 682 H HIS 92 H HIS 92 56.167 4.485 -4.324 683 HA HIS 92 HA HIS 92 53.429 4.612 -3.224 684 1HB HIS 92 HB2 HIS 92 53.994 6.946 -3.807 685 2HB HIS 92 HB3 HIS 92 54.435 6.451 -5.437 686 HD1 HIS 92 HD1 HIS 92 52.332 5.676 -7.036 687 HD2 HIS 92 HD2 HIS 92 51.415 7.325 -3.278 688 HE1 HIS 92 HE1 HIS 92 49.856 6.312 -7.121 Start of MODEL 19 1 1H MET 1 H1 MET 1 63.828 11.262 16.593 2 2H MET 1 H2 MET 1 62.419 11.748 15.919 3 3H MET 1 H3 MET 1 62.411 10.618 17.101 4 HA MET 1 HA MET 1 63.554 10.284 14.406 5 1HB MET 1 HB2 MET 1 64.843 9.050 16.119 6 2HB MET 1 HB3 MET 1 63.365 8.267 16.688 7 1HG MET 1 HG2 MET 1 63.092 7.185 14.470 8 2HG MET 1 HG3 MET 1 64.558 7.989 13.897 9 1HE MET 1 HE1 MET 1 65.342 5.580 13.061 10 2HE MET 1 HE2 MET 1 65.527 4.172 14.129 11 3HE MET 1 HE3 MET 1 63.906 4.799 13.761 12 H SER 2 H SER 2 62.158 9.586 12.865 13 HA SER 2 HA SER 2 59.883 7.887 13.546 14 1HB SER 2 HB2 SER 2 58.957 10.215 13.785 15 2HB SER 2 HB3 SER 2 59.368 10.511 12.084 16 HG SER 2 HG SER 2 57.183 9.789 12.400 17 H ASN 3 H ASN 3 59.144 6.703 11.770 18 HA ASN 3 HA ASN 3 59.936 7.217 9.057 19 1HB ASN 3 HB2 ASN 3 61.272 5.212 8.662 20 2HB ASN 3 HB3 ASN 3 62.055 6.187 9.891 21 1HD2 ASN 3 HD22 ASN 3 60.257 3.151 9.301 22 2HD2 ASN 3 HD21 ASN 3 60.728 2.443 10.845 23 HA PRO 4 HA PRO 4 56.391 4.411 8.618 24 1HB PRO 4 HB2 PRO 4 56.369 3.927 5.963 25 2HB PRO 4 HB3 PRO 4 56.067 5.567 6.611 26 1HG PRO 4 HG2 PRO 4 58.661 4.447 5.504 27 2HG PRO 4 HG3 PRO 4 57.875 6.009 5.116 28 1HD PRO 4 HD2 PRO 4 59.891 5.715 6.983 29 2HD PRO 4 HD3 PRO 4 58.646 6.988 7.097 30 HA PRO 5 HA PRO 5 57.970 0.142 8.506 31 1HB PRO 5 HB2 PRO 5 55.475 -0.431 6.905 32 2HB PRO 5 HB3 PRO 5 56.111 -1.296 8.335 33 1HG PRO 5 HG2 PRO 5 54.017 0.408 8.572 34 2HG PRO 5 HG3 PRO 5 55.316 0.390 9.809 35 1HD PRO 5 HD2 PRO 5 54.928 2.351 7.533 36 2HD PRO 5 HD3 PRO 5 55.392 2.640 9.232 37 H THR 6 H THR 6 58.319 -1.690 6.841 38 HA THR 6 HA THR 6 58.555 -0.797 4.001 39 HB THR 6 HB THR 6 60.724 -1.877 3.784 40 HG1 THR 6 HG1 THR 6 60.795 -1.770 6.610 41 1HG2 THR 6 HG21 THR 6 60.556 0.567 4.010 42 2HG2 THR 6 HG22 THR 6 60.765 0.424 5.765 43 3HG2 THR 6 HG23 THR 6 62.068 -0.074 4.661 44 HA PRO 7 HA PRO 7 56.643 -4.283 2.614 45 1HB PRO 7 HB2 PRO 7 59.098 -4.932 0.962 46 2HB PRO 7 HB3 PRO 7 57.372 -4.914 0.470 47 1HG PRO 7 HG2 PRO 7 58.971 -2.796 -0.097 48 2HG PRO 7 HG3 PRO 7 57.302 -2.531 0.507 49 1HD PRO 7 HD2 PRO 7 59.909 -2.376 2.011 50 2HD PRO 7 HD3 PRO 7 58.509 -1.320 2.100 51 H LEU 8 H LEU 8 56.204 -6.315 3.153 52 HA LEU 8 HA LEU 8 57.930 -7.797 4.943 53 1HB LEU 8 HB2 LEU 8 55.433 -7.462 5.166 54 2HB LEU 8 HB3 LEU 8 55.214 -8.532 3.786 55 HG LEU 8 HG LEU 8 56.354 -10.377 5.139 56 1HD1 LEU 8 HD11 LEU 8 56.453 -10.061 7.593 57 2HD1 LEU 8 HD12 LEU 8 57.610 -9.012 6.765 58 3HD1 LEU 8 HD13 LEU 8 56.090 -8.339 7.386 59 1HD2 LEU 8 HD21 LEU 8 54.398 -10.761 6.582 60 2HD2 LEU 8 HD22 LEU 8 53.897 -9.065 6.354 61 3HD2 LEU 8 HD23 LEU 8 53.908 -10.192 4.977 62 H LEU 9 H LEU 9 59.522 -7.796 2.940 63 HA LEU 9 HA LEU 9 59.347 -9.893 0.976 64 1HB LEU 9 HB2 LEU 9 61.765 -8.665 2.361 65 2HB LEU 9 HB3 LEU 9 61.840 -9.684 0.926 66 HG LEU 9 HG LEU 9 60.460 -6.965 1.076 67 1HD1 LEU 9 HD11 LEU 9 63.082 -7.793 -0.228 68 2HD1 LEU 9 HD12 LEU 9 62.324 -6.186 -0.316 69 3HD1 LEU 9 HD13 LEU 9 62.907 -6.802 1.238 70 1HD2 LEU 9 HD21 LEU 9 60.991 -8.794 -1.305 71 2HD2 LEU 9 HD22 LEU 9 59.397 -8.367 -0.639 72 3HD2 LEU 9 HD23 LEU 9 60.390 -7.125 -1.402 73 H ALA 10 H ALA 10 60.216 -9.917 4.358 74 HA ALA 10 HA ALA 10 59.544 -12.689 4.670 75 1HB ALA 10 HB1 ALA 10 61.694 -13.389 5.712 76 2HB ALA 10 HB2 ALA 10 61.917 -12.996 4.002 77 3HB ALA 10 HB3 ALA 10 62.429 -11.841 5.249 78 H ASP 11 H ASP 11 59.420 -13.198 7.026 79 HA ASP 11 HA ASP 11 58.227 -11.122 8.527 80 1HB ASP 11 HB2 ASP 11 59.237 -13.873 9.327 81 2HB ASP 11 HB3 ASP 11 58.305 -12.832 10.400 82 H TYR 12 H TYR 12 61.559 -11.578 8.197 83 HA TYR 12 HA TYR 12 62.152 -9.934 10.632 84 1HB TYR 12 HB2 TYR 12 62.870 -12.266 10.854 85 2HB TYR 12 HB3 TYR 12 63.768 -12.160 9.350 86 HD1 TYR 12 HD1 TYR 12 66.033 -11.428 9.343 87 HD2 TYR 12 HD2 TYR 12 63.568 -10.751 12.822 88 HE1 TYR 12 HE1 TYR 12 68.036 -10.688 10.616 89 HE2 TYR 12 HE2 TYR 12 65.582 -10.008 14.096 90 HH TYR 12 HH TYR 12 68.847 -9.922 12.615 91 H GLU 13 H GLU 13 62.454 -10.053 7.149 92 HA GLU 13 HA GLU 13 64.891 -8.589 6.846 93 1HB GLU 13 HB2 GLU 13 63.719 -9.934 5.090 94 2HB GLU 13 HB3 GLU 13 62.464 -8.702 5.008 95 1HG GLU 13 HG2 GLU 13 64.018 -8.450 3.163 96 2HG GLU 13 HG3 GLU 13 64.116 -7.046 4.214 97 H TRP 14 H TRP 14 61.557 -7.490 7.225 98 HA TRP 14 HA TRP 14 62.030 -4.674 6.874 99 1HB TRP 14 HB2 TRP 14 59.770 -4.431 7.600 100 2HB TRP 14 HB3 TRP 14 59.883 -5.789 6.514 101 HD1 TRP 14 HD1 TRP 14 60.913 -7.599 9.347 102 HE1 TRP 14 HE1 TRP 14 59.009 -8.650 10.650 103 HE3 TRP 14 HE3 TRP 14 57.044 -4.776 7.520 104 HZ2 TRP 14 HZ2 TRP 14 56.179 -8.193 11.044 105 HZ3 TRP 14 HZ3 TRP 14 54.742 -5.107 8.397 106 HH2 TRP 14 HH2 TRP 14 54.299 -6.802 10.161 107 H SER 15 H SER 15 63.106 -6.578 9.459 108 HA SER 15 HA SER 15 62.305 -5.126 11.743 109 1HB SER 15 HB2 SER 15 64.153 -6.200 12.914 110 2HB SER 15 HB3 SER 15 63.275 -7.352 11.898 111 HG SER 15 HG SER 15 64.922 -7.490 10.548 112 H GLY 16 H GLY 16 64.841 -4.298 9.468 113 1HA GLY 16 HA2 GLY 16 66.365 -2.413 10.915 114 2HA GLY 16 HA3 GLY 16 66.019 -2.369 9.176 115 H TYR 17 H TYR 17 63.124 -2.114 9.701 116 HA TYR 17 HA TYR 17 63.016 0.826 10.310 117 1HB TYR 17 HB2 TYR 17 61.433 -0.835 8.323 118 2HB TYR 17 HB3 TYR 17 61.199 0.877 8.622 119 HD1 TYR 17 HD1 TYR 17 62.726 2.558 7.754 120 HD2 TYR 17 HD2 TYR 17 63.502 -1.648 7.169 121 HE1 TYR 17 HE1 TYR 17 64.459 3.108 6.044 122 HE2 TYR 17 HE2 TYR 17 65.242 -1.097 5.482 123 HH TYR 17 HH TYR 17 66.332 0.566 4.344 124 H LEU 18 H LEU 18 61.323 -2.258 10.789 125 HA LEU 18 HA LEU 18 59.232 -1.051 12.446 126 1HB LEU 18 HB2 LEU 18 60.194 -3.884 11.875 127 2HB LEU 18 HB3 LEU 18 59.081 -3.598 13.190 128 HG LEU 18 HG LEU 18 58.017 -4.393 11.114 129 1HD1 LEU 18 HD11 LEU 18 57.019 -1.626 11.863 130 2HD1 LEU 18 HD12 LEU 18 56.088 -2.981 11.210 131 3HD1 LEU 18 HD13 LEU 18 56.760 -3.091 12.844 132 1HD2 LEU 18 HD21 LEU 18 58.548 -1.620 9.975 133 2HD2 LEU 18 HD22 LEU 18 59.353 -3.115 9.452 134 3HD2 LEU 18 HD23 LEU 18 57.609 -2.931 9.233 135 H THR 19 H THR 19 62.439 -2.135 12.996 136 HA THR 19 HA THR 19 63.489 -2.690 15.082 137 HB THR 19 HB THR 19 64.539 -1.161 13.573 138 HG1 THR 19 HG1 THR 19 65.878 -0.146 15.045 139 1HG2 THR 19 HG21 THR 19 62.692 0.662 13.625 140 2HG2 THR 19 HG22 THR 19 63.500 1.250 15.093 141 3HG2 THR 19 HG23 THR 19 64.379 1.179 13.562 142 H GLY 20 H GLY 20 61.510 0.186 15.642 143 1HA GLY 20 HA2 GLY 20 60.905 -0.453 18.416 144 2HA GLY 20 HA3 GLY 20 62.064 0.875 18.264 145 H ILE 21 H ILE 21 61.239 2.205 16.046 146 HA ILE 21 HA ILE 21 58.967 3.748 16.713 147 HB ILE 21 HB ILE 21 60.201 3.224 13.971 148 1HG1 ILE 21 HG12 ILE 21 61.991 3.974 15.414 149 2HG1 ILE 21 HG13 ILE 21 61.541 5.290 14.353 150 1HG2 ILE 21 HG21 ILE 21 59.388 5.536 13.434 151 2HG2 ILE 21 HG22 ILE 21 58.091 4.374 13.679 152 3HG2 ILE 21 HG23 ILE 21 58.477 5.542 14.960 153 1HD1 ILE 21 HD11 ILE 21 60.770 5.043 17.295 154 2HD1 ILE 21 HD12 ILE 21 61.988 6.119 16.602 155 3HD1 ILE 21 HD13 ILE 21 60.278 6.370 16.216 156 H GLY 22 H GLY 22 59.227 1.151 14.290 157 1HA GLY 22 HA2 GLY 22 56.488 1.429 13.439 158 2HA GLY 22 HA3 GLY 22 57.646 0.198 12.941 159 H ARG 23 H ARG 23 58.193 -1.123 15.317 160 HA ARG 23 HA ARG 23 55.948 -2.821 15.744 161 1HB ARG 23 HB2 ARG 23 57.244 -3.902 17.452 162 2HB ARG 23 HB3 ARG 23 58.292 -3.519 16.086 163 1HG ARG 23 HG2 ARG 23 59.195 -1.573 17.289 164 2HG ARG 23 HG3 ARG 23 58.135 -1.870 18.666 165 1HD ARG 23 HD2 ARG 23 60.187 -3.884 17.675 166 2HD ARG 23 HD3 ARG 23 60.521 -2.651 18.899 167 HE ARG 23 HE ARG 23 58.174 -4.177 19.626 168 1HH1 ARG 23 HH21 ARG 23 61.674 -4.386 19.690 169 2HH1 ARG 23 HH22 ARG 23 61.667 -5.428 21.088 170 1HH2 ARG 23 HH11 ARG 23 58.220 -5.449 21.376 171 2HH2 ARG 23 HH12 ARG 23 59.748 -6.002 22.044 172 H ALA 24 H ALA 24 56.609 