NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
590995 | 2mp1 | 19960 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1HT GLY 1 5.152 9.690 -4.358 2 H2 GLY 1 2HT GLY 1 3.633 10.138 -3.799 3 H3 GLY 1 3HT GLY 1 5.042 10.968 -3.257 4 HA2 GLY 1 1HA GLY 1 4.005 10.934 -6.032 5 HA3 GLY 1 2HA GLY 1 3.892 12.284 -4.907 6 H THR 2 H THR 2 5.170 13.651 -6.158 7 HA THR 2 HA THR 2 7.912 12.760 -6.546 8 HB THR 2 HB THR 2 6.866 13.769 -8.543 9 HG1 THR 2 1HG THR 2 8.501 15.774 -8.447 10 HG21 THR 2 3HG2 THR 2 6.636 16.300 -6.893 11 HG22 THR 2 1HG2 THR 2 5.289 15.315 -7.460 12 HG23 THR 2 2HG2 THR 2 6.299 16.174 -8.619 13 H ASN 3 H ASN 3 9.510 13.438 -5.323 14 HA ASN 3 HA ASN 3 10.551 14.178 -3.500 15 HB2 ASN 3 2HB ASN 3 9.255 16.799 -4.288 16 HB3 ASN 3 1HB ASN 3 10.506 16.655 -3.060 17 HD21 ASN 3 1HD2 ASN 3 10.522 18.163 -5.506 18 HD22 ASN 3 2HD2 ASN 3 11.863 17.599 -6.436 19 H ASP 4 H ASP 4 9.519 12.918 -2.036 20 HA ASP 4 HA ASP 4 7.219 14.099 -0.713 21 HB2 ASP 4 2HB ASP 4 8.357 11.299 -0.421 22 HB3 ASP 4 1HB ASP 4 6.905 11.891 0.375 23 H ALA 5 H ALA 5 7.702 15.431 0.820 24 HA ALA 5 HA ALA 5 10.191 15.264 2.274 25 HB1 ALA 5 1HB ALA 5 9.517 17.368 3.319 26 HB2 ALA 5 2HB ALA 5 7.920 17.229 2.580 27 HB3 ALA 5 3HB ALA 5 9.344 17.454 1.568 28 H GLU 6 H GLU 6 7.355 13.853 2.587 29 HA GLU 6 HA GLU 6 7.862 13.305 5.398 30 HB2 GLU 6 2HB GLU 6 5.450 13.237 5.884 31 HB3 GLU 6 1HB GLU 6 5.970 14.828 5.372 32 HG2 GLU 6 2HG GLU 6 5.068 14.350 3.128 33 HG3 GLU 6 1HG GLU 6 4.488 12.799 3.729 34 H ASP 7 H ASP 7 6.706 11.231 6.070 35 HA ASP 7 HA ASP 7 7.412 9.338 3.965 36 HB2 ASP 7 2HB ASP 7 7.669 7.671 5.715 37 HB3 ASP 7 1HB ASP 7 8.607 9.109 6.094 38 H CYS 8 H CYS 8 4.688 10.461 5.600 39 HA CYS 8 HA CYS 8 3.304 8.036 4.837 40 HB2 CYS 8 2HB CYS 8 1.425 8.754 6.280 41 HB3 CYS 8 1HB CYS 8 2.939 8.495 7.128 42 H CYS 9 H CYS 9 0.820 8.512 4.390 43 HA CYS 9 HA CYS 9 0.980 9.866 1.826 44 HB2 CYS 9 2HB CYS 9 -0.108 7.490 2.459 45 HB3 CYS 9 1HB CYS 9 -1.508 8.524 2.752 46 H LEU 10 H LEU 10 -1.622 10.690 1.406 47 HA LEU 10 HA LEU 10 -1.704 13.015 3.173 48 HB2 LEU 10 2HB LEU 10 -1.486 13.273 0.670 49 HB3 LEU 10 1HB LEU 10 -3.069 12.575 0.499 50 HG LEU 10 HG LEU 10 -3.041 15.027 0.183 51 HD11 LEU 10 1HD1 LEU 10 -4.622 14.218 2.603 52 HD12 LEU 10 2HD1 LEU 10 -5.110 14.034 0.920 53 HD13 LEU 10 3HD1 LEU 10 -4.908 15.646 1.606 54 HD21 LEU 10 3HD2 LEU 10 -1.241 15.606 1.700 55 HD22 LEU 10 1HD2 LEU 10 -2.234 15.150 3.084 56 HD23 LEU 10 2HD2 LEU 10 -2.693 16.529 2.086 57 H SER 11 H SER 11 -4.144 10.941 1.511 58 HA SER 11 HA SER 11 -5.603 10.286 3.802 59 HB2 SER 11 2HB SER 11 -6.198 12.732 3.777 60 HB3 SER 11 1HB SER 11 -6.808 12.540 2.135 61 HG SER 11 HG SER 11 -8.590 11.808 2.925 62 H VAL 12 H VAL 12 -7.514 8.997 3.131 63 HA VAL 12 HA VAL 12 -7.014 8.057 0.408 64 HB VAL 12 HB VAL 12 -7.504 5.942 0.971 65 HG11 VAL 12 1HG1 VAL 12 -5.607 6.442 2.245 66 HG12 VAL 12 2HG1 VAL 12 -6.597 5.311 3.168 67 HG13 VAL 12 3HG1 VAL 12 -6.581 7.022 3.595 68 HG21 VAL 12 3HG2 VAL 12 -9.335 6.827 3.226 69 HG22 VAL 12 1HG2 VAL 12 -8.919 5.142 2.831 70 HG23 VAL 12 2HG2 VAL 12 -9.746 6.112 1.643 71 H THR 13 H THR 13 -8.730 7.597 -0.920 72 HA THR 13 HA THR 13 -11.090 9.216 -0.366 73 HB THR 13 HB THR 13 -10.035 9.602 -2.559 74 HG1 THR 13 1HG THR 13 -11.819 9.112 -3.928 75 HG21 THR 13 3HG2 THR 13 -9.024 7.416 -2.900 76 HG22 THR 13 1HG2 THR 13 -10.003 7.877 -4.292 77 HG23 THR 13 2HG2 THR 13 -10.626 6.709 -3.124 78 H GLN 14 H GLN 14 -13.195 8.059 -1.481 79 HA GLN 14 HA GLN 14 -14.154 6.269 0.344 80 HB2 GLN 14 2HB GLN 14 -15.539 7.462 -1.314 81 HB3 GLN 14 1HB GLN 14 -14.946 6.384 -2.565 82 HG2 GLN 14 2HG GLN 14 -15.953 4.487 -1.437 83 HG3 GLN 14 1HG GLN 14 -16.530 5.558 -0.156 84 HE21 GLN 14 1HE2 GLN 14 -18.639 5.054 -0.526 85 HE22 GLN 14 2HE2 GLN 14 -19.511 5.599 -1.914 86 H LYS 15 H LYS 15 -13.245 5.248 -2.941 87 HA LYS 15 HA LYS 15 -11.851 3.033 -1.766 88 HB2 LYS 15 2HB LYS 15 -14.156 2.205 -2.337 89 HB3 LYS 15 1HB LYS 15 -13.846 2.630 -4.016 90 HG2 LYS 15 2HG LYS 15 -12.006 1.070 -4.092 91 HG3 LYS 15 1HG LYS 15 -12.259 0.677 -2.392 92 HD2 LYS 15 2HD LYS 15 -14.539 -0.151 -2.946 93 HD3 LYS 15 1HD LYS 15 -14.232 0.197 -4.645 94 HE2 LYS 15 2HE LYS 15 -12.387 -1.409 -4.651 95 HE3 LYS 15 1HE LYS 15 -12.663 -1.742 -2.945 96 HZ1 LYS 15 3HZ LYS 15 -14.844 -2.621 -3.513 97 HZ2 LYS 15 1HZ LYS 15 -13.638 -3.421 -4.367 98 HZ3 LYS 15 2HZ LYS 15 -14.593 -2.280 -5.145 99 HA PRO 16 HA PRO 16 -9.310 5.606 -4.435 100 HB2 PRO 16 2HB PRO 16 -6.993 4.104 -3.859 101 HB3 PRO 16 1HB PRO 16 -7.579 5.555 -3.055 102 HG2 PRO 16 2HG PRO 16 -7.975 2.697 -2.215 103 HG3 PRO 16 1HG PRO 16 -7.686 4.128 -1.278 104 HD2 PRO 16 2HD PRO 16 -10.005 3.088 -1.368 105 HD3 PRO 16 1HD PRO 16 -9.745 4.832 -1.379 106 H ILE 17 H ILE 17 -7.686 2.495 -4.788 107 HA ILE 17 HA ILE 17 -8.324 2.611 -7.637 108 HB ILE 17 HB ILE 17 -6.023 2.151 -8.278 109 HG12 ILE 17 2HG1 ILE 17 -5.217 0.957 -6.246 110 HG13 ILE 17 1HG1 ILE 17 -4.102 2.206 -6.759 111 HG21 ILE 17 1HG2 ILE 17 -6.182 4.605 -6.571 112 HG22 ILE 17 2HG2 ILE 17 -6.648 4.450 -8.261 113 HG23 ILE 17 3HG2 ILE 17 -4.951 4.295 -7.795 114 HD11 ILE 17 3HD1 ILE 17 -5.995 2.298 -4.407 115 HD12 ILE 17 1HD1 ILE 17 -4.998 3.657 -4.950 116 HD13 ILE 17 2HD1 ILE 17 -4.238 2.180 -4.383 117 HA PRO 18 HA PRO 18 -8.769 -1.798 -7.376 118 HB2 PRO 18 2HB PRO 18 -6.931 -2.001 -9.716 119 HB3 PRO 18 1HB PRO 18 -8.556 -2.670 -9.511 120 HG2 PRO 18 2HG PRO 18 -8.207 -0.567 -11.052 121 HG3 PRO 18 1HG PRO 18 -9.588 -0.628 -9.941 122 HD2 PRO 18 2HD PRO 18 -6.994 0.836 -9.646 123 HD3 PRO 18 1HD PRO 18 -8.646 1.395 -9.299 124 H GLY 19 H GLY 19 -7.737 -3.135 -6.061 125 HA2 GLY 19 2HA GLY 19 -5.034 -2.621 -5.272 126 HA3 GLY 19 1HA GLY 19 -6.102 -3.859 -4.641 127 H TYR 20 H TYR 20 -6.235 -4.333 -7.765 128 HA TYR 20 HA TYR 20 -4.053 -6.211 -7.710 129 HB2 TYR 20 2HB TYR 20 -6.546 -6.078 -9.365 130 HB3 TYR 20 1HB TYR 20 -5.146 -7.008 -9.908 131 HD1 TYR 20 2HD TYR 20 -7.391 -6.598 -6.939 132 HD2 TYR 20 1HD TYR 20 -4.922 -9.181 -9.241 133 HE1 TYR 20 2HE TYR 20 -8.077 -8.487 -5.552 134 HE2 TYR 20 1HE TYR 20 -5.592 -11.078 -7.858 135 HH TYR 20 HH TYR 20 -6.444 -11.526 -5.707 136 H ILE 21 H ILE 21 -4.356 -3.065 -8.751 137 HA ILE 21 HA ILE 21 -2.432 -3.534 -10.940 138 HB ILE 21 HB ILE 21 -2.752 -1.220 -11.664 139 HG12 ILE 21 2HG1 ILE 21 -4.798 -0.965 -9.441 140 HG13 ILE 21 1HG1 ILE 21 -3.201 -0.227 -9.428 141 HG21 ILE 21 1HG2 ILE 21 -5.080 -1.348 -12.421 142 HG22 ILE 21 2HG2 ILE 21 -5.363 -2.666 -11.283 143 HG23 ILE 21 3HG2 ILE 21 -4.220 -2.876 -12.607 144 HD11 ILE 21 3HD1 ILE 21 -5.412 0.370 -11.387 145 HD12 ILE 21 1HD1 ILE 21 -3.810 1.106 -11.385 146 HD13 ILE 21 2HD1 ILE 21 -4.905 1.387 -10.036 147 H VAL 22 H VAL 22 -2.206 -3.324 -7.886 148 HA VAL 22 HA VAL 22 -0.064 -1.348 -7.750 149 HB VAL 22 HB VAL 22 -1.617 -1.109 -5.952 150 HG11 VAL 22 1HG1 VAL 22 -2.651 -3.207 -5.949 151 HG12 VAL 22 2HG1 VAL 22 -2.002 -2.924 -4.322 152 HG13 VAL 22 3HG1 VAL 22 -1.177 -4.020 -5.451 153 HG21 VAL 22 3HG2 VAL 22 0.879 -2.466 -4.979 154 HG22 VAL 22 1HG2 VAL 22 -0.180 -1.449 -4.010 155 HG23 VAL 22 2HG2 VAL 22 0.698 -0.760 -5.376 156 H ARG 23 H ARG 23 1.899 -1.685 -7.591 157 HA ARG 23 HA ARG 23 2.957 -4.320 -8.077 158 HB2 ARG 23 2HB ARG 23 3.787 -1.559 -8.452 159 HB3 ARG 23 1HB ARG 23 5.136 -2.587 -7.974 160 HG2 ARG 23 2HG ARG 23 3.285 -3.001 -10.301 161 HG3 ARG 23 1HG ARG 23 4.873 -2.235 -10.388 162 HD2 ARG 23 2HD ARG 23 5.147 -4.490 -11.073 163 HD3 ARG 23 1HD ARG 23 5.829 -4.341 -9.469 164 HE ARG 23 HE ARG 23 3.097 -5.362 -9.737 165 HH11 ARG 23 1HH1 ARG 23 6.479 -5.979 -8.878 166 HH12 ARG 23 2HH1 ARG 23 6.147 -7.494 -8.173 167 HH21 ARG 23 1HH2 ARG 23 2.668 -7.424 -8.781 168 HH22 ARG 23 2HH2 ARG 23 3.945 -8.334 -8.112 169 H ASN 24 H ASN 24 3.319 -1.773 -5.629 170 HA ASN 24 HA ASN 24 3.994 -3.773 -3.658 171 HB2 ASN 24 2HB ASN 24 6.190 -3.230 -4.621 172 HB3 ASN 24 1HB ASN 24 5.903 -1.513 -4.376 173 HD21 ASN 24 1HD2 ASN 24 6.631 -4.551 -2.861 174 HD22 ASN 24 2HD2 ASN 24 7.163 -3.904 -1.351 175 H PHE 25 H PHE 25 3.889 -2.815 -1.478 176 HA PHE 25 HA PHE 25 2.409 -0.287 -1.484 177 HB2 PHE 25 2HB PHE 25 0.851 -1.102 0.104 178 HB3 PHE 25 1HB PHE 25 0.824 -2.216 -1.229 179 HD1 PHE 25 1HD PHE 25 2.091 -4.415 -1.030 180 HD2 PHE 25 2HD PHE 25 1.367 -1.893 2.318 181 HE1 PHE 25 1HE PHE 25 2.547 -6.287 0.473 182 HE2 PHE 25 2HE PHE 25 1.826 -3.768 3.832 183 HZ PHE 25 HZ PHE 25 2.420 -5.974 2.909 184 H HIS 26 H HIS 26 2.458 0.786 0.570 185 HA HIS 26 HA HIS 26 4.651 -0.053 2.366 186 HB2 HIS 26 2HB HIS 26 3.964 2.892 1.859 187 HB3 HIS 26 1HB HIS 26 5.299 2.226 2.717 188 HD1 HIS 26 1HD HIS 26 7.264 3.125 1.469 189 HD2 HIS 26 2HD HIS 26 4.448 1.458 -1.088 190 HE1 HIS 26 1HE HIS 26 8.202 3.356 -0.829 191 HE2 HIS 26 2HE HIS 26 6.341 2.649 -2.335 192 H TYR 27 H TYR 27 3.853 -0.261 4.449 193 HA TYR 27 HA TYR 27 1.037 0.463 4.795 194 HB2 TYR 27 2HB TYR 27 2.155 -1.857 5.169 195 HB3 TYR 27 1HB TYR 27 2.702 -1.122 6.676 196 HD1 TYR 27 2HD TYR 27 -0.415 -1.189 4.735 197 HD2 TYR 27 1HD TYR 27 1.410 -1.751 8.498 198 HE1 TYR 27 2HE TYR 27 -2.589 -1.733 5.656 199 HE2 TYR 27 1HE TYR 27 -0.779 -2.328 9.486 200 HH TYR 27 HH TYR 27 -3.217 -1.944 9.013 201 H LEU 28 H LEU 28 0.930 2.540 5.454 202 HA LEU 28 HA LEU 28 2.808 3.578 7.462 203 HB2 LEU 28 2HB LEU 28 0.869 4.941 5.604 204 HB3 LEU 28 1HB LEU 28 1.646 5.799 6.898 205 HG LEU 28 HG LEU 28 2.681 6.285 4.817 206 HD11 LEU 28 1HD1 LEU 28 4.454 4.573 6.528 207 HD12 LEU 28 2HD1 LEU 28 4.109 6.297 6.708 208 HD13 LEU 28 3HD1 LEU 28 5.008 5.723 5.306 209 HD21 LEU 28 3HD2 LEU 28 3.889 4.624 3.488 210 HD22 LEU 28 1HD2 LEU 28 2.158 4.293 3.553 211 HD23 LEU 28 2HD2 LEU 28 3.273 3.350 4.542 212 H LEU 29 H LEU 29 2.209 3.598 9.531 213 HA LEU 29 HA LEU 29 -0.626 4.065 10.125 214 HB2 LEU 29 2HB LEU 29 1.242 2.185 11.554 215 HB3 LEU 29 1HB LEU 29 -0.376 2.578 12.072 216 HG LEU 29 HG LEU 29 0.390 1.096 9.576 217 HD11 LEU 29 1HD1 LEU 29 -0.731 -0.783 10.690 218 HD12 LEU 29 2HD1 LEU 29 -0.949 0.215 12.125 219 HD13 LEU 29 3HD1 LEU 29 0.677 -0.214 11.582 220 HD21 LEU 29 3HD2 LEU 29 -1.611 2.434 9.182 221 HD22 LEU 29 1HD2 LEU 29 -2.346 1.792 10.654 222 HD23 LEU 29 2HD2 LEU 29 -2.021 0.724 9.288 223 H ILE 30 H ILE 30 -0.793 4.600 12.587 224 HA ILE 30 HA ILE 30 0.793 6.932 13.051 225 HB ILE 30 HB ILE 30 -1.137 5.536 14.965 226 HG12 ILE 30 2HG1 ILE 30 -1.650 7.796 13.005 227 HG13 ILE 30 1HG1 ILE 30 -2.222 6.143 12.825 228 HG21 ILE 30 1HG2 ILE 30 0.365 7.099 16.071 229 HG22 ILE 30 2HG2 ILE 30 -1.279 7.755 16.048 230 HG23 ILE 30 3HG2 ILE 30 -0.064 8.352 14.914 231 HD11 ILE 30 3HD1 ILE 30 -3.986 7.613 13.602 232 HD12 ILE 30 1HD1 ILE 30 -3.011 8.073 14.999 233 HD13 ILE 30 2HD1 ILE 30 -3.601 6.414 14.830 234 H LYS 31 H LYS 31 0.884 3.630 13.859 235 HA LYS 31 HA LYS 31 2.598 3.474 16.066 236 HB2 LYS 31 2HB LYS 31 2.606 1.721 13.614 237 HB3 LYS 31 1HB LYS 31 3.292 1.294 15.168 238 HG2 LYS 31 2HG LYS 31 1.038 1.288 16.132 239 HG3 LYS 31 1HG LYS 31 0.376 1.711 14.545 240 HD2 LYS 31 2HD LYS 31 1.381 -0.344 13.613 241 HD3 LYS 31 1HD LYS 31 1.946 -0.770 15.224 242 HE2 LYS 31 2HE LYS 31 -0.368 -0.844 16.010 243 HE3 LYS 31 1HE LYS 31 -0.926 -0.414 14.397 244 HZ1 LYS 31 3HZ LYS 31 0.058 -2.486 13.562 245 HZ2 LYS 31 1HZ LYS 31 -1.075 -2.797 14.770 246 HZ3 LYS 31 2HZ LYS 31 0.566 -2.892 15.107 247 H ASP 32 H ASP 32 3.237 3.771 12.603 248 HA ASP 32 HA ASP 32 6.077 3.849 12.742 249 HB2 ASP 32 2HB ASP 32 4.194 4.926 10.622 250 HB3 ASP 32 1HB ASP 32 5.927 4.710 10.426 251 H GLY 33 H GLY 33 3.562 6.273 12.351 252 HA2 GLY 33 2HA GLY 33 3.875 8.120 14.045 253 HA3 GLY 33 1HA GLY 33 5.456 8.320 13.316 254 H CYS 34 H CYS 34 2.015 8.696 12.902 255 HA CYS 34 HA CYS 34 2.306 10.978 11.327 256 HB2 CYS 34 2HB CYS 34 2.779 9.318 9.564 257 HB3 CYS 34 1HB CYS 34 1.259 8.501 9.919 258 H ARG 35 H ARG 35 0.106 11.802 10.802 259 HA ARG 35 HA ARG 35 -1.695 11.044 12.938 260 HB2 ARG 35 2HB ARG 35 -1.139 13.414 12.461 261 HB3 ARG 35 1HB ARG 35 -1.916 13.257 10.897 262 HG2 ARG 35 2HG ARG 35 -4.059 12.872 11.960 263 HG3 ARG 35 1HG ARG 35 -3.296 12.928 13.551 264 HD2 ARG 35 2HD ARG 35 -3.437 15.187 11.553 265 HD3 ARG 35 1HD ARG 35 -4.352 15.057 13.058 266 HE ARG 35 HE ARG 35 -1.535 14.898 13.482 267 HH11 ARG 35 1HH1 ARG 35 -4.163 17.232 13.004 268 HH12 ARG 35 2HH1 ARG 35 -3.322 18.501 13.768 269 HH21 ARG 35 1HH2 ARG 35 -0.419 16.618 14.473 270 HH22 ARG 35 2HH2 ARG 35 -1.153 18.149 14.629 271 H VAL 36 H VAL 36 -1.395 10.645 9.517 272 HA VAL 36 HA VAL 36 -4.089 9.530 9.444 273 HB VAL 36 HB VAL 36 -3.873 11.381 7.867 274 HG11 VAL 36 1HG1 VAL 36 -2.336 11.322 5.963 275 HG12 VAL 36 2HG1 VAL 36 -1.581 9.877 6.642 276 HG13 VAL 36 3HG1 VAL 36 -1.493 11.406 7.512 277 HG21 VAL 36 3HG2 VAL 36 -4.472 10.255 5.750 278 HG22 VAL 36 1HG2 VAL 36 -5.307 9.556 7.142 279 HG23 VAL 36 2HG2 VAL 36 -3.919 8.731 6.428 280 HA PRO 37 HA PRO 37 -1.794 5.733 8.788 281 HB2 PRO 37 2HB PRO 37 -3.760 4.053 9.614 282 HB3 PRO 37 1HB PRO 37 -2.720 4.905 10.751 283 HG2 PRO 37 2HG PRO 37 -5.536 5.453 10.010 284 HG3 PRO 37 1HG PRO 37 -4.697 5.742 11.539 285 HD2 PRO 37 2HD PRO 37 -5.266 7.650 9.560 286 HD3 PRO 37 1HD PRO 37 -4.158 7.853 10.932 287 H ALA 38 H ALA 38 -1.712 4.740 6.862 288 HA ALA 38 HA ALA 38 -3.992 4.011 5.349 289 HB1 ALA 38 1HB ALA 38 -2.369 6.351 4.347 290 HB2 ALA 38 2HB ALA 38 -4.044 6.421 4.895 291 HB3 ALA 38 3HB ALA 38 -3.625 5.500 3.448 292 H VAL 39 H VAL 39 -3.413 2.678 3.677 293 HA VAL 39 HA VAL 39 -0.555 2.126 3.563 294 HB VAL 39 HB VAL 39 -1.959 0.133 4.017 295 HG11 VAL 39 1HG1 VAL 39 -4.019 0.805 2.930 296 HG12 VAL 39 2HG1 VAL 39 -3.459 -0.771 2.350 297 HG13 VAL 39 3HG1 VAL 39 -3.233 0.662 1.351 298 HG21 VAL 39 3HG2 VAL 39 -1.126 -1.335 2.234 299 HG22 VAL 39 1HG2 VAL 39 0.104 -0.196 2.786 300 HG23 VAL 39 2HG2 VAL 39 -0.740 0.087 1.264 301 H VAL 40 H VAL 40 0.592 2.689 1.795 302 HA VAL 40 HA VAL 40 -0.970 3.965 -0.248 303 HB VAL 40 HB VAL 40 0.987 5.022 -0.994 304 HG11 VAL 40 1HG1 VAL 40 1.754 6.266 0.984 305 HG12 VAL 40 2HG1 VAL 40 0.933 5.081 2.000 306 HG13 VAL 40 3HG1 VAL 40 0.004 6.080 0.885 307 HG21 VAL 40 3HG2 VAL 40 2.493 3.241 0.856 308 HG22 VAL 40 1HG2 VAL 40 3.259 4.625 0.061 309 HG23 VAL 40 2HG2 VAL 40 2.613 3.306 -0.897 310 H PHE 41 H PHE 41 -1.240 3.154 -2.113 311 HA PHE 41 HA PHE 41 0.120 0.667 -2.729 312 HB2 PHE 41 2HB PHE 41 -2.417 1.889 -3.664 313 HB3 PHE 41 1HB PHE 41 -1.716 0.581 -4.585 314 HD1 PHE 41 2HD PHE 41 -0.713 -1.113 -2.259 315 HD2 PHE 41 1HD PHE 41 -4.402 0.954 -2.827 316 HE1 PHE 41 2HE PHE 41 -1.822 -2.706 -0.800 317 HE2 PHE 41 1HE PHE 41 -5.512 -0.646 -1.354 318 HZ PHE 41 HZ PHE 41 -4.200 -2.511 -0.347 319 H THR 42 H THR 42 1.847 0.792 -3.886 320 HA THR 42 HA THR 42 2.317 2.966 -5.720 321 HB THR 42 HB THR 42 3.900 0.478 -5.012 322 HG1 THR 42 1HG THR 42 4.765 3.057 -4.343 323 HG21 THR 42 3HG2 THR 42 5.827 1.613 -6.113 324 HG22 THR 42 1HG2 THR 42 4.726 2.846 -6.728 325 HG23 THR 42 2HG2 THR 42 4.571 1.145 -7.235 326 H THR 43 H THR 43 1.159 2.852 -7.568 327 HA THR 43 HA THR 43 0.188 0.397 -8.586 328 HB THR 43 HB THR 43 -0.741 1.774 -10.408 329 HG1 THR 43 1HG THR 43 -0.432 4.082 -10.165 330 HG21 THR 43 3HG2 THR 43 -1.084 2.973 -7.653 331 HG22 THR 43 1HG2 THR 43 -1.942 1.557 -8.263 332 HG23 THR 43 2HG2 THR 43 -2.212 3.145 -8.995 333 H LEU 44 H LEU 44 0.345 0.167 -11.141 334 HA LEU 44 HA LEU 44 2.825 -0.858 -11.728 335 HB2 LEU 44 2HB LEU 44 0.635 0.034 -13.583 336 HB3 LEU 44 1HB LEU 44 1.932 -1.071 -13.974 337 HG LEU 44 HG LEU 44 -0.323 -1.546 -12.033 338 HD11 LEU 44 1HD1 LEU 44 -1.045 -1.664 -14.317 339 HD12 LEU 44 2HD1 LEU 44 -1.021 -3.274 -13.604 340 HD13 LEU 44 3HD1 LEU 44 0.269 -2.771 -14.704 341 HD21 LEU 44 3HD2 LEU 44 1.674 -2.616 -11.225 342 HD22 LEU 44 1HD2 LEU 44 1.958 -3.367 -12.799 343 HD23 LEU 44 2HD2 LEU 44 0.548 -3.822 -11.836 344 H ARG 45 H ARG 45 1.405 2.256 -12.315 345 HA ARG 45 HA ARG 45 3.398 3.234 -14.128 346 HB2 ARG 45 2HB ARG 45 1.112 4.106 -14.148 347 HB3 ARG 45 1HB ARG 45 1.301 4.681 -12.505 348 HG2 ARG 45 2HG ARG 45 1.422 6.478 -14.130 349 HG3 ARG 45 1HG ARG 45 2.939 6.314 -13.251 350 HD2 ARG 45 2HD ARG 45 3.923 5.163 -15.175 351 HD3 ARG 45 1HD ARG 45 2.383 5.266 -16.035 352 HE ARG 45 HE ARG 45 2.915 7.820 -15.364 353 HH11 ARG 45 1HH1 ARG 45 4.851 5.424 -17.134 354 HH12 ARG 45 2HH1 ARG 45 5.600 6.579 -18.126 355 HH21 ARG 45 1HH2 ARG 45 3.953 9.393 -16.763 356 HH22 ARG 45 2HH2 ARG 45 5.070 8.864 -17.918 357 H GLY 46 H GLY 46 3.338 2.778 -10.764 358 HA2 GLY 46 2HA GLY 46 5.180 3.095 -9.369 359 HA3 GLY 46 1HA GLY 46 5.822 4.295 -10.492 360 H ARG 47 H ARG 47 2.539 4.566 -9.699 361 HA ARG 47 HA ARG 47 3.136 6.931 -8.097 362 HB2 ARG 47 2HB ARG 47 0.704 6.037 -9.583 363 HB3 ARG 47 1HB ARG 47 0.696 7.420 -8.514 364 HG2 ARG 47 2HG ARG 47 2.405 8.484 -9.937 365 HG3 ARG 47 1HG ARG 47 2.374 7.077 -11.000 366 HD2 ARG 47 2HD ARG 47 0.981 8.881 -11.890 367 HD3 ARG 47 1HD ARG 47 0.029 7.459 -11.465 368 HE ARG 47 HE ARG 47 0.205 9.476 -9.417 369 HH11 ARG 47 1HH1 ARG 47 -1.629 8.270 -12.169 370 HH12 ARG 47 2HH1 ARG 47 -3.100 9.001 -11.729 371 HH21 ARG 47 1HH2 ARG 47 -1.833 10.514 -8.782 372 HH22 ARG 47 2HH2 ARG 47 -3.199 10.343 -9.773 373 H GLN 48 H GLN 48 2.678 6.944 -5.968 374 HA GLN 48 HA GLN 48 1.127 4.712 -5.061 375 HB2 GLN 48 2HB GLN 48 1.946 5.376 -2.736 376 HB3 GLN 48 1HB GLN 48 3.114 4.667 -3.825 377 HG2 GLN 48 2HG GLN 48 4.177 6.414 -2.610 378 HG3 GLN 48 1HG GLN 