0.243 17.312 173 HA ALA 24 HA ALA 24 55.248 -0.483 19.708 174 1HB ALA 24 HB1 ALA 24 55.453 1.987 20.236 175 2HB ALA 24 HB2 ALA 24 56.973 1.285 19.666 176 3HB ALA 24 HB3 ALA 24 55.984 2.268 18.562 177 H PHE 25 H PHE 25 53.839 0.197 16.753 178 HA PHE 25 HA PHE 25 51.196 0.728 18.044 179 1HB PHE 25 HB2 PHE 25 51.951 0.784 15.097 180 2HB PHE 25 HB3 PHE 25 50.435 1.321 15.808 181 HD1 PHE 25 HD1 PHE 25 53.892 2.229 15.038 182 HD2 PHE 25 HD2 PHE 25 50.387 3.390 17.271 183 HE1 PHE 25 HE1 PHE 25 54.825 4.510 15.318 184 HE2 PHE 25 HE2 PHE 25 51.322 5.677 17.542 185 HZ PHE 25 HZ PHE 25 53.542 6.240 16.567 186 H ASP 26 H ASP 26 52.970 -1.839 17.708 187 HA ASP 26 HA ASP 26 50.890 -3.732 16.690 188 1HB ASP 26 HB2 ASP 26 52.681 -2.907 15.046 189 2HB ASP 26 HB3 ASP 26 53.869 -3.647 16.105 190 H ASP 27 H ASP 27 53.227 -3.077 19.173 191 HA ASP 27 HA ASP 27 54.307 -5.564 19.661 192 1HB ASP 27 HB2 ASP 27 54.932 -3.244 20.554 193 2HB ASP 27 HB3 ASP 27 53.758 -3.526 21.837 194 H GLY 28 H GLY 28 51.072 -4.681 20.460 195 1HA GLY 28 HA2 GLY 28 50.657 -7.097 22.180 196 2HA GLY 28 HA3 GLY 28 49.536 -5.750 21.984 197 H VAL 29 H VAL 29 50.751 -6.555 18.955 198 HA VAL 29 HA VAL 29 48.561 -8.488 18.324 199 HB VAL 29 HB VAL 29 49.312 -6.412 16.290 200 1HG1 VAL 29 HG11 VAL 29 47.795 -8.318 15.727 201 2HG1 VAL 29 HG12 VAL 29 46.708 -7.830 17.032 202 3HG1 VAL 29 HG13 VAL 29 46.953 -6.766 15.628 203 1HG2 VAL 29 HG21 VAL 29 48.827 -4.958 18.185 204 2HG2 VAL 29 HG22 VAL 29 47.482 -4.925 17.048 205 3HG2 VAL 29 HG23 VAL 29 47.341 -5.873 18.546 206 H LYS 30 H LYS 30 51.905 -7.640 17.871 207 HA LYS 30 HA LYS 30 52.680 -9.227 15.720 208 1HB LYS 30 HB2 LYS 30 54.844 -9.448 16.833 209 2HB LYS 30 HB3 LYS 30 54.214 -7.805 16.952 210 1HG LYS 30 HG2 LYS 30 53.453 -8.263 19.279 211 2HG LYS 30 HG3 LYS 30 54.128 -9.891 19.187 212 1HD LYS 30 HD2 LYS 30 55.749 -7.324 18.877 213 2HD LYS 30 HD3 LYS 30 55.558 -8.223 20.388 214 1HE LYS 30 HE2 LYS 30 56.550 -10.242 19.299 215 2HE LYS 30 HE3 LYS 30 56.820 -9.300 17.825 216 1HZ LYS 30 HZ1 LYS 30 58.805 -9.374 19.238 217 2HZ LYS 30 HZ2 LYS 30 58.280 -7.834 19.101 218 3HZ LYS 30 HZ3 LYS 30 58.007 -8.674 20.478 219 H ASP 31 H ASP 31 51.359 -10.375 18.693 220 HA ASP 31 HA ASP 31 52.034 -13.106 18.716 221 1HB ASP 31 HB2 ASP 31 50.713 -11.855 20.433 222 2HB ASP 31 HB3 ASP 31 49.363 -11.751 19.297 223 H LEU 32 H LEU 32 49.619 -11.417 16.694 224 HA LEU 32 HA LEU 32 48.471 -13.805 15.561 225 1HB LEU 32 HB2 LEU 32 47.721 -11.213 15.778 226 2HB LEU 32 HB3 LEU 32 48.434 -11.121 14.192 227 HG LEU 32 HG LEU 32 46.061 -12.791 15.142 228 1HD1 LEU 32 HD11 LEU 32 46.369 -10.622 13.021 229 2HD1 LEU 32 HD12 LEU 32 44.862 -11.481 13.410 230 3HD1 LEU 32 HD13 LEU 32 45.624 -10.437 14.620 231 1HD2 LEU 32 HD21 LEU 32 47.168 -14.281 13.607 232 2HD2 LEU 32 HD22 LEU 32 45.796 -13.564 12.768 233 3HD2 LEU 32 HD23 LEU 32 47.441 -12.967 12.446 234 H ASN 33 H ASN 33 51.054 -11.575 14.573 235 HA ASN 33 HA ASN 33 51.676 -12.893 12.063 236 1HB ASN 33 HB2 ASN 33 52.540 -10.627 12.508 237 2HB ASN 33 HB3 ASN 33 53.459 -11.223 13.885 238 1HD2 ASN 33 HD22 ASN 33 53.230 -11.462 10.284 239 2HD2 ASN 33 HD21 ASN 33 54.859 -12.113 10.111 240 H LYS 34 H LYS 34 52.748 -13.466 15.422 241 HA LYS 34 HA LYS 34 54.543 -15.600 14.692 242 1HB LYS 34 HB2 LYS 34 54.715 -14.340 16.824 243 2HB LYS 34 HB3 LYS 34 53.214 -15.074 17.382 244 1HG LYS 34 HG2 LYS 34 55.157 -16.174 18.368 245 2HG LYS 34 HG3 LYS 34 54.246 -17.303 17.367 246 1HD LYS 34 HD2 LYS 34 55.915 -17.039 15.538 247 2HD LYS 34 HD3 LYS 34 56.809 -15.864 16.528 248 1HE LYS 34 HE2 LYS 34 57.195 -17.633 18.233 249 2HE LYS 34 HE3 LYS 34 56.253 -18.774 17.261 250 1HZ LYS 34 HZ1 LYS 34 57.902 -18.473 15.464 251 2HZ LYS 34 HZ2 LYS 34 58.803 -17.503 16.426 252 3HZ LYS 34 HZ3 LYS 34 58.600 -19.074 16.821 253 H GLN 35 H GLN 35 51.104 -15.636 15.577 254 HA GLN 35 HA GLN 35 50.708 -18.485 15.435 255 1HB GLN 35 HB2 GLN 35 48.830 -16.195 14.707 256 2HB GLN 35 HB3 GLN 35 48.366 -17.890 14.725 257 1HG GLN 35 HG2 GLN 35 48.778 -18.045 17.123 258 2HG GLN 35 HG3 GLN 35 49.379 -16.393 17.173 259 1HE2 GLN 35 HE22 GLN 35 47.771 -15.185 18.300 260 2HE2 GLN 35 HE21 GLN 35 46.070 -15.283 17.860 261 H LEU 36 H LEU 36 50.665 -15.978 12.905 262 HA LEU 36 HA LEU 36 50.099 -17.792 10.731 263 1HB LEU 36 HB2 LEU 36 49.629 -15.367 10.782 264 2HB LEU 36 HB3 LEU 36 51.364 -15.075 10.606 265 HG LEU 36 HG LEU 36 51.373 -16.300 8.458 266 1HD1 LEU 36 HD11 LEU 36 49.207 -16.794 7.311 267 2HD1 LEU 36 HD12 LEU 36 49.538 -17.929 8.640 268 3HD1 LEU 36 HD13 LEU 36 48.371 -16.609 8.844 269 1HD2 LEU 36 HD21 LEU 36 50.122 -14.585 7.254 270 2HD2 LEU 36 HD22 LEU 36 49.080 -14.351 8.671 271 3HD2 LEU 36 HD23 LEU 36 50.788 -13.849 8.717 272 H GLN 37 H GLN 37 53.187 -16.540 12.034 273 HA GLN 37 HA GLN 37 54.826 -17.899 10.116 274 1HB GLN 37 HB2 GLN 37 55.512 -15.979 11.538 275 2HB GLN 37 HB3 GLN 37 55.486 -17.006 12.966 276 1HG GLN 37 HG2 GLN 37 57.231 -17.601 10.535 277 2HG GLN 37 HG3 GLN 37 57.747 -16.499 11.802 278 1HE2 GLN 37 HE22 GLN 37 58.432 -19.507 10.845 279 2HE2 GLN 37 HE21 GLN 37 58.672 -20.254 12.415 280 H ASP 38 H ASP 38 53.448 -18.952 13.234 281 HA ASP 38 HA ASP 38 54.650 -21.567 13.233 282 1HB ASP 38 HB2 ASP 38 53.591 -20.541 15.213 283 2HB ASP 38 HB3 ASP 38 52.015 -20.644 14.437 284 H ALA 39 H ALA 39 51.629 -20.330 11.764 285 HA ALA 39 HA ALA 39 50.842 -22.809 10.582 286 1HB ALA 39 HB1 ALA 39 49.612 -20.370 10.617 287 2HB ALA 39 HB2 ALA 39 50.345 -20.274 9.021 288 3HB ALA 39 HB3 ALA 39 49.271 -21.634 9.365 289 H GLN 40 H GLN 40 52.874 -20.207 9.356 290 HA GLN 40 HA GLN 40 53.506 -21.322 6.810 291 1HB GLN 40 HB2 GLN 40 53.734 -18.890 7.742 292 2HB GLN 40 HB3 GLN 40 55.191 -19.443 8.546 293 1HG GLN 40 HG2 GLN 40 56.290 -19.862 6.413 294 2HG GLN 40 HG3 GLN 40 54.790 -19.519 5.535 295 1HE2 GLN 40 HE22 GLN 40 57.042 -17.946 7.926 296 2HE2 GLN 40 HE21 GLN 40 56.758 -16.313 7.336 297 H ALA 41 H ALA 41 54.916 -21.927 10.004 298 HA ALA 41 HA ALA 41 57.062 -23.601 8.886 299 1HB ALA 41 HB1 ALA 41 57.445 -22.363 10.933 300 2HB ALA 41 HB2 ALA 41 56.139 -23.270 11.751 301 3HB ALA 41 HB3 ALA 41 57.605 -24.114 11.170 302 H ASN 42 H ASN 42 53.811 -24.302 10.240 303 HA ASN 42 HA ASN 42 54.186 -27.188 9.934 304 1HB ASN 42 HB2 ASN 42 52.183 -26.168 11.206 305 2HB ASN 42 HB3 ASN 42 51.566 -25.633 9.647 306 1HD2 ASN 42 HD22 ASN 42 49.669 -26.949 10.404 307 2HD2 ASN 42 HD21 ASN 42 49.734 -28.680 10.110 308 H LEU 43 H LEU 43 53.190 -24.518 7.811 309 HA LEU 43 HA LEU 43 52.986 -26.118 5.471 310 1HB LEU 43 HB2 LEU 43 52.151 -23.602 6.089 311 2HB LEU 43 HB3 LEU 43 53.696 -23.185 5.371 312 HG LEU 43 HG LEU 43 53.120 -24.515 3.392 313 1HD1 LEU 43 HD11 LEU 43 50.535 -24.878 3.214 314 2HD1 LEU 43 HD12 LEU 43 51.387 -26.006 4.228 315 3HD1 LEU 43 HD13 LEU 43 50.536 -24.623 5.000 316 1HD2 LEU 43 HD21 LEU 43 51.511 -23.008 2.401 317 2HD2 LEU 43 HD22 LEU 43 51.091 -22.355 4.009 318 3HD2 LEU 43 HD23 LEU 43 52.729 -22.098 3.329 319 H THR 44 H THR 44 55.773 -24.413 6.925 320 HA THR 44 HA THR 44 57.485 -24.922 4.728 321 HB THR 44 HB THR 44 58.178 -24.705 7.671 322 HG1 THR 44 HG1 THR 44 57.378 -22.839 6.531 323 1HG2 THR 44 HG21 THR 44 59.937 -25.936 6.769 324 2HG2 THR 44 HG22 THR 44 59.932 -24.998 5.247 325 3HG2 THR 44 HG23 THR 44 60.491 -24.247 6.789 326 H LYS 45 H LYS 45 56.617 -26.943 7.480 327 HA LYS 45 HA LYS 45 58.316 -29.200 6.931 328 1HB LYS 45 HB2 LYS 45 55.696 -28.801 8.414 329 2HB LYS 45 HB3 LYS 45 56.482 -30.386 8.307 330 1HG LYS 45 HG2 LYS 45 58.488 -29.486 9.399 331 2HG LYS 45 HG3 LYS 45 57.743 -27.876 9.474 332 1HD LYS 45 HD2 LYS 45 55.950 -28.720 10.920 333 2HD LYS 45 HD3 LYS 45 56.618 -30.368 10.819 334 1HE LYS 45 HE2 LYS 45 58.743 -29.557 11.815 335 2HE LYS 45 HE3 LYS 45 58.072 -27.925 11.930 336 1HZ LYS 45 HZ1 LYS 45 57.874 -29.138 14.036 337 2HZ LYS 45 HZ2 LYS 45 56.387 -28.793 13.462 338 3HZ LYS 45 HZ3 LYS 45 56.983 -30.311 13.336 339 H ASN 46 H ASN 46 55.140 -28.372 5.592 340 HA ASN 46 HA ASN 46 55.780 -29.979 3.285 341 1HB ASN 46 HB2 ASN 46 54.706 -31.562 4.834 342 2HB ASN 46 HB3 ASN 46 53.322 -30.496 4.876 343 1HD2 ASN 46 HD22 ASN 46 53.327 -33.297 4.012 344 2HD2 ASN 46 HD21 ASN 46 53.025 -33.344 2.281 345 HA PRO 47 HA PRO 47 54.511 -25.749 2.322 346 1HB PRO 47 HB2 PRO 47 55.399 -26.811 -0.330 347 2HB PRO 47 HB3 PRO 47 55.557 -25.148 0.371 348 1HG PRO 47 HG2 PRO 47 57.627 -26.917 0.535 349 2HG PRO 47 HG3 PRO 47 57.196 -25.868 1.924 350 1HD PRO 47 HD2 PRO 47 56.725 -28.793 1.604 351 2HD PRO 47 HD3 PRO 47 56.908 -27.819 3.059 352 H SER 48 H SER 48 53.097 -28.491 0.413 353 HA SER 48 HA SER 48 50.640 -26.939 0.596 354 1HB SER 48 HB2 SER 48 50.075 -27.686 -1.586 355 2HB SER 48 HB3 SER 48 51.686 -26.945 -1.587 356 HG SER 48 HG SER 48 51.651 -28.910 -2.811 357 H ASP 49 H ASP 49 51.520 -28.789 2.528 358 HA ASP 49 HA ASP 49 49.723 -31.089 2.493 359 1HB ASP 49 HB2 ASP 49 51.408 -31.200 4.048 360 2HB ASP 49 HB3 ASP 49 51.226 -29.613 4.683 361 HA PRO 50 HA PRO 50 46.310 -28.433 2.305 362 1HB PRO 50 HB2 PRO 50 44.233 -30.117 2.745 363 2HB PRO 50 HB3 PRO 50 45.238 -30.027 1.232 364 1HG PRO 50 HG2 PRO 50 45.418 -31.983 3.570 365 2HG PRO 50 HG3 PRO 50 45.497 -32.364 1.819 366 1HD PRO 50 HD2 PRO 50 47.729 -32.045 3.436 367 2HD PRO 50 HD3 PRO 50 47.728 -31.631 1.689 368 H THR 51 H THR 51 46.627 -30.254 5.342 369 HA THR 51 HA THR 51 44.706 -28.502 6.817 370 HB THR 51 HB THR 51 46.636 -30.674 7.449 371 HG1 THR 51 HG1 THR 51 44.521 -31.213 6.971 372 1HG2 THR 51 HG21 THR 51 47.186 -29.166 9.246 373 2HG2 THR 51 HG22 THR 51 45.457 -28.803 9.503 374 3HG2 THR 51 HG23 THR 51 46.112 -30.419 9.886 375 H ALA 52 H ALA 52 48.278 -28.785 6.384 376 HA ALA 52 HA ALA 52 48.941 -26.441 7.937 377 1HB ALA 52 HB1 ALA 52 50.229 -27.689 5.427 378 2HB ALA 52 HB2 ALA 52 51.021 -26.586 6.566 379 3HB ALA 52 HB3 ALA 52 50.559 -28.235 7.066 380 H LEU 53 H LEU 53 48.061 -26.756 4.542 381 HA LEU 53 HA LEU 53 48.344 -23.939 4.119 382 1HB LEU 53 HB2 LEU 53 48.711 -25.899 2.603 383 2HB LEU 53 HB3 LEU 53 46.975 -26.042 2.379 384 HG LEU 53 HG LEU 53 46.943 -24.275 0.887 385 1HD1 LEU 53 HD11 LEU 53 47.629 -22.455 2.324 386 2HD1 LEU 53 HD12 LEU 53 49.304 -23.073 2.338 387 3HD1 LEU 53 HD13 LEU 53 48.613 -22.425 0.836 388 1HD2 LEU 53 HD21 LEU 53 49.924 -24.921 0.924 389 2HD2 LEU 53 HD22 LEU 53 48.644 -26.006 0.236 390 3HD2 LEU 53 HD23 LEU 53 48.964 -24.406 -0.487 391 H ALA 54 H ALA 54 45.517 -26.053 4.747 392 HA ALA 54 HA ALA 54 43.507 -24.051 4.645 393 1HB ALA 54 HB1 ALA 54 42.339 -25.644 6.284 394 2HB ALA 54 HB2 ALA 54 42.938 -26.438 4.822 395 3HB ALA 54 HB3 ALA 54 43.838 -26.602 6.345 396 H ASN 55 H ASN 55 45.693 -25.070 7.253 397 HA ASN 55 HA ASN 55 44.693 -23.405 9.299 398 1HB ASN 55 HB2 ASN 55 46.081 -25.355 9.752 399 2HB ASN 55 HB3 ASN 55 47.381 -24.726 8.762 400 1HD2 ASN 55 HD22 ASN 55 49.029 -24.004 9.815 401 2HD2 ASN 55 HD21 ASN 55 48.960 -23.356 11.466 402 H TYR 56 H TYR 56 47.600 -23.028 7.257 403 HA TYR 56 HA TYR 56 48.164 -20.293 7.864 404 1HB TYR 56 HB2 TYR 56 49.742 -21.691 6.754 405 2HB TYR 56 HB3 TYR 56 48.645 -22.038 5.429 406 HD1 TYR 56 HD1 TYR 56 48.550 -20.586 3.511 407 HD2 TYR 56 HD2 TYR 56 51.053 -19.651 6.898 408 HE1 TYR 56 HE1 TYR 56 50.026 -19.206 2.047 409 HE2 TYR 56 HE2 TYR 56 52.512 -18.269 5.441 410 HH TYR 56 HH TYR 56 52.967 -17.587 3.302 411 H GLN 57 H GLN 57 45.895 -21.483 5.347 412 HA GLN 57 HA GLN 57 45.247 -18.815 4.491 413 1HB GLN 57 HB2 GLN 57 43.789 -21.462 4.263 414 2HB GLN 57 HB3 GLN 57 43.082 -19.968 3.661 415 1HG GLN 57 HG2 GLN 57 45.840 -20.934 2.797 416 2HG GLN 57 HG3 GLN 57 44.356 -21.340 1.942 417 1HE2 GLN 57 HE22 GLN 57 46.891 -19.049 2.100 418 2HE2 GLN 57 HE21 GLN 57 46.091 -17.797 1.164 419 H MET 58 H MET 58 43.766 -20.885 7.021 420 HA MET 58 HA MET 58 41.637 -19.080 7.699 421 1HB MET 58 HB2 MET 58 41.563 -21.436 8.219 422 2HB MET 58 HB3 MET 58 43.027 -21.350 9.189 423 1HG MET 58 HG2 MET 58 40.531 -19.802 9.910 424 2HG MET 58 HG3 MET 58 40.723 -21.489 10.354 425 1HE MET 58 HE1 MET 58 43.554 -21.520 13.001 426 2HE MET 58 HE2 MET 58 42.271 -22.447 12.195 427 3HE MET 58 HE3 MET 58 43.695 -21.906 11.278 428 H ILE 59 H ILE 59 44.915 -19.478 9.139 429 HA ILE 59 HA ILE 59 44.552 -17.350 11.050 430 HB ILE 59 HB ILE 59 46.972 -18.800 9.916 431 1HG1 ILE 59 HG12 ILE 59 45.571 -19.085 12.633 432 2HG1 ILE 59 HG13 ILE 59 45.319 -20.182 11.275 433 1HG2 ILE 59 HG21 ILE 59 46.862 -17.074 12.415 434 2HG2 ILE 59 HG22 ILE 59 48.265 -17.919 11.694 435 3HG2 ILE 59 HG23 ILE 59 47.555 -16.539 10.875 436 1HD1 ILE 59 HD11 ILE 59 46.898 -21.146 12.823 437 2HD1 ILE 59 HD12 ILE 59 47.644 -20.803 11.241 438 3HD1 ILE 59 HD13 ILE 59 47.988 -19.768 12.646 439 H MET 60 H MET 60 45.867 -17.521 7.719 440 HA MET 60 HA MET 60 46.724 -14.830 7.673 441 1HB MET 60 HB2 MET 60 47.351 -16.662 6.073 442 2HB MET 60 HB3 MET 60 45.827 -16.350 5.223 443 1HG MET 60 HG2 MET 60 46.603 -13.987 4.921 444 2HG MET 60 HG3 MET 60 48.028 -14.371 5.924 445 1HE MET 60 HE1 MET 60 49.281 -17.060 4.976 446 2HE MET 60 HE2 MET 60 50.435 -16.233 3.896 447 3HE MET 60 HE3 MET 60 49.935 -15.458 5.407 448 H SER 61 H SER 61 43.557 -16.248 6.947 449 HA SER 61 HA SER 61 42.211 -13.924 6.006 450 1HB SER 61 HB2 SER 61 41.328 -16.262 5.985 451 2HB SER 61 HB3 SER 61 41.083 -16.172 7.731 452 HG SER 61 HG SER 61 39.188 -15.638 6.514 453 H GLU 62 H GLU 62 42.769 -15.065 9.366 454 HA GLU 62 HA GLU 62 41.579 -12.750 10.639 455 1HB GLU 62 HB2 GLU 62 43.552 -14.870 11.618 456 2HB GLU 62 HB3 GLU 62 42.868 -13.621 12.653 457 1HG GLU 62 HG2 GLU 62 41.220 -15.691 11.126 458 2HG GLU 62 HG3 GLU 62 41.736 -15.852 12.797 459 H TYR 63 H TYR 63 44.938 -13.569 9.806 460 HA TYR 63 HA TYR 63 46.215 -11.318 10.949 461 1HB TYR 63 HB2 TYR 63 47.398 -13.325 10.208 462 2HB TYR 63 HB3 TYR 63 46.921 -13.039 8.546 463 HD1 TYR 63 HD1 TYR 63 48.182 -11.823 7.061 464 HD2 TYR 63 HD2 TYR 63 48.981 -11.538 11.297 465 HE1 TYR 63 HE1 TYR 63 50.327 -10.717 6.566 466 HE2 TYR 63 HE2 TYR 63 51.116 -10.353 10.796 467 HH TYR 63 HH TYR 63 52.260 -9.811 7.462 468 H ASN 64 H ASN 64 44.883 -11.723 7.692 469 HA ASN 64 HA ASN 64 45.906 -9.290 6.631 470 1HB ASN 64 HB2 ASN 64 45.210 -11.235 5.267 471 2HB ASN 64 HB3 ASN 64 43.529 -10.992 5.749 472 1HD2 ASN 64 HD22 ASN 64 46.238 -9.576 3.893 473 2HD2 ASN 64 HD21 ASN 64 45.204 -8.552 2.910 474 H LEU 65 H LEU 65 42.896 -10.042 8.351 475 HA LEU 65 HA LEU 65 41.499 -7.605 7.828 476 1HB LEU 65 HB2 LEU 65 40.444 -9.689 8.639 477 2HB LEU 65 HB3 LEU 65 41.316 -9.550 10.164 478 HG LEU 65 HG LEU 65 40.088 -7.450 10.686 479 1HD1 LEU 65 HD11 LEU 65 38.556 -8.062 8.117 480 2HD1 LEU 65 HD12 LEU 65 38.071 -6.872 9.346 481 3HD1 LEU 65 HD13 LEU 65 39.559 -6.626 8.430 482 1HD2 LEU 65 HD21 LEU 65 37.920 -8.507 11.126 483 2HD2 LEU 65 HD22 LEU 65 38.294 -9.801 9.965 484 3HD2 LEU 65 HD23 LEU 65 39.246 -9.633 11.456 485 H TYR 66 H TYR 66 43.622 -8.525 10.550 486 HA TYR 66 HA TYR 66 43.509 -5.938 11.853 487 1HB TYR 66 HB2 TYR 66 45.294 -8.355 12.068 488 2HB TYR 66 HB3 TYR 66 45.781 -6.844 12.824 489 HD1 TYR 66 HD1 TYR 66 44.669 -5.940 14.765 490 HD2 TYR 66 HD2 TYR 66 43.217 -9.533 12.867 491 HE1 TYR 66 HE1 TYR 66 43.267 -6.436 16.765 492 HE2 TYR 66 HE2 TYR 66 41.816 -10.024 14.861 493 HH TYR 66 HH TYR 66 41.179 -9.346 16.957 494 H ARG 67 H ARG 67 45.684 -7.286 9.389 495 HA ARG 67 HA ARG 67 47.426 -4.994 9.131 496 1HB ARG 67 HB2 ARG 67 46.860 -7.472 7.624 497 2HB ARG 67 HB3 ARG 67 47.120 -6.106 6.557 498 1HG ARG 67 HG2 ARG 67 49.209 -7.060 6.793 499 2HG ARG 67 HG3 ARG 67 49.290 -5.628 7.810 500 1HD ARG 67 HD2 ARG 67 48.674 -8.425 8.871 501 2HD ARG 67 HD3 ARG 67 50.310 -7.818 8.663 502 HE ARG 67 HE ARG 67 49.842 -6.019 10.270 503 1HH1 ARG 67 HH21 ARG 67 47.665 -8.763 10.485 504 2HH1 ARG 67 HH22 ARG 67 47.668 -8.717 12.231 505 1HH2 ARG 67 HH11 ARG 67 49.746 -6.010 12.497 506 2HH2 ARG 67 HH12 ARG 67 48.724 -7.139 13.313 507 H ASN 68 H ASN 68 44.345 -5.755 7.472 508 HA ASN 68 HA ASN 68 44.193 -3.318 5.985 509 1HB ASN 68 HB2 ASN 68 42.871 -5.382 5.507 510 2HB ASN 68 HB3 ASN 68 41.949 -5.124 6.987 511 1HD2 ASN 68 HD22 ASN 68 40.111 -3.818 6.834 512 2HD2 ASN 68 HD21 ASN 68 39.773 -2.810 5.437 