48 3.979 6.970 -4.257 379 HE21 GLN 48 1HE2 GLN 48 3.055 7.382 -0.959 380 HE22 GLN 48 2HE2 GLN 48 2.249 8.897 -1.162 381 H LEU 49 H LEU 49 -0.614 4.845 -3.711 382 HA LEU 49 HA LEU 49 -1.897 7.476 -3.564 383 HB2 LEU 49 2HB LEU 49 -2.464 6.042 -5.665 384 HB3 LEU 49 1HB LEU 49 -3.308 4.998 -4.563 385 HG LEU 49 HG LEU 49 -4.849 6.479 -5.767 386 HD11 LEU 49 1HD1 LEU 49 -6.129 7.416 -3.975 387 HD12 LEU 49 2HD1 LEU 49 -4.763 7.210 -2.880 388 HD13 LEU 49 3HD1 LEU 49 -5.546 5.797 -3.590 389 HD21 LEU 49 3HD2 LEU 49 -3.386 8.348 -6.183 390 HD22 LEU 49 1HD2 LEU 49 -3.379 8.754 -4.466 391 HD23 LEU 49 2HD2 LEU 49 -4.869 8.890 -5.402 392 H CYS 50 H CYS 50 -3.410 7.574 -1.815 393 HA CYS 50 HA CYS 50 -2.735 5.838 0.394 394 HB2 CYS 50 2HB CYS 50 -4.921 7.895 0.410 395 HB3 CYS 50 1HB CYS 50 -3.861 7.394 1.713 396 H ALA 51 H ALA 51 -3.941 3.958 0.894 397 HA ALA 51 HA ALA 51 -6.801 4.038 0.263 398 HB1 ALA 51 1HB ALA 51 -6.776 1.703 -0.335 399 HB2 ALA 51 2HB ALA 51 -5.041 1.567 -0.002 400 HB3 ALA 51 3HB ALA 51 -5.640 2.585 -1.327 401 HA PRO 52 HA PRO 52 -7.669 3.301 4.418 402 HB2 PRO 52 2HB PRO 52 -9.861 1.769 4.447 403 HB3 PRO 52 1HB PRO 52 -9.879 3.402 3.765 404 HG2 PRO 52 2HG PRO 52 -9.557 0.778 2.358 405 HG3 PRO 52 1HG PRO 52 -10.693 2.064 1.954 406 HD2 PRO 52 2HD PRO 52 -8.401 1.743 0.685 407 HD3 PRO 52 1HD PRO 52 -9.017 3.374 0.983 408 HA PRO 53 HA PRO 53 -5.574 -0.594 5.309 409 HB2 PRO 53 2HB PRO 53 -4.780 0.049 7.822 410 HB3 PRO 53 1HB PRO 53 -3.950 0.645 6.380 411 HG2 PRO 53 2HG PRO 53 -5.907 2.032 8.149 412 HG3 PRO 53 1HG PRO 53 -4.462 2.676 7.359 413 HD2 PRO 53 2HD PRO 53 -7.020 3.047 6.424 414 HD3 PRO 53 1HD PRO 53 -5.598 3.102 5.387 415 H ASP 54 H ASP 54 -8.342 0.743 6.737 416 HA ASP 54 HA ASP 54 -8.691 -1.439 8.645 417 HB2 ASP 54 2HB ASP 54 -9.386 0.865 9.280 418 HB3 ASP 54 1HB ASP 54 -10.595 0.825 8.005 419 H GLN 55 H GLN 55 -10.023 -0.371 5.567 420 HA GLN 55 HA GLN 55 -12.225 -2.087 5.633 421 HB2 GLN 55 2HB GLN 55 -10.969 -0.693 3.283 422 HB3 GLN 55 1HB GLN 55 -12.380 -1.731 3.135 423 HG2 GLN 55 2HG GLN 55 -13.570 -0.286 4.739 424 HG3 GLN 55 1HG GLN 55 -12.174 0.789 4.763 425 HE21 GLN 55 1HE2 GLN 55 -14.844 -0.384 2.865 426 HE22 GLN 55 2HE2 GLN 55 -14.759 0.825 1.642 427 HA PRO 56 HA PRO 56 -10.783 -6.140 4.911 428 HB2 PRO 56 2HB PRO 56 -13.248 -6.383 3.270 429 HB3 PRO 56 1HB PRO 56 -12.662 -7.403 4.586 430 HG2 PRO 56 2HG PRO 56 -14.630 -5.722 5.056 431 HG3 PRO 56 1HG PRO 56 -13.305 -5.866 6.226 432 HD2 PRO 56 2HD PRO 56 -13.788 -3.752 4.170 433 HD3 PRO 56 1HD PRO 56 -13.280 -3.612 5.871 434 H TRP 57 H TRP 57 -11.967 -4.345 2.100 435 HA TRP 57 HA TRP 57 -11.057 -6.167 0.150 436 HB2 TRP 57 2HB TRP 57 -11.417 -4.489 -1.541 437 HB3 TRP 57 1HB TRP 57 -12.678 -4.285 -0.343 438 HD1 TRP 57 HD1 TRP 57 -12.538 -1.928 1.143 439 HE1 TRP 57 1HE TRP 57 -11.416 0.301 0.609 440 HE3 TRP 57 3HE TRP 57 -9.447 -3.445 -2.654 441 HZ2 TRP 57 2HZ TRP 57 -9.441 1.304 -1.199 442 HZ3 TRP 57 3HZ TRP 57 -7.989 -1.756 -3.713 443 HH2 TRP 57 HH2 TRP 57 -8.007 0.545 -2.994 444 H VAL 58 H VAL 58 -9.422 -3.684 1.894 445 HA VAL 58 HA VAL 58 -7.098 -3.666 0.252 446 HB VAL 58 HB VAL 58 -7.681 -2.441 2.963 447 HG11 VAL 58 1HG1 VAL 58 -5.201 -2.126 1.282 448 HG12 VAL 58 2HG1 VAL 58 -5.291 -2.985 2.819 449 HG13 VAL 58 3HG1 VAL 58 -5.577 -1.245 2.760 450 HG21 VAL 58 3HG2 VAL 58 -7.277 -1.252 0.226 451 HG22 VAL 58 1HG2 VAL 58 -7.566 -0.342 1.699 452 HG23 VAL 58 2HG2 VAL 58 -8.811 -1.411 1.068 453 H GLU 59 H GLU 59 -8.053 -5.296 3.217 454 HA GLU 59 HA GLU 59 -5.414 -6.071 3.733 455 HB2 GLU 59 2HB GLU 59 -6.319 -7.545 5.525 456 HB3 GLU 59 1HB GLU 59 -6.736 -5.847 5.642 457 HG2 GLU 59 2HG GLU 59 -8.725 -6.842 6.235 458 HG3 GLU 59 1HG GLU 59 -8.936 -6.645 4.497 459 H ARG 60 H ARG 60 -7.740 -7.452 1.763 460 HA ARG 60 HA ARG 60 -6.449 -10.010 1.543 461 HB2 ARG 60 2HB ARG 60 -8.319 -8.644 -0.389 462 HB3 ARG 60 1HB ARG 60 -7.771 -10.303 -0.531 463 HG2 ARG 60 2HG ARG 60 -9.478 -9.137 1.641 464 HG3 ARG 60 1HG ARG 60 -9.971 -10.278 0.385 465 HD2 ARG 60 2HD ARG 60 -8.024 -10.777 2.638 466 HD3 ARG 60 1HD ARG 60 -9.632 -11.454 2.462 467 HE ARG 60 HE ARG 60 -8.067 -12.116 0.217 468 HH11 ARG 60 1HH1 ARG 60 -8.444 -12.918 3.645 469 HH12 ARG 60 2HH1 ARG 60 -7.782 -14.474 3.496 470 HH21 ARG 60 1HH2 ARG 60 -7.139 -14.272 0.022 471 HH22 ARG 60 2HH2 ARG 60 -7.031 -15.259 1.415 472 H ILE 61 H ILE 61 -6.427 -7.128 -0.500 473 HA ILE 61 HA ILE 61 -4.575 -8.180 -2.344 474 HB ILE 61 HB ILE 61 -4.259 -5.735 -3.044 475 HG12 ILE 61 2HG1 ILE 61 -6.442 -5.397 -0.984 476 HG13 ILE 61 1HG1 ILE 61 -4.828 -4.715 -0.912 477 HG21 ILE 61 1HG2 ILE 61 -6.516 -5.664 -4.088 478 HG22 ILE 61 2HG2 ILE 61 -7.019 -6.988 -3.044 479 HG23 ILE 61 3HG2 ILE 61 -5.743 -7.228 -4.237 480 HD11 ILE 61 3HD1 ILE 61 -6.981 -4.034 -2.886 481 HD12 ILE 61 1HD1 ILE 61 -5.347 -3.360 -2.877 482 HD13 ILE 61 2HD1 ILE 61 -6.430 -3.051 -1.532 483 H ILE 62 H ILE 62 -4.094 -6.371 0.588 484 HA ILE 62 HA ILE 62 -1.338 -5.942 0.432 485 HB ILE 62 HB ILE 62 -3.032 -6.623 2.853 486 HG12 ILE 62 2HG1 ILE 62 -1.951 -3.999 1.811 487 HG13 ILE 62 1HG1 ILE 62 -3.621 -4.530 1.782 488 HG21 ILE 62 1HG2 ILE 62 -1.208 -5.784 4.264 489 HG22 ILE 62 2HG2 ILE 62 -0.177 -5.643 2.837 490 HG23 ILE 62 3HG2 ILE 62 -0.737 -7.227 3.367 491 HD11 ILE 62 3HD1 ILE 62 -3.707 -4.486 4.218 492 HD12 ILE 62 1HD1 ILE 62 -3.237 -2.916 3.567 493 HD13 ILE 62 2HD1 ILE 62 -2.020 -3.978 4.272 494 H GLN 63 H GLN 63 -3.096 -8.806 1.538 495 HA GLN 63 HA GLN 63 -0.912 -10.383 2.320 496 HB2 GLN 63 2HB GLN 63 -3.556 -11.300 1.176 497 HB3 GLN 63 1HB GLN 63 -2.398 -12.331 1.999 498 HG2 GLN 63 2HG GLN 63 -3.871 -10.005 3.202 499 HG3 GLN 63 1HG GLN 63 -4.234 -11.713 3.442 500 HE21 GLN 63 1HE2 GLN 63 -3.513 -9.647 5.353 501 HE22 GLN 63 2HE2 GLN 63 -2.103 -10.198 6.176 502 H ARG 64 H ARG 64 -2.532 -10.049 -0.769 503 HA ARG 64 HA ARG 64 -1.151 -12.019 -2.183 504 HB2 ARG 64 2HB ARG 64 -3.156 -10.870 -3.035 505 HB3 ARG 64 1HB ARG 64 -2.208 -9.401 -3.247 506 HG2 ARG 64 2HG ARG 64 -0.724 -10.630 -4.761 507 HG3 ARG 64 1HG ARG 64 -1.800 -12.023 -4.637 508 HD2 ARG 64 2HD ARG 64 -3.634 -10.629 -5.506 509 HD3 ARG 64 1HD ARG 64 -2.496 -9.298 -5.701 510 HE ARG 64 HE ARG 64 -1.984 -11.847 -7.008 511 HH11 ARG 64 1HH1 ARG 64 -2.564 -8.362 -7.277 512 HH12 ARG 64 2HH1 ARG 64 -2.417 -8.324 -8.975 513 HH21 ARG 64 1HH2 ARG 64 -1.759 -11.772 -9.368 514 HH22 ARG 64 2HH2 ARG 64 -1.959 -10.294 -10.183 515 H LEU 65 H LEU 65 -0.408 -8.553 -1.763 516 HA LEU 65 HA LEU 65 1.948 -8.741 -3.311 517 HB2 LEU 65 2HB LEU 65 1.075 -6.646 -1.338 518 HB3 LEU 65 1HB LEU 65 2.498 -6.516 -2.349 519 HG LEU 65 HG LEU 65 -0.358 -6.648 -3.319 520 HD11 LEU 65 1HD1 LEU 65 0.156 -4.555 -2.276 521 HD12 LEU 65 2HD1 LEU 65 0.097 -4.312 -4.034 522 HD13 LEU 65 3HD1 LEU 65 1.641 -4.405 -3.206 523 HD21 LEU 65 3HD2 LEU 65 2.221 -6.307 -4.857 524 HD22 LEU 65 1HD2 LEU 65 0.599 -6.154 -5.528 525 HD23 LEU 65 2HD2 LEU 65 1.151 -7.711 -4.919 526 H GLN 66 H GLN 66 1.275 -9.087 0.118 527 HA GLN 66 HA GLN 66 3.960 -9.106 0.958 528 HB2 GLN 66 2HB GLN 66 1.573 -10.509 2.165 529 HB3 GLN 66 1HB GLN 66 3.158 -10.460 2.930 530 HG2 GLN 66 2HG GLN 66 3.017 -8.023 3.013 531 HG3 GLN 66 1HG GLN 66 1.421 -8.096 2.266 532 HE21 GLN 66 1HE2 GLN 66 0.673 -10.510 3.841 533 HE22 GLN 66 2HE2 GLN 66 0.370 -9.895 5.424 534 H ARG 67 H ARG 67 1.904 -11.753 -0.116 535 HA ARG 67 HA ARG 67 3.993 -13.651 0.269 536 HB2 ARG 67 2HB ARG 67 1.316 -13.907 -1.085 537 HB3 ARG 67 1HB ARG 67 2.460 -15.241 -0.967 538 HG2 ARG 67 2HG ARG 67 1.307 -13.741 1.385 539 HG3 ARG 67 1HG ARG 67 0.743 -15.313 0.803 540 HD2 ARG 67 2HD ARG 67 2.901 -16.300 1.251 541 HD3 ARG 67 1HD ARG 67 3.573 -14.752 1.729 542 HE ARG 67 HE ARG 67 1.498 -15.098 3.405 543 HH11 ARG 67 1HH1 ARG 67 4.258 -17.141 2.500 544 HH12 ARG 67 2HH1 ARG 67 4.467 -17.809 4.046 545 HH21 ARG 67 1HH2 ARG 67 1.823 -16.034 5.575 546 HH22 ARG 67 2HH2 ARG 67 3.094 -17.171 5.810 547 H THR 68 H THR 68 3.211 -11.623 -2.379 548 HA THR 68 HA THR 68 4.867 -13.218 -4.111 549 HB THR 68 HB THR 68 4.540 -11.362 -5.744 550 HG1 THR 68 1HG THR 68 2.390 -10.526 -4.131 551 HG21 THR 68 3HG2 THR 68 2.060 -12.700 -4.648 552 HG22 THR 68 1HG2 THR 68 3.178 -13.381 -5.830 553 HG23 THR 68 2HG2 THR 68 2.196 -11.977 -6.251 554 H SER 69 H SER 69 5.167 -10.378 -2.270 555 HA SER 69 HA SER 69 7.781 -9.710 -3.263 556 HB2 SER 69 2HB SER 69 7.866 -8.113 -1.344 557 HB3 SER 69 1HB SER 69 6.418 -7.941 -2.340 558 HG SER 69 HG SER 69 5.219 -8.724 -0.831 559 H ALA 70 H ALA 70 6.509 -11.677 -0.739 560 HA ALA 70 HA ALA 70 8.738 -12.078 0.902 561 HB1 ALA 70 1HB ALA 70 7.642 -14.113 1.648 562 HB2 ALA 70 2HB ALA 70 6.571 -14.070 0.248 563 HB3 ALA 70 3HB ALA 70 6.464 -12.812 1.477 564 H LYS 71 H LYS 71 8.166 -13.126 -2.274 565 HA LYS 71 HA LYS 71 9.785 -15.433 -2.399 566 HB2 LYS 71 2HB LYS 71 8.159 -14.659 -4.144 567 HB3 LYS 71 1HB LYS 71 9.289 -13.380 -4.558 568 HG2 LYS 71 2HG LYS 71 10.944 -15.049 -5.206 569 HG3 LYS 71 1HG LYS 71 9.810 -16.332 -4.787 570 HD2 LYS 71 2HD LYS 71 8.223 -15.394 -6.455 571 HD3 LYS 71 1HD LYS 71 9.472 -14.241 -6.925 572 HE2 LYS 71 2HE LYS 71 9.439 -16.129 -8.443 573 HE3 LYS 71 1HE LYS 71 10.948 -16.108 -7.529 574 HZ1 LYS 71 3HZ LYS 71 8.585 -17.747 -6.850 575 HZ2 LYS 71 1HZ LYS 71 10.065 -17.803 -6.080 576 HZ3 LYS 71 2HZ LYS 71 9.898 -18.354 -7.676 577 H MET 72 H MET 72 10.454 -12.031 -2.317 578 HA MET 72 HA MET 72 13.309 -12.544 -2.642 579 HB2 MET 72 2HB MET 72 12.322 -10.806 -4.114 580 HB3 MET 72 1HB MET 72 11.746 -9.956 -2.686 581 HG2 MET 72 2HG MET 72 13.718 -8.886 -3.577 582 HG3 MET 72 1HG MET 72 14.052 -9.569 -1.987 583 HE1 MET 72 3HE MET 72 17.469 -9.904 -3.855 584 HE2 MET 72 1HE MET 72 16.607 -9.205 -2.489 585 HE3 MET 72 2HE MET 72 16.294 -8.618 -4.123 586 H LYS 73 H LYS 73 13.918 -13.166 -0.664 587 HA LYS 73 HA LYS 73 12.673 -12.063 1.686 588 HB2 LYS 73 2HB LYS 73 14.056 -13.660 2.952 589 HB3 LYS 73 1HB LYS 73 13.146 -14.426 1.660 590 HG2 LYS 73 2HG LYS 73 15.200 -14.467 0.280 591 HG3 LYS 73 1HG LYS 73 16.090 -13.755 1.625 592 HD2 LYS 73 2HD LYS 73 16.447 -16.152 1.598 593 HD3 LYS 73 1HD LYS 73 15.490 -15.718 3.013 594 HE2 LYS 73 2HE LYS 73 13.435 -16.387 1.796 595 HE3 LYS 73 1HE LYS 73 14.428 -16.847 0.423 596 HZ1 LYS 73 3HZ LYS 73 14.538 -18.068 3.120 597 HZ2 LYS 73 1HZ LYS 73 15.512 -18.508 1.816 598 HZ3 LYS 73 2HZ LYS 73 13.850 -18.767 1.762 599 H ARG 74 H ARG 74 15.530 -11.549 -0.111 600 HA ARG 74 HA ARG 74 16.875 -10.122 1.996 601 HB2 ARG 74 2HB ARG 74 17.456 -10.285 -0.963 602 HB3 ARG 74 1HB ARG 74 18.492 -9.485 0.209 603 HG2 ARG 74 2HG ARG 74 18.851 -11.624 1.335 604 HG3 ARG 74 1HG ARG 74 17.808 -12.420 0.157 605 HD2 ARG 74 2HD ARG 74 20.140 -12.733 -0.425 606 HD3 ARG 74 1HD ARG 74 19.332 -11.740 -1.638 607 HE ARG 74 HE ARG 74 20.488 -10.046 0.251 608 HH11 ARG 74 1HH1 ARG 74 21.484 -12.272 -2.306 609 HH12 ARG 74 2HH1 ARG 74 22.997 -11.552 -2.567 610 HH21 ARG 74 1HH2 ARG 74 22.597 -9.009 -0.137 611 HH22 ARG 74 2HH2 ARG 74 23.638 -9.694 -1.309 612 H ARG 75 H ARG 75 16.158 -8.234 2.631 613 HA ARG 75 HA ARG 75 15.074 -6.405 0.610 614 HB2 ARG 75 2HB ARG 75 13.275 -7.245 2.029 615 HB3 ARG 75 1HB ARG 75 14.165 -6.752 3.466 616 HG2 ARG 75 2HG ARG 75 14.010 -4.423 2.762 617 HG3 ARG 75 1HG ARG 75 13.108 -4.915 1.334 618 HD2 ARG 75 2HD ARG 75 11.327 -5.784 2.741 619 HD3 ARG 75 1HD ARG 75 12.249 -5.361 4.188 620 HE ARG 75 HE ARG 75 11.973 -3.096 2.566 621 HH11 ARG 75 1HH1 ARG 75 9.982 -5.146 4.651 622 HH12 ARG 75 2HH1 ARG 75 8.913 -3.906 5.087 623 HH21 ARG 75 1HH2 ARG 75 10.539 -1.424 3.140 624 HH22 ARG 75 2HH2 ARG 75 9.224 -1.709 4.202 625 H SER 76 H SER 76 16.499 -4.850 0.302 626 HA SER 76 HA SER 76 18.089 -3.908 2.542 627 HB2 SER 76 2HB SER 76 18.270 -3.256 -0.406 628 HB3 SER 76 1HB SER 76 19.438 -2.799 0.837 629 HG SER 76 HG SER 76 19.386 -5.217 1.243 630 H SER 77 H SER 77 15.409 -3.011 0.526 631 HA SER 77 HA SER 77 15.452 -0.300 1.602 632 HB2 SER 77 2HB SER 77 13.774 -1.529 -0.598 633 HB3 SER 77 1HB SER 77 13.700 0.157 -0.089 634 HG SER 77 HG SER 77 15.938 -1.198 -1.192 Start of MODEL 2 1 H1 GLY 1 1HT GLY 1 2.588 18.139 -1.166 2 H2 GLY 1 2HT GLY 1 2.621 16.892 -0.033 3 H3 GLY 1 3HT GLY 1 1.773 18.325 0.291 4 HA2 GLY 1 1HA GLY 1 0.191 16.635 -0.286 5 HA3 GLY 1 2HA GLY 1 0.241 17.901 -1.502 6 H THR 2 H THR 2 3.054 16.454 -2.056 7 HA THR 2 HA THR 2 2.104 14.102 -3.395 8 HB THR 2 HB THR 2 3.514 16.357 -4.892 9 HG1 THR 2 1HG THR 2 0.869 15.787 -4.494 10 HG21 THR 2 3HG2 THR 2 3.166 14.951 -6.880 11 HG22 THR 2 1HG2 THR 2 2.428 13.705 -5.875 12 HG23 THR 2 2HG2 THR 2 4.137 14.100 -5.675 13 H ASN 3 H ASN 3 4.930 16.286 -3.526 14 HA ASN 3 HA ASN 3 6.537 14.059 -2.567 15 HB2 ASN 3 2HB ASN 3 8.505 15.256 -3.560 16 HB3 ASN 3 1HB ASN 3 7.301 14.821 -4.760 17 HD21 ASN 3 1HD2 ASN 3 8.938 17.390 -3.155 18 HD22 ASN 3 2HD2 ASN 3 8.324 18.686 -4.104 19 H ASP 4 H ASP 4 6.877 14.129 -0.518 20 HA ASP 4 HA ASP 4 7.278 16.733 0.754 21 HB2 ASP 4 2HB ASP 4 5.507 14.487 1.745 22 HB3 ASP 4 1HB ASP 4 5.976 15.862 2.728 23 H ALA 5 H ALA 5 8.285 16.513 2.935 24 HA ALA 5 HA ALA 5 10.522 14.677 2.678 25 HB1 ALA 5 1HB ALA 5 11.569 15.987 4.465 26 HB2 ALA 5 2HB ALA 5 10.077 16.900 4.674 27 HB3 ALA 5 3HB ALA 5 10.995 17.045 3.174 28 H GLU 6 H GLU 6 7.816 15.202 4.425 29 HA GLU 6 HA GLU 6 8.389 13.201 6.429 30 HB2 GLU 6 2HB GLU 6 5.981 13.612 7.168 31 HB3 GLU 6 1HB GLU 6 7.084 14.959 7.330 32 HG2 GLU 6 2HG GLU 6 5.289 14.697 4.943 33 HG3 GLU 6 1HG GLU 6 4.697 15.387 6.450 34 H ASP 7 H ASP 7 7.684 11.128 6.425 35 HA ASP 7 HA ASP 7 6.526 10.276 3.907 36 HB2 ASP 7 2HB ASP 7 8.674 9.200 4.449 37 HB3 ASP 7 1HB ASP 7 7.970 8.644 5.973 38 H CYS 8 H CYS 8 4.594 10.750 4.336 39 HA CYS 8 HA CYS 8 3.091 8.692 5.649 40 HB2 CYS 8 2HB CYS 8 3.429 10.416 7.456 41 HB3 CYS 8 1HB CYS 8 2.660 11.609 6.414 42 H CYS 9 H CYS 9 0.558 9.852 5.293 43 HA CYS 9 HA CYS 9 0.696 10.459 2.434 44 HB2 CYS 9 2HB CYS 9 -0.298 8.193 2.887 45 HB3 CYS 9 1HB CYS 9 -1.569 8.994 3.822 46 H LEU 10 H LEU 10 -1.499 11.395 1.762 47 HA LEU 10 HA LEU 10 -2.061 13.650 3.471 48 HB2 LEU 10 2HB LEU 10 -2.822 13.130 0.583 49 HB3 LEU 10 1HB LEU 10 -3.225 14.573 1.481 50 HG LEU 10 HG LEU 10 -1.451 15.146 0.058 51 HD11 LEU 10 1HD1 LEU 10 -0.348 14.752 2.810 52 HD12 LEU 10 2HD1 LEU 10 -1.262 16.133 2.209 53 HD13 LEU 10 3HD1 LEU 10 0.354 15.795 1.582 54 HD21 LEU 10 3HD2 LEU 10 -0.593 12.930 -0.512 55 HD22 LEU 10 1HD2 LEU 10 0.102 12.766 1.099 56 HD23 LEU 10 2HD2 LEU 10 0.727 13.987 -0.010 57 H SER 11 H SER 11 -3.821 11.084 1.487 58 HA SER 11 HA SER 11 -5.508 10.422 3.539 59 HB2 SER 11 2HB SER 11 -7.645 11.409 2.702 60 HB3 SER 11 1HB SER 11 -6.538 12.635 3.316 61 HG SER 11 HG SER 11 -6.792 13.523 1.499 62 H VAL 12 H VAL 12 -7.216 8.980 2.712 63 HA VAL 12 HA VAL 12 -6.497 7.974 0.068 64 HB VAL 12 HB VAL 12 -7.107 5.847 0.692 65 HG11 VAL 12 1HG1 VAL 12 -5.159 6.346 1.912 66 HG12 VAL 12 2HG1 VAL 12 -6.166 5.267 2.874 67 HG13 VAL 12 3HG1 VAL 12 -6.093 6.986 3.262 68 HG21 VAL 12 3HG2 VAL 12 -8.821 6.898 2.969 69 HG22 VAL 12 1HG2 VAL 12 -8.507 5.185 2.611 70 HG23 VAL 12 2HG2 VAL 12 -9.327 6.170 1.425 71 H THR 13 H THR 13 -8.483 7.246 -1.138 72 HA THR 13 HA THR 13 -10.700 8.980 -0.395 73 HB THR 13 HB THR 13 -9.887 9.471 -2.651 74 HG1 THR 13 1HG THR 13 -11.894 9.842 -2.930 75 HG21 THR 13 3HG2 THR 13 -8.871 7.335 -3.200 76 HG22 THR 13 1HG2 THR 13 -10.002 7.812 -4.468 77 HG23 THR 13 2HG2 THR 13 -10.461 6.582 -3.291 78 H GLN 14 H GLN 14 -12.889 7.851 -1.334 79 HA GLN 14 HA GLN 14 -13.490 5.893 0.530 80 HB2 GLN 14 2HB GLN 14 -14.887 6.407 -2.097 81 HB3 GLN 14 1HB GLN 14 -15.567 5.497 -0.750 82 HG2 GLN 14 2HG GLN 14 -15.441 7.480 0.670 83 HG3 GLN 14 1HG GLN 14 -14.749 8.395 -0.665 84 HE21 GLN 14 1HE2 GLN 14 -17.168 8.903 0.839 85 HE22 GLN 14 2HE2 GLN 14 -18.450 8.900 -0.315 86 H LYS 15 H LYS 15 -12.845 5.330 -2.950 87 HA LYS 15 HA LYS 15 -11.369 3.106 -2.028 88 HB2 LYS 15 2HB LYS 15 -13.467 1.998 -2.626 89 HB3 LYS 15 1HB LYS 15 -13.388 2.685 -4.249 90 HG2 LYS 15 2HG LYS 15 -11.332 1.499 -4.711 91 HG3 LYS 15 1HG LYS 15 -11.301 0.892 -3.063 92 HD2 LYS 15 2HD LYS 15 -13.471 0.257 -5.075 93 HD3 LYS 15 1HD LYS 15 -12.083 -0.784 -4.761 94 HE2 LYS 15 2HE LYS 15 -12.795 -0.951 -2.396 95 HE3 LYS 15 1HE LYS 15 -14.211 0.025 -2.780 96 HZ1 LYS 15 3HZ LYS 15 -14.725 -2.324 -2.774 97 HZ2 LYS 15 1HZ LYS 15 -13.570 -2.619 -3.966 98 HZ3 LYS 15 2HZ LYS 15 -14.934 -1.684 -4.320 99 HA PRO 16 HA PRO 16 -8.697 5.620 -4.585 100 HB2 PRO 16 2HB PRO 16 -6.548 3.822 -4.060 101 HB3 PRO 16 1HB PRO 16 -6.901 5.360 -3.292 102 HG2 PRO 16 2HG PRO 16 -7.530 2.620 -2.288 103 HG3 PRO 16 1HG PRO 16 -7.231 4.123 -1.454 104 HD2 PRO 16 2HD PRO 16 -9.601 3.017 -1.673 105 HD3 PRO 16 1HD PRO 16 -9.324 4.753 -1.520 106 H ILE 17 H ILE 17 -7.894 2.103 -4.947 107 HA ILE 17 HA ILE 17 -8.545 2.261 -7.764 108 HB ILE 17 HB ILE 17 -6.392 1.436 -8.542 109 HG12 ILE 17 2HG1 ILE 17 -5.462 0.389 -6.515 110 HG13 ILE 17 1HG1 ILE 17 -4.302 1.482 -7.246 111 HG21 ILE 17 1HG2 ILE 17 -6.179 4.115 -7.274 112 HG22 ILE 17 2HG2 ILE 17 -6.707 3.704 -8.898 113 HG23 ILE 17 3HG2 ILE 17 -5.019 3.468 -8.446 114 HD11 ILE 17 3HD1 ILE 17 -5.957 1.989 -4.777 115 HD12 ILE 17 1HD1 ILE 17 -4.830 3.142 -5.498 116 HD13 ILE 17 2HD1 ILE 17 -4.233 1.620 -4.839 117 HA PRO 18 HA PRO 18 -9.163 -2.180 -7.226 118 HB2 PRO 18 2HB PRO 18 -7.495 -2.594 -9.663 119 HB3 PRO 18 1HB PRO 18 -9.139 -3.154 -9.334 120 HG2 PRO 18 2HG PRO 18 -8.708 -1.163 -11.030 121 HG3 PRO 18 1HG PRO 18 -10.090 -1.121 -9.914 122 HD2 PRO 18 2HD PRO 18 -7.482 0.311 -9.772 123 HD3 PRO 18 1HD PRO 18 -9.108 0.900 -9.373 124 H GLY 19 H GLY 19 -7.999 -3.504 -5.956 125 HA2 GLY 19 2HA GLY 19 -5.335 -2.723 -5.294 126 HA3 GLY 19 1HA GLY 19 -6.264 -3.992 -4.539 127 H TYR 20 H TYR 20 -6.250 -4.695 -7.740 128 HA TYR 20 HA TYR 20 -3.908 -6.315 -7.354 129 HB2 TYR 20 2HB TYR 20 -6.232 -6.643 -9.224 130 HB3 TYR 20 1HB TYR 20 -4.776 -7.643 -9.281 131 HD1 TYR 20 1HD TYR 20 -4.279 -9.204 -7.468 132 HD2 TYR 20 2HD TYR 20 -7.848 -6.893 -7.447 133 HE1 TYR 20 1HE TYR 20 -5.208 -10.665 -5.720 134 HE2 TYR 20 2HE TYR 20 -8.782 -8.342 -5.697 135 HH TYR 20 HH TYR 20 -8.464 -10.640 -4.855 136 H ILE 21 H ILE 21 -4.504 -3.376 -8.700 137 HA ILE 21 HA ILE 21 -2.590 -3.819 -10.887 138 HB ILE 21 HB ILE 21 -3.051 -1.549 -11.680 139 HG12 ILE 21 2HG1 ILE 21 -4.995 -1.273 -9.373 140 HG13 ILE 21 1HG1 ILE 21 -3.425 -0.485 -9.459 141 HG21 ILE 21 1HG2 ILE 21 -5.410 -1.771 -12.314 142 HG22 ILE 21 2HG2 ILE 21 -5.591 -3.047 -11.115 143 HG23 ILE 21 3HG2 ILE 21 -4.513 -3.283 -12.490 144 HD11 ILE 21 3HD1 ILE 21 -5.752 -0.033 -11.323 145 HD12 ILE 21 1HD1 ILE 21 -4.168 0.729 -11.456 146 HD13 ILE 21 2HD1 ILE 21 -5.179 1.064 -10.062 147 H VAL 22 H VAL 22 -2.346 -3.455 -7.811 148 HA VAL 22 HA VAL 22 -0.233 -1.458 -7.808 149 HB VAL 22 HB VAL 22 -1.764 -1.187 -5.988 150 HG11 VAL 22 1HG1 VAL 22 -2.751 -3.295 -5.867 151 HG12 VAL 22 2HG1 VAL 22 -2.079 -2.919 -4.289 152 HG13 VAL 22 3HG1 VAL 22 -1.250 -4.071 -5.374 153 HG21 VAL 22 3HG2 VAL 22 0.783 -2.431 -5.006 154 HG22 VAL 22 1HG2 VAL 22 -0.299 -1.414 -4.059 155 HG23 VAL 22 2HG2 VAL 22 0.542 -0.744 -5.455 156 H ARG 23 H ARG 23 1.781 -1.757 -7.394 157 HA ARG 23 HA ARG 23 2.828 -4.362 -8.176 158 HB2 ARG 23 2HB ARG 23 3.365 -1.897 -9.147 159 HB3 ARG 23 1HB ARG 23 4.352 -1.835 -7.743 160 HG2 ARG 23 2HG ARG 23 4.706 -3.988 -9.793 161 HG3 ARG 23 1HG ARG 23 5.539 -2.446 -9.858 162 HD2 ARG 23 2HD ARG 23 6.505 -2.946 -7.628 163 HD3 ARG 23 1HD ARG 23 5.708 -4.513 -7.682 164 HE ARG 23 HE ARG 23 6.970 -4.877 -9.775 165 HH11 ARG 23 1HH1 ARG 23 8.243 -2.702 -7.304 166 HH12 ARG 23 2HH1 ARG 23 9.880 -3.017 -7.601 167 HH21 ARG 23 1HH2 ARG 23 9.237 -5.267 -10.279 168 HH22 ARG 23 2HH2 ARG 23 10.452 -4.497 -9.361 169 H ASN 24 H ASN 24 3.576 -1.794 -5.798 170 HA ASN 24 HA ASN 24 4.181 -3.776 -3.733 171 HB2 ASN 24 2HB ASN 24 6.053 -1.492 -4.483 172 HB3 ASN 24 1HB ASN 24 6.160 -2.389 -2.983 173 HD21 ASN 24 1HD2 ASN 24 8.152 -2.041 -4.969 174 HD22 ASN 24 2HD2 ASN 24 8.596 -3.596 -5.548 175 H PHE 25 H PHE 25 4.533 -2.428 -1.549 176 HA PHE 25 HA PHE 25 2.935 -0.006 -1.583 177 HB2 PHE 25 2HB PHE 25 1.372 -0.813 0.083 178 HB3 PHE 25 1HB PHE 25 1.255 -1.850 -1.324 179 HD1 PHE 25 1HD PHE 25 2.690 -4.042 -1.208 180 HD2 PHE 25 2HD PHE 25 1.609 -1.720 2.178 181 HE1 PHE 25 1HE PHE 25 3.078 -5.972 0.228 182 HE2 PHE 25 2HE PHE 25 1.999 -3.659 3.634 183 HZ PHE 25 HZ PHE 25 2.726 -5.774 2.676 184 H HIS 26 H HIS 26 2.940 1.012 0.529 185 HA HIS 26 HA HIS 26 4.929 -0.000 2.422 186 HB2 HIS 26 2HB HIS 26 4.506 2.951 1.755 187 HB3 HIS 26 1HB HIS 26 5.469 2.356 3.085 188 HD1 HIS 26 1HD HIS 26 6.440 4.133 0.603 189 HD2 HIS 26 2HD HIS 26 7.127 0.083 1.199 190 HE1 HIS 26 1HE HIS 26 8.485 3.598 -0.720 191 HE2 HIS 26 2HE HIS 26 8.930 1.165 -0.292 192 H TYR 27 H TYR 27 3.946 -0.519 4.227 193 HA TYR 27 HA TYR 27 1.210 0.366 4.682 194 HB2 TYR 27 2HB TYR 27 2.065 -2.029 4.838 195 HB3 TYR 27 1HB TYR 27 2.866 -1.517 6.325 196 HD1 TYR 27 2HD TYR 27 -0.370 -1.398 4.660 197 HD2 TYR 27 1HD TYR 27 1.686 -1.709 8.318 198 HE1 TYR 27 2HE TYR 27 -2.490 -1.709 5.763 199 HE2 TYR 27 1HE TYR 27 -0.453 -2.042 9.505 200 HH TYR 27 HH TYR 27 -3.306 -2.698 7.800 201 H LEU 28 H LEU 28 0.808 2.120 5.944 202 HA LEU 28 HA LEU 28 2.677 2.697 8.044 203 HB2 LEU 28 2HB LEU 28 3.092 4.069 6.068 204 HB3 LEU 28 1HB LEU 28 1.417 4.549 6.040 205 HG LEU 28 HG LEU 28 3.140 5.103 8.358 206 HD11 LEU 28 1HD1 LEU 28 4.253 6.000 6.358 207 HD12 LEU 28 2HD1 LEU 28 3.573 7.348 7.284 208 HD13 LEU 28 3HD1 LEU 28 2.735 6.747 5.847 209 HD21 LEU 28 3HD2 LEU 28 0.724 6.540 7.242 210 HD22 LEU 28 1HD2 LEU 28 1.633 7.061 8.662 211 HD23 LEU 28 2HD2 LEU 28 0.769 5.523 8.684 212 H LEU 29 H LEU 29 1.718 3.085 9.881 213 HA LEU 29 HA LEU 29 -1.141 3.813 9.962 214 HB2 LEU 29 2HB LEU 29 0.245 1.964 11.905 215 HB3 LEU 29 1HB LEU 29 -1.425 2.474 11.976 216 HG LEU 29 HG LEU 29 -0.190 0.761 9.878 217 HD11 LEU 29 1HD1 LEU 29 -1.653 -1.013 10.845 218 HD12 LEU 29 2HD1 LEU 29 -2.167 0.132 12.073 219 HD13 LEU 29 3HD1 LEU 29 -0.495 -0.419 12.038 220 HD21 LEU 29 3HD2 LEU 29 -1.978 2.090 8.929 221 HD22 LEU 29 1HD2 LEU 29 -3.060 1.620 10.241 222 HD23 LEU 29 2HD2 LEU 29 -2.507 0.414 9.079 223 H ILE 30 H ILE 30 -1.442 4.356 12.622 224 HA ILE 30 HA ILE 30 0.092 6.724 12.900 225 HB ILE 30 HB ILE 30 -1.630 5.388 15.030 226 HG12 ILE 30 2HG1 ILE 30 -2.328 7.592 13.058 227 HG13 ILE 30 1HG1 ILE 30 -2.902 5.930 12.961 228 HG21 ILE 30 1HG2 ILE 30 -0.030 6.997 15.928 229 HG22 ILE 30 2HG2 ILE 30 -1.662 7.672 16.053 230 HG23 ILE 30 3HG2 ILE 30 -0.556 8.203 14.776 231 HD11 ILE 30 3HD1 ILE 30 -4.603 7.410 13.861 232 HD12 ILE 30 1HD1 ILE 30 -3.510 7.897 15.159 233 HD13 ILE 30 2HD1 ILE 30 -4.094 6.237 15.077 234 H LYS 31 H LYS 31 0.374 3.478 14.096 235 HA LYS 31 HA LYS 31 2.359 4.089 15.971 236 HB2 LYS 31 2HB LYS 31 2.954 1.679 15.996 237 HB3 LYS 31 1HB LYS 31 1.280 2.050 16.342 238 HG2 LYS 31 2HG LYS 31 1.427 0.117 14.993 239 HG3 LYS 31 1HG LYS 31 0.716 1.427 14.052 240 HD2 LYS 31 2HD LYS 31 2.841 1.825 12.969 241 HD3 LYS 31 1HD LYS 31 3.593 0.554 13.945 242 HE2 LYS 31 2HE LYS 31 2.057 -0.882 13.254 243 HE3 LYS 31 1HE LYS 31 1.287 0.259 12.144 244 HZ1 LYS 31 3HZ LYS 31 3.382 0.483 10.923 245 HZ2 LYS 31 1HZ LYS 31 2.858 -1.127 10.862 246 HZ3 LYS 31 2HZ LYS 31 4.125 -0.694 11.893 247 H ASP 32 H ASP 32 2.600 3.957 12.581 248 HA ASP 32 HA ASP 32 5.485 3.776 12.600 249 HB2 ASP 32 2HB ASP 32 3.556 4.626 10.420 250 HB3 ASP 32 1HB ASP 32 5.295 4.483 10.192 251 H GLY 33 H GLY 33 3.263 6.079 13.420 252 HA2 GLY 33 2HA GLY 33 3.752 8.057 14.427 253 HA3 GLY 33 1HA GLY 33 5.323 8.110 13.684 254 H CYS 34 H CYS 34 1.896 8.518 13.165 255 HA CYS 34 HA CYS 34 2.074 10.996 11.963 256 HB2 CYS 34 2HB CYS 34 2.900 9.712 9.971 257 HB3 CYS 34 1HB CYS 34 1.426 8.749 10.025 258 H ARG 35 H ARG 35 -0.062 11.845 11.723 259 HA ARG 35 HA ARG 35 -1.924 10.486 13.396 260 HB2 ARG 35 2HB ARG 35 -2.230 13.025 11.809 261 HB3 ARG 35 1HB ARG 35 -3.450 12.399 12.899 262 HG2 ARG 35 2HG ARG 35 -1.842 12.588 14.757 263 HG3 ARG 35 1HG ARG 35 -0.670 13.297 13.650 264 HD2 ARG 35 2HD ARG 35 -1.853 15.039 14.891 265 HD3 ARG 35 1HD ARG 35 -2.242 15.117 13.171 266 HE ARG 35 HE ARG 35 -4.056 13.531 14.709 267 HH11 ARG 35 1HH1 ARG 35 -3.371 16.824 13.596 268 HH12 ARG 35 2HH1 ARG 35 -4.976 17.359 13.718 269 HH21 ARG 35 1HH2 ARG 35 -6.234 14.245 14.899 270 HH22 ARG 35 2HH2 ARG 35 -6.682 15.834 14.490 271 H VAL 36 H VAL 36 -1.578 10.773 9.946 272 HA VAL 36 HA VAL 36 -4.168 9.481 9.660 273 HB VAL 36 HB VAL 36 -4.065 11.476 8.291 274 HG11 VAL 36 1HG1 VAL 36 -2.428 11.818 6.513 275 HG12 VAL 36 2HG1 VAL 36 -1.584 10.357 7.018 276 HG13 VAL 36 3HG1 VAL 36 -1.668 11.743 8.103 277 HG21 VAL 36 3HG2 VAL 36 -4.449 10.586 6.025 278 HG22 VAL 36 1HG2 VAL 36 -5.255 9.613 7.260 279 HG23 VAL 36 2HG2 VAL 36 -3.754 9.047 6.526 280 HA PRO 37 HA PRO 37 -1.723 5.835 8.819 281 HB2 PRO 37 2HB PRO 37 -3.585 4.042 9.550 282 HB3 PRO 37 1HB PRO 37 -2.670 4.958 10.749 283 HG2 PRO 37 2HG PRO 37 -5.469 5.319 9.831 284 HG3 PRO 37 1HG PRO 37 -4.768 5.595 11.434 285 HD2 PRO 37 2HD PRO 37 -5.315 7.557 9.502 286 HD3 PRO 37 1HD PRO 37 -4.297 7.755 10.944 287 H ALA 38 H ALA 38 -1.538 4.931 6.852 288 HA ALA 38 HA ALA 38 -3.748 4.075 5.307 289 HB1 ALA 38 1HB ALA 38 -2.243 6.497 4.329 290 HB2 ALA 38 2HB ALA 38 -3.905 6.505 4.923 291 HB3 ALA 38 3HB ALA 38 -3.497 5.602 3.465 292 H VAL 39 H VAL 39 -3.062 2.777 3.633 293 HA VAL 39 HA VAL 39 -0.186 2.311 3.575 294 HB VAL 39 HB VAL 39 -1.512 0.291 4.059 295 HG11 VAL 39 1HG1 VAL 39 -3.621 0.884 3.001 296 HG12 VAL 39 2HG1 VAL 39 -3.038 -0.681 2.415 297 HG13 VAL 39 3HG1 VAL 39 -2.856 0.753 1.410 298 HG21 VAL 39 3HG2 VAL 39 -0.687 -1.187 2.293 299 HG22 VAL 39 1HG2 VAL 39 0.531 -0.001 2.771 300 HG23 VAL 39 2HG2 VAL 39 -0.375 0.218 1.274 301 H VAL 40 H VAL 40 0.972 2.974 1.833 302 HA VAL 40 HA VAL 40 -0.597 4.097 -0.292 303 HB VAL 40 HB VAL 40 1.289 5.231 -1.023 304 HG11 VAL 40 1HG1 VAL 40 2.137 6.474 0.918 305 HG12 VAL 40 2HG1 VAL 40 1.402 5.261 1.965 306 HG13 VAL 40 3HG1 VAL 40 0.389 6.247 0.914 307 HG21 VAL 40 3HG2 VAL 40 2.984 3.442 0.684 308 HG22 VAL 40 1HG2 VAL 40 3.598 4.901 -0.142 309 HG23 VAL 40 2HG2 VAL 40 2.909 3.577 -1.081 310 H PHE 41 H PHE 41 -0.973 3.158 -2.072 311 HA PHE 41 HA PHE 41 0.393 0.682 -2.687 312 HB2 PHE 41 2HB PHE 41 -2.172 1.910 -3.571 313 HB3 PHE 41 1HB PHE 41 -1.478 0.622 -4.516 314 HD1 PHE 41 2HD PHE 41 -0.427 -1.035 -2.146 315 HD2 PHE 41 1HD PHE 41 -4.146 0.915 -2.844 316 HE1 PHE 41 2HE PHE 41 -1.540 -2.682 -0.739 317 HE2 PHE 41 1HE PHE 41 -5.268 -0.718 -1.425 318 HZ PHE 41 HZ PHE 41 -3.951 -2.554 -0.371 319 H THR 42 H THR 42 1.953 0.633 -4.084 320 HA THR 42 HA THR 42 2.411 2.842 -5.885 321 HB THR 42 HB THR 42 3.888 0.239 -5.440 322 HG1 THR 42 1HG THR 42 5.042 1.260 -3.963 323 HG21 THR 42 3HG2 THR 42 5.774 1.398 -6.575 324 HG22 THR 42 1HG2 THR 42 4.703 2.751 -6.943 325 HG23 THR 42 2HG2 THR 42 4.393 1.146 -7.632 326 H THR 43 H THR 43 1.120 2.770 -7.633 327 HA THR 43 HA THR 43 -0.015 0.334 -8.574 328 HB THR 43 HB THR 43 -0.991 1.788 -10.327 329 HG1 THR 43 1HG THR 43 -0.481 4.188 -9.457 330 HG21 THR 43 3HG2 THR 43 -1.197 2.860 -7.510 331 HG22 THR 43 1HG2 THR 43 -2.112 1.501 -8.161 332 HG23 THR 43 2HG2 THR 43 -2.377 3.129 -8.795 333 H LEU 44 H LEU 44 0.077 -0.105 -11.093 334 HA LEU 44 HA LEU 44 2.690 -0.766 -11.801 335 HB2 LEU 44 2HB LEU 44 0.214 -0.478 -13.489 336 HB3 LEU 44 1HB LEU 44 1.692 -1.284 -13.955 337 HG LEU 44 HG LEU 44 -0.190 -2.152 -11.763 338 HD11 LEU 44 1HD1 LEU 44 -1.116 -2.521 -13.960 339 HD12 LEU 44 2HD1 LEU 44 -0.664 -4.055 -13.213 340 HD13 LEU 44 3HD1 LEU 44 0.358 -3.344 -14.463 341 HD21 LEU 44 3HD2 LEU 44 2.111 -2.741 -11.199 342 HD22 LEU 44 1HD2 LEU 44 2.320 -3.478 -12.791 343 HD23 LEU 44 2HD2 LEU 44 1.192 -4.179 -11.633 344 H ARG 45 H ARG 45 0.731 1.959 -12.275 345 HA ARG 45 HA ARG 45 2.064 3.375 -14.303 346 HB2 ARG 45 2HB ARG 45 -0.110 4.042 -13.397 347 HB3 ARG 45 1HB ARG 45 0.629 4.408 -11.849 348 HG2 ARG 45 2HG ARG 45 0.173 6.430 -13.091 349 HG3 ARG 45 1HG ARG 45 1.914 6.212 -12.900 350 HD2 ARG 45 2HD ARG 45 2.039 5.313 -15.165 351 HD3 ARG 45 1HD ARG 45 0.295 5.528 -15.348 352 HE ARG 45 HE ARG 45 1.489 7.952 -14.612 353 HH11 ARG 45 1HH1 ARG 45 1.280 5.781 -17.394 354 HH12 ARG 45 2HH1 ARG 45 1.518 7.019 -18.541 355 HH21 ARG 45 1HH2 ARG 45 1.814 9.610 -16.144 356 HH22 ARG 45 2HH2 ARG 45 1.816 9.275 -17.820 357 H GLY 46 H GLY 46 2.751 2.944 -10.893 358 HA2 GLY 46 2HA GLY 46 4.960 3.038 -10.063 359 HA3 GLY 46 1HA GLY 46 5.345 4.271 -11.248 360 H ARG 47 H ARG 47 2.347 4.981 -10.093 361 HA ARG 47 HA ARG 47 3.452 6.985 -8.309 362 HB2 ARG 47 2HB ARG 47 1.903 7.669 -10.168 363 HB3 ARG 47 1HB ARG 47 0.698 6.623 -9.429 364 HG2 ARG 47 2HG ARG 47 0.627 7.953 -7.480 365 HG3 ARG 47 1HG ARG 47 1.893 9.025 -8.085 366 HD2 ARG 47 2HD ARG 47 -0.833 8.603 -9.320 367 HD3 ARG 47 1HD ARG 47 -0.323 10.018 -8.401 368 HE ARG 47 HE ARG 47 1.506 9.895 -10.352 369 HH11 ARG 47 1HH1 ARG 47 -2.031 9.864 -10.409 370 HH12 ARG 47 2HH1 ARG 47 -2.163 10.642 -11.916 371 HH21 ARG 47 1HH2 ARG 47 1.317 10.976 -12.462 372 HH22 ARG 47 2HH2 ARG 47 -0.213 11.250 -13.128 373 H GLN 48 H GLN 48 2.455 7.247 -6.248 374 HA GLN 48 HA GLN 48 1.366 4.716 -5.258 375 HB2 GLN 48 2HB GLN 48 2.849 6.811 -3.677 376 HB3 GLN 48 1HB GLN 48 2.327 5.232 -3.102 377 HG2 GLN 48 2HG GLN 48 3.832 4.171 -4.738 378 HG3 GLN 48 1HG GLN 48 4.394 5.770 -5.219 379 HE21 GLN 48 1HE2 GLN 48 4.515 3.299 -2.891 380 HE22 GLN 48 2HE2 GLN 48 5.763 3.985 -1.900 381 H LEU 49 H LEU 49 -0.413 4.738 -4.071 382 HA LEU 49 HA LEU 49 -1.764 7.291 -3.540 383 HB2 LEU 49 2HB LEU 49 -2.496 6.434 -5.770 384 HB3 LEU 49 1HB LEU 49 -2.994 4.951 -4.980 385 HG LEU 49 HG LEU 49 -4.727 6.155 -3.738 386 HD11 LEU 49 1HD1 LEU 49 -3.781 8.582 -5.261 387 HD12 LEU 49 2HD1 LEU 49 -3.643 8.320 -3.519 388 HD13 LEU 49 3HD1 LEU 49 -5.229 8.492 -4.261 389 HD21 LEU 49 3HD2 LEU 49 -5.279 5.227 -5.903 390 HD22 LEU 49 1HD2 LEU 49 -4.777 6.718 -6.699 391 HD23 LEU 49 2HD2 LEU 49 -6.180 6.718 -5.625 392 H CYS 50 H CYS 50 -2.855 7.217 -1.507 393 HA CYS 50 HA CYS 50 -2.315 4.861 -0.034 394 HB2 CYS 50 2HB CYS 50 -3.773 7.342 0.712 395 HB3 CYS 50 1HB CYS 50 -2.861 6.238 1.755 396 H ALA 51 H ALA 51 -3.732 3.476 0.832 397 HA ALA 51 HA ALA 51 -6.571 3.797 0.205 398 HB1 ALA 51 1HB ALA 51 -6.736 1.443 -0.270 399 HB2 ALA 51 2HB ALA 51 -5.020 1.196 0.112 400 HB3 ALA 51 3HB ALA 51 -5.516 2.171 -1.283 401 HA PRO 52 HA PRO 52 -7.373 3.267 4.416 402 HB2 PRO 52 2HB PRO 52 -9.701 1.955 4.515 403 HB3 PRO 52 1HB PRO 52 -9.584 3.582 3.835 404 HG2 PRO 52 2HG PRO 52 -9.606 0.943 2.397 405 HG3 PRO 52 1HG PRO 52 -10.570 2.368 2.012 406 HD2 PRO 52 2HD PRO 52 -8.343 1.698 0.750 407 HD3 PRO 52 1HD PRO 52 -8.770 3.396 0.956 408 HA PRO 53 HA PRO 53 -5.428 -0.823 5.135 409 HB2 PRO 53 2HB PRO 53 -4.848 0.265 7.792 410 HB3 PRO 53 1HB PRO 53 -3.725 -0.268 6.544 411 HG2 PRO 53 2HG PRO 53 -4.012 2.322 7.195 412 HG3 PRO 53 1HG PRO 53 -3.653 1.800 5.539 413 HD2 PRO 53 2HD PRO 53 -6.258 2.666 6.739 414 HD3 PRO 53 1HD PRO 53 -5.553 3.051 5.149 415 H ASP 54 H ASP 54 -7.938 0.711 6.730 416 HA ASP 54 HA ASP 54 -8.406 -1.445 8.648 417 HB2 ASP 54 2HB ASP 54 -9.914 1.139 8.255 418 HB3 ASP 54 1HB ASP 54 -10.179 -0.026 9.543 419 H GLN 55 H GLN 55 -9.210 -0.801 5.471 420 HA GLN 55 HA GLN 55 -11.862 -1.929 5.776 421 HB2 GLN 55 2HB GLN 55 -10.583 -0.621 3.385 422 HB3 GLN 55 1HB GLN 55 -12.183 -1.348 3.381 423 HG2 GLN 55 2HG GLN 55 -11.311 0.962 5.099 424 HG3 GLN 55 1HG GLN 55 -12.300 1.074 3.643 425 HE21 GLN 55 1HE2 GLN 55 -14.430 0.319 3.746 426 HE22 GLN 55 2HE2 GLN 55 -15.247 0.091 5.245 427 HA PRO 56 HA PRO 56 -10.606 -6.052 4.954 428 HB2 PRO 56 2HB PRO 56 -13.239 -6.019 3.567 429 HB3 PRO 56 1HB PRO 56 -12.562 -7.218 4.676 430 HG2 PRO 56 2HG PRO 56 -14.339 -5.497 5.585 431 HG3 PRO 56 1HG PRO 56 -12.892 -5.848 6.549 432 HD2 PRO 56 2HD PRO 56 -13.525 -3.445 4.900 433 HD3 PRO 56 1HD PRO 56 -12.659 -3.584 6.444 434 H TRP 57 H TRP 57 -11.912 -4.133 2.223 435 HA TRP 57 HA TRP 57 -11.106 -5.984 0.248 436 HB2 TRP 57 2HB TRP 57 -11.555 -4.327 -1.445 437 HB3 TRP 57 1HB TRP 57 -12.705 -4.016 -0.163 438 HD1 TRP 57 HD1 TRP 57 -12.385 -1.642 1.211 439 HE1 TRP 57 1HE TRP 57 -11.123 0.480 0.588 440 HE3 TRP 57 3HE TRP 57 -9.513 -3.448 -2.630 441 HZ2 TRP 57 2HZ TRP 57 -9.150 1.299 -1.252 442 HZ3 TRP 57 3HZ TRP 57 -7.976 -1.907 -3.756 443 HH2 TRP 57 HH2 TRP 57 -7.805 0.415 -3.081 444 H VAL 58 H VAL 58 -9.379 -3.474 1.912 445 HA VAL 58 HA VAL 58 -7.055 -3.567 0.244 446 HB VAL 58 HB VAL 58 -7.491 -2.303 2.979 447 HG11 VAL 58 1HG1 VAL 58 -5.151 -1.997 1.111 448 HG12 VAL 58 2HG1 VAL 58 -5.127 -2.868 2.646 449 HG13 VAL 58 3HG1 VAL 58 -5.393 -1.124 2.620 450 HG21 VAL 58 3HG2 VAL 58 -7.277 -1.093 0.232 451 HG22 VAL 58 1HG2 VAL 58 -7.457 -0.207 1.737 452 HG23 VAL 58 2HG2 VAL 58 -8.748 -1.264 1.176 453 H GLU 59 H GLU 59 -8.062 -4.926 3.291 454 HA GLU 59 HA GLU 59 -5.573 -5.986 4.058 455 HB2 GLU 59 2HB GLU 59 -8.330 -6.976 4.753 456 HB3 GLU 59 1HB GLU 59 -6.849 -7.367 5.625 457 HG2 GLU 59 2HG GLU 59 -6.566 -4.964 6.121 458 HG3 GLU 59 1HG GLU 59 -8.111 -4.655 5.345 459 H ARG 60 H ARG 60 -7.973 -7.125 1.844 460 HA ARG 60 HA ARG 60 -7.123 -9.815 1.618 461 HB2 ARG 60 2HB ARG 60 -9.353 -9.084 1.012 462 HB3 ARG 60 1HB ARG 60 -8.705 -7.967 -0.166 463 HG2 ARG 60 2HG ARG 60 -9.657 -9.860 -1.304 464 HG3 ARG 60 1HG ARG 60 -7.898 -9.834 -1.461 465 HD2 ARG 60 2HD ARG 60 -9.306 -11.513 0.611 466 HD3 ARG 60 1HD ARG 60 -8.987 -12.114 -1.013 467 HE ARG 60 HE ARG 60 -6.581 -11.390 -0.360 468 HH11 ARG 60 1HH1 ARG 60 -8.929 -13.005 1.722 469 HH12 ARG 60 2HH1 ARG 60 -7.791 -13.903 2.599 470 HH21 ARG 60 1HH2 ARG 60 -4.977 -12.642 0.829 471 HH22 ARG 60 2HH2 ARG 60 -5.479 -13.705 2.065 472 H ILE 61 H ILE 61 -6.435 -6.833 -0.136 473 HA ILE 61 HA ILE 61 -4.806 -8.168 -2.080 474 HB ILE 61 HB ILE 61 -4.384 -5.851 -2.933 475 HG12 ILE 61 2HG1 ILE 61 -6.411 -5.185 -0.805 476 HG13 ILE 61 1HG1 ILE 61 -4.740 -4.647 -0.852 477 HG21 ILE 61 1HG2 ILE 61 -6.735 -5.670 -3.842 478 HG22 ILE 61 2HG2 ILE 61 -7.236 -6.837 -2.626 479 HG23 ILE 61 3HG2 ILE 61 -6.107 -7.312 -3.887 480 HD11 ILE 61 3HD1 ILE 61 -6.955 -3.894 -2.722 481 HD12 ILE 61 1HD1 ILE 61 -5.264 -3.375 -2.886 482 HD13 ILE 61 2HD1 ILE 61 -6.221 -2.881 -1.494 483 H ILE 62 H ILE 62 -4.206 -6.258 0.759 484 HA ILE 62 HA ILE 62 -1.468 -5.822 0.491 485 HB ILE 62 HB ILE 62 -2.981 -6.500 3.033 486 HG12 ILE 62 2HG1 ILE 62 -2.060 -3.860 1.886 487 HG13 ILE 62 1HG1 ILE 62 -3.712 -4.450 1.936 488 HG21 ILE 62 1HG2 ILE 62 -1.079 -5.555 4.275 489 HG22 ILE 62 2HG2 ILE 62 -0.177 -5.399 2.768 490 HG23 ILE 62 3HG2 ILE 62 -0.617 -6.997 3.369 491 HD11 ILE 62 3HD1 ILE 62 -3.688 -4.369 4.369 492 HD12 ILE 62 1HD1 ILE 62 -3.288 -2.794 3.681 493 HD13 ILE 62 2HD1 ILE 62 -2.012 -3.816 4.339 494 H GLN 63 H GLN 63 -3.115 -8.717 1.675 495 HA GLN 63 HA