513 H ALA 69 H ALA 69 43.011 -4.031 9.267 514 HA ALA 69 HA ALA 69 41.797 -1.478 9.549 515 1HB ALA 69 HB1 ALA 69 42.903 -3.365 11.692 516 2HB ALA 69 HB2 ALA 69 41.771 -2.027 11.983 517 3HB ALA 69 HB3 ALA 69 41.266 -3.415 10.999 518 H GLN 70 H GLN 70 45.105 -2.573 10.429 519 HA GLN 70 HA GLN 70 46.061 -0.060 11.409 520 1HB GLN 70 HB2 GLN 70 47.132 -2.352 11.650 521 2HB GLN 70 HB3 GLN 70 47.611 -2.246 9.959 522 1HG GLN 70 HG2 GLN 70 49.516 -1.609 11.186 523 2HG GLN 70 HG3 GLN 70 48.877 -0.089 10.579 524 1HE2 GLN 70 HE22 GLN 70 49.400 -2.090 13.460 525 2HE2 GLN 70 HE21 GLN 70 49.068 -0.825 14.619 526 H SER 71 H SER 71 46.089 -1.454 8.095 527 HA SER 71 HA SER 71 47.380 0.728 6.781 528 1HB SER 71 HB2 SER 71 45.334 -1.236 5.672 529 2HB SER 71 HB3 SER 71 46.371 -0.165 4.715 530 HG SER 71 HG SER 71 47.162 -2.298 6.425 531 H SER 72 H SER 72 43.907 0.189 7.488 532 HA SER 72 HA SER 72 42.918 2.511 6.127 533 1HB SER 72 HB2 SER 72 41.789 1.064 8.557 534 2HB SER 72 HB3 SER 72 40.939 2.275 7.582 535 HG SER 72 HG SER 72 41.903 -0.272 6.744 536 H ALA 73 H ALA 73 44.091 2.090 9.518 537 HA ALA 73 HA ALA 73 43.557 4.761 10.355 538 1HB ALA 73 HB1 ALA 73 45.126 4.273 12.166 539 2HB ALA 73 HB2 ALA 73 44.077 2.872 11.878 540 3HB ALA 73 HB3 ALA 73 45.754 2.865 11.289 541 H VAL 74 H VAL 74 46.456 3.388 8.759 542 HA VAL 74 HA VAL 74 47.974 5.820 8.656 543 HB VAL 74 HB VAL 74 48.031 3.179 7.154 544 1HG1 VAL 74 HG11 VAL 74 50.273 3.839 6.347 545 2HG1 VAL 74 HG12 VAL 74 48.968 4.782 5.623 546 3HG1 VAL 74 HG13 VAL 74 49.964 5.501 6.918 547 1HG2 VAL 74 HG21 VAL 74 48.697 3.153 9.559 548 2HG2 VAL 74 HG22 VAL 74 50.063 2.811 8.494 549 3HG2 VAL 74 HG23 VAL 74 49.895 4.420 9.230 550 H LYS 75 H LYS 75 45.672 4.322 6.317 551 HA LYS 75 HA LYS 75 45.919 6.314 4.295 552 1HB LYS 75 HB2 LYS 75 44.825 4.069 4.052 553 2HB LYS 75 HB3 LYS 75 43.486 4.632 5.037 554 1HG LYS 75 HG2 LYS 75 42.908 4.675 2.675 555 2HG LYS 75 HG3 LYS 75 42.861 6.293 3.360 556 1HD LYS 75 HD2 LYS 75 43.812 6.300 1.109 557 2HD LYS 75 HD3 LYS 75 45.009 6.851 2.281 558 1HE LYS 75 HE2 LYS 75 46.063 4.595 2.270 559 2HE LYS 75 HE3 LYS 75 44.830 4.021 1.139 560 1HZ LYS 75 HZ1 LYS 75 45.656 5.627 -0.489 561 2HZ LYS 75 HZ2 LYS 75 46.784 6.186 0.554 562 3HZ LYS 75 HZ3 LYS 75 46.876 4.660 -0.011 563 H SER 76 H SER 76 43.746 6.255 7.156 564 HA SER 76 HA SER 76 42.570 8.837 6.672 565 1HB SER 76 HB2 SER 76 43.031 7.329 9.273 566 2HB SER 76 HB3 SER 76 42.064 8.807 9.109 567 HG SER 76 HG SER 76 40.787 6.884 8.976 568 H MET 77 H MET 77 45.539 7.917 8.524 569 HA MET 77 HA MET 77 46.190 10.557 9.372 570 1HB MET 77 HB2 MET 77 47.153 8.439 10.264 571 2HB MET 77 HB3 MET 77 48.103 8.261 8.781 572 1HG MET 77 HG2 MET 77 49.267 10.376 9.253 573 2HG MET 77 HG3 MET 77 48.255 10.634 10.679 574 1HE MET 77 HE1 MET 77 50.392 11.080 12.149 575 2HE MET 77 HE2 MET 77 51.789 9.986 12.222 576 3HE MET 77 HE3 MET 77 51.413 10.842 10.711 577 H LYS 78 H LYS 78 46.856 8.953 6.251 578 HA LYS 78 HA LYS 78 48.644 10.863 5.205 579 1HB LYS 78 HB2 LYS 78 48.093 8.620 4.216 580 2HB LYS 78 HB3 LYS 78 46.556 9.279 3.659 581 1HG LYS 78 HG2 LYS 78 48.125 9.219 1.827 582 2HG LYS 78 HG3 LYS 78 47.758 10.896 2.213 583 1HD LYS 78 HD2 LYS 78 49.925 11.022 3.498 584 2HD LYS 78 HD3 LYS 78 50.279 9.357 3.006 585 1HE LYS 78 HE2 LYS 78 50.249 10.067 0.632 586 2HE LYS 78 HE3 LYS 78 49.783 11.703 1.118 587 1HZ LYS 78 HZ1 LYS 78 52.351 10.381 1.806 588 2HZ LYS 78 HZ2 LYS 78 52.159 11.616 0.755 589 3HZ LYS 78 HZ3 LYS 78 51.901 11.855 2.357 590 H ASP 79 H ASP 79 45.152 11.177 5.567 591 HA ASP 79 HA ASP 79 44.806 13.503 3.902 592 1HB ASP 79 HB2 ASP 79 42.970 12.052 4.795 593 2HB ASP 79 HB3 ASP 79 43.286 12.697 6.409 594 H ILE 80 H ILE 80 46.051 13.091 7.193 595 HA ILE 80 HA ILE 80 46.104 15.951 7.826 596 HB ILE 80 HB ILE 80 47.666 13.717 9.178 597 1HG1 ILE 80 HG12 ILE 80 44.859 14.702 9.868 598 2HG1 ILE 80 HG13 ILE 80 45.244 13.129 9.166 599 1HG2 ILE 80 HG21 ILE 80 48.384 16.057 9.672 600 2HG2 ILE 80 HG22 ILE 80 46.731 16.436 10.199 601 3HG2 ILE 80 HG23 ILE 80 47.724 15.258 11.086 602 1HD1 ILE 80 HD11 ILE 80 46.608 12.573 11.186 603 2HD1 ILE 80 HD12 ILE 80 46.004 14.069 11.946 604 3HD1 ILE 80 HD13 ILE 80 44.873 12.790 11.487 605 H ASP 81 H ASP 81 48.456 13.473 6.827 606 HA ASP 81 HA ASP 81 50.769 15.106 6.622 607 1HB ASP 81 HB2 ASP 81 50.753 12.640 6.621 608 2HB ASP 81 HB3 ASP 81 49.967 12.646 5.047 609 H SER 82 H SER 82 48.128 14.703 4.314 610 HA SER 82 HA SER 82 49.159 15.983 2.033 611 1HB SER 82 HB2 SER 82 46.945 14.794 2.339 612 2HB SER 82 HB3 SER 82 46.332 16.273 3.099 613 HG SER 82 HG SER 82 45.863 16.156 0.849 614 H SER 83 H SER 83 48.408 17.471 5.114 615 HA SER 83 HA SER 83 48.165 20.209 4.108 616 1HB SER 83 HB2 SER 83 48.559 19.176 6.945 617 2HB SER 83 HB3 SER 83 48.153 20.834 6.484 618 HG SER 83 HG SER 83 46.571 18.501 6.109 619 H ILE 84 H ILE 84 50.887 18.325 4.145 620 HA ILE 84 HA ILE 84 52.861 19.772 5.458 621 HB ILE 84 HB ILE 84 53.150 17.557 4.451 622 1HG1 ILE 84 HG12 ILE 84 55.430 17.737 3.608 623 2HG1 ILE 84 HG13 ILE 84 55.264 19.475 3.407 624 1HG2 ILE 84 HG21 ILE 84 53.614 17.216 2.092 625 2HG2 ILE 84 HG22 ILE 84 52.022 17.961 2.259 626 3HG2 ILE 84 HG23 ILE 84 53.412 18.943 1.746 627 1HD1 ILE 84 HD11 ILE 84 55.059 19.756 5.859 628 2HD1 ILE 84 HD12 ILE 84 55.076 17.988 6.069 629 3HD1 ILE 84 HD13 ILE 84 56.513 18.834 5.460 630 H LEU 85 H LEU 85 54.245 21.432 5.036 631 HA LEU 85 HA LEU 85 53.205 23.640 3.518 632 1HB LEU 85 HB2 LEU 85 55.871 23.243 4.942 633 2HB LEU 85 HB3 LEU 85 55.262 24.787 4.362 634 HG LEU 85 HG LEU 85 53.943 23.100 6.535 635 1HD1 LEU 85 HD11 LEU 85 56.094 24.083 7.229 636 2HD1 LEU 85 HD12 LEU 85 55.537 25.690 6.707 637 3HD1 LEU 85 HD13 LEU 85 54.732 24.855 8.056 638 1HD2 LEU 85 HD21 LEU 85 52.602 25.159 6.960 639 2HD2 LEU 85 HD22 LEU 85 53.292 25.894 5.495 640 3HD2 LEU 85 HD23 LEU 85 52.256 24.451 5.381 641 H GLU 86 H GLU 86 55.336 21.128 2.525 642 HA GLU 86 HA GLU 86 56.950 22.603 0.629 643 1HB GLU 86 HB2 GLU 86 56.313 19.628 0.838 644 2HB GLU 86 HB3 GLU 86 57.530 20.344 -0.227 645 1HG GLU 86 HG2 GLU 86 58.677 21.306 1.796 646 2HG GLU 86 HG3 GLU 86 57.551 20.410 2.819 647 H HIS 87 H HIS 87 56.961 22.374 -1.675 648 HA HIS 87 HA HIS 87 54.445 22.704 -3.026 649 1HB HIS 87 HB2 HIS 87 57.215 22.088 -4.132 650 2HB HIS 87 HB3 HIS 87 55.840 22.671 -5.065 651 HD1 HIS 87 HD1 HIS 87 54.916 25.251 -4.158 652 HD2 HIS 87 HD2 HIS 87 58.822 23.953 -3.266 653 HE1 HIS 87 HE1 HIS 87 56.242 27.342 -3.552 654 H HIS 88 H HIS 88 53.681 21.392 -4.839 655 HA HIS 88 HA HIS 88 54.271 18.494 -4.822 656 1HB HIS 88 HB2 HIS 88 51.843 17.968 -4.575 657 2HB HIS 88 HB3 HIS 88 52.572 18.643 -3.128 658 HD1 HIS 88 HD1 HIS 88 51.594 20.971 -2.259 659 HD2 HIS 88 HD2 HIS 88 50.052 19.593 -5.925 660 HE1 HIS 88 HE1 HIS 88 49.602 22.467 -2.806 661 H HIS 89 H HIS 89 53.345 17.356 -6.632 662 HA HIS 89 HA HIS 89 53.393 18.889 -9.102 663 1HB HIS 89 HB2 HIS 89 54.407 16.643 -8.846 664 2HB HIS 89 HB3 HIS 89 52.810 15.948 -8.560 665 HD1 HIS 89 HD1 HIS 89 51.983 14.788 -10.741 666 HD2 HIS 89 HD2 HIS 89 54.351 18.204 -11.406 667 HE1 HIS 89 HE1 HIS 89 52.020 15.152 -13.265 668 H HIS 90 H HIS 90 51.728 18.778 -10.759 669 HA HIS 90 HA HIS 90 49.275 19.848 -10.004 670 1HB HIS 90 HB2 HIS 90 49.971 18.412 -12.595 671 2HB HIS 90 HB3 HIS 90 48.667 19.576 -12.372 672 HD1 HIS 90 HD1 HIS 90 49.666 22.165 -11.548 673 HD2 HIS 90 HD2 HIS 90 52.191 19.423 -13.509 674 HE1 HIS 90 HE1 HIS 90 51.626 23.520 -12.453 675 H HIS 91 H HIS 91 50.021 16.452 -10.223 676 HA HIS 91 HA HIS 91 47.455 15.271 -10.504 677 1HB HIS 91 HB2 HIS 91 49.588 14.063 -10.608 678 2HB HIS 91 HB3 HIS 91 49.917 14.432 -8.915 679 HD1 HIS 91 HD1 HIS 91 48.141 13.169 -7.092 680 HD2 HIS 91 HD2 HIS 91 48.280 11.847 -11.101 681 HE1 HIS 91 HE1 HIS 91 47.120 10.836 -7.119 682 H HIS 92 H HIS 92 48.971 16.789 -7.684 683 HA HIS 92 HA HIS 92 48.507 16.852 -5.472 684 1HB HIS 92 HB2 HIS 92 46.938 18.496 -6.570 685 2HB HIS 92 HB3 HIS 92 45.649 17.313 -6.371 686 HD1 HIS 92 HD1 HIS 92 45.862 16.431 -3.498 687 HD2 HIS 92 HD2 