GLN 63 -0.839 -10.239 2.298 496 HB2 GLN 63 2HB GLN 63 -3.508 -11.221 1.271 497 HB3 GLN 63 1HB GLN 63 -2.291 -12.216 2.055 498 HG2 GLN 63 2HG GLN 63 -3.800 -9.933 3.337 499 HG3 GLN 63 1HG GLN 63 -4.146 -11.643 3.538 500 HE21 GLN 63 1HE2 GLN 63 -3.830 -11.539 5.776 501 HE22 GLN 63 2HE2 GLN 63 -2.268 -11.356 6.475 502 H ARG 64 H ARG 64 -2.630 -9.835 -0.682 503 HA ARG 64 HA ARG 64 -1.293 -11.675 -2.302 504 HB2 ARG 64 2HB ARG 64 -3.437 -10.581 -2.900 505 HB3 ARG 64 1HB ARG 64 -2.618 -9.044 -3.039 506 HG2 ARG 64 2HG ARG 64 -1.930 -11.383 -4.774 507 HG3 ARG 64 1HG ARG 64 -3.249 -10.289 -5.196 508 HD2 ARG 64 2HD ARG 64 -1.600 -8.425 -5.213 509 HD3 ARG 64 1HD ARG 64 -0.322 -9.585 -4.862 510 HE ARG 64 HE ARG 64 -1.409 -10.621 -7.077 511 HH11 ARG 64 1HH1 ARG 64 -0.400 -7.268 -6.423 512 HH12 ARG 64 2HH1 ARG 64 0.068 -6.971 -8.028 513 HH21 ARG 64 1HH2 ARG 64 -0.757 -10.179 -9.263 514 HH22 ARG 64 2HH2 ARG 64 -0.158 -8.626 -9.663 515 H LEU 65 H LEU 65 -0.546 -8.274 -1.563 516 HA LEU 65 HA LEU 65 1.750 -8.352 -3.242 517 HB2 LEU 65 2HB LEU 65 0.897 -6.353 -1.185 518 HB3 LEU 65 1HB LEU 65 2.306 -6.178 -2.211 519 HG LEU 65 HG LEU 65 -0.556 -6.296 -3.141 520 HD11 LEU 65 1HD1 LEU 65 0.013 -4.240 -2.044 521 HD12 LEU 65 2HD1 LEU 65 -0.096 -3.971 -3.806 522 HD13 LEU 65 3HD1 LEU 65 1.470 -4.094 -3.028 523 HD21 LEU 65 3HD2 LEU 65 2.004 -5.937 -4.699 524 HD22 LEU 65 1HD2 LEU 65 0.371 -5.766 -5.340 525 HD23 LEU 65 2HD2 LEU 65 0.924 -7.332 -4.771 526 H GLN 66 H GLN 66 1.216 -8.836 0.211 527 HA GLN 66 HA GLN 66 3.964 -8.777 0.857 528 HB2 GLN 66 2HB GLN 66 1.746 -10.227 2.301 529 HB3 GLN 66 1HB GLN 66 3.379 -10.045 2.916 530 HG2 GLN 66 2HG GLN 66 3.101 -7.637 2.867 531 HG3 GLN 66 1HG GLN 66 1.417 -7.835 2.358 532 HE21 GLN 66 1HE2 GLN 66 2.440 -6.548 4.730 533 HE22 GLN 66 2HE2 GLN 66 1.787 -7.398 6.076 534 H ARG 67 H ARG 67 2.042 -11.231 -0.549 535 HA ARG 67 HA ARG 67 4.144 -13.191 -0.149 536 HB2 ARG 67 2HB ARG 67 1.670 -13.366 -1.874 537 HB3 ARG 67 1HB ARG 67 2.760 -14.688 -1.510 538 HG2 ARG 67 2HG ARG 67 1.055 -13.227 0.507 539 HG3 ARG 67 1HG ARG 67 0.652 -14.772 -0.219 540 HD2 ARG 67 2HD ARG 67 1.532 -15.184 1.967 541 HD3 ARG 67 1HD ARG 67 2.749 -15.705 0.807 542 HE ARG 67 HE ARG 67 3.599 -13.249 1.379 543 HH11 ARG 67 1HH1 ARG 67 2.525 -15.840 3.556 544 HH12 ARG 67 2HH1 ARG 67 3.482 -15.273 4.853 545 HH21 ARG 67 1HH2 ARG 67 4.908 -12.550 3.172 546 HH22 ARG 67 2HH2 ARG 67 4.829 -13.421 4.636 547 H THR 68 H THR 68 3.134 -11.013 -2.682 548 HA THR 68 HA THR 68 4.871 -12.312 -4.597 549 HB THR 68 HB THR 68 4.117 -10.541 -6.154 550 HG1 THR 68 1HG THR 68 2.047 -10.011 -4.334 551 HG21 THR 68 3HG2 THR 68 1.975 -12.196 -4.815 552 HG22 THR 68 1HG2 THR 68 3.044 -12.732 -6.114 553 HG23 THR 68 2HG2 THR 68 1.844 -11.477 -6.420 554 H SER 69 H SER 69 4.917 -9.450 -2.767 555 HA SER 69 HA SER 69 7.224 -8.414 -4.187 556 HB2 SER 69 2HB SER 69 5.414 -6.890 -3.416 557 HB3 SER 69 1HB SER 69 5.821 -7.292 -1.753 558 HG SER 69 HG SER 69 7.056 -5.672 -3.581 559 H ALA 70 H ALA 70 6.496 -9.799 -1.030 560 HA ALA 70 HA ALA 70 9.122 -9.401 0.024 561 HB1 ALA 70 1HB ALA 70 8.384 -10.856 1.860 562 HB2 ALA 70 2HB ALA 70 6.931 -11.256 0.932 563 HB3 ALA 70 3HB ALA 70 7.185 -9.610 1.500 564 H LYS 71 H LYS 71 7.402 -12.171 -1.329 565 HA LYS 71 HA LYS 71 10.012 -13.357 -1.774 566 HB2 LYS 71 2HB LYS 71 8.720 -14.569 -0.197 567 HB3 LYS 71 1HB LYS 71 7.368 -14.751 -1.307 568 HG2 LYS 71 2HG LYS 71 8.702 -16.200 -2.723 569 HG3 LYS 71 1HG LYS 71 10.132 -15.905 -1.727 570 HD2 LYS 71 2HD LYS 71 7.586 -17.223 -0.766 571 HD3 LYS 71 1HD LYS 71 9.061 -18.082 -1.217 572 HE2 LYS 71 2HE LYS 71 10.291 -16.940 0.566 573 HE3 LYS 71 1HE LYS 71 8.861 -16.022 1.006 574 HZ1 LYS 71 3HZ LYS 71 7.777 -18.061 1.632 575 HZ2 LYS 71 1HZ LYS 71 9.226 -17.885 2.469 576 HZ3 LYS 71 2HZ LYS 71 9.132 -18.966 1.181 577 H MET 72 H MET 72 10.455 -12.618 -3.554 578 HA MET 72 HA MET 72 9.086 -11.399 -5.385 579 HB2 MET 72 2HB MET 72 11.579 -12.991 -5.817 580 HB3 MET 72 1HB MET 72 10.929 -11.782 -6.910 581 HG2 MET 72 2HG MET 72 12.683 -10.790 -5.605 582 HG3 MET 72 1HG MET 72 11.140 -10.085 -5.132 583 HE1 MET 72 3HE MET 72 13.735 -9.673 -3.421 584 HE2 MET 72 1HE MET 72 13.134 -9.987 -1.793 585 HE3 MET 72 2HE MET 72 12.154 -9.069 -2.931 586 H LYS 73 H LYS 73 7.313 -11.997 -6.199 587 HA LYS 73 HA LYS 73 7.476 -13.986 -8.303 588 HB2 LYS 73 2HB LYS 73 5.158 -13.663 -6.390 589 HB3 LYS 73 1HB LYS 73 4.994 -14.453 -7.947 590 HG2 LYS 73 2HG LYS 73 6.675 -16.112 -7.252 591 HG3 LYS 73 1HG LYS 73 6.761 -15.324 -5.674 592 HD2 LYS 73 2HD LYS 73 4.454 -15.836 -5.234 593 HD3 LYS 73 1HD LYS 73 4.236 -16.455 -6.871 594 HE2 LYS 73 2HE LYS 73 4.468 -18.275 -5.277 595 HE3 LYS 73 1HE LYS 73 5.815 -18.253 -6.406 596 HZ1 LYS 73 3HZ LYS 73 5.853 -17.239 -3.621 597 HZ2 LYS 73 1HZ LYS 73 7.168 -17.183 -4.683 598 HZ3 LYS 73 2HZ LYS 73 6.546 -18.662 -4.177 599 H ARG 74 H ARG 74 7.726 -12.654 -9.903 600 HA ARG 74 HA ARG 74 5.504 -10.921 -10.492 601 HB2 ARG 74 2HB ARG 74 7.004 -9.090 -11.198 602 HB3 ARG 74 1HB ARG 74 7.115 -9.415 -9.479 603 HG2 ARG 74 2HG ARG 74 9.202 -10.685 -9.911 604 HG3 ARG 74 1HG ARG 74 9.094 -10.204 -11.607 605 HD2 ARG 74 2HD ARG 74 9.104 -7.835 -10.883 606 HD3 ARG 74 1HD ARG 74 9.329 -8.378 -9.222 607 HE ARG 74 HE ARG 74 11.289 -9.348 -11.091 608 HH11 ARG 74 1HH1 ARG 74 10.529 -6.894 -8.642 609 HH12 ARG 74 2HH1 ARG 74 12.093 -6.237 -8.611 610 HH21 ARG 74 1HH2 ARG 74 13.454 -8.472 -11.011 611 HH22 ARG 74 2HH2 ARG 74 13.809 -7.169 -9.995 612 H ARG 75 H ARG 75 5.934 -10.028 -12.846 613 HA ARG 75 HA ARG 75 6.830 -12.241 -14.561 614 HB2 ARG 75 2HB ARG 75 4.576 -12.275 -15.602 615 HB3 ARG 75 1HB ARG 75 4.485 -12.674 -13.894 616 HG2 ARG 75 2HG ARG 75 4.104 -10.027 -13.748 617 HG3 ARG 75 1HG ARG 75 3.451 -10.331 -15.352 618 HD2 ARG 75 2HD ARG 75 1.697 -10.460 -13.686 619 HD3 ARG 75 1HD ARG 75 1.985 -12.054 -14.393 620 HE ARG 75 HE ARG 75 2.693 -12.817 -12.386 621 HH11 ARG 75 1HH1 ARG 75 2.745 -9.212 -12.165 622 HH12 ARG 75 2HH1 ARG 75 2.944 -9.242 -10.483 623 HH21 ARG 75 1HH2 ARG 75 2.974 -12.727 -10.064 624 HH22 ARG 75 2HH2 ARG 75 3.067 -11.219 -9.273 625 H SER 76 H SER 76 5.392 -10.906 -16.849 626 HA SER 76 HA SER 76 7.183 -8.947 -17.626 627 HB2 SER 76 2HB SER 76 5.388 -8.262 -19.252 628 HB3 SER 76 1HB SER 76 5.673 -10.003 -19.222 629 HG SER 76 HG SER 76 3.694 -10.295 -18.513 630 H SER 77 H SER 77 4.235 -8.689 -15.753 631 HA SER 77 HA SER 77 5.141 -6.118 -14.770 632 HB2 SER 77 2HB SER 77 3.223 -5.825 -16.401 633 HB3 SER 77 1HB SER 77 2.253 -6.846 -15.360 634 HG SER 77 HG SER 77 1.778 -5.116 -14.403 Start of MODEL 3 1 H1 GLY 1 1HT GLY 1 3.257 18.544 -2.660 2 H2 GLY 1 2HT GLY 1 4.242 18.545 -4.045 3 H3 GLY 1 3HT GLY 1 4.753 19.299 -2.617 4 HA2 GLY 1 1HA GLY 1 4.250 16.408 -2.889 5 HA3 GLY 1 2HA GLY 1 5.840 17.171 -2.892 6 H THR 2 H THR 2 4.770 15.234 -1.012 7 HA THR 2 HA THR 2 4.235 16.753 1.390 8 HB THR 2 HB THR 2 4.638 13.768 0.968 9 HG1 THR 2 1HG THR 2 2.788 14.967 -0.018 10 HG21 THR 2 3HG2 THR 2 5.027 14.433 3.309 11 HG22 THR 2 1HG2 THR 2 3.538 13.503 3.155 12 HG23 THR 2 2HG2 THR 2 3.468 15.258 3.335 13 H ASN 3 H ASN 3 5.710 16.902 3.122 14 HA ASN 3 HA ASN 3 8.404 17.189 2.436 15 HB2 ASN 3 2HB ASN 3 7.234 16.881 5.220 16 HB3 ASN 3 1HB ASN 3 8.865 17.427 4.860 17 HD21 ASN 3 1HD2 ASN 3 8.642 19.421 5.801 18 HD22 ASN 3 2HD2 ASN 3 7.619 20.662 5.192 19 H ASP 4 H ASP 4 10.269 16.057 3.051 20 HA ASP 4 HA ASP 4 11.626 14.311 3.404 21 HB2 ASP 4 2HB ASP 4 10.190 13.831 5.476 22 HB3 ASP 4 1HB ASP 4 9.197 12.786 4.479 23 H ALA 5 H ALA 5 10.920 11.453 2.876 24 HA ALA 5 HA ALA 5 10.989 11.685 -0.000 25 HB1 ALA 5 1HB ALA 5 11.057 9.191 1.692 26 HB2 ALA 5 2HB ALA 5 12.477 10.124 1.212 27 HB3 ALA 5 3HB ALA 5 11.493 9.315 -0.009 28 H GLU 6 H GLU 6 8.637 11.632 2.091 29 HA GLU 6 HA GLU 6 6.563 11.076 2.323 30 HB2 GLU 6 2HB GLU 6 5.001 11.750 0.618 31 HB3 GLU 6 1HB GLU 6 6.329 12.889 0.801 32 HG2 GLU 6 2HG GLU 6 7.333 12.109 -1.225 33 HG3 GLU 6 1HG GLU 6 6.104 10.848 -1.364 34 H ASP 7 H ASP 7 6.957 9.045 2.899 35 HA ASP 7 HA ASP 7 5.640 7.157 1.167 36 HB2 ASP 7 2HB ASP 7 7.371 6.804 3.583 37 HB3 ASP 7 1HB ASP 7 6.303 5.520 3.034 38 H CYS 8 H CYS 8 5.237 9.181 3.815 39 HA CYS 8 HA CYS 8 2.910 7.882 4.798 40 HB2 CYS 8 2HB CYS 8 3.982 10.663 5.173 41 HB3 CYS 8 1HB CYS 8 2.646 9.957 6.043 42 H CYS 9 H CYS 9 0.873 8.561 4.364 43 HA CYS 9 HA CYS 9 0.751 9.593 1.634 44 HB2 CYS 9 2HB CYS 9 -0.342 7.343 2.657 45 HB3 CYS 9 1HB CYS 9 -1.707 8.458 2.746 46 H LEU 10 H LEU 10 -1.499 10.596 1.093 47 HA LEU 10 HA LEU 10 -1.607 13.050 2.638 48 HB2 LEU 10 2HB LEU 10 -1.463 12.820 0.073 49 HB3 LEU 10 1HB LEU 10 -3.123 12.302 0.126 50 HG LEU 10 HG LEU 10 -2.074 15.042 0.876 51 HD11 LEU 10 1HD1 LEU 10 -3.694 14.115 -1.477 52 HD12 LEU 10 2HD1 LEU 10 -2.005 14.617 -1.494 53 HD13 LEU 10 3HD1 LEU 10 -3.271 15.788 -1.118 54 HD21 LEU 10 3HD2 LEU 10 -4.418 15.741 1.010 55 HD22 LEU 10 1HD2 LEU 10 -4.060 14.504 2.211 56 HD23 LEU 10 2HD2 LEU 10 -4.937 14.077 0.741 57 H SER 11 H SER 11 -4.100 10.893 1.178 58 HA SER 11 HA SER 11 -5.526 10.342 3.505 59 HB2 SER 11 2HB SER 11 -7.545 11.759 3.113 60 HB3 SER 11 1HB SER 11 -6.134 12.741 3.486 61 HG SER 11 HG SER 11 -7.513 12.411 1.071 62 H VAL 12 H VAL 12 -7.441 9.014 2.921 63 HA VAL 12 HA VAL 12 -7.033 8.021 0.193 64 HB VAL 12 HB VAL 12 -7.703 5.937 0.807 65 HG11 VAL 12 1HG1 VAL 12 -5.728 6.307 2.007 66 HG12 VAL 12 2HG1 VAL 12 -6.782 5.285 2.988 67 HG13 VAL 12 3HG1 VAL 12 -6.608 7.000 3.367 68 HG21 VAL 12 3HG2 VAL 12 -9.315 6.985 3.156 69 HG22 VAL 12 1HG2 VAL 12 -9.111 5.277 2.661 70 HG23 VAL 12 2HG2 VAL 12 -9.904 6.396 1.584 71 H THR 13 H THR 13 -8.900 7.358 -1.002 72 HA THR 13 HA THR 13 -11.168 9.125 -0.500 73 HB THR 13 HB THR 13 -10.187 9.424 -2.734 74 HG1 THR 13 1HG THR 13 -12.350 9.643 -2.771 75 HG21 THR 13 3HG2 THR 13 -9.112 7.259 -3.008 76 HG22 THR 13 1HG2 THR 13 -10.143 7.612 -4.394 77 HG23 THR 13 2HG2 THR 13 -10.688 6.480 -3.156 78 H GLN 14 H GLN 14 -13.305 7.952 -1.322 79 HA GLN 14 HA GLN 14 -14.015 6.068 0.514 80 HB2 GLN 14 2HB GLN 14 -15.169 6.353 -2.266 81 HB3 GLN 14 1HB GLN 14 -15.914 5.458 -0.952 82 HG2 GLN 14 2HG GLN 14 -16.064 7.494 0.372 83 HG3 GLN 14 1HG GLN 14 -15.311 8.399 -0.934 84 HE21 GLN 14 1HE2 GLN 14 -17.906 8.675 0.337 85 HE22 GLN 14 2HE2 GLN 14 -19.072 8.586 -0.931 86 H LYS 15 H LYS 15 -13.291 5.170 -2.878 87 HA LYS 15 HA LYS 15 -11.820 2.981 -1.784 88 HB2 LYS 15 2HB LYS 15 -14.041 2.027 -2.210 89 HB3 LYS 15 1HB LYS 15 -13.939 2.522 -3.893 90 HG2 LYS 15 2HG LYS 15 -12.075 1.067 -4.268 91 HG3 LYS 15 1HG LYS 15 -12.025 0.639 -2.563 92 HD2 LYS 15 2HD LYS 15 -14.327 0.066 -4.433 93 HD3 LYS 15 1HD LYS 15 -13.097 -1.104 -3.961 94 HE2 LYS 15 2HE LYS 15 -13.776 -0.827 -1.593 95 HE3 LYS 15 1HE LYS 15 -15.045 0.280 -2.106 96 HZ1 LYS 15 3HZ LYS 15 -15.906 -1.937 -1.747 97 HZ2 LYS 15 1HZ LYS 15 -14.838 -2.583 -2.863 98 HZ3 LYS 15 2HZ LYS 15 -16.053 -1.534 -3.369 99 HA PRO 16 HA PRO 16 -9.322 5.310 -4.687 100 HB2 PRO 16 2HB PRO 16 -6.971 3.936 -3.938 101 HB3 PRO 16 1HB PRO 16 -7.582 5.456 -3.307 102 HG2 PRO 16 2HG PRO 16 -7.828 2.729 -2.096 103 HG3 PRO 16 1HG PRO 16 -7.725 4.302 -1.374 104 HD2 PRO 16 2HD PRO 16 -9.963 2.920 -1.504 105 HD3 PRO 16 1HD PRO 16 -9.844 4.671 -1.457 106 H ILE 17 H ILE 17 -7.696 2.103 -4.695 107 HA ILE 17 HA ILE 17 -8.497 1.765 -7.476 108 HB ILE 17 HB ILE 17 -6.244 1.479 -8.311 109 HG12 ILE 17 2HG1 ILE 17 -4.979 0.824 -6.321 110 HG13 ILE 17 1HG1 ILE 17 -4.198 2.187 -7.092 111 HG21 ILE 17 1HG2 ILE 17 -6.627 4.204 -7.159 112 HG22 ILE 17 2HG2 ILE 17 -7.193 3.590 -8.707 113 HG23 ILE 17 3HG2 ILE 17 -5.464 3.788 -8.420 114 HD11 ILE 17 3HD1 ILE 17 -5.869 2.240 -4.583 115 HD12 ILE 17 1HD1 ILE 17 -5.162 3.660 -5.345 116 HD13 ILE 17 2HD1 ILE 17 -4.116 2.404 -4.684 117 HA PRO 18 HA PRO 18 -8.382 -2.509 -6.380 118 HB2 PRO 18 2HB PRO 18 -7.549 -3.601 -8.771 119 HB3 PRO 18 1HB PRO 18 -9.212 -3.107 -8.441 120 HG2 PRO 18 2HG PRO 18 -7.050 -1.633 -9.886 121 HG3 PRO 18 1HG PRO 18 -8.763 -1.794 -10.305 122 HD2 PRO 18 2HD PRO 18 -7.832 0.432 -9.168 123 HD3 PRO 18 1HD PRO 18 -9.424 -0.218 -8.724 124 H GLY 19 H GLY 19 -6.956 -4.024 -5.682 125 HA2 GLY 19 2HA GLY 19 -4.202 -3.199 -5.444 126 HA3 GLY 19 1HA GLY 19 -4.935 -4.580 -4.657 127 H TYR 20 H TYR 20 -5.760 -4.779 -7.790 128 HA TYR 20 HA TYR 20 -3.844 -6.794 -8.313 129 HB2 TYR 20 2HB TYR 20 -6.111 -7.122 -8.924 130 HB3 TYR 20 1HB TYR 20 -6.173 -5.620 -9.820 131 HD1 TYR 20 1HD TYR 20 -4.955 -9.064 -9.777 132 HD2 TYR 20 2HD TYR 20 -5.341 -5.522 -12.011 133 HE1 TYR 20 1HE TYR 20 -4.349 -10.324 -11.824 134 HE2 TYR 20 2HE TYR 20 -4.753 -6.734 -14.090 135 HH TYR 20 HH TYR 20 -3.500 -8.780 -14.692 136 H ILE 21 H ILE 21 -4.137 -3.374 -8.971 137 HA ILE 21 HA ILE 21 -2.141 -3.563 -11.120 138 HB ILE 21 HB ILE 21 -2.681 -1.234 -11.684 139 HG12 ILE 21 2HG1 ILE 21 -4.777 -1.416 -9.497 140 HG13 ILE 21 1HG1 ILE 21 -3.309 -0.452 -9.417 141 HG21 ILE 21 1HG2 ILE 21 -4.952 -1.604 -12.531 142 HG22 ILE 21 2HG2 ILE 21 -5.103 -3.011 -11.479 143 HG23 ILE 21 3HG2 ILE 21 -3.912 -3.008 -12.779 144 HD11 ILE 21 3HD1 ILE 21 -5.580 -0.069 -11.360 145 HD12 ILE 21 1HD1 ILE 21 -4.106 0.896 -11.300 146 HD13 ILE 21 2HD1 ILE 21 -5.236 0.926 -9.949 147 H VAL 22 H VAL 22 -1.840 -3.564 -8.045 148 HA VAL 22 HA VAL 22 0.103 -1.382 -7.866 149 HB VAL 22 HB VAL 22 -1.517 -1.299 -6.074 150 HG11 VAL 22 1HG1 VAL 22 -2.216 -3.575 -6.055 151 HG12 VAL 22 2HG1 VAL 22 -1.739 -3.045 -4.439 152 HG13 VAL 22 3HG1 VAL 22 -0.660 -4.075 -5.388 153 HG21 VAL 22 3HG2 VAL 22 1.136 -2.290 -5.097 154 HG22 VAL 22 1HG2 VAL 22 -0.053 -1.415 -4.136 155 HG23 VAL 22 2HG2 VAL 22 0.709 -0.634 -5.518 156 H ARG 23 H ARG 23 2.119 -1.561 -7.461 157 HA ARG 23 HA ARG 23 3.398 -4.050 -8.273 158 HB2 ARG 23 2HB ARG 23 3.847 -1.532 -9.089 159 HB3 ARG 23 1HB ARG 23 4.702 -1.438 -7.599 160 HG2 ARG 23 2HG ARG 23 5.410 -3.404 -9.773 161 HG3 ARG 23 1HG ARG 23 6.160 -1.836 -9.543 162 HD2 ARG 23 2HD ARG 23 6.874 -2.590 -7.278 163 HD3 ARG 23 1HD ARG 23 6.222 -4.183 -7.652 164 HE ARG 23 HE ARG 23 7.939 -3.484 -9.704 165 HH11 ARG 23 1HH1 ARG 23 8.141 -4.309 -6.254 166 HH12 ARG 23 2HH1 ARG 23 9.758 -4.812 -6.330 167 HH21 ARG 23 1HH2 ARG 23 10.207 -4.162 -9.789 168 HH22 ARG 23 2HH2 ARG 23 10.967 -4.690 -8.362 169 H ASN 24 H ASN 24 3.685 -1.587 -5.702 170 HA ASN 24 HA ASN 24 4.550 -3.578 -3.714 171 HB2 ASN 24 2HB ASN 24 5.937 -0.935 -4.274 172 HB3 ASN 24 1HB ASN 24 6.234 -1.911 -2.853 173 HD21 ASN 24 1HD2 ASN 24 8.041 -0.984 -4.905 174 HD22 ASN 24 2HD2 ASN 24 8.791 -2.370 -5.570 175 H PHE 25 H PHE 25 4.322 -2.596 -1.483 176 HA PHE 25 HA PHE 25 2.595 -0.245 -1.444 177 HB2 PHE 25 2HB PHE 25 1.029 -1.233 0.078 178 HB3 PHE 25 1HB PHE 25 1.002 -2.211 -1.352 179 HD1 PHE 25 1HD PHE 25 2.583 -4.308 -1.288 180 HD2 PHE 25 2HD PHE 25 1.251 -2.228 2.157 181 HE1 PHE 25 1HE PHE 25 3.041 -6.297 0.068 182 HE2 PHE 25 2HE PHE 25 1.710 -4.210 3.543 183 HZ PHE 25 HZ PHE 25 2.609 -6.250 2.503 184 H HIS 26 H HIS 26 2.478 0.693 0.673 185 HA HIS 26 HA HIS 26 4.383 -0.335 2.615 186 HB2 HIS 26 2HB HIS 26 4.260 2.618 1.822 187 HB3 HIS 26 1HB HIS 26 5.156 1.965 3.177 188 HD1 HIS 26 1HD HIS 26 5.807 3.180 -0.067 189 HD2 HIS 26 2HD HIS 26 7.047 -0.190 2.043 190 HE1 HIS 26 1HE HIS 26 7.864 2.433 -1.174 191 HE2 HIS 26 2HE HIS 26 8.766 0.623 0.328 192 H TYR 27 H TYR 27 3.504 -0.451 4.540 193 HA TYR 27 HA TYR 27 0.778 0.519 4.831 194 HB2 TYR 27 2HB TYR 27 1.647 -1.880 5.289 195 HB3 TYR 27 1HB TYR 27 2.339 -1.189 6.753 196 HD1 TYR 27 2HD TYR 27 -0.795 -1.130 4.874 197 HD2 TYR 27 1HD TYR 27 1.029 -1.385 8.661 198 HE1 TYR 27 2HE TYR 27 -2.982 -1.383 5.842 199 HE2 TYR 27 1HE TYR 27 -1.175 -1.649 9.726 200 HH TYR 27 HH TYR 27 -3.954 -2.326 7.902 201 H LEU 28 H LEU 28 0.408 2.379 5.931 202 HA LEU 28 HA LEU 28 2.518 3.372 7.705 203 HB2 LEU 28 2HB LEU 28 0.611 4.821 5.892 204 HB3 LEU 28 1HB LEU 28 1.414 5.639 7.199 205 HG LEU 28 HG LEU 28 2.447 6.096 5.084 206 HD11 LEU 28 1HD1 LEU 28 4.215 4.410 6.838 207 HD12 LEU 28 2HD1 LEU 28 3.850 6.134 7.003 208 HD13 LEU 28 3HD1 LEU 28 4.755 5.558 5.603 209 HD21 LEU 28 3HD2 LEU 28 3.658 4.402 3.804 210 HD22 LEU 28 1HD2 LEU 28 1.929 4.066 3.865 211 HD23 LEU 28 2HD2 LEU 28 3.044 3.154 4.885 212 H LEU 29 H LEU 29 1.993 3.549 9.753 213 HA LEU 29 HA LEU 29 -0.792 4.090 10.471 214 HB2 LEU 29 2HB LEU 29 1.201 2.337 11.902 215 HB3 LEU 29 1HB LEU 29 -0.347 2.805 12.555 216 HG LEU 29 HG LEU 29 0.115 1.110 10.133 217 HD11 LEU 29 1HD1 LEU 29 -0.796 -0.704 11.554 218 HD12 LEU 29 2HD1 LEU 29 -0.853 0.419 12.912 219 HD13 LEU 29 3HD1 LEU 29 0.697 -0.035 12.205 220 HD21 LEU 29 3HD2 LEU 29 -1.949 2.375 9.912 221 HD22 LEU 29 1HD2 LEU 29 -2.460 1.870 11.526 222 HD23 LEU 29 2HD2 LEU 29 -2.319 0.684 10.226 223 H ILE 30 H ILE 30 -0.767 4.979 12.791 224 HA ILE 30 HA ILE 30 1.065 7.194 12.840 225 HB ILE 30 HB ILE 30 -0.798 6.316 15.087 226 HG12 ILE 30 2HG1 ILE 30 -1.396 8.132 12.715 227 HG13 ILE 30 1HG1 ILE 30 -2.071 6.549 13.002 228 HG21 ILE 30 1HG2 ILE 30 0.887 7.977 15.714 229 HG22 ILE 30 2HG2 ILE 30 -0.715 8.724 15.696 230 HG23 ILE 30 3HG2 ILE 30 0.426 8.992 14.364 231 HD11 ILE 30 3HD1 ILE 30 -3.654 8.305 13.572 232 HD12 ILE 30 1HD1 ILE 30 -2.516 8.958 14.749 233 HD13 ILE 30 2HD1 ILE 30 -3.213 7.356 14.994 234 H LYS 31 H LYS 31 0.968 4.026 13.997 235 HA LYS 31 HA LYS 31 2.821 4.093 16.107 236 HB2 LYS 31 2HB LYS 31 2.388 1.928 14.043 237 HB3 LYS 31 1HB LYS 31 3.282 1.725 15.538 238 HG2 LYS 31 