HIS 92 46.667 20.346 -4.766 688 HE1 HIS 92 HE1 HIS 92 45.552 17.937 -1.418 Start of MODEL 20 1 1H MET 1 H1 MET 1 54.446 11.467 25.085 2 2H MET 1 H2 MET 1 55.155 12.364 23.916 3 3H MET 1 H3 MET 1 53.519 12.301 24.021 4 HA MET 1 HA MET 1 53.535 9.936 23.490 5 1HB MET 1 HB2 MET 1 54.831 11.829 21.480 6 2HB MET 1 HB3 MET 1 54.446 10.152 21.099 7 1HG MET 1 HG2 MET 1 52.671 11.487 20.291 8 2HG MET 1 HG3 MET 1 52.076 10.528 21.640 9 1HE MET 1 HE1 MET 1 50.456 12.894 20.332 10 2HE MET 1 HE2 MET 1 49.873 11.945 21.720 11 3HE MET 1 HE3 MET 1 49.833 13.723 21.777 12 H SER 2 H SER 2 54.697 8.057 22.867 13 HA SER 2 HA SER 2 57.242 7.675 24.148 14 1HB SER 2 HB2 SER 2 57.063 5.399 23.114 15 2HB SER 2 HB3 SER 2 55.655 5.893 24.067 16 HG SER 2 HG SER 2 55.048 4.965 22.052 17 H ASN 3 H ASN 3 56.499 8.804 20.968 18 HA ASN 3 HA ASN 3 59.378 8.972 20.375 19 1HB ASN 3 HB2 ASN 3 59.116 8.169 18.088 20 2HB ASN 3 HB3 ASN 3 58.593 6.920 19.201 21 1HD2 ASN 3 HD22 ASN 3 57.459 9.318 16.778 22 2HD2 ASN 3 HD21 ASN 3 55.894 8.547 16.602 23 HA PRO 4 HA PRO 4 57.996 12.986 18.870 24 1HB PRO 4 HB2 PRO 4 60.036 13.769 17.248 25 2HB PRO 4 HB3 PRO 4 60.248 13.587 19.015 26 1HG PRO 4 HG2 PRO 4 60.961 11.596 16.839 27 2HG PRO 4 HG3 PRO 4 61.978 12.153 18.206 28 1HD PRO 4 HD2 PRO 4 60.519 9.830 18.266 29 2HD PRO 4 HD3 PRO 4 60.820 10.794 19.735 30 HA PRO 5 HA PRO 5 56.208 12.218 14.774 31 1HB PRO 5 HB2 PRO 5 55.660 14.746 13.886 32 2HB PRO 5 HB3 PRO 5 54.752 13.966 15.223 33 1HG PRO 5 HG2 PRO 5 57.036 15.948 15.413 34 2HG PRO 5 HG3 PRO 5 55.488 15.951 16.312 35 1HD PRO 5 HD2 PRO 5 57.814 14.953 17.366 36 2HD PRO 5 HD3 PRO 5 56.215 14.258 17.762 37 H THR 6 H THR 6 59.089 14.202 15.147 38 HA THR 6 HA THR 6 59.492 14.729 12.324 39 HB THR 6 HB THR 6 61.591 15.731 13.034 40 HG1 THR 6 HG1 THR 6 62.022 15.869 15.259 41 1HG2 THR 6 HG21 THR 6 59.470 17.035 13.086 42 2HG2 THR 6 HG22 THR 6 59.276 16.617 14.804 43 3HG2 THR 6 HG23 THR 6 60.659 17.594 14.272 44 HA PRO 7 HA PRO 7 62.073 11.453 10.889 45 1HB PRO 7 HB2 PRO 7 63.995 13.562 9.936 46 2HB PRO 7 HB3 PRO 7 63.197 12.253 9.012 47 1HG PRO 7 HG2 PRO 7 62.371 14.843 8.797 48 2HG PRO 7 HG3 PRO 7 61.206 13.478 8.802 49 1HD PRO 7 HD2 PRO 7 61.981 15.311 11.071 50 2HD PRO 7 HD3 PRO 7 60.375 14.784 10.590 51 H LEU 8 H LEU 8 63.986 10.307 11.364 52 HA LEU 8 HA LEU 8 65.489 10.827 13.719 53 1HB LEU 8 HB2 LEU 8 65.105 8.670 12.564 54 2HB LEU 8 HB3 LEU 8 66.166 9.144 11.258 55 HG LEU 8 HG LEU 8 67.068 7.502 12.906 56 1HD1 LEU 8 HD11 LEU 8 68.578 8.888 11.475 57 2HD1 LEU 8 HD12 LEU 8 68.805 9.983 12.860 58 3HD1 LEU 8 HD13 LEU 8 69.296 8.295 12.982 59 1HD2 LEU 8 HD21 LEU 8 66.132 8.505 14.969 60 2HD2 LEU 8 HD22 LEU 8 67.872 8.182 15.074 61 3HD2 LEU 8 HD23 LEU 8 67.301 9.842 14.826 62 H LEU 9 H LEU 9 66.204 11.578 10.322 63 HA LEU 9 HA LEU 9 68.232 13.592 11.092 64 1HB LEU 9 HB2 LEU 9 69.497 11.521 10.790 65 2HB LEU 9 HB3 LEU 9 68.698 11.207 9.251 66 HG LEU 9 HG LEU 9 69.802 13.176 8.247 67 1HD1 LEU 9 HD11 LEU 9 71.667 14.291 9.460 68 2HD1 LEU 9 HD12 LEU 9 70.110 14.624 10.224 69 3HD1 LEU 9 HD13 LEU 9 71.211 13.425 10.942 70 1HD2 LEU 9 HD21 LEU 9 72.065 12.262 8.183 71 2HD2 LEU 9 HD22 LEU 9 71.755 11.318 9.658 72 3HD2 LEU 9 HD23 LEU 9 70.876 10.950 8.158 73 H ALA 10 H ALA 10 67.361 15.389 10.221 74 HA ALA 10 HA ALA 10 65.547 15.503 8.052 75 1HB ALA 10 HB1 ALA 10 67.376 17.666 9.185 76 2HB ALA 10 HB2 ALA 10 65.927 17.934 8.192 77 3HB ALA 10 HB3 ALA 10 65.768 17.221 9.807 78 H ASP 11 H ASP 11 69.086 15.593 8.004 79 HA ASP 11 HA ASP 11 69.443 16.408 5.274 80 1HB ASP 11 HB2 ASP 11 71.141 16.428 7.148 81 2HB ASP 11 HB3 ASP 11 71.247 14.675 7.001 82 H TYR 12 H TYR 12 68.037 13.560 6.437 83 HA TYR 12 HA TYR 12 68.372 12.145 3.858 84 1HB TYR 12 HB2 TYR 12 70.026 11.467 5.805 85 2HB TYR 12 HB3 TYR 12 68.633 10.647 6.479 86 HD1 TYR 12 HD1 TYR 12 68.099 8.443 5.650 87 HD2 TYR 12 HD2 TYR 12 70.766 10.991 3.422 88 HE1 TYR 12 HE1 TYR 12 68.657 6.536 4.139 89 HE2 TYR 12 HE2 TYR 12 71.333 9.082 1.914 90 HH TYR 12 HH TYR 12 69.881 5.832 2.332 91 H GLU 13 H GLU 13 66.221 13.701 5.030 92 HA GLU 13 HA GLU 13 64.278 12.549 6.520 93 1HB GLU 13 HB2 GLU 13 64.365 14.866 5.797 94 2HB GLU 13 HB3 GLU 13 63.953 14.411 4.139 95 1HG GLU 13 HG2 GLU 13 61.729 13.681 4.857 96 2HG GLU 13 HG3 GLU 13 62.151 13.966 6.546 97 H TRP 14 H TRP 14 64.601 11.944 3.054 98 HA TRP 14 HA TRP 14 62.155 10.625 2.504 99 1HB TRP 14 HB2 TRP 14 63.466 9.636 0.594 100 2HB TRP 14 HB3 TRP 14 63.528 11.384 0.731 101 HD1 TRP 14 HD1 TRP 14 65.744 8.293 1.278 102 HE1 TRP 14 HE1 TRP 14 68.211 8.999 1.273 103 HE3 TRP 14 HE3 TRP 14 65.128 13.380 1.139 104 HZ2 TRP 14 HZ2 TRP 14 69.726 11.455 1.120 105 HZ3 TRP 14 HZ3 TRP 14 67.109 14.880 1.112 106 HH2 TRP 14 HH2 TRP 14 69.404 13.932 1.093 107 H SER 15 H SER 15 64.871 9.409 4.290 108 HA SER 15 HA SER 15 63.381 6.832 4.681 109 1HB SER 15 HB2 SER 15 66.390 7.175 4.738 110 2HB SER 15 HB3 SER 15 65.499 5.682 5.069 111 HG SER 15 HG SER 15 64.744 5.722 2.908 112 H GLY 16 H GLY 16 65.024 9.562 6.136 113 1HA GLY 16 HA2 GLY 16 65.348 8.813 8.802 114 2HA GLY 16 HA3 GLY 16 64.917 10.433 8.226 115 H TYR 17 H TYR 17 62.312 9.798 7.201 116 HA TYR 17 HA TYR 17 60.647 9.853 9.545 117 1HB TYR 17 HB2 TYR 17 60.196 9.611 6.571 118 2HB TYR 17 HB3 TYR 17 58.866 9.234 7.643 119 HD1 TYR 17 HD1 TYR 17 60.077 11.807 5.719 120 HD2 TYR 17 HD2 TYR 17 58.602 11.031 9.702 121 HE1 TYR 17 HE1 TYR 17 59.295 14.164 5.894 122 HE2 TYR 17 HE2 TYR 17 57.858 13.399 9.887 123 HH TYR 17 HH TYR 17 58.290 15.749 7.213 124 H LEU 18 H LEU 18 62.014 7.112 7.932 125 HA LEU 18 HA LEU 18 60.277 5.252 9.438 126 1HB LEU 18 HB2 LEU 18 59.910 3.862 7.500 127 2HB LEU 18 HB3 LEU 18 59.179 5.434 7.314 128 HG LEU 18 HG LEU 18 61.886 4.855 6.045 129 1HD1 LEU 18 HD11 LEU 18 60.363 3.051 5.339 130 2HD1 LEU 18 HD12 LEU 18 59.136 4.251 4.873 131 3HD1 LEU 18 HD13 LEU 18 60.686 4.161 4.002 132 1HD2 LEU 18 HD21 LEU 18 61.009 6.476 4.334 133 2HD2 LEU 18 HD22 LEU 18 59.563 6.713 5.329 134 3HD2 LEU 18 HD23 LEU 18 61.160 7.211 5.926 135 H THR 19 H THR 19 62.898 6.119 9.931 136 HA THR 19 HA THR 19 64.994 4.328 9.536 137 HB THR 19 HB THR 19 65.043 6.491 10.756 138 HG1 THR 19 HG1 THR 19 66.758 5.097 11.061 139 1HG2 THR 19 HG21 THR 19 63.910 4.979 13.153 140 2HG2 THR 19 HG22 THR 19 64.395 6.664 13.093 141 3HG2 THR 19 HG23 THR 19 62.969 6.137 12.179 142 H GLY 20 H GLY 20 62.122 3.780 11.410 143 1HA GLY 20 HA2 GLY 20 62.074 1.090 11.900 144 2HA GLY 20 HA3 GLY 20 63.158 1.692 13.171 145 H ILE 21 H ILE 21 62.001 4.168 13.719 146 HA ILE 21 HA ILE 21 59.771 3.814 15.391 147 HB ILE 21 HB ILE 21 60.621 6.291 13.827 148 1HG1 ILE 21 HG12 ILE 21 61.302 5.496 16.701 149 2HG1 ILE 21 HG13 ILE 21 62.393 5.283 15.337 150 1HG2 ILE 21 HG21 ILE 21 58.313 6.559 14.691 151 2HG2 ILE 21 HG22 ILE 21 58.856 6.080 16.313 152 3HG2 ILE 21 HG23 ILE 21 59.416 7.595 15.567 153 1HD1 ILE 21 HD11 ILE 21 62.349 7.753 14.926 154 2HD1 ILE 21 HD12 ILE 21 61.433 7.941 16.445 155 3HD1 ILE 21 HD13 ILE 21 63.064 7.263 16.474 156 H GLY 22 H GLY 22 59.836 4.680 11.963 157 1HA GLY 22 HA2 GLY 22 57.149 5.048 11.337 158 2HA GLY 22 HA3 GLY 22 58.385 4.371 10.266 159 H ARG 23 H ARG 23 58.805 2.004 11.893 160 HA ARG 23 HA ARG 23 56.478 0.307 11.055 161 1HB ARG 23 HB2 ARG 23 58.795 -0.127 10.195 162 2HB ARG 23 HB3 ARG 23 59.331 -0.428 11.850 163 1HG ARG 23 HG2 ARG 23 57.793 -2.374 11.997 164 2HG ARG 23 HG3 ARG 23 57.220 -2.044 10.345 165 1HD ARG 23 HD2 ARG 23 59.501 -2.406 9.480 166 2HD ARG 23 HD3 ARG 23 60.102 -2.637 11.136 167 HE ARG 23 HE ARG 23 57.960 -4.481 10.540 168 1HH1 ARG 23 HH21 ARG 23 61.381 -4.044 9.914 169 2HH1 ARG 23 HH22 ARG 23 61.664 -5.757 9.751 170 1HH2 ARG 23 HH11 ARG 23 58.391 -6.650 10.312 171 2HH2 ARG 23 HH12 ARG 23 60.008 -7.186 9.961 172 H ALA 24 H ALA 24 58.045 1.471 13.955 173 HA ALA 24 HA ALA 24 57.371 -0.543 15.779 174 1HB ALA 24 HB1 ALA 24 57.511 2.457 16.281 175 2HB ALA 24 HB2 ALA 24 57.719 1.170 17.485 176 3HB ALA 24 HB3 ALA 24 58.916 1.367 16.191 177 H PHE 25 H PHE 25 55.069 1.638 14.327 178 HA PHE 25 HA PHE 25 53.068 1.242 