2HG LYS 31 1.224 2.179 16.802 239 HG3 LYS 31 1HG LYS 31 0.339 2.319 15.279 240 HD2 LYS 31 2HD LYS 31 0.947 0.006 14.721 241 HD3 LYS 31 1HD LYS 31 1.834 -0.125 16.240 242 HE2 LYS 31 2HE LYS 31 -0.262 0.279 17.471 243 HE3 LYS 31 1HE LYS 31 -1.123 0.348 15.932 244 HZ1 LYS 31 3HZ LYS 31 -0.471 -1.951 15.514 245 HZ2 LYS 31 1HZ LYS 31 -1.297 -1.843 16.977 246 HZ3 LYS 31 2HZ LYS 31 0.369 -1.989 16.967 247 H ASP 32 H ASP 32 3.193 4.128 12.606 248 HA ASP 32 HA ASP 32 6.032 3.863 12.559 249 HB2 ASP 32 2HB ASP 32 4.156 5.101 10.521 250 HB3 ASP 32 1HB ASP 32 5.857 4.762 10.240 251 H GLY 33 H GLY 33 3.775 6.543 12.657 252 HA2 GLY 33 2HA GLY 33 5.015 8.276 14.217 253 HA3 GLY 33 1HA GLY 33 5.950 8.469 12.748 254 H CYS 34 H CYS 34 4.102 8.360 10.806 255 HA CYS 34 HA CYS 34 3.060 10.976 10.966 256 HB2 CYS 34 2HB CYS 34 2.628 8.815 8.900 257 HB3 CYS 34 1HB CYS 34 2.107 10.488 8.717 258 H ARG 35 H ARG 35 1.086 11.709 11.392 259 HA ARG 35 HA ARG 35 -0.665 9.906 12.773 260 HB2 ARG 35 2HB ARG 35 -0.789 12.894 12.413 261 HB3 ARG 35 1HB ARG 35 -1.938 11.963 13.372 262 HG2 ARG 35 2HG ARG 35 -0.090 11.148 14.768 263 HG3 ARG 35 1HG ARG 35 1.027 12.140 13.838 264 HD2 ARG 35 2HD ARG 35 -0.122 14.152 14.576 265 HD3 ARG 35 1HD ARG 35 -1.306 13.179 15.447 266 HE ARG 35 HE ARG 35 1.433 12.704 16.163 267 HH11 ARG 35 1HH1 ARG 35 -1.450 14.615 16.899 268 HH12 ARG 35 2HH1 ARG 35 -1.014 14.912 18.520 269 HH21 ARG 35 1HH2 ARG 35 2.030 13.140 18.406 270 HH22 ARG 35 2HH2 ARG 35 0.995 14.069 19.379 271 H VAL 36 H VAL 36 -0.452 9.808 9.857 272 HA VAL 36 HA VAL 36 -3.299 9.780 9.349 273 HB VAL 36 HB VAL 36 -2.432 11.650 8.041 274 HG11 VAL 36 1HG1 VAL 36 -0.709 11.405 6.322 275 HG12 VAL 36 2HG1 VAL 36 -0.445 9.739 6.840 276 HG13 VAL 36 3HG1 VAL 36 -0.093 11.064 7.943 277 HG21 VAL 36 3HG2 VAL 36 -3.045 10.963 5.759 278 HG22 VAL 36 1HG2 VAL 36 -4.168 10.329 6.964 279 HG23 VAL 36 2HG2 VAL 36 -2.950 9.273 6.254 280 HA PRO 37 HA PRO 37 -1.763 5.600 8.777 281 HB2 PRO 37 2HB PRO 37 -3.818 4.293 9.894 282 HB3 PRO 37 1HB PRO 37 -2.643 5.168 10.864 283 HG2 PRO 37 2HG PRO 37 -5.413 5.968 10.129 284 HG3 PRO 37 1HG PRO 37 -4.515 6.257 11.630 285 HD2 PRO 37 2HD PRO 37 -4.853 8.083 9.514 286 HD3 PRO 37 1HD PRO 37 -3.697 8.228 10.852 287 H ALA 38 H ALA 38 -1.904 4.490 6.990 288 HA ALA 38 HA ALA 38 -4.230 3.711 5.668 289 HB1 ALA 38 1HB ALA 38 -2.720 5.992 4.368 290 HB2 ALA 38 2HB ALA 38 -4.372 6.057 4.980 291 HB3 ALA 38 3HB ALA 38 -3.985 5.039 3.593 292 H VAL 39 H VAL 39 -3.575 2.613 3.563 293 HA VAL 39 HA VAL 39 -0.736 1.954 3.694 294 HB VAL 39 HB VAL 39 -2.222 -0.025 4.018 295 HG11 VAL 39 1HG1 VAL 39 -4.132 0.668 2.719 296 HG12 VAL 39 2HG1 VAL 39 -3.522 -0.918 2.227 297 HG13 VAL 39 3HG1 VAL 39 -3.163 0.490 1.233 298 HG21 VAL 39 3HG2 VAL 39 -1.231 -1.500 2.373 299 HG22 VAL 39 1HG2 VAL 39 -0.032 -0.377 3.013 300 HG23 VAL 39 2HG2 VAL 39 -0.723 -0.107 1.411 301 H VAL 40 H VAL 40 0.519 2.473 1.963 302 HA VAL 40 HA VAL 40 -0.936 3.831 -0.106 303 HB VAL 40 HB VAL 40 1.013 4.937 -0.696 304 HG11 VAL 40 1HG1 VAL 40 1.751 6.067 1.360 305 HG12 VAL 40 2HG1 VAL 40 0.876 4.837 2.280 306 HG13 VAL 40 3HG1 VAL 40 0.005 5.901 1.179 307 HG21 VAL 40 3HG2 VAL 40 2.556 3.054 1.052 308 HG22 VAL 40 1HG2 VAL 40 3.253 4.532 0.338 309 HG23 VAL 40 2HG2 VAL 40 2.622 3.268 -0.709 310 H PHE 41 H PHE 41 -1.141 3.031 -1.983 311 HA PHE 41 HA PHE 41 0.302 0.592 -2.612 312 HB2 PHE 41 2HB PHE 41 -2.211 1.763 -3.756 313 HB3 PHE 41 1HB PHE 41 -1.400 0.413 -4.511 314 HD1 PHE 41 2HD PHE 41 -0.631 -1.292 -2.308 315 HD2 PHE 41 1HD PHE 41 -4.160 1.038 -2.789 316 HE1 PHE 41 2HE PHE 41 -1.832 -2.847 -0.875 317 HE2 PHE 41 1HE PHE 41 -5.378 -0.515 -1.333 318 HZ PHE 41 HZ PHE 41 -4.195 -2.490 -0.379 319 H THR 42 H THR 42 1.954 0.633 -3.900 320 HA THR 42 HA THR 42 2.502 2.963 -5.537 321 HB THR 42 HB THR 42 4.022 0.354 -5.213 322 HG1 THR 42 1HG THR 42 3.755 2.318 -3.527 323 HG21 THR 42 3HG2 THR 42 5.934 1.610 -6.184 324 HG22 THR 42 1HG2 THR 42 4.863 2.982 -6.483 325 HG23 THR 42 2HG2 THR 42 4.595 1.437 -7.310 326 H THR 43 H THR 43 1.088 2.916 -7.210 327 HA THR 43 HA THR 43 0.209 0.516 -8.440 328 HB THR 43 HB THR 43 -0.785 2.064 -10.135 329 HG1 THR 43 1HG THR 43 0.002 4.219 -8.478 330 HG21 THR 43 3HG2 THR 43 -1.247 2.778 -7.232 331 HG22 THR 43 1HG2 THR 43 -2.001 1.438 -8.091 332 HG23 THR 43 2HG2 THR 43 -2.369 3.103 -8.556 333 H LEU 44 H LEU 44 0.433 0.203 -10.937 334 HA LEU 44 HA LEU 44 3.088 -0.203 -11.621 335 HB2 LEU 44 2HB LEU 44 0.645 0.077 -13.360 336 HB3 LEU 44 1HB LEU 44 2.182 -0.585 -13.853 337 HG LEU 44 HG LEU 44 0.327 -1.776 -11.787 338 HD11 LEU 44 1HD1 LEU 44 -0.543 -1.991 -14.040 339 HD12 LEU 44 2HD1 LEU 44 -0.013 -3.556 -13.421 340 HD13 LEU 44 3HD1 LEU 44 0.986 -2.680 -14.580 341 HD21 LEU 44 3HD2 LEU 44 2.655 -2.255 -11.250 342 HD22 LEU 44 1HD2 LEU 44 2.937 -2.821 -12.902 343 HD23 LEU 44 2HD2 LEU 44 1.848 -3.705 -11.835 344 H ARG 45 H ARG 45 0.978 2.446 -11.972 345 HA ARG 45 HA ARG 45 2.284 4.097 -13.829 346 HB2 ARG 45 2HB ARG 45 0.017 4.495 -12.982 347 HB3 ARG 45 1HB ARG 45 0.661 4.814 -11.385 348 HG2 ARG 45 2HG ARG 45 0.050 6.862 -12.502 349 HG3 ARG 45 1HG ARG 45 1.794 6.808 -12.239 350 HD2 ARG 45 2HD ARG 45 2.107 6.115 -14.561 351 HD3 ARG 45 1HD ARG 45 0.363 6.160 -14.819 352 HE ARG 45 HE ARG 45 1.243 8.612 -13.815 353 HH11 ARG 45 1HH1 ARG 45 1.417 6.699 -16.777 354 HH12 ARG 45 2HH1 ARG 45 1.537 8.046 -17.810 355 HH21 ARG 45 1HH2 ARG 45 1.424 10.476 -15.244 356 HH22 ARG 45 2HH2 ARG 45 1.546 10.228 -16.924 357 H GLY 46 H GLY 46 3.002 3.352 -10.479 358 HA2 GLY 46 2HA GLY 46 5.072 3.688 -9.433 359 HA3 GLY 46 1HA GLY 46 5.465 4.937 -10.602 360 H ARG 47 H ARG 47 2.343 5.251 -9.419 361 HA ARG 47 HA ARG 47 3.143 7.512 -7.737 362 HB2 ARG 47 2HB ARG 47 1.487 7.464 -9.859 363 HB3 ARG 47 1HB ARG 47 0.442 6.795 -8.612 364 HG2 ARG 47 2HG ARG 47 1.758 9.415 -8.320 365 HG3 ARG 47 1HG ARG 47 0.213 9.287 -9.148 366 HD2 ARG 47 2HD ARG 47 -0.627 8.180 -6.987 367 HD3 ARG 47 1HD ARG 47 0.869 8.754 -6.243 368 HE ARG 47 HE ARG 47 -0.238 10.908 -7.522 369 HH11 ARG 47 1HH1 ARG 47 -1.055 8.886 -4.724 370 HH12 ARG 47 2HH1 ARG 47 -2.192 10.000 -4.100 371 HH21 ARG 47 1HH2 ARG 47 -1.788 12.441 -6.585 372 HH22 ARG 47 2HH2 ARG 47 -2.600 12.015 -5.154 373 H GLN 48 H GLN 48 2.586 7.392 -5.599 374 HA GLN 48 HA GLN 48 1.400 4.893 -4.662 375 HB2 GLN 48 2HB GLN 48 2.832 7.065 -3.123 376 HB3 GLN 48 1HB GLN 48 2.020 5.721 -2.344 377 HG2 GLN 48 2HG GLN 48 3.514 4.176 -3.606 378 HG3 GLN 48 1HG GLN 48 4.381 5.590 -4.206 379 HE21 GLN 48 1HE2 GLN 48 4.123 7.041 -1.653 380 HE22 GLN 48 2HE2 GLN 48 5.231 6.279 -0.581 381 H LEU 49 H LEU 49 -0.514 4.713 -3.822 382 HA LEU 49 HA LEU 49 -2.035 7.196 -3.419 383 HB2 LEU 49 2HB LEU 49 -3.050 4.653 -4.666 384 HB3 LEU 49 1HB LEU 49 -4.129 5.873 -4.023 385 HG LEU 49 HG LEU 49 -3.104 7.486 -5.673 386 HD11 LEU 49 1HD1 LEU 49 -1.947 4.971 -6.774 387 HD12 LEU 49 2HD1 LEU 49 -1.104 6.342 -6.038 388 HD13 LEU 49 3HD1 LEU 49 -1.939 6.556 -7.589 389 HD21 LEU 49 3HD2 LEU 49 -4.390 6.654 -7.560 390 HD22 LEU 49 1HD2 LEU 49 -5.278 6.472 -6.048 391 HD23 LEU 49 2HD2 LEU 49 -4.500 5.072 -6.799 392 H CYS 50 H CYS 50 -3.510 7.255 -1.906 393 HA CYS 50 HA CYS 50 -2.871 5.661 0.439 394 HB2 CYS 50 2HB CYS 50 -5.010 7.763 0.221 395 HB3 CYS 50 1HB CYS 50 -4.058 7.298 1.627 396 H ALA 51 H ALA 51 -4.089 3.798 0.935 397 HA ALA 51 HA ALA 51 -6.910 3.872 0.172 398 HB1 ALA 51 1HB ALA 51 -6.904 1.559 -0.396 399 HB2 ALA 51 2HB ALA 51 -5.189 1.387 0.035 400 HB3 ALA 51 3HB ALA 51 -5.689 2.399 -1.339 401 HA PRO 52 HA PRO 52 -8.035 3.197 4.280 402 HB2 PRO 52 2HB PRO 52 -10.302 1.768 4.138 403 HB3 PRO 52 1HB PRO 52 -10.186 3.409 3.480 404 HG2 PRO 52 2HG PRO 52 -9.801 0.808 2.061 405 HG3 PRO 52 1HG PRO 52 -10.954 2.047 1.590 406 HD2 PRO 52 2HD PRO 52 -8.621 1.903 0.413 407 HD3 PRO 52 1HD PRO 52 -9.201 3.505 0.898 408 HA PRO 53 HA PRO 53 -6.078 -0.880 5.121 409 HB2 PRO 53 2HB PRO 53 -5.367 -0.274 7.690 410 HB3 PRO 53 1HB PRO 53 -4.410 0.199 6.280 411 HG2 PRO 53 2HG PRO 53 -6.369 1.804 7.869 412 HG3 PRO 53 1HG PRO 53 -4.777 2.281 7.247 413 HD2 PRO 53 2HD PRO 53 -7.066 2.996 6.018 414 HD3 PRO 53 1HD PRO 53 -5.606 2.639 5.090 415 H ASP 54 H ASP 54 -8.616 0.795 6.513 416 HA ASP 54 HA ASP 54 -9.504 -1.059 8.510 417 HB2 ASP 54 2HB ASP 54 -10.011 1.258 8.779 418 HB3 ASP 54 1HB ASP 54 -10.753 1.334 7.186 419 H GLN 55 H GLN 55 -9.992 -0.679 5.092 420 HA GLN 55 HA GLN 55 -12.490 -2.091 5.165 421 HB2 GLN 55 2HB GLN 55 -10.987 -0.812 2.911 422 HB3 GLN 55 1HB GLN 55 -12.466 -1.730 2.683 423 HG2 GLN 55 2HG GLN 55 -12.223 0.683 4.463 424 HG3 GLN 55 1HG GLN 55 -12.839 0.715 2.812 425 HE21 GLN 55 1HE2 GLN 55 -13.504 -0.221 6.133 426 HE22 GLN 55 2HE2 GLN 55 -15.164 -0.571 5.867 427 HA PRO 56 HA PRO 56 -11.120 -6.222 4.520 428 HB2 PRO 56 2HB PRO 56 -13.401 -6.464 2.649 429 HB3 PRO 56 1HB PRO 56 -13.015 -7.415 4.082 430 HG2 PRO 56 2HG PRO 56 -14.991 -5.633 4.116 431 HG3 PRO 56 1HG PRO 56 -13.931 -5.861 5.521 432 HD2 PRO 56 2HD PRO 56 -13.950 -3.670 3.497 433 HD3 PRO 56 1HD PRO 56 -13.647 -3.612 5.244 434 H TRP 57 H TRP 57 -12.118 -4.433 1.612 435 HA TRP 57 HA TRP 57 -10.953 -6.239 -0.208 436 HB2 TRP 57 2HB TRP 57 -11.310 -4.622 -1.938 437 HB3 TRP 57 1HB TRP 57 -12.655 -4.438 -0.832 438 HD1 TRP 57 HD1 TRP 57 -12.697 -2.007 0.620 439 HE1 TRP 57 1HE TRP 57 -11.576 0.181 0.138 440 HE3 TRP 57 3HE TRP 57 -9.300 -3.589 -2.860 441 HZ2 TRP 57 2HZ TRP 57 -9.432 1.179 -1.521 442 HZ3 TRP 57 3HZ TRP 57 -7.777 -1.930 -3.817 443 HH2 TRP 57 HH2 TRP 57 -7.864 0.390 -3.152 444 H VAL 58 H VAL 58 -9.609 -3.716 1.711 445 HA VAL 58 HA VAL 58 -7.188 -3.547 0.207 446 HB VAL 58 HB VAL 58 -8.000 -2.281 2.839 447 HG11 VAL 58 1HG1 VAL 58 -5.388 -1.988 1.357 448 HG12 VAL 58 2HG1 VAL 58 -5.596 -2.784 2.919 449 HG13 VAL 58 3HG1 VAL 58 -5.888 -1.051 2.766 450 HG21 VAL 58 3HG2 VAL 58 -7.355 -1.141 0.121 451 HG22 VAL 58 1HG2 VAL 58 -7.813 -0.206 1.533 452 HG23 VAL 58 2HG2 VAL 58 -8.960 -1.318 0.806 453 H GLU 59 H GLU 59 -8.111 -5.015 3.333 454 HA GLU 59 HA GLU 59 -5.454 -5.894 3.773 455 HB2 GLU 59 2HB GLU 59 -6.292 -7.208 5.649 456 HB3 GLU 59 1HB GLU 59 -7.070 -5.646 5.648 457 HG2 GLU 59 2HG GLU 59 -8.774 -7.117 6.233 458 HG3 GLU 59 1HG GLU 59 -9.037 -6.879 4.509 459 H ARG 60 H ARG 60 -8.058 -7.075 1.930 460 HA ARG 60 HA ARG 60 -7.457 -9.703 1.423 461 HB2 ARG 60 2HB ARG 60 -9.427 -8.243 0.696 462 HB3 ARG 60 1HB ARG 60 -8.384 -7.662 -0.589 463 HG2 ARG 60 2HG ARG 60 -9.560 -9.340 -1.642 464 HG3 ARG 60 1HG ARG 60 -8.067 -10.130 -1.081 465 HD2 ARG 60 2HD ARG 60 -10.013 -11.526 -0.570 466 HD3 ARG 60 1HD ARG 60 -9.220 -10.953 0.902 467 HE ARG 60 HE ARG 60 -11.530 -9.528 -0.201 468 HH11 ARG 60 1HH1 ARG 60 -10.101 -11.304 2.530 469 HH12 ARG 60 2HH1 ARG 60 -11.369 -10.919 3.589 470 HH21 ARG 60 1HH2 ARG 60 -13.255 -9.025 1.282 471 HH22 ARG 60 2HH2 ARG 60 -13.209 -9.616 2.874 472 H ILE 61 H ILE 61 -6.569 -6.782 -0.336 473 HA ILE 61 HA ILE 61 -4.818 -8.165 -2.099 474 HB ILE 61 HB ILE 61 -4.234 -5.857 -2.907 475 HG12 ILE 61 2HG1 ILE 61 -6.497 -5.135 -1.056 476 HG13 ILE 61 1HG1 ILE 61 -4.829 -4.598 -0.934 477 HG21 ILE 61 1HG2 ILE 61 -6.466 -5.661 -4.102 478 HG22 ILE 61 2HG2 ILE 61 -7.115 -6.827 -2.958 479 HG23 ILE 61 3HG2 ILE 61 -5.834 -7.300 -4.061 480 HD11 ILE 61 3HD1 ILE 61 -6.751 -3.940 -3.138 481 HD12 ILE 61 1HD1 ILE 61 -5.094 -3.357 -3.005 482 HD13 ILE 61 2HD1 ILE 61 -6.297 -2.878 -1.805 483 H ILE 62 H ILE 62 -4.311 -6.229 0.750 484 HA ILE 62 HA ILE 62 -1.574 -5.805 0.562 485 HB ILE 62 HB ILE 62 -3.182 -6.398 3.066 486 HG12 ILE 62 2HG1 ILE 62 -2.201 -3.795 1.879 487 HG13 ILE 62 1HG1 ILE 62 -3.859 -4.366 1.896 488 HG21 ILE 62 1HG2 ILE 62 -1.320 -5.444 4.356 489 HG22 ILE 62 2HG2 ILE 62 -0.372 -5.312 2.874 490 HG23 ILE 62 3HG2 ILE 62 -0.836 -6.900 3.480 491 HD11 ILE 62 3HD1 ILE 62 -3.895 -4.236 4.338 492 HD12 ILE 62 1HD1 ILE 62 -3.492 -2.678 3.615 493 HD13 ILE 62 2HD1 ILE 62 -2.225 -3.671 4.330 494 H GLN 63 H GLN 63 -3.165 -8.627 2.069 495 HA GLN 63 HA GLN 63 -0.726 -9.915 2.632 496 HB2 GLN 63 2HB GLN 63 -2.090 -11.978 2.877 497 HB3 GLN 63 1HB GLN 63 -2.559 -10.633 3.936 498 HG2 GLN 63 2HG GLN 63 -4.433 -10.216 2.393 499 HG3 GLN 63 1HG GLN 63 -3.909 -11.602 1.428 500 HE21 GLN 63 1HE2 GLN 63 -4.230 -13.673 2.205 501 HE22 GLN 63 2HE2 GLN 63 -5.248 -13.989 3.562 502 H ARG 64 H ARG 64 -2.864 -10.165 -0.054 503 HA ARG 64 HA ARG 64 -1.596 -12.255 -1.343 504 HB2 ARG 64 2HB ARG 64 -3.196 -9.989 -2.443 505 HB3 ARG 64 1HB ARG 64 -2.599 -11.331 -3.413 506 HG2 ARG 64 2HG ARG 64 -3.829 -12.898 -1.999 507 HG3 ARG 64 1HG ARG 64 -4.438 -11.541 -1.050 508 HD2 ARG 64 2HD ARG 64 -5.430 -10.615 -2.991 509 HD3 ARG 64 1HD ARG 64 -4.883 -11.961 -3.990 510 HE ARG 64 HE ARG 64 -6.430 -12.794 -1.716 511 HH11 ARG 64 1HH1 ARG 64 -6.710 -11.699 -5.088 512 HH12 ARG 64 2HH1 ARG 64 -8.223 -12.425 -5.329 513 HH21 ARG 64 1HH2 ARG 64 -8.484 -13.800 -2.073 514 HH22 ARG 64 2HH2 ARG 64 -9.261 -13.647 -3.567 515 H LEU 65 H LEU 65 -0.949 -8.691 -1.537 516 HA LEU 65 HA LEU 65 1.018 -8.980 -3.510 517 HB2 LEU 65 2HB LEU 65 -0.465 -7.002 -2.679 518 HB3 LEU 65 1HB LEU 65 0.810 -6.776 -1.520 519 HG LEU 65 HG LEU 65 1.153 -6.628 -4.516 520 HD11 LEU 65 1HD1 LEU 65 0.993 -4.479 -2.446 521 HD12 LEU 65 2HD1 LEU 65 -0.260 -5.017 -3.523 522 HD13 LEU 65 3HD1 LEU 65 1.183 -4.240 -4.211 523 HD21 LEU 65 3HD2 LEU 65 3.081 -5.916 -2.280 524 HD22 LEU 65 1HD2 LEU 65 3.335 -5.602 -4.000 525 HD23 LEU 65 2HD2 LEU 65 3.239 -7.254 -3.407 526 H GLN 66 H GLN 66 0.941 -9.060 0.040 527 HA GLN 66 HA GLN 66 3.597 -8.745 0.748 528 HB2 GLN 66 2HB GLN 66 1.651 -10.769 1.843 529 HB3 GLN 66 1HB GLN 66 3.227 -10.483 2.535 530 HG2 GLN 66 2HG GLN 66 2.578 -8.216 3.083 531 HG3 GLN 66 1HG GLN 66 0.985 -8.483 2.354 532 HE21 GLN 66 1HE2 GLN 66 -0.048 -8.125 4.342 533 HE22 GLN 66 2HE2 GLN 66 -0.005 -9.287 5.619 534 H ARG 67 H ARG 67 2.103 -11.540 -0.647 535 HA ARG 67 HA ARG 67 4.233 -13.322 -0.247 536 HB2 ARG 67 2HB ARG 67 2.112 -13.392 -2.388 537 HB3 ARG 67 1HB ARG 67 3.166 -14.727 -1.953 538 HG2 ARG 67 2HG ARG 67 1.110 -13.432 -0.166 539 HG3 ARG 67 1HG ARG 67 0.975 -15.009 -0.948 540 HD2 ARG 67 2HD ARG 67 2.931 -15.783 0.336 541 HD3 ARG 67 1HD ARG 67 3.024 -14.214 1.124 542 HE ARG 67 HE ARG 67 0.458 -15.235 1.470 543 HH11 ARG 67 1HH1 ARG 67 3.755 -15.828 2.571 544 HH12 ARG 67 2HH1 ARG 67 3.305 -16.568 4.034 545 HH21 ARG 67 1HH2 ARG 67 -0.185 -16.226 3.502 546 HH22 ARG 67 2HH2 ARG 67 1.005 -16.781 4.577 547 H THR 68 H THR 68 3.631 -11.040 -2.880 548 HA THR 68 HA THR 68 5.934 -12.133 -4.237 549 HB THR 68 HB THR 68 4.011 -11.429 -5.638 550 HG1 THR 68 1HG THR 68 5.887 -9.630 -6.548 551 HG21 THR 68 3HG2 THR 68 3.290 -9.443 -4.389 552 HG22 THR 68 1HG2 THR 68 3.614 -9.025 -6.075 553 HG23 THR 68 2HG2 THR 68 4.789 -8.624 -4.825 554 H SER 69 H SER 69 5.159 -9.629 -2.148 555 HA SER 69 HA SER 69 7.416 -7.938 -2.661 556 HB2 SER 69 2HB SER 69 5.302 -7.061 -1.719 557 HB3 SER 69 1HB SER 69 5.562 -8.020 -0.265 558 HG SER 69 HG SER 69 6.767 -6.504 0.450 559 H ALA 70 H ALA 70 6.783 -10.700 -0.657 560 HA ALA 70 HA ALA 70 8.992 -10.443 1.108 561 HB1 ALA 70 1HB ALA 70 8.594 -12.806 1.611 562 HB2 ALA 70 2HB ALA 70 7.516 -12.928 0.221 563 HB3 ALA 70 3HB ALA 70 7.081 -11.901 1.588 564 H LYS 71 H LYS 71 8.679 -11.354 -2.173 565 HA LYS 71 HA LYS 71 11.354 -12.460 -2.247 566 HB2 LYS 71 2HB LYS 71 8.998 -12.613 -4.116 567 HB3 LYS 71 1HB LYS 71 10.592 -13.229 -4.494 568 HG2 LYS 71 2HG LYS 71 10.428 -14.797 -2.607 569 HG3 LYS 71 1HG LYS 71 8.821 -14.161 -2.240 570 HD2 LYS 71 2HD LYS 71 8.001 -14.917 -4.380 571 HD3 LYS 71 1HD LYS 71 9.615 -15.457 -4.840 572 HE2 LYS 71 2HE LYS 71 9.591 -17.077 -3.000 573 HE3 LYS 71 1HE LYS 71 7.980 -16.535 -2.541 574 HZ1 LYS 71 3HZ LYS 71 7.138 -17.315 -4.650 575 HZ2 LYS 71 1HZ LYS 71 7.972 -18.584 -3.899 576 HZ3 LYS 71 2HZ LYS 71 8.687 -17.731 -5.152 577 H MET 72 H MET 72 12.328 -11.827 -4.515 578 HA MET 72 HA MET 72 11.631 -9.060 -5.064 579 HB2 MET 72 2HB MET 72 14.034 -8.497 -5.386 580 HB3 MET 72 1HB MET 72 13.626 -8.906 -3.727 581 HG2 MET 72 2HG MET 72 14.603 -11.076 -4.020 582 HG3 MET 72 1HG MET 72 14.968 -10.727 -5.710 583 HE1 MET 72 3HE MET 72 16.939 -8.528 -2.145 584 HE2 MET 72 1HE MET 72 15.711 -9.787 -1.967 585 HE3 MET 72 2HE MET 72 15.282 -8.219 -2.650 586 H LYS 73 H LYS 73 11.940 -8.340 -7.128 587 HA LYS 73 HA LYS 73 11.412 -10.329 -9.105 588 HB2 LYS 73 2HB LYS 73 10.368 -8.066 -9.077 589 HB3 LYS 73 1HB LYS 73 11.935 -7.363 -9.424 590 HG2 LYS 73 2HG LYS 73 11.977 -8.543 -11.571 591 HG3 LYS 73 1HG LYS 73 10.385 -9.216 -11.219 592 HD2 LYS 73 2HD LYS 73 9.470 -6.939 -11.077 593 HD3 LYS 73 1HD LYS 73 11.057 -6.283 -11.481 594 HE2 LYS 73 2HE LYS 73 9.362 -8.075 -13.223 595 HE3 LYS 73 1HE LYS 73 9.637 -6.350 -13.451 596 HZ1 LYS 73 3HZ LYS 73 11.706 -8.481 -13.606 597 HZ2 LYS 73 1HZ LYS 73 11.995 -6.828 -13.777 598 HZ3 LYS 73 2HZ LYS 73 11.041 -7.634 -14.895 599 H ARG 74 H ARG 74 14.140 -8.588 -8.028 600 HA ARG 74 HA ARG 74 15.810 -9.379 -10.281 601 HB2 ARG 74 2HB ARG 74 16.454 -7.862 -7.752 602 HB3 ARG 74 1HB ARG 74 17.569 -8.139 -9.081 603 HG2 ARG 74 2HG ARG 74 16.248 -6.811 -10.548 604 HG3 ARG 74 1HG ARG 74 14.976 -6.644 -9.340 605 HD2 ARG 74 2HD ARG 74 17.805 -5.620 -9.084 606 HD3 ARG 74 1HD ARG 74 16.376 -4.651 -9.456 607 HE ARG 74 HE ARG 74 15.830 -5.994 -7.113 608 HH11 ARG 74 1HH1 ARG 74 18.124 -3.534 -8.190 609 HH12 ARG 74 2HH1 ARG 74 18.287 -2.792 -6.671 610 HH21 ARG 74 1HH2 ARG 74 16.068 -5.002 -4.991 611 HH22 ARG 74 2HH2 ARG 74 17.090 -3.667 -4.795 612 H ARG 75 H ARG 75 16.245 -11.497 -10.208 613 HA ARG 75 HA ARG 75 17.006 -13.515 -9.584 614 HB2 ARG 75 2HB ARG 75 18.354 -12.035 -7.303 615 HB3 ARG 75 1HB ARG 75 18.649 -13.718 -7.711 616 HG2 ARG 75 2HG ARG 75 19.512 -13.033 -9.896 617 HG3 ARG 75 1HG ARG 75 19.204 -11.346 -9.476 618 HD2 ARG 75 2HD ARG 75 20.775 -11.496 -7.636 619 HD3 ARG 75 1HD ARG 75 21.043 -13.205 -7.972 620 HE ARG 75 HE ARG 75 21.561 -11.686 -10.275 621 HH11 ARG 75 1HH1 ARG 75 23.001 -12.292 -7.088 622 HH12 ARG 75 2HH1 ARG 75 24.594 -12.125 -7.636 623 HH21 ARG 75 1HH2 ARG 75 23.728 -11.442 -10.994 624 HH22 ARG 75 2HH2 ARG 75 25.037 -11.618 -9.922 625 H SER 76 H SER 76 15.162 -14.545 -9.200 626 HA SER 76 HA SER 76 13.957 -14.349 -6.541 627 HB2 SER 76 2HB SER 76 12.791 -15.424 -9.111 628 HB3 SER 76 1HB SER 76 11.931 -15.078 -7.610 629 HG SER 76 HG SER 76 12.701 -12.824 -7.950 630 H SER 77 H SER 77 13.614 -16.256 -5.360 631 HA SER 77 HA SER 77 14.411 -18.774 -6.604 632 HB2 SER 77 2HB SER 77 15.125 -17.861 -3.802 633 HB3 SER 77 1HB SER 77 15.523 -19.423 -4.517 634 HG SER 77 HG SER 77 17.073 -18.593 -5.538 Start of MODEL 4 1 H1 GLY 1 1HT GLY 1 1.341 22.988 -5.808 2 H2 GLY 1 2HT GLY 1 2.829 23.308 -6.497 3 H3 GLY 1 3HT GLY 1 1.742 24.584 -6.200 4 HA2 GLY 1 1HA GLY 1 3.505 24.567 -4.580 5 HA3 GLY 1 2HA GLY 1 1.943 24.201 -3.844 6 H THR 2 H THR 2 3.330 23.212 -2.172 7 HA THR 2 HA THR 2 4.472 20.647 -2.958 8 HB THR 2 HB THR 2 4.518 21.958 -0.214 9 HG1 THR 2 1HG THR 2 5.602 23.018 -2.141 10 HG21 THR 2 3HG2 THR 2 6.396 20.429 0.184 11 HG22 THR 2 1HG2 THR 2 6.200 19.764 -1.438 12 HG23 THR 2 2HG2 THR 2 4.931 19.539 -0.236 13 H ASN 3 H ASN 3 2.730 19.315 -3.263 14 HA ASN 3 HA ASN 3 1.089 18.775 -0.922 15 HB2 ASN 3 2HB ASN 3 0.032 19.166 -3.729 16 HB3 ASN 3 1HB ASN 3 -0.894 18.442 -2.420 17 HD21 ASN 3 1HD2 ASN 3 -1.630 19.756 -0.769 18 HD22 ASN 3 2HD2 ASN 3 -1.659 21.475 -0.902 19 H ASP 4 H ASP 4 1.997 16.892 -0.455 20 HA ASP 4 HA ASP 4 1.317 14.676 -2.100 21 HB2 ASP 4 2HB ASP 4 3.544 13.759 -2.399 22 HB3 ASP 4 1HB ASP 4 3.542 15.379 -3.072 23 H ALA 5 H ALA 5 2.355 12.670 -0.885 24 HA ALA 5 HA ALA 5 1.213 12.823 1.722 25 HB1 ALA 5 1HB ALA 5 1.787 10.454 1.914 26 HB2 ALA 5 2HB ALA 5 2.696 10.579 0.420 27 HB3 ALA 5 3HB ALA 5 0.953 10.824 0.384 28 H GLU 6 H GLU 6 4.299 13.243 0.631 29 HA GLU 6 HA GLU 6 6.316 13.478 1.490 30 HB2 GLU 6 2HB GLU 6 4.954 15.041 3.034 31 HB3 GLU 6 1HB GLU 6 5.081 13.733 4.169 32 HG2 GLU 6 2HG GLU 6 7.470 13.737 4.054 33 HG3 GLU 6 1HG GLU 6 7.380 15.028 2.852 34 H ASP 7 H ASP 7 4.677 11.885 3.951 35 HA ASP 7 HA ASP 7 6.433 9.546 3.693 36 HB2 ASP 7 2HB ASP 7 7.412 10.918 5.501 37 HB3 ASP 7 1HB ASP 7 5.878 10.847 6.360 38 H CYS 8 H CYS 8 3.829 10.727 5.610 39 HA CYS 8 HA CYS 8 2.566 8.102 5.228 40 HB2 CYS 8 2HB CYS 8 1.058 8.543 7.122 41 HB3 CYS 8 1HB CYS 8 2.744 8.646 7.596 42 H CYS 9 H CYS 9 0.667 7.788 4.325 43 HA CYS 9 HA CYS 9 0.091 9.664 2.287 44 HB2 CYS 9 2HB CYS 9 -0.354 6.980 2.567 45 HB3 CYS 9 1HB CYS 9 -1.958 7.720 2.761 46 H LEU 10 H LEU 10 -1.221 11.206 2.106 47 HA LEU 10 HA LEU 10 -2.252 12.604 4.207 48 HB2 LEU 10 2HB LEU 10 -3.140 12.799 1.347 49 HB3 LEU 10 1HB LEU 10 -3.363 14.008 2.589 50 HG LEU 10 HG LEU 10 -0.743 13.102 1.435 51 HD11 LEU 10 1HD1 LEU 10 -2.236 15.703 1.173 52 HD12 LEU 10 2HD1 LEU 10 -2.007 14.489 -0.086 53 HD13 LEU 10 3HD1 LEU 10 -0.620 15.376 0.546 54 HD21 LEU 10 3HD2 LEU 10 0.246 14.918 2.793 55 HD22 LEU 10 1HD2 LEU 10 -0.455 13.636 3.774 56 HD23 LEU 10 2HD2 LEU 10 -1.325 15.156 3.569 57 H SER 11 H SER 11 -4.244 10.667 1.865 58 HA SER 11 HA SER 11 -6.187 10.090 3.789 59 HB2 SER 11 2HB SER 11 -8.030 11.575 3.040 60 HB3 SER 11 1HB SER 11 -6.709 12.491 3.763 61 HG SER 11 HG SER 11 -6.331 13.417 1.934 62 H VAL 12 H VAL 12 -7.680 8.692 2.962 63 HA VAL 12 HA VAL 12 -7.088 7.918 0.209 64 HB VAL 12 HB VAL 12 -7.628 5.780 0.712 65 HG11 VAL 12 1HG1 VAL 12 -5.775 6.227 2.058 66 HG12 VAL 12 2HG1 VAL 12 -6.816 5.116 2.938 67 HG13 VAL 12 3HG1 VAL 12 -6.773 6.825 3.384 68 HG21 VAL 12 3HG2 VAL 12 -9.502 6.651 2.939 69 HG22 VAL 12 1HG2 VAL 12 -9.111 4.973 2.489 70 HG23 VAL 12 2HG2 VAL 12 -9.897 6.004 1.320 71 H THR 13 H THR 13 -8.962 7.215 -1.060 72 HA THR 13 HA THR 13 -11.245 8.945 -0.470 73 HB THR 13 HB THR 13 -10.091 9.424 -2.654 74 HG1 THR 13 1HG THR 13 -12.057 10.037 -2.847 75 HG21 THR 13 3HG2 THR 13 -9.351 7.172 -3.200 76 HG22 THR 13 1HG2 THR 13 -10.325 7.831 -4.517 77 HG23 THR 13 2HG2 THR 13 -11.028 6.658 -3.406 78 H GLN 14 H GLN 14 -13.318 7.831 -1.673 79 HA GLN 14 HA GLN 14 -14.274 5.858 -0.056 80 HB2 GLN 14 2HB GLN 14 -15.637 7.096 -1.698 81 HB3 GLN 14 1HB GLN 14 -14.927 6.151 -2.994 82 HG2 GLN 14 2HG GLN 14 -15.917 4.131 -2.083 83 HG3 GLN 14 1HG GLN 14 -16.598 5.070 -0.754 84 HE21 GLN 14 1HE2 GLN 14 -18.698 4.542 -1.288 85 HE22 GLN 14 2HE2 GLN 14 -19.485 5.169 -2.686 86 H LYS 15 H LYS 15 -13.026 5.124 -3.335 87 HA LYS 15 HA LYS 15 -11.538 3.005 -2.150 88 HB2 LYS 15 2HB LYS 15 -13.588 1.845 -2.877 89 HB3 LYS 15 1HB LYS 15 -13.346 2.463 -4.513 90 HG2 LYS 15 2HG LYS 15 -11.255 1.262 -4.695 91 HG3 LYS 15 1HG LYS 15 -11.424 0.682 -3.044 92 HD2 LYS 15 2HD LYS 15 -12.055 -1.048 -4.629 93 HD3 LYS 15 1HD LYS 15 -13.455 -0.530 -3.692 94 HE2 LYS 15 2HE LYS 15 -14.191 0.871 -5.555 95 HE3 LYS 15 1HE LYS 15 -12.765 0.387 -6.478 96 HZ1 LYS 15 3HZ LYS 15 -14.899 -1.427 -5.522 97 HZ2 LYS 15 1HZ LYS 15 -13.573 -1.882 -6.455 98 HZ3 LYS 15 2HZ LYS 15 -14.750 -0.851 -7.096 99 HA PRO 16 HA PRO 16 -8.886 5.689 -4.616 100 HB2 PRO 16 2HB PRO 16 -6.648 4.024 -4.080 101 HB3 PRO 16 1HB PRO 16 -7.129 5.492 -3.243 102 HG2 PRO 16 2HG PRO 16 -7.694 2.650 -2.437 103 HG3 PRO 16 1HG PRO 16 -7.395 4.074 -1.486 104 HD2 PRO 16 2HD PRO 16 -9.755 3.065 -1.709 105 HD3 PRO 16 1HD PRO 16 -9.444 4.806 -1.625 106 H ILE 17 H ILE 17 -7.766 2.287 -5.028 107 HA ILE 17 HA ILE 17 -8.327 2.527 -7.864 108 HB ILE 17 HB ILE 17 -6.104 1.815 -8.554 109 HG12 ILE 17 2HG1 ILE 17 -5.287 0.684 -6.503 110 HG13 ILE 17 1HG1 ILE 17 -4.118 1.831 -7.121 111 HG21 ILE 17 1HG2 ILE 17 -6.059 4.382 -7.068 112 HG22 ILE 17 2HG2 ILE 17 -6.520 4.105 -8.746 113 HG23 ILE 17 3HG2 ILE 17 -4.839 3.880 -8.248 114 HD11 ILE 17 3HD1 ILE 17 -5.926 2.210 -4.744 115 HD12 ILE 17 1HD1 ILE 17 -4.786 3.412 -5.352 116 HD13 ILE 17 2HD1 ILE 17 -4.195 1.879 -4.711 117 HA PRO 18 HA PRO 18 -8.971 -1.911 -7.718 118 HB2 PRO 18 2HB PRO 18 -6.966 -2.019 -9.945 119 HB3 PRO 18 1HB PRO 18 -8.568 -2.761 -9.864 120 HG2 PRO 18 2HG PRO 18 -8.223 -0.613 -11.333 121 HG3 PRO 18 1HG PRO 18 -9.658 -0.753 -10.294 122 HD2 PRO 18 2HD PRO 18 -7.169 0.829 -9.890 123 HD3 PRO 18 1HD PRO 18 -8.851 1.279 -9.551 124 H GLY 19 H GLY 19 -8.002 -3.326 -6.384 125 HA2 GLY 19 2HA GLY 19 -5.396 -2.704 -5.361 126 HA3 GLY 19 1HA GLY 19 -6.486 -3.957 -4.802 127 H TYR 20 H TYR 20 -6.348 -4.600 -7.896 128 HA TYR 20 HA TYR 20 -4.111 -6.402 -7.575 129 HB2 TYR 20 2HB TYR 20 -6.216 -6.308 -9.734 130 HB3 TYR 20 1HB TYR 20 -4.928 -7.494 -9.602 131 HD1 TYR 20 1HD TYR 20 -4.895 -8.497 -6.982 132 HD2 TYR 20 2HD TYR 20 -8.286 -7.155 -9.163 133 HE1 TYR 20 1HE TYR 20 -6.353 -9.905 -5.586 134 HE2 TYR 20 2HE TYR 20 -9.748 -8.549 -7.777 135 HH TYR 20 HH TYR 20 -8.719 -10.017 -4.898 136 H ILE 21 H ILE 21 -4.336 -3.296 -8.633 137 HA ILE 21 HA ILE 21 -2.410 -3.764 -10.827 138 HB ILE 21 HB ILE 21 -2.822 -1.522 -11.661 139 HG12 ILE 21 2HG1 ILE 21 -4.782 -1.163 -9.372 140 HG13 ILE 21 1HG1 ILE 21 -3.194 -0.416 -9.460 141 HG21 ILE 21 1HG2 ILE 21 -5.197 -1.716 -12.293 142 HG22 ILE 21 2HG2 ILE 21 -5.392 -2.975 -11.076 143 HG23 ILE 21 3HG2 ILE 21 -4.316 -3.241 -12.445 144 HD11 ILE 21 3HD1 ILE 21 -5.488 0.068 -11.350 145 HD12 ILE 21 1HD1 ILE 21 -3.890 0.804 -11.468 146 HD13 ILE 21 2HD1 ILE 21 -4.922 1.158 -10.085 147 H VAL 22 H VAL 22 -2.152 -3.551 -7.807 148 HA VAL 22 HA VAL 22 -0.137 -1.468 -7.711 149 HB VAL 22 HB VAL 22 -1.627 -1.155 -5.924 150 HG11 VAL 22 1HG1 VAL 22 -2.782 -3.162 -5.924 151 HG12 VAL 22 2HG1 VAL 22 -2.152 -2.938 -4.285 152 HG13 VAL 22 3HG1 VAL 22 -1.384 -4.086 -5.412 153 HG21 VAL 22 3HG2 VAL 22 0.765 -2.620 -4.841 154 HG22 VAL 22 1HG2 VAL 22 -0.291 -1.549 -3.924 155 HG23 VAL 22 2HG2 VAL 22 0.668 -0.907 -5.254 156 H ARG 23 H ARG 23 1.853 -1.679 -7.391 157 HA ARG 23 HA ARG 23 3.049 -4.282 -8.011 158 HB2 ARG 23 2HB ARG 23 3.471 -1.820 -9.104 159 HB3 ARG 23 1HB ARG 23 4.490 -1.697 -7.731 160 HG2 ARG 23 2HG ARG 23 4.838 -3.832 -9.824 161 HG3 ARG 23 1HG ARG 23 5.741 -2.328 -9.744 162 HD2 ARG 23 2HD ARG 23 6.517 -3.054 -7.463 163 HD3 ARG 23 1HD ARG 23 5.769 -4.615 -7.788 164 HE ARG 23 HE ARG 23 7.610 -3.682 -9.790 165 HH11 ARG 23 1HH1 ARG 23 7.206 -5.701 -6.898 166 HH12 ARG 23 2HH1 ARG 23 8.673 -6.523 -7.113 167 HH21 ARG 23 1HH2 ARG 23 9.620 -4.837 -10.068 168 HH22 ARG 23 2HH2 ARG 23 10.073 -6.025 -8.920 169 H ASN 24 H ASN 24 3.368 -1.537 -5.738 170 HA ASN 24 HA ASN 24 4.620 -3.282 -3.705 171 HB2 ASN 24 2HB ASN 24 5.535 -0.461 -4.362 172 HB3 ASN 24 1HB ASN 24 6.169 -1.482 -3.090 173 HD21 ASN 24 1HD2 ASN 24 7.530 -3.192 -3.660 174 HD22 ASN 24 2HD2 ASN 24 8.318 -3.223 -5.194 175 H PHE 25 H PHE 25 4.191 -2.524 -1.530 176 HA PHE 25 HA PHE 25 2.492 -0.164 -1.384 177 HB2 PHE 25 2HB PHE 25 0.922 -1.199 0.071 178 HB3 PHE 25 1HB PHE 25 0.985 -2.165 -1.364 179 HD1 PHE 25 1HD PHE 25 2.508 -4.271 -1.321 180 HD2 PHE 25 2HD PHE 25 1.207 -2.253 2.192 181 HE1 PHE 25 1HE PHE 25 2.963 -6.279 -0.008 182 HE2 PHE 25 2HE PHE 25 1.667 -4.271 3.523 183 HZ PHE 25 HZ PHE 25 2.547 -6.296 2.422 184 H HIS 26 H HIS 26 2.761 1.005 0.460 185 HA HIS 26 HA HIS 26 4.705 -0.050 2.418 186 HB2 HIS 26 2HB HIS 26 4.313 2.913 1.736 187 HB3 HIS 26 1HB HIS 26 5.386 2.271 2.943 188 HD1 HIS 26 1HD HIS 26 6.793 4.021 1.147 189 HD2 HIS 26 2HD HIS 26 6.155 0.055 0.078 190 HE1 HIS 26 1HE HIS 26 8.455 3.538 -0.635 191 HE2 HIS 26 2HE HIS 26 7.788 1.316 -1.501 192 H TYR 27 H TYR 27 4.002 -0.024 4.523 193 HA TYR 27 HA TYR 27 1.179 0.692 4.819 194 HB2 TYR 27 2HB TYR 27 2.268 -1.650 5.229 195 HB3 TYR 27 1HB TYR 27 2.795 -0.903 6.740 196 HD1 TYR 27 2HD TYR 27 -0.276 -0.915 4.741 197 HD2 TYR 27 1HD TYR 27 1.459 -1.528 8.534 198 HE1 TYR 27 2HE TYR 27 -2.482 -1.438 5.612 199 HE2 TYR 27 1HE TYR 27 -0.761 -2.070 9.477 200 HH TYR 27 HH TYR 27 -3.131 -1.654 8.969 201 H LEU 28 H LEU 28 1.056 2.741 5.499 202 HA LEU 28 HA LEU 28 2.963 3.765 7.483 203 HB2 LEU 28 2HB LEU 28 1.087 5.170 5.584 204 HB3 LEU 28 1HB LEU 28 1.952 6.013 6.836 205 HG LEU 28 HG LEU 28 3.046 6.388 4.754 206 HD11 LEU 28 1HD1 LEU 28 4.645 4.480 6.393 207 HD12 LEU 28 2HD1 LEU 28 4.448 6.225 6.621 208 HD13 LEU 28 3HD1 LEU 28 5.260 5.613 5.180 209 HD21 LEU 28 3HD2 LEU 28 3.977 4.637 3.365 210 HD22 LEU 28 1HD2 LEU 28 2.230 4.449 3.531 211 HD23 LEU 28 2HD2 LEU 28 3.309 3.413 4.454 212 H LEU 29 H LEU 29 2.299 3.839 9.558 213 HA LEU 29 HA LEU 29 -0.529 4.429 10.043 214 HB2 LEU 29 2HB LEU 29 1.202 2.468 11.540 215 HB3 LEU 29 1HB LEU 29 -0.401 2.943 12.027 216 HG LEU 29 HG LEU 29 0.332 1.425 9.547 217 HD11 LEU 29 1HD1 LEU 29 -0.833 -0.440 10.667 218 HD12 LEU 29 2HD1 LEU 29 -1.066 0.575 12.086 219 HD13 LEU 29 3HD1 LEU 29 0.564 0.108 11.592 220 HD21 LEU 29 3HD2 LEU 29 -1.643 2.797 9.145 221 HD22 LEU 29 1HD2 LEU 29 -2.383 2.182 10.625 222 HD23 LEU 29 2HD2 LEU 29 -2.103 1.097 9.265 223 H ILE 30 H ILE 30 -0.838 5.184 12.298 224 HA ILE 30 HA ILE 30 1.143 7.142 13.025 225 HB ILE 30 HB ILE 30 -1.467 6.382 14.428 226 HG12 ILE 30 2HG1 ILE 30 -0.778 8.670 12.576 227 HG13 ILE 30 1HG1 ILE 30 -1.853 7.324 12.226 228 HG21 ILE 30 1HG2 ILE 30 0.102 7.399 16.014 229 HG22 ILE 30 2HG2 ILE 30 -1.244 8.488 15.677 230 HG23 ILE 30 3HG2 ILE 30 0.325 8.765 14.923 231 HD11 ILE 30 3HD1 ILE 30 -3.061 9.386 12.717 232 HD12 ILE 30 1HD1 ILE 30 -2.300 9.460 14.290 233 HD13 ILE 30 2HD1 ILE 30 -3.418 8.139 13.931 234 H LYS 31 H LYS 31 0.379 3.939 13.727 235 HA LYS 31 HA LYS 31 1.637 3.537 16.206 236 HB2 LYS 31 2HB LYS 31 1.540 1.656 13.836 237 HB3 LYS 31 1HB LYS 31 1.997 1.201 15.465 238 HG2 LYS 31 2HG LYS 31 -0.264 1.794 16.248 239 HG3 LYS 31 1HG LYS 31 -0.708 2.195 14.590 240 HD2 LYS 31 2HD LYS 31 -0.220 -0.117 13.904 241 HD3 LYS 31 1HD LYS 31 0.237 -0.491 15.564 242 HE2 LYS 31 2HE LYS 31 -2.008 -0.012 16.327 243 HE3 LYS 31 1HE LYS 31 -2.491 0.447 14.695 244 HZ1 LYS 31 3HZ LYS 31 -2.059 -1.839 13.989 245 HZ2 LYS 31 1HZ LYS 31 -3.174 -1.798 15.246 246 HZ3 LYS 31 2HZ LYS 31 -1.601 -2.258 15.553 247 H ASP 32 H ASP 32 2.889 3.921 12.962 248 HA ASP 32 HA ASP 32 5.621 3.372 13.656 249 HB2 ASP 32 2HB ASP 32 4.505 4.918 11.291 250 HB3 ASP 32 1HB ASP 32 6.154 4.340 11.458 251 H GLY 33 H GLY 33 3.777 6.269 12.822 252 HA2 GLY 33 2HA GLY 33 4.041 7.978 14.727 253 HA3 GLY 33 1HA GLY 33 5.743 7.871 14.304 254 H CYS 34 H CYS 34 2.577 9.003 13.283 255 HA CYS 34 HA CYS 34 3.649 11.181 11.905 256 HB2 CYS 34 2HB CYS 34 4.098 9.279 10.264 257 HB3 CYS 34 1HB CYS 34 2.354 9.139 10.076 258 H ARG 35 H ARG 35 1.602 11.942 10.356 259 HA ARG 35 HA ARG 35 -0.422 12.492 12.353 260 HB2 ARG 35 2HB ARG 35 0.646 14.210 10.838 261 HB3 ARG 35 1HB ARG 35 -0.174 13.460 9.499 262 HG2 ARG 35 2HG ARG 35 -1.593 14.759 11.831 263 HG3 ARG 35 1HG ARG 35 -1.188 15.601 10.347 264 HD2 ARG 35 2HD ARG 35 -2.621 13.958 9.120 265 HD3 ARG 35 1HD ARG 35 -3.070 13.257 10.676 266 HE ARG 35 HE ARG 35 -3.508 16.096 10.445 267 HH11 ARG 35 1HH1 ARG 35 -5.026 12.889 10.135 268 HH12 ARG 35 2HH1 ARG 35 -6.606 13.522 10.160 269 HH21 ARG 35 1HH2 ARG 35 -5.693 16.890 10.486 270 HH22 ARG 35 2HH2 ARG 35 -7.002 15.796 10.338 271 H VAL 36 H VAL 36 -0.338 10.779 9.231 272 HA VAL 36 HA VAL 36 -3.047 9.958 9.873 273 HB VAL 36 HB VAL 36 -3.409 11.731 8.365 274 HG11 VAL 36 1HG1 VAL 36 -2.361 11.909 6.164 275 HG12 VAL 36 2HG1 VAL 36 -1.369 10.498 6.531 276 HG13 VAL 36 3HG1 VAL 36 -1.181 11.975 7.475 277 HG21 VAL 36 3HG2 VAL 36 -4.408 10.648 6.375 278 HG22 VAL 36 1HG2 VAL 36 -4.822 9.798 7.870 279 HG23 VAL 36 2HG2 VAL 36 -3.575 9.159 6.791 280 HA PRO 37 HA PRO 37 -1.461 5.970 8.675 281 HB2 PRO 37 2HB PRO 37 -3.475 4.505 9.626 282 HB3 PRO 37 1HB PRO 37 -2.353 5.327 10.713 283 HG2 PRO 37 2HG PRO 37 -5.150 6.031 9.997 284 HG3 PRO 37 1HG PRO 37 -4.278 6.283 11.519 285 HD2 PRO 37 2HD PRO 37 -4.726 8.198 9.496 286 HD3 PRO 37 1HD PRO 37 -3.624 8.342 10.881 287 H ALA 38 H ALA 38 -1.573 4.926 6.805 288 HA ALA 38 HA ALA 38 -3.887 4.071 5.470 289 HB1 ALA 38 1HB ALA 38 -2.509 6.473 4.264 290 HB2 ALA 38 2HB ALA 38 -4.155 6.447 4.892 291 HB3 ALA 38 3HB ALA 38 -3.744 5.497 3.459 292 H VAL 39 H VAL 39 -3.284 2.805 3.612 293 HA VAL 39 HA VAL 39 -0.414 2.284 3.563 294 HB VAL 39 HB VAL 39 -1.842 0.288 3.967 295 HG11 VAL 39 1HG1 VAL 39 -3.861 0.927 2.803 296 HG12 VAL 39 2HG1 VAL 39 -3.260 -0.630 2.216 297 HG13 VAL 39 3HG1 VAL 39 -3.007 0.822 1.254 298 HG21 VAL 39 3HG2 VAL 39 -0.937 -1.190 2.235 299 HG22 VAL 39 1HG2 VAL 39 0.278 -0.054 2.822 300 HG23 VAL 39 2HG2 VAL 39 -0.507 0.218 1.266 301 H VAL 40 H VAL 40 0.783 2.763 1.754 302 HA VAL 40 HA VAL 40 -0.750 4.090 -0.269 303 HB VAL 40 HB VAL 40 1.155 5.119 -1.030 304 HG11 VAL 40 1HG1 VAL 40 2.170 6.247 0.920 305 HG12 VAL 40 2HG1 VAL 40 1.287 5.119 1.942 306 HG13 VAL 40 3HG1 VAL 40 0.413 6.209 0.862 307 HG21 VAL 40 3HG2 VAL 40 2.843 3.224 0.564 308 HG22 VAL 40 1HG2 VAL 40 3.507 4.677 -0.224 309 HG23 VAL 40 2HG2 VAL 40 2.727 3.409 -1.183 310 H PHE 41 H PHE 41 -1.222 3.169 -1.990 311 HA PHE 41 HA PHE 41 0.132 0.713 -2.701 312 HB2 PHE 41 2HB PHE 41 -2.458 1.906 -3.530 313 HB3 PHE 41 1HB PHE 41 -1.740 0.655 -4.516 314 HD1 PHE 41 2HD PHE 41 -0.596 -0.986 -2.150 315 HD2 PHE 41 1HD PHE 41 -4.401 0.794 -2.845 316 HE1 PHE 41 2HE PHE 41 -1.626 -2.677 -0.745 317 HE2 PHE 41 1HE PHE 41 -5.440 -0.900 -1.429 318 HZ PHE 41 HZ PHE 41 -4.033 -2.673 -0.386 319 H THR 42 H THR 42 1.734 0.774 -3.931 320 HA THR 42 HA THR 42 2.151 2.964 -5.782 321 HB THR 42 HB THR 42 3.757 0.470 -5.188 322 HG1 THR 42 1HG THR 42 3.429 2.667 -3.872 323 HG21 THR 42 3HG2 THR 42 5.606 1.599 -6.396 324 HG22 THR 42 1HG2 THR 42 4.495 2.889 -6.872 325 HG23 THR 42 2HG2 THR 42 4.248 1.225 -7.448 326 H THR 43 H THR 43 0.896 2.839 -7.525 327 HA THR 43 HA THR 43 -0.115 0.411 -8.567 328 HB THR 43 HB THR 43 -0.994 1.871 -10.381 329 HG1 THR 43 1HG THR 43 -0.653 4.203 -9.868 330 HG21 THR 43 3HG2 THR 43 -1.358 2.954 -7.581 331 HG22 THR 43 1HG2 THR 43 -2.209 1.568 -8.247 332 HG23 THR 43 2HG2 THR 43 -2.479 3.184 -8.926 333 H LEU 44 H LEU 44 0.084 0.162 -11.159 334 HA LEU 44 HA LEU 44 2.703 -0.628 -11.675 335 HB2 LEU 44 2HB LEU 44 0.407 -0.151 -13.553 336 HB3 LEU 44 1HB LEU 44 1.861 -1.040 -13.906 337 HG LEU 44 HG LEU 44 -0.316 -1.810 -11.970 338 HD11 LEU 44 1HD1 LEU 44 -0.912 -2.185 -14.263 339 HD12 LEU 44 2HD1 LEU 44 -0.649 -3.722 -13.438 340 HD13 LEU 44 3HD1 LEU 44 0.579 -3.085 -14.534 341 HD21 LEU 44 3HD2 LEU 44 1.816 -2.490 -11.020 342 HD22 LEU 44 1HD2 LEU 44 2.277 -3.240 -12.549 343 HD23 LEU 44 2HD2 LEU 44 0.942 -3.899 -11.613 344 H ARG 45 H ARG 45 0.940 2.213 -12.172 345 HA ARG 45 HA ARG 45 2.650 3.564 -14.020 346 HB2 ARG 45 2HB ARG 45 0.302 4.195 -13.622 347 HB3 ARG 45 1HB ARG 45 0.711 4.680 -11.993 348 HG2 ARG 45 2HG ARG 45 0.454 6.606 -13.450 349 HG3 ARG 45 1HG ARG 45 2.114 6.488 -12.875 350 HD2 ARG 45 2HD ARG 45 1.196 5.439 -15.544 351 HD3 ARG 45 1HD ARG 45 1.820 7.071 -15.331 352 HE ARG 45 HE ARG 45 3.833 5.756 -14.360 353 HH11 ARG 45 1HH1 ARG 45 1.882 4.758 -17.141 354 HH12 ARG 45 2HH1 ARG 45 3.178 4.047 -17.973 355 HH21 