16.327 179 1HB PHE 25 HB2 PHE 25 52.690 1.784 13.348 180 2HB PHE 25 HB3 PHE 25 51.492 2.054 14.603 181 HD1 PHE 25 HD1 PHE 25 52.049 3.774 16.471 182 HD2 PHE 25 HD2 PHE 25 54.191 3.531 12.736 183 HE1 PHE 25 HE1 PHE 25 52.882 6.095 16.795 184 HE2 PHE 25 HE2 PHE 25 55.032 5.843 13.069 185 HZ PHE 25 HZ PHE 25 54.377 7.129 15.093 186 H ASP 26 H ASP 26 54.264 -0.906 13.877 187 HA ASP 26 HA ASP 26 51.910 -2.613 13.715 188 1HB ASP 26 HB2 ASP 26 53.732 -2.153 11.931 189 2HB ASP 26 HB3 ASP 26 54.757 -3.241 12.858 190 H ASP 27 H ASP 27 54.213 -2.219 16.133 191 HA ASP 27 HA ASP 27 54.935 -4.792 16.996 192 1HB ASP 27 HB2 ASP 27 55.884 -2.656 17.774 193 2HB ASP 27 HB3 ASP 27 54.375 -2.276 18.612 194 H GLY 28 H GLY 28 51.784 -3.282 17.266 195 1HA GLY 28 HA2 GLY 28 50.782 -5.131 19.327 196 2HA GLY 28 HA3 GLY 28 49.862 -3.904 18.455 197 H VAL 29 H VAL 29 51.370 -5.619 16.030 198 HA VAL 29 HA VAL 29 49.262 -7.745 15.957 199 HB VAL 29 HB VAL 29 50.298 -6.803 13.333 200 1HG1 VAL 29 HG11 VAL 29 47.911 -7.248 12.737 201 2HG1 VAL 29 HG12 VAL 29 48.646 -8.631 13.545 202 3HG1 VAL 29 HG13 VAL 29 47.554 -7.574 14.443 203 1HG2 VAL 29 HG21 VAL 29 49.920 -4.604 14.261 204 2HG2 VAL 29 HG22 VAL 29 48.582 -4.994 13.184 205 3HG2 VAL 29 HG23 VAL 29 48.356 -5.098 14.938 206 H LYS 30 H LYS 30 52.555 -7.342 16.225 207 HA LYS 30 HA LYS 30 53.624 -9.515 14.764 208 1HB LYS 30 HB2 LYS 30 55.447 -9.504 16.271 209 2HB LYS 30 HB3 LYS 30 54.910 -7.832 16.098 210 1HG LYS 30 HG2 LYS 30 53.582 -8.182 18.277 211 2HG LYS 30 HG3 LYS 30 54.427 -9.723 18.449 212 1HD LYS 30 HD2 LYS 30 56.601 -8.583 18.493 213 2HD LYS 30 HD3 LYS 30 55.805 -7.020 18.202 214 1HE LYS 30 HE2 LYS 30 54.496 -7.326 20.311 215 2HE LYS 30 HE3 LYS 30 55.393 -8.820 20.635 216 1HZ LYS 30 HZ1 LYS 30 56.356 -6.877 21.778 217 2HZ LYS 30 HZ2 LYS 30 57.435 -7.480 20.703 218 3HZ LYS 30 HZ3 LYS 30 56.594 -6.117 20.345 219 H ASP 31 H ASP 31 51.595 -9.559 17.586 220 HA ASP 31 HA ASP 31 51.869 -12.221 18.487 221 1HB ASP 31 HB2 ASP 31 50.691 -10.327 19.631 222 2HB ASP 31 HB3 ASP 31 49.441 -10.364 18.391 223 H LEU 32 H LEU 32 49.744 -10.936 15.939 224 HA LEU 32 HA LEU 32 48.610 -13.574 15.305 225 1HB LEU 32 HB2 LEU 32 47.699 -11.009 15.156 226 2HB LEU 32 HB3 LEU 32 48.341 -11.146 13.543 227 HG LEU 32 HG LEU 32 46.239 -12.961 14.845 228 1HD1 LEU 32 HD11 LEU 32 44.693 -11.863 13.225 229 2HD1 LEU 32 HD12 LEU 32 45.393 -10.738 14.398 230 3HD1 LEU 32 HD13 LEU 32 46.013 -10.773 12.738 231 1HD2 LEU 32 HD21 LEU 32 47.401 -12.989 12.048 232 2HD2 LEU 32 HD22 LEU 32 47.356 -14.320 13.219 233 3HD2 LEU 32 HD23 LEU 32 45.858 -13.772 12.466 234 H ASN 33 H ASN 33 51.096 -11.378 14.077 235 HA ASN 33 HA ASN 33 51.708 -12.847 11.673 236 1HB ASN 33 HB2 ASN 33 52.497 -10.515 12.141 237 2HB ASN 33 HB3 ASN 33 53.578 -11.163 13.379 238 1HD2 ASN 33 HD22 ASN 33 52.831 -11.591 9.860 239 2HD2 ASN 33 HD21 ASN 33 54.507 -11.894 9.443 240 H LYS 34 H LYS 34 52.847 -13.250 15.018 241 HA LYS 34 HA LYS 34 54.657 -15.407 14.432 242 1HB LYS 34 HB2 LYS 34 54.666 -13.965 16.516 243 2HB LYS 34 HB3 LYS 34 53.225 -14.822 17.060 244 1HG LYS 34 HG2 LYS 34 55.156 -15.753 18.161 245 2HG LYS 34 HG3 LYS 34 54.544 -16.967 17.038 246 1HD LYS 34 HD2 LYS 34 56.327 -16.315 15.399 247 2HD LYS 34 HD3 LYS 34 56.921 -15.106 16.557 248 1HE LYS 34 HE2 LYS 34 57.355 -16.950 18.191 249 2HE LYS 34 HE3 LYS 34 56.768 -18.120 16.999 250 1HZ LYS 34 HZ1 LYS 34 59.159 -16.383 16.704 251 2HZ LYS 34 HZ2 LYS 34 59.157 -18.008 16.861 252 3HZ LYS 34 HZ3 LYS 34 58.569 -17.311 15.497 253 H GLN 35 H GLN 35 51.224 -15.396 15.313 254 HA GLN 35 HA GLN 35 50.816 -18.249 15.310 255 1HB GLN 35 HB2 GLN 35 48.958 -15.926 14.654 256 2HB GLN 35 HB3 GLN 35 48.431 -17.606 14.674 257 1HG GLN 35 HG2 GLN 35 48.878 -17.856 16.974 258 2HG GLN 35 HG3 GLN 35 49.809 -16.366 17.080 259 1HE2 GLN 35 HE22 GLN 35 48.733 -14.458 17.552 260 2HE2 GLN 35 HE21 GLN 35 46.990 -14.374 17.784 261 H LEU 36 H LEU 36 50.779 -15.864 12.679 262 HA LEU 36 HA LEU 36 50.183 -17.744 10.570 263 1HB LEU 36 HB2 LEU 36 49.776 -15.307 10.553 264 2HB LEU 36 HB3 LEU 36 51.519 -15.068 10.391 265 HG LEU 36 HG LEU 36 51.510 -16.362 8.274 266 1HD1 LEU 36 HD11 LEU 36 49.554 -17.871 8.507 267 2HD1 LEU 36 HD12 LEU 36 48.487 -16.455 8.578 268 3HD1 LEU 36 HD13 LEU 36 49.371 -16.795 7.104 269 1HD2 LEU 36 HD21 LEU 36 49.360 -14.249 8.476 270 2HD2 LEU 36 HD22 LEU 36 51.102 -13.891 8.453 271 3HD2 LEU 36 HD23 LEU 36 50.326 -14.594 7.032 272 H GLN 37 H GLN 37 53.293 -16.522 11.859 273 HA GLN 37 HA GLN 37 54.946 -17.995 10.030 274 1HB GLN 37 HB2 GLN 37 55.707 -16.088 11.464 275 2HB GLN 37 HB3 GLN 37 55.487 -17.092 12.903 276 1HG GLN 37 HG2 GLN 37 57.233 -18.666 12.056 277 2HG GLN 37 HG3 GLN 37 57.455 -17.636 10.637 278 1HE2 GLN 37 HE22 GLN 37 58.588 -15.576 10.934 279 2HE2 GLN 37 HE21 GLN 37 59.418 -15.236 12.446 280 H ASP 38 H ASP 38 53.482 -18.901 13.161 281 HA ASP 38 HA ASP 38 54.598 -21.553 13.256 282 1HB ASP 38 HB2 ASP 38 53.556 -20.407 15.191 283 2HB ASP 38 HB3 ASP 38 51.978 -20.539 14.416 284 H ALA 39 H ALA 39 51.636 -20.275 11.714 285 HA ALA 39 HA ALA 39 50.783 -22.775 10.627 286 1HB ALA 39 HB1 ALA 39 49.338 -21.591 9.219 287 2HB ALA 39 HB2 ALA 39 49.560 -20.395 10.563 288 3HB ALA 39 HB3 ALA 39 50.421 -20.202 9.050 289 H GLN 40 H GLN 40 52.946 -20.298 9.336 290 HA GLN 40 HA GLN 40 53.550 -21.616 6.875 291 1HB GLN 40 HB2 GLN 40 53.900 -19.110 7.680 292 2HB GLN 40 HB3 GLN 40 55.425 -19.694 8.325 293 1HG GLN 40 HG2 GLN 40 56.149 -20.420 6.082 294 2HG GLN 40 HG3 GLN 40 54.572 -20.013 5.410 295 1HE2 GLN 40 HE22 GLN 40 54.564 -18.016 4.324 296 2HE2 GLN 40 HE21 GLN 40 55.642 -16.695 4.751 297 H ALA 41 H ALA 41 54.887 -22.080 10.113 298 HA ALA 41 HA ALA 41 57.026 -23.845 9.122 299 1HB ALA 41 HB1 ALA 41 57.354 -22.540 11.148 300 2HB ALA 41 HB2 ALA 41 56.017 -23.423 11.944 301 3HB ALA 41 HB3 ALA 41 57.497 -24.287 11.427 302 H ASN 42 H ASN 42 53.730 -24.427 10.429 303 HA ASN 42 HA ASN 42 54.022 -27.322 10.201 304 1HB ASN 42 HB2 ASN 42 52.019 -26.224 11.390 305 2HB ASN 42 HB3 ASN 42 51.472 -25.673 9.810 306 1HD2 ASN 42 HD22 ASN 42 49.502 -26.895 10.544 307 2HD2 ASN 42 HD21 ASN 42 49.490 -28.627 10.245 308 H LEU 43 H LEU 43 53.160 -24.687 7.968 309 HA LEU 43 HA LEU 43 52.971 -26.365 5.678 310 1HB LEU 43 HB2 LEU 43 52.207 -23.802 6.182 311 2HB LEU 43 HB3 LEU 43 53.782 -23.469 5.485 312 HG LEU 43 HG LEU 43 53.197 -24.861 3.541 313 1HD1 LEU 43 HD11 LEU 43 50.583 -24.808 5.102 314 2HD1 LEU 43 HD12 LEU 43 50.609 -25.123 3.327 315 3HD1 LEU 43 HD13 LEU 43 51.398 -26.248 4.393 316 1HD2 LEU 43 HD21 LEU 43 51.247 -22.598 4.042 317 2HD2 LEU 43 HD22 LEU 43 52.906 -22.429 3.389 318 3HD2 LEU 43 HD23 LEU 43 51.673 -23.326 2.463 319 H THR 44 H THR 44 55.768 -24.711 7.168 320 HA THR 44 HA THR 44 57.510 -25.334 5.020 321 HB THR 44 HB THR 44 58.149 -25.014 7.967 322 HG1 THR 44 HG1 THR 44 57.423 -23.178 6.742 323 1HG2 THR 44 HG21 THR 44 59.890 -26.329 7.147 324 2HG2 THR 44 HG22 THR 44 59.940 -25.446 5.593 325 3HG2 THR 44 HG23 THR 44 60.490 -24.655 7.118 326 H LYS 45 H LYS 45 56.548 -27.226 7.837 327 HA LYS 45 HA LYS 45 58.186 -29.553 7.401 328 1HB LYS 45 HB2 LYS 45 55.538 -29.034 8.796 329 2HB LYS 45 HB3 LYS 45 56.291 -30.639 8.755 330 1HG LYS 45 HG2 LYS 45 58.285 -29.737 9.906 331 2HG LYS 45 HG3 LYS 45 57.578 -28.121 9.881 332 1HD LYS 45 HD2 LYS 45 57.289 -29.087 12.087 333 2HD LYS 45 HD3 LYS 45 55.735 -28.822 11.309 334 1HE LYS 45 HE2 LYS 45 55.648 -30.923 12.464 335 2HE LYS 45 HE3 LYS 45 55.597 -31.243 10.732 336 1HZ LYS 45 HZ1 LYS 45 57.136 -32.735 11.904 337 2HZ LYS 45 HZ2 LYS 45 57.969 -31.825 10.839 338 3HZ LYS 45 HZ3 LYS 45 58.028 -31.479 12.436 339 H ASN 46 H ASN 46 55.053 -28.673 5.978 340 HA ASN 46 HA ASN 46 55.691 -30.378 3.737 341 1HB ASN 46 HB2 ASN 46 54.527 -31.858 5.317 342 2HB ASN 46 HB3 ASN 46 53.180 -30.740 5.288 343 1HD2 ASN 46 HD22 ASN 46 53.154 -33.586 4.524 344 2HD2 ASN 46 HD21 ASN 46 52.865 -33.688 2.794 345 HA PRO 47 HA PRO 47 54.587 -26.163 2.549 346 1HB PRO 47 HB2 PRO 47 55.478 -27.363 -0.037 347 2HB PRO 47 HB3 PRO 47 55.697 -25.685 0.614 348 