ARG 45 1HH2 ARG 45 5.608 4.806 -15.500 356 HH22 ARG 45 2HH2 ARG 45 5.360 4.089 -17.031 357 H GLY 46 H GLY 46 2.951 2.815 -10.704 358 HA2 GLY 46 2HA GLY 46 4.877 3.133 -9.420 359 HA3 GLY 46 1HA GLY 46 5.402 4.368 -10.558 360 H ARG 47 H ARG 47 2.181 4.614 -9.560 361 HA ARG 47 HA ARG 47 2.910 6.899 -7.931 362 HB2 ARG 47 2HB ARG 47 0.411 6.207 -9.415 363 HB3 ARG 47 1HB ARG 47 0.405 7.446 -8.176 364 HG2 ARG 47 2HG ARG 47 2.117 7.406 -10.652 365 HG3 ARG 47 1HG ARG 47 0.681 8.421 -10.410 366 HD2 ARG 47 2HD ARG 47 1.826 9.468 -8.466 367 HD3 ARG 47 1HD ARG 47 3.245 8.497 -8.811 368 HE ARG 47 HE ARG 47 2.317 10.167 -10.947 369 HH11 ARG 47 1HH1 ARG 47 4.506 9.741 -8.209 370 HH12 ARG 47 2HH1 ARG 47 5.557 11.009 -8.643 371 HH21 ARG 47 1HH2 ARG 47 3.752 11.938 -11.552 372 HH22 ARG 47 2HH2 ARG 47 5.123 12.282 -10.605 373 H GLN 48 H GLN 48 2.414 7.161 -5.960 374 HA GLN 48 HA GLN 48 1.447 4.816 -4.504 375 HB2 GLN 48 2HB GLN 48 2.826 7.321 -3.530 376 HB3 GLN 48 1HB GLN 48 2.433 5.918 -2.546 377 HG2 GLN 48 2HG GLN 48 3.964 4.558 -3.853 378 HG3 GLN 48 1HG GLN 48 4.323 5.937 -4.888 379 HE21 GLN 48 1HE2 GLN 48 6.111 4.342 -3.217 380 HE22 GLN 48 2HE2 GLN 48 6.846 5.473 -2.142 381 H LEU 49 H LEU 49 -0.619 4.831 -4.017 382 HA LEU 49 HA LEU 49 -1.920 7.411 -3.442 383 HB2 LEU 49 2HB LEU 49 -3.084 5.030 -4.848 384 HB3 LEU 49 1HB LEU 49 -4.118 6.203 -4.070 385 HG LEU 49 HG LEU 49 -3.141 7.965 -5.556 386 HD11 LEU 49 1HD1 LEU 49 -1.094 6.910 -6.006 387 HD12 LEU 49 2HD1 LEU 49 -1.918 7.325 -7.524 388 HD13 LEU 49 3HD1 LEU 49 -1.885 5.641 -6.945 389 HD21 LEU 49 3HD2 LEU 49 -4.432 5.651 -6.962 390 HD22 LEU 49 1HD2 LEU 49 -4.364 7.313 -7.548 391 HD23 LEU 49 2HD2 LEU 49 -5.276 6.932 -6.085 392 H CYS 50 H CYS 50 -3.440 7.561 -1.852 393 HA CYS 50 HA CYS 50 -2.860 5.957 0.424 394 HB2 CYS 50 2HB CYS 50 -5.020 8.004 -0.001 395 HB3 CYS 50 1HB CYS 50 -4.335 7.472 1.528 396 H ALA 51 H ALA 51 -3.885 4.009 0.848 397 HA ALA 51 HA ALA 51 -6.718 3.884 0.165 398 HB1 ALA 51 1HB ALA 51 -6.560 1.581 -0.461 399 HB2 ALA 51 2HB ALA 51 -4.830 1.514 -0.050 400 HB3 ALA 51 3HB ALA 51 -5.433 2.520 -1.389 401 HA PRO 52 HA PRO 52 -7.645 3.154 4.292 402 HB2 PRO 52 2HB PRO 52 -9.875 1.690 4.195 403 HB3 PRO 52 1HB PRO 52 -9.831 3.336 3.554 404 HG2 PRO 52 2HG PRO 52 -9.535 0.731 2.110 405 HG3 PRO 52 1HG PRO 52 -10.607 2.061 1.680 406 HD2 PRO 52 2HD PRO 52 -8.259 1.687 0.504 407 HD3 PRO 52 1HD PRO 52 -8.848 3.330 0.810 408 HA PRO 53 HA PRO 53 -5.563 -0.823 5.119 409 HB2 PRO 53 2HB PRO 53 -5.328 0.275 7.836 410 HB3 PRO 53 1HB PRO 53 -4.059 -0.252 6.733 411 HG2 PRO 53 2HG PRO 53 -4.443 2.342 7.292 412 HG3 PRO 53 1HG PRO 53 -3.930 1.797 5.685 413 HD2 PRO 53 2HD PRO 53 -6.644 2.633 6.629 414 HD3 PRO 53 1HD PRO 53 -5.807 3.012 5.106 415 H ASP 54 H ASP 54 -8.295 0.609 6.683 416 HA ASP 54 HA ASP 54 -8.723 -1.684 8.400 417 HB2 ASP 54 2HB ASP 54 -10.355 0.823 8.064 418 HB3 ASP 54 1HB ASP 54 -10.745 -0.461 9.194 419 H GLN 55 H GLN 55 -9.736 -0.729 5.274 420 HA GLN 55 HA GLN 55 -12.116 -2.307 5.471 421 HB2 GLN 55 2HB GLN 55 -11.102 -0.531 3.292 422 HB3 GLN 55 1HB GLN 55 -12.319 -1.743 2.916 423 HG2 GLN 55 2HG GLN 55 -13.421 0.353 3.373 424 HG3 GLN 55 1HG GLN 55 -13.760 -0.800 4.658 425 HE21 GLN 55 1HE2 GLN 55 -12.253 2.155 3.812 426 HE22 GLN 55 2HE2 GLN 55 -11.891 2.685 5.412 427 HA PRO 56 HA PRO 56 -10.908 -6.311 4.473 428 HB2 PRO 56 2HB PRO 56 -13.020 -6.957 2.759 429 HB3 PRO 56 1HB PRO 56 -12.992 -7.123 4.513 430 HG2 PRO 56 2HG PRO 56 -14.119 -4.936 2.837 431 HG3 PRO 56 1HG PRO 56 -14.758 -5.640 4.331 432 HD2 PRO 56 2HD PRO 56 -13.562 -3.280 4.358 433 HD3 PRO 56 1HD PRO 56 -13.276 -4.444 5.670 434 H TRP 57 H TRP 57 -11.966 -4.425 1.680 435 HA TRP 57 HA TRP 57 -10.901 -6.157 -0.264 436 HB2 TRP 57 2HB TRP 57 -11.171 -4.449 -1.926 437 HB3 TRP 57 1HB TRP 57 -12.507 -4.262 -0.809 438 HD1 TRP 57 HD1 TRP 57 -12.372 -1.946 0.796 439 HE1 TRP 57 1HE TRP 57 -11.197 0.280 0.334 440 HE3 TRP 57 3HE TRP 57 -9.232 -3.410 -2.973 441 HZ2 TRP 57 2HZ TRP 57 -9.209 1.292 -1.374 442 HZ3 TRP 57 3HZ TRP 57 -7.726 -1.724 -3.955 443 HH2 TRP 57 HH2 TRP 57 -7.722 0.560 -3.174 444 H VAL 58 H VAL 58 -9.355 -3.711 1.642 445 HA VAL 58 HA VAL 58 -6.959 -3.677 0.103 446 HB VAL 58 HB VAL 58 -7.638 -2.460 2.798 447 HG11 VAL 58 1HG1 VAL 58 -5.089 -2.155 1.212 448 HG12 VAL 58 2HG1 VAL 58 -5.243 -3.019 2.743 449 HG13 VAL 58 3HG1 VAL 58 -5.507 -1.276 2.683 450 HG21 VAL 58 3HG2 VAL 58 -7.113 -1.253 0.088 451 HG22 VAL 58 1HG2 VAL 58 -7.467 -0.358 1.558 452 HG23 VAL 58 2HG2 VAL 58 -8.682 -1.423 0.860 453 H GLU 59 H GLU 59 -7.969 -5.221 3.126 454 HA GLU 59 HA GLU 59 -5.363 -6.182 3.572 455 HB2 GLU 59 2HB GLU 59 -6.343 -7.578 5.398 456 HB3 GLU 59 1HB GLU 59 -6.744 -5.879 5.503 457 HG2 GLU 59 2HG GLU 59 -8.757 -6.834 6.035 458 HG3 GLU 59 1HG GLU 59 -8.925 -6.650 4.290 459 H ARG 60 H ARG 60 -7.906 -7.368 1.694 460 HA ARG 60 HA ARG 60 -6.897 -9.997 1.233 461 HB2 ARG 60 2HB ARG 60 -8.806 -8.260 -0.299 462 HB3 ARG 60 1HB ARG 60 -8.290 -9.825 -0.905 463 HG2 ARG 60 2HG ARG 60 -9.605 -9.377 1.750 464 HG3 ARG 60 1HG ARG 60 -10.456 -9.873 0.279 465 HD2 ARG 60 2HD ARG 60 -9.027 -11.861 0.142 466 HD3 ARG 60 1HD ARG 60 -8.196 -11.378 1.609 467 HE ARG 60 HE ARG 60 -10.968 -11.577 2.028 468 HH11 ARG 60 1HH1 ARG 60 -8.011 -13.509 1.679 469 HH12 ARG 60 2HH1 ARG 60 -8.627 -14.876 2.493 470 HH21 ARG 60 1HH2 ARG 60 -11.808 -13.470 3.178 471 HH22 ARG 60 2HH2 ARG 60 -10.831 -14.849 3.357 472 H ILE 61 H ILE 61 -6.272 -6.939 -0.283 473 HA ILE 61 HA ILE 61 -4.689 -8.258 -2.287 474 HB ILE 61 HB ILE 61 -4.243 -5.888 -3.136 475 HG12 ILE 61 2HG1 ILE 61 -6.269 -5.299 -0.990 476 HG13 ILE 61 1HG1 ILE 61 -4.617 -4.708 -1.058 477 HG21 ILE 61 1HG2 ILE 61 -6.526 -5.712 -4.065 478 HG22 ILE 61 2HG2 ILE 61 -7.072 -6.889 -2.875 479 HG23 ILE 61 3HG2 ILE 61 -5.912 -7.361 -4.110 480 HD11 ILE 61 3HD1 ILE 61 -6.877 -4.026 -2.897 481 HD12 ILE 61 1HD1 ILE 61 -5.206 -3.478 -3.107 482 HD13 ILE 61 2HD1 ILE 61 -6.125 -2.993 -1.685 483 H ILE 62 H ILE 62 -4.149 -6.362 0.555 484 HA ILE 62 HA ILE 62 -1.381 -6.137 0.459 485 HB ILE 62 HB ILE 62 -3.115 -6.593 2.905 486 HG12 ILE 62 2HG1 ILE 62 -1.890 -4.082 1.740 487 HG13 ILE 62 1HG1 ILE 62 -3.590 -4.515 1.729 488 HG21 ILE 62 1HG2 ILE 62 -1.229 -5.768 4.252 489 HG22 ILE 62 2HG2 ILE 62 -0.214 -5.770 2.812 490 HG23 ILE 62 3HG2 ILE 62 -0.850 -7.291 3.442 491 HD11 ILE 62 3HD1 ILE 62 -3.661 -4.359 4.165 492 HD12 ILE 62 1HD1 ILE 62 -3.113 -2.846 3.444 493 HD13 ILE 62 2HD1 ILE 62 -1.951 -3.940 4.192 494 H GLN 63 H GLN 63 -3.279 -8.899 1.739 495 HA GLN 63 HA GLN 63 -1.069 -10.414 2.567 496 HB2 GLN 63 2HB GLN 63 -2.498 -12.385 2.457 497 HB3 GLN 63 1HB GLN 63 -3.301 -11.045 3.291 498 HG2 GLN 63 2HG GLN 63 -4.611 -10.641 1.261 499 HG3 GLN 63 1HG GLN 63 -3.775 -11.965 0.463 500 HE21 GLN 63 1HE2 GLN 63 -3.788 -13.611 2.927 501 HE22 GLN 63 2HE2 GLN 63 -5.398 -14.174 3.067 502 H ARG 64 H ARG 64 -2.692 -10.289 -0.445 503 HA ARG 64 HA ARG 64 -1.277 -12.258 -1.852 504 HB2 ARG 64 2HB ARG 64 -3.293 -11.341 -2.795 505 HB3 ARG 64 1HB ARG 64 -2.599 -9.728 -2.828 506 HG2 ARG 64 2HG ARG 64 -1.028 -10.399 -4.527 507 HG3 ARG 64 1HG ARG 64 -1.628 -12.058 -4.468 508 HD2 ARG 64 2HD ARG 64 -3.783 -11.357 -5.252 509 HD3 ARG 64 1HD ARG 64 -3.309 -9.660 -5.191 510 HE ARG 64 HE ARG 64 -1.517 -10.515 -6.877 511 HH11 ARG 64 1HH1 ARG 64 -4.902 -11.599 -6.796 512 HH12 ARG 64 2HH1 ARG 64 -5.028 -11.716 -8.488 513 HH21 ARG 64 1HH2 ARG 64 -1.711 -10.681 -9.144 514 HH22 ARG 64 2HH2 ARG 64 -3.155 -11.198 -9.881 515 H LEU 65 H LEU 65 -0.661 -8.716 -1.670 516 HA LEU 65 HA LEU 65 1.727 -8.921 -3.108 517 HB2 LEU 65 2HB LEU 65 0.756 -6.773 -1.249 518 HB3 LEU 65 1HB LEU 65 2.213 -6.642 -2.210 519 HG LEU 65 HG LEU 65 -0.605 -6.867 -3.266 520 HD11 LEU 65 1HD1 LEU 65 -0.143 -4.720 -2.309 521 HD12 LEU 65 2HD1 LEU 65 -0.133 -4.560 -4.080 522 HD13 LEU 65 3HD1 LEU 65 1.371 -4.604 -3.192 523 HD21 LEU 65 3HD2 LEU 65 2.016 -6.573 -4.741 524 HD22 LEU 65 1HD2 LEU 65 0.417 -6.455 -5.461 525 HD23 LEU 65 2HD2 LEU 65 0.957 -7.987 -4.775 526 H GLN 66 H GLN 66 1.026 -9.410 0.261 527 HA GLN 66 HA GLN 66 3.662 -9.206 1.205 528 HB2 GLN 66 2HB GLN 66 1.364 -10.840 2.227 529 HB3 GLN 66 1HB GLN 66 2.917 -10.774 3.054 530 HG2 GLN 66 2HG GLN 66 2.634 -8.359 3.247 531 HG3 GLN 66 1HG GLN 66 1.042 -8.492 2.507 532 HE21 GLN 66 1HE2 GLN 66 2.933 -9.163 5.342 533 HE22 GLN 66 2HE2 GLN 66 1.611 -9.537 6.378 534 H ARG 67 H ARG 67 2.219 -11.552 -0.732 535 HA ARG 67 HA ARG 67 4.132 -13.634 -0.137 536 HB2 ARG 67 2HB ARG 67 2.305 -13.374 -2.520 537 HB3 ARG 67 1HB ARG 67 3.198 -14.821 -2.068 538 HG2 ARG 67 2HG ARG 67 1.970 -14.859 0.038 539 HG3 ARG 67 1HG ARG 67 1.000 -13.503 -0.510 540 HD2 ARG 67 2HD ARG 67 1.157 -16.227 -1.817 541 HD3 ARG 67 1HD ARG 67 -0.212 -15.581 -0.915 542 HE ARG 67 HE ARG 67 0.609 -13.988 -3.172 543 HH11 ARG 67 1HH1 ARG 67 -1.500 -16.656 -2.144 544 HH12 ARG 67 2HH1 ARG 67 -2.573 -16.454 -3.446 545 HH21 ARG 67 1HH2 ARG 67 -0.842 -13.776 -4.945 546 HH22 ARG 67 2HH2 ARG 67 -2.203 -14.785 -5.089 547 H THR 68 H THR 68 3.838 -11.051 -2.427 548 HA THR 68 HA THR 68 6.207 -11.969 -3.792 549 HB THR 68 HB THR 68 4.495 -10.993 -5.246 550 HG1 THR 68 1HG THR 68 6.060 -8.992 -5.841 551 HG21 THR 68 3HG2 THR 68 4.991 -8.384 -3.815 552 HG22 THR 68 1HG2 THR 68 3.558 -9.387 -3.665 553 HG23 THR 68 2HG2 THR 68 3.928 -8.616 -5.208 554 H SER 69 H SER 69 5.454 -9.849 -1.280 555 HA SER 69 HA SER 69 8.032 -8.531 -1.321 556 HB2 SER 69 2HB SER 69 7.287 -7.493 0.816 557 HB3 SER 69 1HB SER 69 6.092 -7.324 -0.471 558 HG SER 69 HG SER 69 6.011 -8.892 1.840 559 H ALA 70 H ALA 70 6.640 -11.362 -0.111 560 HA ALA 70 HA ALA 70 8.384 -12.015 2.015 561 HB1 ALA 70 1HB ALA 70 7.716 -14.354 1.588 562 HB2 ALA 70 2HB ALA 70 6.980 -13.852 0.069 563 HB3 ALA 70 3HB ALA 70 6.322 -13.269 1.597 564 H LYS 71 H LYS 71 8.545 -12.363 -1.457 565 HA LYS 71 HA LYS 71 10.979 -13.759 -1.605 566 HB2 LYS 71 2HB LYS 71 9.710 -11.810 -3.534 567 HB3 LYS 71 1HB LYS 71 10.954 -12.997 -3.915 568 HG2 LYS 71 2HG LYS 71 9.387 -14.814 -3.421 569 HG3 LYS 71 1HG LYS 71 8.143 -13.636 -3.018 570 HD2 LYS 71 2HD LYS 71 7.801 -14.524 -5.250 571 HD3 LYS 71 1HD LYS 71 8.218 -12.815 -5.330 572 HE2 LYS 71 2HE LYS 71 10.498 -13.356 -5.941 573 HE3 LYS 71 1HE LYS 71 10.176 -15.078 -5.749 574 HZ1 LYS 71 3HZ LYS 71 8.926 -13.279 -7.752 575 HZ2 LYS 71 1HZ LYS 71 8.589 -14.931 -7.570 576 HZ3 LYS 71 2HZ LYS 71 10.124 -14.416 -8.049 577 H MET 72 H MET 72 12.892 -12.978 -1.075 578 HA MET 72 HA MET 72 13.091 -10.492 0.161 579 HB2 MET 72 2HB MET 72 14.471 -12.385 0.804 580 HB3 MET 72 1HB MET 72 15.309 -12.299 -0.738 581 HG2 MET 72 2HG MET 72 16.585 -11.322 1.098 582 HG3 MET 72 1HG MET 72 16.234 -10.173 -0.189 583 HE1 MET 72 3HE MET 72 15.109 -11.419 3.396 584 HE2 MET 72 1HE MET 72 13.595 -11.374 2.496 585 HE3 MET 72 2HE MET 72 13.875 -10.222 3.798 586 H LYS 73 H LYS 73 12.835 -8.718 -0.814 587 HA LYS 73 HA LYS 73 13.920 -8.271 -3.424 588 HB2 LYS 73 2HB LYS 73 11.620 -7.459 -2.745 589 HB3 LYS 73 1HB LYS 73 12.400 -6.308 -1.680 590 HG2 LYS 73 2HG LYS 73 12.769 -6.355 -4.688 591 HG3 LYS 73 1HG LYS 73 11.582 -5.361 -3.863 592 HD2 LYS 73 2HD LYS 73 13.426 -4.190 -2.691 593 HD3 LYS 73 1HD LYS 73 14.586 -5.207 -3.547 594 HE2 LYS 73 2HE LYS 73 13.820 -4.308 -5.680 595 HE3 LYS 73 1HE LYS 73 12.614 -3.339 -4.841 596 HZ1 LYS 73 3HZ LYS 73 14.419 -2.140 -3.748 597 HZ2 LYS 73 1HZ LYS 73 14.520 -2.015 -5.417 598 HZ3 LYS 73 2HZ LYS 73 15.558 -3.043 -4.592 599 H ARG 74 H ARG 74 15.985 -8.489 -2.951 600 HA ARG 74 HA ARG 74 17.275 -5.996 -2.090 601 HB2 ARG 74 2HB ARG 74 18.241 -8.833 -1.667 602 HB3 ARG 74 1HB ARG 74 19.248 -7.416 -1.415 603 HG2 ARG 74 2HG ARG 74 17.728 -6.661 0.340 604 HG3 ARG 74 1HG ARG 74 16.731 -8.095 0.097 605 HD2 ARG 74 2HD ARG 74 18.233 -8.372 1.999 606 HD3 ARG 74 1HD ARG 74 18.627 -9.508 0.708 607 HE ARG 74 HE ARG 74 20.152 -7.199 0.385 608 HH11 ARG 74 1HH1 ARG 74 19.888 -9.943 2.627 609 HH12 ARG 74 2HH1 ARG 74 21.547 -9.883 3.058 610 HH21 ARG 74 1HH2 ARG 74 22.429 -7.159 1.020 611 HH22 ARG 74 2HH2 ARG 74 22.969 -8.316 2.150 612 H ARG 75 H ARG 75 16.155 -7.089 -4.454 613 HA ARG 75 HA ARG 75 18.461 -7.576 -6.218 614 HB2 ARG 75 2HB ARG 75 15.541 -8.184 -6.747 615 HB3 ARG 75 1HB ARG 75 16.953 -8.848 -7.566 616 HG2 ARG 75 2HG ARG 75 17.549 -10.119 -5.578 617 HG3 ARG 75 1HG ARG 75 16.208 -9.401 -4.696 618 HD2 ARG 75 2HD ARG 75 14.676 -10.438 -6.398 619 HD3 ARG 75 1HD ARG 75 16.083 -11.313 -7.018 620 HE ARG 75 HE ARG 75 15.616 -11.561 -4.181 621 HH11 ARG 75 1HH1 ARG 75 15.122 -13.071 -7.353 622 HH12 ARG 75 2HH1 ARG 75 14.626 -14.567 -6.718 623 HH21 ARG 75 1HH2 ARG 75 14.931 -13.677 -3.306 624 HH22 ARG 75 2HH2 ARG 75 14.521 -14.904 -4.393 625 H SER 76 H SER 76 18.605 -6.089 -7.948 626 HA SER 76 HA SER 76 17.077 -3.688 -7.697 627 HB2 SER 76 2HB SER 76 19.489 -3.697 -8.385 628 HB3 SER 76 1HB SER 76 19.026 -4.504 -9.881 629 HG SER 76 HG SER 76 18.862 -1.886 -9.165 630 H SER 77 H SER 77 15.014 -3.698 -8.334 631 HA SER 77 HA SER 77 14.339 -4.535 -10.996 632 HB2 SER 77 2HB SER 77 13.015 -5.761 -8.555 633 HB3 SER 77 1HB SER 77 12.465 -5.967 -10.220 634 HG SER 77 HG SER 77 15.087 -6.507 -9.947 Start of MODEL 5 1 H1 GLY 1 1HT GLY 1 2.324 16.925 -5.056 2 H2 GLY 1 2HT GLY 1 1.059 16.636 -4.013 3 H3 GLY 1 3HT GLY 1 0.758 16.859 -5.654 4 HA2 GLY 1 1HA GLY 1 0.571 14.541 -5.102 5 HA3 GLY 1 2HA GLY 1 1.935 14.820 -6.170 6 H THR 2 H THR 2 3.950 15.645 -4.582 7 HA THR 2 HA THR 2 4.051 13.975 -2.280 8 HB THR 2 HB THR 2 4.803 12.401 -3.945 9 HG1 THR 2 1HG THR 2 6.055 12.533 -1.981 10 HG21 THR 2 3HG2 THR 2 6.793 14.486 -4.877 11 HG22 THR 2 1HG2 THR 2 5.379 13.923 -5.767 12 HG23 THR 2 2HG2 THR 2 6.719 12.820 -5.454 13 H ASN 3 H ASN 3 4.793 15.270 -0.734 14 HA ASN 3 HA ASN 3 6.628 17.385 -1.547 15 HB2 ASN 3 2HB ASN 3 4.516 17.539 0.578 16 HB3 ASN 3 1HB ASN 3 5.783 18.746 0.397 17 HD21 ASN 3 1HD2 ASN 3 5.768 20.055 -1.416 18 HD22 ASN 3 2HD2 ASN 3 4.382 20.266 -2.414 19 H ASP 4 H ASP 4 8.303 16.010 -1.253 20 HA ASP 4 HA ASP 4 10.194 15.321 -0.279 21 HB2 ASP 4 2HB ASP 4 10.532 17.702 -0.435 22 HB3 ASP 4 1HB ASP 4 9.854 17.919 1.174 23 H ALA 5 H ALA 5 8.866 16.711 2.603 24 HA ALA 5 HA ALA 5 10.369 14.859 4.190 25 HB1 ALA 5 1HB ALA 5 9.637 16.052 6.133 26 HB2 ALA 5 2HB ALA 5 8.373 16.854 5.200 27 HB3 ALA 5 3HB ALA 5 10.070 17.197 4.860 28 H GLU 6 H GLU 6 7.412 14.588 2.921 29 HA GLU 6 HA GLU 6 6.727 12.617 4.991 30 HB2 GLU 6 2HB GLU 6 4.320 12.854 4.397 31 HB3 GLU 6 1HB GLU 6 5.047 14.303 5.065 32 HG2 GLU 6 2HG GLU 6 5.269 15.184 2.766 33 HG3 GLU 6 1HG GLU 6 4.417 13.748 2.193 34 H ASP 7 H ASP 7 6.900 10.654 4.543 35 HA ASP 7 HA ASP 7 6.758 9.669 1.765 36 HB2 ASP 7 2HB ASP 7 8.749 8.988 3.138 37 HB3 ASP 7 1HB ASP 7 7.660 8.220 4.283 38 H CYS 8 H CYS 8 4.950 9.987 4.515 39 HA CYS 8 HA CYS 8 3.253 7.762 3.938 40 HB2 CYS 8 2HB CYS 8 1.772 8.779 5.750 41 HB3 CYS 8 1HB CYS 8 3.351 8.211 6.255 42 H CYS 9 H CYS 9 0.722 8.484 3.980 43 HA CYS 9 HA CYS 9 0.722 9.717 1.355 44 HB2 CYS 9 2HB CYS 9 -0.279 7.391 2.139 45 HB3 CYS 9 1HB CYS 9 -1.666 8.408 2.484 46 H LEU 10 H LEU 10 -1.632 10.669 0.919 47 HA LEU 10 HA LEU 10 -1.729 13.093 2.477 48 HB2 LEU 10 2HB LEU 10 -3.433 12.170 0.161 49 HB3 LEU 10 1HB LEU 10 -3.368 13.790 0.807 50 HG LEU 10 HG LEU 10 -1.093 12.378 -0.589 51 HD11 LEU 10 1HD1 LEU 10 -2.914 12.931 -2.102 52 HD12 LEU 10 2HD1 LEU 10 -1.515 13.963 -2.396 53 HD13 LEU 10 3HD1 LEU 10 -2.907 14.595 -1.520 54 HD21 LEU 10 3HD2 LEU 10 -0.001 14.553 -0.548 55 HD22 LEU 10 1HD2 LEU 10 -0.317 13.987 1.088 56 HD23 LEU 10 2HD2 LEU 10 -1.346 15.228 0.366 57 H SER 11 H SER 11 -4.277 10.844 1.356 58 HA SER 11 HA SER 11 -5.494 10.343 3.816 59 HB2 SER 11 2HB SER 11 -7.558 11.763 3.436 60 HB3 SER 11 1HB SER 11 -6.121 12.713 3.828 61 HG SER 11 HG SER 11 -6.966 12.203 1.157 62 H VAL 12 H VAL 12 -7.360 8.903 3.402 63 HA VAL 12 HA VAL 12 -7.187 7.974 0.631 64 HB VAL 12 HB VAL 12 -7.765 5.852 1.267 65 HG11 VAL 12 1HG1 VAL 12 -5.643 6.223 2.147 66 HG12 VAL 12 2HG1 VAL 12 -6.518 5.197 3.285 67 HG13 VAL 12 3HG1 VAL 12 -6.294 6.912 3.631 68 HG21 VAL 12 3HG2 VAL 12 -8.991 6.791 3.883 69 HG22 VAL 12 1HG2 VAL 12 -8.875 5.126 3.258 70 HG23 VAL 12 2HG2 VAL 12 -9.839 6.303 2.392 71 H THR 13 H THR 13 -9.157 7.238 -0.366 72 HA THR 13 HA THR 13 -11.421 8.909 0.410 73 HB THR 13 HB THR 13 -10.602 9.316 -1.894 74 HG1 THR 13 1HG THR 13 -12.663 9.675 -2.058 75 HG21 THR 13 3HG2 THR 13 -9.616 7.124 -2.343 76 HG22 THR 13 1HG2 THR 13 -10.748 7.569 -3.621 77 HG23 THR 13 2HG2 THR 13 -11.220 6.398 -2.388 78 H GLN 14 H GLN 14 -13.576 7.607 -0.444 79 HA GLN 14 HA GLN 14 -13.978 5.608 1.426 80 HB2 GLN 14 2HB GLN 14 -15.786 6.843 0.288 81 HB3 GLN 14 1HB GLN 14 -15.463 5.948 -1.185 82 HG2 GLN 14 2HG GLN 14 -16.120 3.888 -0.072 83 HG3 GLN 14 1HG GLN 14 -16.373 4.793 1.426 84 HE21 GLN 14 1HE2 GLN 14 -18.133 6.192 1.586 85 HE22 GLN 14 2HE2 GLN 14 -19.458 6.101 0.490 86 H LYS 15 H LYS 15 -13.643 5.038 -2.105 87 HA LYS 15 HA LYS 15 -11.993 2.826 -1.317 88 HB2 LYS 15 2HB LYS 15 -14.124 1.765 -1.800 89 HB3 LYS 15 1HB LYS 15 -14.163 2.528 -3.393 90 HG2 LYS 15 2HG LYS 15 -12.095 1.389 -3.988 91 HG3 LYS 15 1HG LYS 15 -12.080 0.618 -2.410 92 HD2 LYS 15 2HD LYS 15 -14.128 -0.569 -2.929 93 HD3 LYS 15 1HD LYS 15 -14.260 0.291 -4.470 94 HE2 LYS 15 2HE LYS 15 -12.002 -1.538 -3.678 95 HE3 LYS 15 1HE LYS 15 -13.324 -1.967 -4.762 96 HZ1 LYS 15 3HZ LYS 15 -12.604 -0.270 -6.297 97 HZ2 LYS 15 1HZ LYS 