1HG PRO 47 HG2 PRO 47 57.679 -27.555 0.855 349 2HG PRO 47 HG3 PRO 47 57.304 -26.410 2.183 350 1HD PRO 47 HD2 PRO 47 56.712 -29.321 2.038 351 2HD PRO 47 HD3 PRO 47 56.895 -28.259 3.431 352 H SER 48 H SER 48 53.128 -28.954 0.744 353 HA SER 48 HA SER 48 50.720 -27.317 0.777 354 1HB SER 48 HB2 SER 48 50.183 -28.151 -1.371 355 2HB SER 48 HB3 SER 48 51.826 -27.484 -1.377 356 HG SER 48 HG SER 48 51.677 -29.537 -2.490 357 H ASP 49 H ASP 49 51.487 -29.085 2.831 358 HA ASP 49 HA ASP 49 49.614 -31.326 2.860 359 1HB ASP 49 HB2 ASP 49 51.259 -31.422 4.460 360 2HB ASP 49 HB3 ASP 49 51.122 -29.800 5.014 361 HA PRO 50 HA PRO 50 46.303 -28.577 2.442 362 1HB PRO 50 HB2 PRO 50 44.154 -30.164 2.913 363 2HB PRO 50 HB3 PRO 50 45.199 -30.190 1.427 364 1HG PRO 50 HG2 PRO 50 45.264 -32.020 3.872 365 2HG PRO 50 HG3 PRO 50 45.359 -32.499 2.146 366 1HD PRO 50 HD2 PRO 50 47.581 -32.173 3.772 367 2HD PRO 50 HD3 PRO 50 47.614 -31.831 2.010 368 H THR 51 H THR 51 46.401 -30.293 5.577 369 HA THR 51 HA THR 51 44.560 -28.368 6.903 370 HB THR 51 HB THR 51 46.428 -30.532 7.735 371 HG1 THR 51 HG1 THR 51 44.523 -31.388 8.585 372 1HG2 THR 51 HG21 THR 51 45.109 -28.553 9.599 373 2HG2 THR 51 HG22 THR 51 45.729 -30.142 10.124 374 3HG2 THR 51 HG23 THR 51 46.850 -28.932 9.487 375 H ALA 52 H ALA 52 48.135 -28.795 6.597 376 HA ALA 52 HA ALA 52 48.826 -26.407 8.063 377 1HB ALA 52 HB1 ALA 52 50.153 -27.816 5.653 378 2HB ALA 52 HB2 ALA 52 50.949 -26.687 6.762 379 3HB ALA 52 HB3 ALA 52 50.413 -28.293 7.323 380 H LEU 53 H LEU 53 48.041 -26.844 4.662 381 HA LEU 53 HA LEU 53 48.440 -24.060 4.112 382 1HB LEU 53 HB2 LEU 53 48.776 -26.109 2.708 383 2HB LEU 53 HB3 LEU 53 47.044 -26.200 2.440 384 HG LEU 53 HG LEU 53 47.116 -24.511 0.863 385 1HD1 LEU 53 HD11 LEU 53 47.844 -22.646 2.223 386 2HD1 LEU 53 HD12 LEU 53 49.489 -23.330 2.314 387 3HD1 LEU 53 HD13 LEU 53 48.863 -22.735 0.760 388 1HD2 LEU 53 HD21 LEU 53 49.166 -24.793 -0.445 389 2HD2 LEU 53 HD22 LEU 53 50.066 -25.265 1.020 390 3HD2 LEU 53 HD23 LEU 53 48.763 -26.338 0.353 391 H ALA 54 H ALA 54 45.529 -26.038 4.761 392 HA ALA 54 HA ALA 54 43.594 -23.977 4.484 393 1HB ALA 54 HB1 ALA 54 42.313 -25.461 6.147 394 2HB ALA 54 HB2 ALA 54 42.954 -26.351 4.760 395 3HB ALA 54 HB3 ALA 54 43.780 -26.450 6.327 396 H ASN 55 H ASN 55 45.646 -24.956 7.212 397 HA ASN 55 HA ASN 55 44.632 -23.160 9.133 398 1HB ASN 55 HB2 ASN 55 45.926 -25.138 9.730 399 2HB ASN 55 HB3 ASN 55 47.285 -24.609 8.763 400 1HD2 ASN 55 HD22 ASN 55 48.920 -23.846 9.811 401 2HD2 ASN 55 HD21 ASN 55 48.826 -23.150 11.439 402 H TYR 56 H TYR 56 47.627 -22.977 7.198 403 HA TYR 56 HA TYR 56 48.255 -20.233 7.707 404 1HB TYR 56 HB2 TYR 56 49.790 -21.787 6.721 405 2HB TYR 56 HB3 TYR 56 48.750 -22.061 5.330 406 HD1 TYR 56 HD1 TYR 56 49.087 -20.767 3.355 407 HD2 TYR 56 HD2 TYR 56 51.025 -19.648 7.046 408 HE1 TYR 56 HE1 TYR 56 50.785 -19.475 2.080 409 HE2 TYR 56 HE2 TYR 56 52.677 -18.316 5.777 410 HH TYR 56 HH TYR 56 52.729 -18.246 2.200 411 H GLN 57 H GLN 57 46.063 -21.471 5.141 412 HA GLN 57 HA GLN 57 45.555 -18.827 4.133 413 1HB GLN 57 HB2 GLN 57 44.024 -21.432 3.936 414 2HB GLN 57 HB3 GLN 57 43.365 -19.945 3.271 415 1HG GLN 57 HG2 GLN 57 46.109 -21.033 2.519 416 2HG GLN 57 HG3 GLN 57 44.638 -21.367 1.616 417 1HE2 GLN 57 HE22 GLN 57 46.759 -20.202 0.269 418 2HE2 GLN 57 HE21 GLN 57 46.365 -18.522 -0.065 419 H MET 58 H MET 58 43.878 -20.719 6.680 420 HA MET 58 HA MET 58 41.785 -18.823 7.175 421 1HB MET 58 HB2 MET 58 41.723 -21.183 7.882 422 2HB MET 58 HB3 MET 58 43.097 -20.911 8.961 423 1HG MET 58 HG2 MET 58 41.665 -19.242 10.227 424 2HG MET 58 HG3 MET 58 40.322 -19.705 9.181 425 1HE MET 58 HE1 MET 58 42.291 -22.291 12.489 426 2HE MET 58 HE2 MET 58 43.192 -21.899 11.013 427 3HE MET 58 HE3 MET 58 42.681 -20.599 12.114 428 H ILE 59 H ILE 59 44.968 -19.283 8.809 429 HA ILE 59 HA ILE 59 44.617 -17.073 10.604 430 HB ILE 59 HB ILE 59 47.015 -18.676 9.649 431 1HG1 ILE 59 HG12 ILE 59 45.473 -18.781 12.303 432 2HG1 ILE 59 HG13 ILE 59 45.240 -19.929 10.987 433 1HG2 ILE 59 HG21 ILE 59 47.659 -16.400 10.576 434 2HG2 ILE 59 HG22 ILE 59 46.911 -16.888 12.101 435 3HG2 ILE 59 HG23 ILE 59 48.293 -17.800 11.419 436 1HD1 ILE 59 HD11 ILE 59 46.712 -20.887 12.647 437 2HD1 ILE 59 HD12 ILE 59 47.563 -20.619 11.102 438 3HD1 ILE 59 HD13 ILE 59 47.852 -19.550 12.499 439 H MET 60 H MET 60 46.045 -17.394 7.329 440 HA MET 60 HA MET 60 47.049 -14.739 7.247 441 1HB MET 60 HB2 MET 60 47.630 -16.665 5.724 442 2HB MET 60 HB3 MET 60 46.161 -16.300 4.810 443 1HG MET 60 HG2 MET 60 47.061 -14.016 4.414 444 2HG MET 60 HG3 MET 60 48.402 -14.378 5.535 445 1HE MET 60 HE1 MET 60 49.610 -17.181 4.823 446 2HE MET 60 HE2 MET 60 50.888 -16.422 3.836 447 3HE MET 60 HE3 MET 60 50.257 -15.581 5.263 448 H SER 61 H SER 61 43.910 -16.073 6.271 449 HA SER 61 HA SER 61 42.689 -13.730 5.225 450 1HB SER 61 HB2 SER 61 41.748 -16.013 5.070 451 2HB SER 61 HB3 SER 61 41.427 -16.016 6.809 452 HG SER 61 HG SER 61 39.589 -15.409 5.546 453 H GLU 62 H GLU 62 42.862 -14.925 8.621 454 HA GLU 62 HA GLU 62 41.670 -12.568 9.782 455 1HB GLU 62 HB2 GLU 62 43.518 -14.704 10.945 456 2HB GLU 62 HB3 GLU 62 42.789 -13.401 11.892 457 1HG GLU 62 HG2 GLU 62 40.525 -14.177 11.218 458 2HG GLU 62 HG3 GLU 62 41.246 -15.529 10.349 459 H TYR 63 H TYR 63 45.096 -13.455 9.359 460 HA TYR 63 HA TYR 63 46.298 -11.278 10.609 461 1HB TYR 63 HB2 TYR 63 47.601 -13.190 9.879 462 2HB TYR 63 HB3 TYR 63 47.166 -12.946 8.209 463 HD1 TYR 63 HD1 TYR 63 48.649 -12.030 6.770 464 HD2 TYR 63 HD2 TYR 63 48.901 -10.996 10.955 465 HE1 TYR 63 HE1 TYR 63 50.776 -10.854 6.339 466 HE2 TYR 63 HE2 TYR 63 51.001 -9.736 10.507 467 HH TYR 63 HH TYR 63 52.623 -9.211 8.953 468 H ASN 64 H ASN 64 45.306 -11.475 7.207 469 HA ASN 64 HA ASN 64 46.503 -8.914 6.603 470 1HB ASN 64 HB2 ASN 64 46.332 -10.770 4.958 471 2HB ASN 64 HB3 ASN 64 44.571 -10.687 5.015 472 1HD2 ASN 64 HD22 ASN 64 47.506 -8.984 3.916 473 2HD2 ASN 64 HD21 ASN 64 46.642 -7.931 2.807 474 H LEU 65 H LEU 65 43.169 -9.992 7.198 475 HA LEU 65 HA LEU 65 41.932 -7.435 6.606 476 1HB LEU 65 HB2 LEU 65 40.780 -9.611 6.360 477 2HB LEU 65 HB3 LEU 65 40.933 -9.901 8.092 478 HG LEU 65 HG LEU 65 39.432 -7.991 8.571 479 1HD1 LEU 65 HD11 LEU 65 39.856 -6.534 6.638 480 2HD1 LEU 65 HD12 LEU 65 39.197 -7.766 5.535 481 3HD1 LEU 65 HD13 LEU 65 38.143 -6.951 6.711 482 1HD2 LEU 65 HD21 LEU 65 38.516 -10.261 8.258 483 2HD2 LEU 65 HD22 LEU 65 37.372 -9.019 7.724 484 3HD2 LEU 65 HD23 LEU 65 38.306 -9.941 6.522 485 H TYR 66 H TYR 66 42.794 -9.122 9.627 486 HA TYR 66 HA TYR 66 41.711 -7.087 11.335 487 1HB TYR 66 HB2 TYR 66 42.075 -9.578 11.817 488 2HB TYR 66 HB3 TYR 66 43.754 -9.166 12.160 489 HD1 TYR 66 HD1 TYR 66 44.235 -8.705 14.453 490 HD2 TYR 66 HD2 TYR 66 40.233 -8.061 12.974 491 HE1 TYR 66 HE1 TYR 66 43.459 -8.161 16.762 492 HE2 TYR 66 HE2 TYR 66 39.474 -7.484 15.269 493 HH TYR 66 HH TYR 66 40.055 -7.285 17.468 494 H ARG 67 H ARG 67 44.790 -7.308 9.734 495 HA ARG 67 HA ARG 67 46.550 -5.865 11.291 496 1HB ARG 67 HB2 ARG 67 46.765 -6.833 8.863 497 2HB ARG 67 HB3 ARG 67 46.188 -5.277 8.323 498 1HG ARG 67 HG2 ARG 67 48.553 -5.252 8.180 499 2HG ARG 67 HG3 ARG 67 48.166 -4.221 9.561 500 1HD ARG 67 HD2 ARG 67 48.767 -5.953 11.126 501 2HD ARG 67 HD3 ARG 67 48.846 -7.185 9.869 502 HE ARG 67 HE ARG 67 50.924 -5.304 10.663 503 1HH1 ARG 67 HH21 ARG 67 49.845 -7.113 7.853 504 2HH1 ARG 67 HH22 ARG 67 51.469 -7.321 7.265 505 1HH2 ARG 67 HH11 ARG 67 52.942 -5.665 9.903 506 2HH2 ARG 67 HH12 ARG 67 53.171 -6.402 8.328 507 H ASN 68 H ASN 68 44.079 -4.441 9.180 508 HA ASN 68 HA ASN 68 44.576 -1.672 9.835 509 1HB ASN 68 HB2 ASN 68 43.472 -2.438 7.743 510 2HB ASN 68 HB3 ASN 68 42.138 -3.107 8.683 511 1HD2 ASN 68 HD22 ASN 68 40.351 -1.793 8.500 512 2HD2 ASN 68 HD21 ASN 68 40.421 -0.039 8.466 513 H ALA 69 H ALA 69 42.232 -4.023 11.120 514 HA ALA 69 HA ALA 69 40.942 -2.037 12.725 515 1HB ALA 69 HB1 ALA 69 39.794 -4.090 11.939 516 2HB ALA 69 HB2 ALA 69 40.878 -5.093 12.935 517 3HB ALA 69 HB3 ALA 69 39.732 -3.980 13.709 518 H GLN 70 H GLN 70 43.370 -4.549 13.526 519 HA GLN 70 HA GLN 70 43.508 -4.120 16.302 520 1HB GLN 70 HB2 GLN 70 44.453 -6.057 15.099 521 2HB GLN 70 HB3 GLN 70 45.659 -5.021 14.354 522 1HG GLN 70 HG2 GLN 70 46.687 -6.250 16.110 523 2HG GLN 70 HG3 GLN 70 46.655 -4.568 16.601 524 1HE2 GLN 70 HE22 GLN 70 47.169 -6.507 18.467 525 2HE2 GLN 70 HE21 GLN 70 45.771 -6.697 19.534 526 H SER 71 H SER 71 45.230 -2.424 13.681 527 HA SER 71 HA SER 71 46.999 -0.863 15.250 528 1HB SER 71 HB2 SER 71 45.649 -0.147 12.612 529 2HB SER 71 HB3 SER 71 47.040 0.688 13.323 530 HG SER 71 HG SER 71 46.899 -1.955 12.293 531 H SER 72 H SER 72 43.533 -0.441 14.814 532 HA SER 72 HA SER 72 43.592 2.151 16.307 533 1HB SER 72 HB2 SER 72 41.307 0.671 14.954 534 2HB SER 72 HB3 SER 72 41.172 2.214 15.820 535 HG SER 72 HG SER 72 41.430 2.495 13.543 536 H ALA 73 H ALA 73 42.373 -1.227 16.598 537 HA ALA 73 HA ALA 73 40.966 -0.913 19.012 538 1HB ALA 73 HB1 ALA 73 42.459 -3.371 18.020 539 2HB ALA 73 HB2 ALA 73 41.119 -3.352 19.169 540 3HB ALA 73 HB3 ALA 73 40.833 -2.879 17.482 541 H VAL 74 H VAL 74 44.456 -1.453 18.555 542 HA VAL 74 HA VAL 74 45.221 -2.029 21.203 543 HB VAL 74 HB VAL 74 46.517 -0.830 18.753 544 1HG1 VAL 74 HG11 VAL 74 47.696 0.347 20.485 545 2HG1 VAL 74 HG12 VAL 74 47.923 -1.157 21.421 546 3HG1 VAL 74 HG13 VAL 74 48.719 -0.940 19.840 547 1HG2 VAL 74 HG21 VAL 74 47.142 -3.327 20.395 548 2HG2 VAL 74 HG22 VAL 74 46.058 -3.300 18.993 549 3HG2 VAL 74 HG23 VAL 74 47.768 -2.906 18.785 550 H LYS 75 H LYS 75 44.362 1.107 19.786 551 HA LYS 75 HA LYS 75 45.355 2.731 21.977 552 1HB LYS 75 HB2 LYS 75 44.883 3.416 19.563 553 2HB LYS 75 HB3 LYS 75 43.162 3.410 19.976 554 1HG LYS 75 HG2 LYS 75 43.553 5.160 21.674 555 2HG LYS 75 HG3 LYS 75 45.298 5.108 21.346 556 1HD LYS 75 HD2 LYS 75 44.857 5.798 18.997 557 2HD LYS 75 HD3 LYS 75 43.127 5.893 19.338 558 1HE LYS 75 HE2 LYS 75 45.306 7.534 20.718 559 2HE LYS 75 HE3 LYS 75 44.314 8.101 19.373 560 1HZ LYS 75 HZ1 LYS 75 42.343 7.813 20.790 561 2HZ LYS 75 HZ2 LYS 75 43.274 7.345 22.051 562 3HZ LYS 75 HZ3 LYS 75 43.396 8.859 21.464 563 H SER 76 H SER 76 42.570 0.736 21.687 564 HA SER 76 HA SER 76 41.229 1.989 24.059 565 1HB SER 76 HB2 SER 76 39.913 1.029 21.489 566 2HB SER 76 HB3 SER 76 39.079 1.683 22.912 567 HG SER 76 HG SER 76 39.383 3.276 21.297 568 H MET 77 H MET 77 42.886 -0.596 23.601 569 HA MET 77 HA MET 77 41.279 -2.816 23.445 570 1HB MET 77 HB2 MET 77 43.100 -4.108 24.381 571 2HB MET 77 HB3 MET 77 43.681 -2.900 23.238 572 1HG MET 77 HG2 MET 77 44.444 -1.467 25.094 573 2HG MET 77 HG3 MET 77 43.753 -2.590 26.264 574 1HE MET 77 HE1 MET 77 46.022 -3.206 22.992 575 2HE MET 77 HE2 MET 77 46.722 -1.816 23.858 576 3HE MET 77 HE3 MET 77 47.598 -3.357 23.792 577 H LYS 78 H LYS 78 41.808 -1.006 26.468 578 HA LYS 78 HA LYS 78 40.515 -3.006 28.135 579 1HB LYS 78 HB2 LYS 78 42.145 -0.852 28.618 580 2HB LYS 78 HB3 LYS 78 40.600 -0.157 29.063 581 1HG LYS 78 HG2 LYS 78 41.861 -2.700 30.201 582 2HG LYS 78 HG3 LYS 78 41.887 -1.108 30.934 583 1HD LYS 78 HD2 LYS 78 40.217 -2.038 32.171 584 2HD LYS 78 HD3 LYS 78 39.272 -1.273 30.904 585 1HE LYS 78 HE2 LYS 78 38.327 -3.429 31.220 586 2HE LYS 78 HE3 LYS 78 39.226 -3.526 29.711 587 1HZ LYS 78 HZ1 LYS 78 40.082 -4.607 32.331 588 2HZ LYS 78 HZ2 LYS 78 39.690 -5.450 30.973 589 3HZ LYS 78 HZ3 LYS 78 41.063 -4.564 31.018 590 H ASP 79 H ASP 79 39.369 -0.108 26.422 591 HA ASP 79 HA ASP 79 36.677 -0.151 27.512 592 1HB ASP 79 HB2 ASP 79 37.725 1.835 26.442 593 2HB ASP 79 HB3 ASP 79 37.726 0.993 24.893 594 H ILE 80 H ILE 80 38.234 -1.609 24.644 595 HA ILE 80 HA ILE 80 35.888 -2.927 23.615 596 HB ILE 80 HB ILE 80 38.847 -3.527 23.305 597 1HG1 ILE 80 HG12 ILE 80 36.867 -2.236 21.360 598 2HG1 ILE 80 HG13 ILE 80 37.915 -1.307 22.422 599 1HG2 ILE 80 HG21 ILE 80 36.484 -4.712 21.772 600 2HG2 ILE 80 HG22 ILE 80 38.195 -4.929 21.346 601 3HG2 ILE 80 HG23 ILE 80 37.588 -5.598 22.847 602 1HD1 ILE 80 HD11 ILE 80 38.925 -1.364 20.264 603 2HD1 ILE 80 HD12 ILE 80 39.918 -2.340 21.364 604 3HD1 ILE 80 HD13 ILE 80 38.840 -3.128 20.182 605 H ASP 81 H ASP 81 38.497 -4.130 25.753 606 HA ASP 81 HA ASP 81 37.487 -6.706 26.228 607 1HB ASP 81 HB2 ASP 81 39.730 -5.989 26.844 608 2HB ASP 81 HB3 ASP 81 39.078 -4.885 28.054 609 H SER 82 H SER 82 36.577 -3.673 27.795 610 HA SER 82 HA SER 82 34.840 -4.784 29.814 611 1HB SER 82 HB2 SER 82 34.817 -2.005 28.571 612 2HB SER 82 HB3 SER 82 34.022 -2.494 30.075 613 HG SER 82 HG SER 82 36.804 -2.370 29.510 614 H SER 83 H SER 83 34.371 -4.665 26.445 615 HA SER 83 HA SER 83 31.391 -4.844 26.671 616 1HB SER 83 HB2 SER 83 33.019 -3.177 24.711 617 2HB SER 83 HB3 SER 83 31.265 -3.409 24.634 618 HG SER 83 HG SER 83 31.071 -2.411 26.665 619 H ILE 84 H ILE 84 33.762 -6.799 26.033 620 HA ILE 84 HA ILE 84 32.446 -8.086 23.676 621 HB ILE 84 HB ILE 84 34.666 -6.922 23.286 622 1HG1 ILE 84 HG12 ILE 84 34.589 -9.857 22.511 623 2HG1 ILE 84 HG13 ILE 84 33.626 -8.583 21.759 624 1HG2 ILE 84 HG21 ILE 84 36.719 -7.922 23.973 625 2HG2 ILE 84 HG22 ILE 84 35.724 -7.806 25.429 626 3HG2 ILE 84 HG23 ILE 84 35.907 -9.366 24.608 627 1HD1 ILE 84 HD11 ILE 84 36.667 -8.760 21.784 628 2HD1 ILE 84 HD12 ILE 84 35.587 -9.013 20.405 629 3HD1 ILE 84 HD13 ILE 84 35.731 -7.396 21.122 630 H LEU 85 H LEU 85 32.319 -8.422 26.733 631 HA LEU 85 HA LEU 85 33.274 -11.022 27.450 632 1HB LEU 85 HB2 LEU 85 30.916 -9.430 28.545 633 2HB LEU 85 HB3 LEU 85 31.699 -10.786 29.345 634 HG LEU 85 HG LEU 85 33.003 -8.087 28.762 635 1HD1 LEU 85 HD11 LEU 85 31.276 -8.007 30.517 636 2HD1 LEU 85 HD12 LEU 85 32.075 -9.346 31.374 637 3HD1 LEU 85 HD13 LEU 85 32.897 -7.779 31.190 638 1HD2 LEU 85 HD21 LEU 85 34.056 -10.511 30.292 639 2HD2 LEU 85 HD22 LEU 85 34.705 -9.865 28.764 640 3HD2 LEU 85 HD23 LEU 85 34.823 -8.907 30.237 641 H GLU 86 H GLU 86 31.982 -12.892 27.992 642 HA GLU 86 HA GLU 86 29.619 -13.448 26.257 643 1HB GLU 86 HB2 GLU 86 32.179 -15.106 26.365 644 2HB GLU 86 HB3 GLU 86 30.675 -15.603 25.587 645 1HG GLU 86 HG2 GLU 86 30.830 -13.628 24.059 646 2HG GLU 86 HG3 GLU 86 32.404 -13.241 24.763 647 H HIS 87 H HIS 87 28.777 -15.728 26.766 648 HA HIS 87 HA HIS 87 28.939 -16.420 29.668 649 1HB HIS 87 HB2 HIS 87 26.425 -15.916 28.018 650 2HB HIS 87 HB3 HIS 87 26.428 -16.732 29.572 651 HD1 HIS 87 HD1 HIS 87 28.781 -14.030 30.150 652 HD2 HIS 87 HD2 HIS 87 24.613 -14.426 29.727 653 HE1 HIS 87 HE1 HIS 87 27.748 -11.999 31.305 654 H HIS 88 H HIS 88 27.898 -18.530 30.119 655 HA HIS 88 HA HIS 88 27.772 -20.465 27.890 656 1HB HIS 88 HB2 HIS 88 29.289 -22.028 29.098 657 2HB HIS 88 HB3 HIS 88 30.086 -20.592 28.480 658 HD1 HIS 88 HD1 HIS 88 28.285 -20.542 31.910 659 HD2 HIS 88 HD2 HIS 88 32.116 -20.642 30.167 660 HE1 HIS 88 HE1 HIS 88 29.947 -20.154 33.810 661 H HIS 89 H HIS 89 26.686 -22.396 28.391 662 HA HIS 89 HA HIS 89 24.916 -22.301 30.805 663 1HB HIS 89 HB2 HIS 89 24.102 -22.874 27.933 664 2HB HIS 89 HB3 HIS 89 23.032 -22.791 29.333 665 HD1 HIS 89 HD1 HIS 89 23.315 -20.122 30.607 666 HD2 HIS 89 HD2 HIS 89 24.073 -20.709 26.510 667 HE1 HIS 89 HE1 HIS 89 23.142 -17.823 29.514 668 H HIS 90 H HIS 90 27.306 -24.080 29.850 669 HA HIS 90 HA HIS 90 26.359 -26.752 29.488 670 1HB HIS 90 HB2 HIS 90 28.640 -25.908 28.953 671 2HB HIS 90 HB3 HIS 90 28.967 -25.714 30.676 672 HD1 HIS 90 HD1 HIS 90 29.685 -27.940 31.976 673 HD2 HIS 90 HD2 HIS 90 28.403 -28.478 28.001 674 HE1 HIS 90 HE1 HIS 90 30.216 -30.362 31.374 675 H HIS 91 H HIS 91 26.249 -28.497 30.946 676 HA HIS 91 HA HIS 91 26.458 -28.105 33.842 677 1HB HIS 91 HB2 HIS 91 24.131 -28.949 34.238 678 2HB HIS 91 HB3 HIS 91 24.222 -27.329 33.570 679 HD1 HIS 91 HD1 HIS 91 24.250 -30.592 31.440 680 HD2 HIS 91 HD2 HIS 91 21.969 -27.159 32.289 681 HE1 HIS 91 HE1 HIS 91 22.272 -30.631 29.824 682 H HIS 92 H HIS 92 26.465 -30.062 35.027 683 HA HIS 92 HA HIS 92 26.581 -32.652 33.610 684 1HB HIS 92 HB2 HIS 92 28.827 -31.609 33.330 685 2HB HIS 92 HB3 HIS 92 28.969 -31.457 35.082 686 HD1 HIS 92 HD1 HIS 92 28.830 -34.195 32.359 687 HD2 HIS 92 HD2 HIS 92 29.826 -33.598 36.402 688 HE1 HIS 92 HE1 HIS 92 29.980 -36.338 33.132
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