15 -11.355 -1.322 -5.988 98 HZ3 LYS 15 2HZ LYS 15 -11.335 0.215 -5.290 99 HA PRO 16 HA PRO 16 -9.569 5.005 -4.417 100 HB2 PRO 16 2HB PRO 16 -7.209 3.842 -3.485 101 HB3 PRO 16 1HB PRO 16 -7.891 5.370 -2.944 102 HG2 PRO 16 2HG PRO 16 -7.953 2.725 -1.572 103 HG3 PRO 16 1HG PRO 16 -7.940 4.338 -0.955 104 HD2 PRO 16 2HD PRO 16 -10.122 2.821 -0.981 105 HD3 PRO 16 1HD PRO 16 -10.021 4.562 -0.958 106 H ILE 17 H ILE 17 -7.341 3.783 -5.387 107 HA ILE 17 HA ILE 17 -8.239 2.381 -7.571 108 HB ILE 17 HB ILE 17 -5.980 2.022 -8.207 109 HG12 ILE 17 2HG1 ILE 17 -4.979 1.071 -6.174 110 HG13 ILE 17 1HG1 ILE 17 -4.011 2.426 -6.726 111 HG21 ILE 17 1HG2 ILE 17 -6.230 4.640 -6.757 112 HG22 ILE 17 2HG2 ILE 17 -6.716 4.280 -8.415 113 HG23 ILE 17 3HG2 ILE 17 -5.009 4.273 -7.976 114 HD11 ILE 17 3HD1 ILE 17 -5.930 2.389 -4.400 115 HD12 ILE 17 1HD1 ILE 17 -5.044 3.811 -4.962 116 HD13 ILE 17 2HD1 ILE 17 -4.167 2.420 -4.322 117 HA PRO 18 HA PRO 18 -8.352 -1.920 -6.433 118 HB2 PRO 18 2HB PRO 18 -7.328 -2.793 -8.991 119 HB3 PRO 18 1HB PRO 18 -8.985 -2.859 -8.392 120 HG2 PRO 18 2HG PRO 18 -8.113 -1.225 -10.420 121 HG3 PRO 18 1HG PRO 18 -9.560 -0.924 -9.438 122 HD2 PRO 18 2HD PRO 18 -6.857 0.300 -9.302 123 HD3 PRO 18 1HD PRO 18 -8.451 1.014 -8.970 124 H GLY 19 H GLY 19 -7.072 -3.615 -5.775 125 HA2 GLY 19 2HA GLY 19 -4.284 -3.051 -5.411 126 HA3 GLY 19 1HA GLY 19 -5.135 -4.446 -4.792 127 H TYR 20 H TYR 20 -5.812 -4.325 -7.969 128 HA TYR 20 HA TYR 20 -3.903 -6.345 -8.581 129 HB2 TYR 20 2HB TYR 20 -6.045 -6.763 -9.344 130 HB3 TYR 20 1HB TYR 20 -6.255 -5.138 -9.975 131 HD1 TYR 20 1HD TYR 20 -4.417 -8.316 -10.452 132 HD2 TYR 20 2HD TYR 20 -5.805 -4.737 -12.196 133 HE1 TYR 20 1HE TYR 20 -3.752 -9.172 -12.660 134 HE2 TYR 20 2HE TYR 20 -5.148 -5.552 -14.447 135 HH TYR 20 HH TYR 20 -4.276 -8.810 -14.976 136 H ILE 21 H ILE 21 -4.137 -2.907 -9.049 137 HA ILE 21 HA ILE 21 -2.092 -3.036 -11.153 138 HB ILE 21 HB ILE 21 -2.556 -0.666 -11.625 139 HG12 ILE 21 2HG1 ILE 21 -4.729 -0.884 -9.524 140 HG13 ILE 21 1HG1 ILE 21 -3.223 0.003 -9.316 141 HG21 ILE 21 1HG2 ILE 21 -4.816 -0.930 -12.541 142 HG22 ILE 21 2HG2 ILE 21 -5.033 -2.378 -11.557 143 HG23 ILE 21 3HG2 ILE 21 -3.810 -2.351 -12.828 144 HD11 ILE 21 3HD1 ILE 21 -5.370 0.597 -11.339 145 HD12 ILE 21 1HD1 ILE 21 -3.856 1.481 -11.163 146 HD13 ILE 21 2HD1 ILE 21 -5.049 1.510 -9.865 147 H VAL 22 H VAL 22 -1.894 -3.200 -8.087 148 HA VAL 22 HA VAL 22 0.187 -1.159 -7.689 149 HB VAL 22 HB VAL 22 -1.465 -1.135 -5.927 150 HG11 VAL 22 1HG1 VAL 22 -2.370 -3.271 -6.129 151 HG12 VAL 22 2HG1 VAL 22 -1.788 -3.084 -4.469 152 HG13 VAL 22 3HG1 VAL 22 -0.869 -4.040 -5.663 153 HG21 VAL 22 3HG2 VAL 22 1.090 -2.419 -5.022 154 HG22 VAL 22 1HG2 VAL 22 -0.050 -1.562 -3.987 155 HG23 VAL 22 2HG2 VAL 22 0.797 -0.695 -5.263 156 H ARG 23 H ARG 23 2.181 -1.508 -7.333 157 HA ARG 23 HA ARG 23 3.224 -4.080 -8.234 158 HB2 ARG 23 2HB ARG 23 3.962 -1.406 -8.662 159 HB3 ARG 23 1HB ARG 23 5.045 -1.941 -7.413 160 HG2 ARG 23 2HG ARG 23 4.810 -3.246 -10.106 161 HG3 ARG 23 1HG ARG 23 6.048 -2.102 -9.620 162 HD2 ARG 23 2HD ARG 23 7.037 -4.199 -9.430 163 HD3 ARG 23 1HD ARG 23 6.624 -3.754 -7.786 164 HE ARG 23 HE ARG 23 4.524 -5.248 -8.948 165 HH11 ARG 23 1HH1 ARG 23 7.748 -5.680 -7.563 166 HH12 ARG 23 2HH1 ARG 23 7.492 -7.303 -7.142 167 HH21 ARG 23 1HH2 ARG 23 4.163 -7.434 -8.346 168 HH22 ARG 23 2HH2 ARG 23 5.380 -8.319 -7.571 169 H ASN 24 H ASN 24 3.770 -1.712 -5.596 170 HA ASN 24 HA ASN 24 4.080 -3.855 -3.647 171 HB2 ASN 24 2HB ASN 24 6.131 -1.625 -3.975 172 HB3 ASN 24 1HB ASN 24 6.061 -2.734 -2.618 173 HD21 ASN 24 1HD2 ASN 24 7.025 -2.270 -5.887 174 HD22 ASN 24 2HD2 ASN 24 7.839 -3.789 -6.052 175 H PHE 25 H PHE 25 4.022 -2.893 -1.396 176 HA PHE 25 HA PHE 25 2.572 -0.345 -1.402 177 HB2 PHE 25 2HB PHE 25 0.990 -1.189 0.213 178 HB3 PHE 25 1HB PHE 25 0.886 -2.178 -1.220 179 HD1 PHE 25 1HD PHE 25 2.051 -4.448 -1.201 180 HD2 PHE 25 2HD PHE 25 1.441 -2.161 2.331 181 HE1 PHE 25 1HE PHE 25 2.389 -6.460 0.152 182 HE2 PHE 25 2HE PHE 25 1.781 -4.176 3.696 183 HZ PHE 25 HZ PHE 25 2.255 -6.342 2.597 184 H HIS 26 H HIS 26 2.668 0.763 0.597 185 HA HIS 26 HA HIS 26 4.576 -0.324 2.533 186 HB2 HIS 26 2HB HIS 26 4.374 2.620 1.760 187 HB3 HIS 26 1HB HIS 26 5.328 1.995 3.092 188 HD1 HIS 26 1HD HIS 26 5.905 3.270 -0.068 189 HD2 HIS 26 2HD HIS 26 7.142 -0.212 1.828 190 HE1 HIS 26 1HE HIS 26 7.916 2.483 -1.337 191 HE2 HIS 26 2HE HIS 26 8.387 0.229 -0.376 192 H TYR 27 H TYR 27 3.597 -0.770 4.299 193 HA TYR 27 HA TYR 27 0.905 0.189 4.781 194 HB2 TYR 27 2HB TYR 27 1.753 -2.189 5.009 195 HB3 TYR 27 1HB TYR 27 2.595 -1.618 6.456 196 HD1 TYR 27 2HD TYR 27 -0.699 -1.651 4.871 197 HD2 TYR 27 1HD TYR 27 1.479 -1.674 8.485 198 HE1 TYR 27 2HE TYR 27 -2.757 -1.915 6.025 199 HE2 TYR 27 1HE TYR 27 -0.603 -1.954 9.756 200 HH TYR 27 HH TYR 27 -3.513 -2.826 8.288 201 H LEU 28 H LEU 28 0.906 2.205 5.491 202 HA LEU 28 HA LEU 28 2.745 2.870 7.645 203 HB2 LEU 28 2HB LEU 28 1.496 4.615 5.565 204 HB3 LEU 28 1HB LEU 28 2.451 5.233 6.885 205 HG LEU 28 HG LEU 28 3.402 3.459 4.638 206 HD11 LEU 28 1HD1 LEU 28 4.817 5.403 4.103 207 HD12 LEU 28 2HD1 LEU 28 4.024 6.267 5.428 208 HD13 LEU 28 3HD1 LEU 28 3.083 5.751 4.027 209 HD21 LEU 28 3HD2 LEU 28 5.632 3.675 5.619 210 HD22 LEU 28 1HD2 LEU 28 4.545 2.817 6.698 211 HD23 LEU 28 2HD2 LEU 28 4.944 4.507 7.013 212 H LEU 29 H LEU 29 2.073 3.992 9.331 213 HA LEU 29 HA LEU 29 -0.822 4.221 9.833 214 HB2 LEU 29 2HB LEU 29 1.109 2.655 11.542 215 HB3 LEU 29 1HB LEU 29 -0.531 3.046 11.992 216 HG LEU 29 HG LEU 29 0.306 1.272 9.718 217 HD11 LEU 29 1HD1 LEU 29 -0.605 -0.525 11.144 218 HD12 LEU 29 2HD1 LEU 29 -0.840 0.646 12.437 219 HD13 LEU 29 3HD1 LEU 29 0.789 0.274 11.868 220 HD21 LEU 29 3HD2 LEU 29 -1.832 2.373 9.268 221 HD22 LEU 29 1HD2 LEU 29 -2.436 1.865 10.846 222 HD23 LEU 29 2HD2 LEU 29 -2.076 0.662 9.608 223 H ILE 30 H ILE 30 -0.991 5.047 12.316 224 HA ILE 30 HA ILE 30 0.571 7.447 12.465 225 HB ILE 30 HB ILE 30 -1.189 6.235 14.639 226 HG12 ILE 30 2HG1 ILE 30 -1.929 8.288 12.528 227 HG13 ILE 30 1HG1 ILE 30 -2.438 6.606 12.500 228 HG21 ILE 30 1HG2 ILE 30 0.429 7.967 15.343 229 HG22 ILE 30 2HG2 ILE 30 -1.246 8.536 15.523 230 HG23 ILE 30 3HG2 ILE 30 -0.232 9.067 14.171 231 HD11 ILE 30 3HD1 ILE 30 -4.207 8.058 13.309 232 HD12 ILE 30 1HD1 ILE 30 -3.157 8.643 14.601 233 HD13 ILE 30 2HD1 ILE 30 -3.673 6.958 14.578 234 H LYS 31 H LYS 31 0.577 4.266 13.764 235 HA LYS 31 HA LYS 31 2.487 4.520 15.807 236 HB2 LYS 31 2HB LYS 31 1.934 2.153 14.017 237 HB3 LYS 31 1HB LYS 31 2.871 2.091 15.499 238 HG2 LYS 31 2HG LYS 31 0.901 2.773 16.774 239 HG3 LYS 31 1HG LYS 31 -0.036 2.832 15.280 240 HD2 LYS 31 2HD LYS 31 0.404 0.449 14.931 241 HD3 LYS 31 1HD LYS 31 1.313 0.404 16.442 242 HE2 LYS 31 2HE LYS 31 -0.724 1.095 17.651 243 HE3 LYS 31 1HE LYS 31 -1.615 1.077 16.131 244 HZ1 LYS 31 3HZ LYS 31 -1.044 -1.278 15.925 245 HZ2 LYS 31 1HZ LYS 31 -1.990 -0.977 17.285 246 HZ3 LYS 31 2HZ LYS 31 -0.321 -1.251 17.434 247 H ASP 32 H ASP 32 2.807 4.585 12.404 248 HA ASP 32 HA ASP 32 5.658 4.149 12.373 249 HB2 ASP 32 2HB ASP 32 4.241 3.682 10.363 250 HB3 ASP 32 1HB ASP 32 3.872 5.400 10.262 251 H GLY 33 H GLY 33 3.455 6.885 11.955 252 HA2 GLY 33 2HA GLY 33 4.101 8.660 13.661 253 HA3 GLY 33 1HA GLY 33 5.625 8.709 12.827 254 H CYS 34 H CYS 34 2.219 8.634 11.788 255 HA CYS 34 HA CYS 34 2.417 11.320 10.800 256 HB2 CYS 34 2HB CYS 34 1.644 8.952 9.061 257 HB3 CYS 34 1HB CYS 34 1.289 10.621 8.653 258 H ARG 35 H ARG 35 0.394 12.312 10.794 259 HA ARG 35 HA ARG 35 -1.434 11.365 12.708 260 HB2 ARG 35 2HB ARG 35 -1.097 13.742 12.233 261 HB3 ARG 35 1HB ARG 35 -1.740 13.514 10.616 262 HG2 ARG 35 2HG ARG 35 -3.917 12.936 11.556 263 HG3 ARG 35 1HG ARG 35 -3.267 13.142 13.178 264 HD2 ARG 35 2HD ARG 35 -2.807 15.482 12.717 265 HD3 ARG 35 1HD ARG 35 -3.422 15.295 11.076 266 HE ARG 35 HE ARG 35 -5.476 14.449 12.521 267 HH11 ARG 35 1HH1 ARG 35 -3.542 17.402 12.670 268 HH12 ARG 35 2HH1 ARG 35 -4.774 18.341 13.380 269 HH21 ARG 35 1HH2 ARG 35 -7.184 15.765 13.483 270 HH22 ARG 35 2HH2 ARG 35 -6.874 17.392 13.854 271 H VAL 36 H VAL 36 -1.294 11.089 9.271 272 HA VAL 36 HA VAL 36 -3.927 9.879 9.180 273 HB VAL 36 HB VAL 36 -3.628 11.641 7.565 274 HG11 VAL 36 1HG1 VAL 36 -1.942 11.563 5.778 275 HG12 VAL 36 2HG1 VAL 36 -1.226 10.142 6.540 276 HG13 VAL 36 3HG1 VAL 36 -1.223 11.690 7.383 277 HG21 VAL 36 3HG2 VAL 36 -4.084 10.458 5.449 278 HG22 VAL 36 1HG2 VAL 36 -4.974 9.768 6.808 279 HG23 VAL 36 2HG2 VAL 36 -3.536 8.954 6.190 280 HA PRO 37 HA PRO 37 -1.747 5.973 8.742 281 HB2 PRO 37 2HB PRO 37 -3.804 4.409 9.555 282 HB3 PRO 37 1HB PRO 37 -2.772 5.267 10.701 283 HG2 PRO 37 2HG PRO 37 -5.552 5.846 9.872 284 HG3 PRO 37 1HG PRO 37 -4.720 6.250 11.382 285 HD2 PRO 37 2HD PRO 37 -5.208 7.974 9.175 286 HD3 PRO 37 1HD PRO 37 -4.222 8.313 10.609 287 H ALA 38 H ALA 38 -1.641 4.857 6.857 288 HA ALA 38 HA ALA 38 -3.878 4.084 5.336 289 HB1 ALA 38 1HB ALA 38 -2.286 6.418 4.264 290 HB2 ALA 38 2HB ALA 38 -3.969 6.469 4.785 291 HB3 ALA 38 3HB ALA 38 -3.511 5.509 3.378 292 H VAL 39 H VAL 39 -3.240 2.669 3.748 293 HA VAL 39 HA VAL 39 -0.382 2.166 3.676 294 HB VAL 39 HB VAL 39 -1.724 0.173 4.226 295 HG11 VAL 39 1HG1 VAL 39 -3.827 0.774 3.176 296 HG12 VAL 39 2HG1 VAL 39 -3.271 -0.826 2.670 297 HG13 VAL 39 3HG1 VAL 39 -3.093 0.548 1.578 298 HG21 VAL 39 3HG2 VAL 39 -0.931 -1.367 2.493 299 HG22 VAL 39 1HG2 VAL 39 0.306 -0.183 2.919 300 HG23 VAL 39 2HG2 VAL 39 -0.619 0.007 1.433 301 H VAL 40 H VAL 40 0.753 2.713 1.942 302 HA VAL 40 HA VAL 40 -0.789 3.918 -0.142 303 HB VAL 40 HB VAL 40 1.187 4.919 -0.921 304 HG11 VAL 40 1HG1 VAL 40 1.959 6.221 1.014 305 HG12 VAL 40 2HG1 VAL 40 1.138 5.075 2.073 306 HG13 VAL 40 3HG1 VAL 40 0.211 6.030 0.906 307 HG21 VAL 40 3HG2 VAL 40 2.715 3.241 1.028 308 HG22 VAL 40 1HG2 VAL 40 3.421 4.555 0.063 309 HG23 VAL 40 2HG2 VAL 40 2.734 3.134 -0.740 310 H PHE 41 H PHE 41 -1.130 3.020 -1.939 311 HA PHE 41 HA PHE 41 0.301 0.586 -2.563 312 HB2 PHE 41 2HB PHE 41 -2.225 1.767 -3.692 313 HB3 PHE 41 1HB PHE 41 -1.401 0.424 -4.457 314 HD1 PHE 41 2HD PHE 41 -0.614 -1.247 -2.209 315 HD2 PHE 41 1HD PHE 41 -4.203 0.956 -2.813 316 HE1 PHE 41 2HE PHE 41 -1.814 -2.853 -0.825 317 HE2 PHE 41 1HE PHE 41 -5.413 -0.642 -1.411 318 HZ PHE 41 HZ PHE 41 -4.203 -2.578 -0.420 319 H THR 42 H THR 42 2.050 0.774 -3.685 320 HA THR 42 HA THR 42 2.482 3.044 -5.390 321 HB THR 42 HB THR 42 4.183 0.612 -4.748 322 HG1 THR 42 1HG THR 42 4.541 3.298 -3.965 323 HG21 THR 42 3HG2 THR 42 6.038 1.863 -5.785 324 HG22 THR 42 1HG2 THR 42 4.908 3.140 -6.249 325 HG23 THR 42 2HG2 THR 42 4.749 1.521 -6.938 326 H THR 43 H THR 43 1.420 2.937 -7.237 327 HA THR 43 HA THR 43 0.506 0.511 -8.333 328 HB THR 43 HB THR 43 -0.287 1.918 -10.185 329 HG1 THR 43 1HG THR 43 -0.002 4.193 -9.911 330 HG21 THR 43 3HG2 THR 43 -0.846 2.977 -7.410 331 HG22 THR 43 1HG2 THR 43 -1.634 1.594 -8.163 332 HG23 THR 43 2HG2 THR 43 -1.881 3.217 -8.819 333 H LEU 44 H LEU 44 0.789 0.156 -10.808 334 HA LEU 44 HA LEU 44 3.367 -0.669 -11.365 335 HB2 LEU 44 2HB LEU 44 1.077 -0.036 -13.191 336 HB3 LEU 44 1HB LEU 44 2.498 -0.954 -13.624 337 HG LEU 44 HG LEU 44 0.406 -1.763 -11.600 338 HD11 LEU 44 1HD1 LEU 44 -0.404 -1.908 -13.876 339 HD12 LEU 44 2HD1 LEU 44 -0.158 -3.517 -13.199 340 HD13 LEU 44 3HD1 LEU 44 1.013 -2.851 -14.337 341 HD21 LEU 44 3HD2 LEU 44 2.602 -2.607 -10.953 342 HD22 LEU 44 1HD2 LEU 44 2.842 -3.261 -12.574 343 HD23 LEU 44 2HD2 LEU 44 1.581 -3.920 -11.539 344 H ARG 45 H ARG 45 1.740 2.323 -11.900 345 HA ARG 45 HA ARG 45 3.723 3.413 -13.677 346 HB2 ARG 45 2HB ARG 45 1.357 4.168 -13.719 347 HB3 ARG 45 1HB ARG 45 1.560 4.825 -12.104 348 HG2 ARG 45 2HG ARG 45 1.672 6.587 -13.760 349 HG3 ARG 45 1HG ARG 45 3.236 6.395 -12.960 350 HD2 ARG 45 2HD ARG 45 4.009 5.047 -14.874 351 HD3 ARG 45 1HD ARG 45 2.452 5.320 -15.661 352 HE ARG 45 HE ARG 45 3.751 7.715 -14.886 353 HH11 ARG 45 1HH1 ARG 45 3.521 5.281 -17.407 354 HH12 ARG 45 2HH1 ARG 45 4.202 6.234 -18.638 355 HH21 ARG 45 1HH2 ARG 45 4.726 9.080 -16.550 356 HH22 ARG 45 2HH2 ARG 45 4.886 8.471 -18.133 357 H GLY 46 H GLY 46 3.545 2.931 -10.308 358 HA2 GLY 46 2HA GLY 46 5.368 3.304 -8.875 359 HA3 GLY 46 1HA GLY 46 5.946 4.543 -9.981 360 H ARG 47 H ARG 47 2.630 4.694 -9.209 361 HA ARG 47 HA ARG 47 3.158 7.114 -7.662 362 HB2 ARG 47 2HB ARG 47 0.655 6.070 -8.945 363 HB3 ARG 47 1HB ARG 47 0.728 7.535 -7.989 364 HG2 ARG 47 2HG ARG 47 2.324 7.003 -10.436 365 HG3 ARG 47 1HG ARG 47 0.796 7.920 -10.461 366 HD2 ARG 47 2HD ARG 47 1.893 9.544 -8.907 367 HD3 ARG 47 1HD ARG 47 3.390 8.624 -9.060 368 HE ARG 47 HE ARG 47 2.451 9.290 -11.606 369 HH11 ARG 47 1HH1 ARG 47 3.932 10.882 -8.793 370 HH12 ARG 47 2HH1 ARG 47 4.624 12.135 -9.723 371 HH21 ARG 47 1HH2 ARG 47 3.443 10.998 -12.840 372 HH22 ARG 47 2HH2 ARG 47 4.350 12.200 -12.030 373 H GLN 48 H GLN 48 2.560 7.349 -5.686 374 HA GLN 48 HA GLN 48 1.589 5.008 -4.214 375 HB2 GLN 48 2HB GLN 48 2.751 7.632 -3.269 376 HB3 GLN 48 1HB GLN 48 2.002 6.503 -2.170 377 HG2 GLN 48 2HG GLN 48 4.401 6.311 -2.081 378 HG3 GLN 48 1HG GLN 48 3.707 4.834 -2.721 379 HE21 GLN 48 1HE2 GLN 48 5.634 7.620 -3.383 380 HE22 GLN 48 2HE2 GLN 48 6.288 7.078 -4.880 381 H LEU 49 H LEU 49 -0.459 4.836 -3.633 382 HA LEU 49 HA LEU 49 -2.041 7.312 -3.492 383 HB2 LEU 49 2HB LEU 49 -2.352 5.827 -5.603 384 HB3 LEU 49 1HB LEU 49 -3.146 4.699 -4.531 385 HG LEU 49 HG LEU 49 -4.765 6.013 -5.817 386 HD11 LEU 49 1HD1 LEU 49 -6.206 6.875 -4.093 387 HD12 LEU 49 2HD1 LEU 49 -4.881 6.789 -2.938 388 HD13 LEU 49 3HD1 LEU 49 -5.517 5.312 -3.648 389 HD21 LEU 49 3HD2 LEU 49 -3.456 8.005 -6.202 390 HD22 LEU 49 1HD2 LEU 49 -3.571 8.432 -4.496 391 HD23 LEU 49 2HD2 LEU 49 -5.021 8.414 -5.495 392 H CYS 50 H CYS 50 -3.575 7.355 -1.861 393 HA CYS 50 HA CYS 50 -2.889 5.812 0.469 394 HB2 CYS 50 2HB CYS 50 -5.158 7.744 0.192 395 HB3 CYS 50 1HB CYS 50 -4.172 7.390 1.604 396 H ALA 51 H ALA 51 -3.975 3.814 0.948 397 HA ALA 51 HA ALA 51 -6.838 3.834 0.380 398 HB1 ALA 51 1HB ALA 51 -6.849 1.540 -0.204 399 HB2 ALA 51 2HB ALA 51 -5.107 1.353 0.095 400 HB3 ALA 51 3HB ALA 51 -5.710 2.378 -1.232 401 HA PRO 52 HA PRO 52 -7.591 3.121 4.555 402 HB2 PRO 52 2HB PRO 52 -9.864 1.704 4.605 403 HB3 PRO 52 1HB PRO 52 -9.829 3.353 3.972 404 HG2 PRO 52 2HG PRO 52 -9.657 0.762 2.475 405 HG3 PRO 52 1HG PRO 52 -10.749 2.099 2.119 406 HD2 PRO 52 2HD PRO 52 -8.492 1.679 0.817 407 HD3 PRO 52 1HD PRO 52 -9.017 3.336 1.143 408 HA PRO 53 HA PRO 53 -5.639 -0.945 5.221 409 HB2 PRO 53 2HB PRO 53 -4.651 -0.399 7.685 410 HB3 PRO 53 1HB PRO 53 -3.872 0.179 6.209 411 HG2 PRO 53 2HG PRO 53 -5.675 1.642 8.093 412 HG3 PRO 53 1HG PRO 53 -4.195 2.206 7.298 413 HD2 PRO 53 2HD PRO 53 -6.692 2.838 6.422 414 HD3 PRO 53 1HD PRO 53 -5.299 2.702 5.333 415 H ASP 54 H ASP 54 -8.136 0.623 6.786 416 HA ASP 54 HA ASP 54 -8.710 -1.468 8.723 417 HB2 ASP 54 2HB ASP 54 -8.948 0.843 9.411 418 HB3 ASP 54 1HB ASP 54 -10.081 1.141 8.100 419 H GLN 55 H GLN 55 -9.543 -0.672 5.495 420 HA GLN 55 HA GLN 55 -12.105 -1.964 5.734 421 HB2 GLN 55 2HB GLN 55 -10.867 -0.519 3.418 422 HB3 GLN 55 1HB GLN 55 -12.399 -1.370 3.313 423 HG2 GLN 55 2HG GLN 55 -11.797 0.920 5.173 424 HG3 GLN 55 1HG GLN 55 -12.739 1.013 3.683 425 HE21 GLN 55 1HE2 GLN 55 -12.701 -0.028 7.007 426 HE22 GLN 55 2HE2 GLN 55 -14.369 -0.391 7.120 427 HA PRO 56 HA PRO 56 -11.073 -6.074 4.904 428 HB2 PRO 56 2HB PRO 56 -13.474 -5.911 3.146 429 HB3 PRO 56 1HB PRO 56 -13.022 -7.130 4.346 430 HG2 PRO 56 2HG PRO 56 -14.819 -5.276 4.944 431 HG3 PRO 56 1HG PRO 56 -13.613 -5.798 6.132 432 HD2 PRO 56 2HD PRO 56 -13.769 -3.264 4.595 433 HD3 PRO 56 1HD PRO 56 -13.098 -3.594 6.208 434 H TRP 57 H TRP 57 -12.079 -4.274 1.963 435 HA TRP 57 HA TRP 57 -11.074 -6.160 0.165 436 HB2 TRP 57 2HB TRP 57 -11.296 -4.522 -1.586 437 HB3 TRP 57 1HB TRP 57 -12.629 -4.296 -0.471 438 HD1 TRP 57 HD1 TRP 57 -12.403 -1.975 1.184 439 HE1 TRP 57 1HE TRP 57 -11.253 0.224 0.678 440 HE3 TRP 57 3HE TRP 57 -9.489 -3.453 -2.766 441 HZ2 TRP 57 2HZ TRP 57 -9.323 1.232 -1.158 442 HZ3 TRP 57 3HZ TRP 57 -8.025 -1.758 -3.814 443 HH2 TRP 57 HH2 TRP 57 -7.971 0.509 -3.015 444 H VAL 58 H VAL 58 -9.425 -3.507 1.761 445 HA VAL 58 HA VAL 58 -7.053 -3.661 0.226 446 HB VAL 58 HB VAL 58 -7.600 -2.432 2.954 447 HG11 VAL 58 1HG1 VAL 58 -5.092 -2.208 1.284 448 HG12 VAL 58 2HG1 VAL 58 -5.234 -3.081 2.811 449 HG13 VAL 58 3HG1 VAL 58 -5.436 -1.329 2.772 450 HG21 VAL 58 3HG2 VAL 58 -7.137 -1.201 0.231 451 HG22 VAL 58 1HG2 VAL 58 -7.398 -0.307 1.719 452 HG23 VAL 58 2HG2 VAL 58 -8.676 -1.313 1.066 453 H GLU 59 H GLU 59 -8.103 -5.087 3.246 454 HA GLU 59 HA GLU 59 -5.731 -6.263 4.128 455 HB2 GLU 59 2HB GLU 59 -8.509 -7.416 4.372 456 HB3 GLU 59 1HB GLU 59 -7.129 -7.802 5.385 457 HG2 GLU 59 2HG GLU 59 -7.117 -5.497 6.220 458 HG3 GLU 59 1HG GLU 59 -8.523 -5.139 5.215 459 H ARG 60 H ARG 60 -7.982 -7.284 1.684 460 HA ARG 60 HA ARG 60 -6.861 -9.914 1.419 461 HB2 ARG 60 2HB ARG 60 -9.001 -8.457 -0.097 462 HB3 ARG 60 1HB ARG 60 -8.332 -9.953 -0.723 463 HG2 ARG 60 2HG ARG 60 -10.424 -10.307 0.513 464 HG3 ARG 60 1HG ARG 60 -9.077 -11.157 1.245 465 HD2 ARG 60 2HD ARG 60 -8.886 -9.332 2.897 466 HD3 ARG 60 1HD ARG 60 -10.292 -8.562 2.167 467 HE ARG 60 HE ARG 60 -10.898 -11.204 2.854 468 HH11 ARG 60 1HH1 ARG 60 -10.256 -8.082 4.384 469 HH12 ARG 60 2HH1 ARG 60 -11.185 -8.355 5.762 470 HH21 ARG 60 1HH2 ARG 60 -12.236 -11.617 4.756 471 HH22 ARG 60 2HH2 ARG 60 -12.381 -10.423 5.959 472 H ILE 61 H ILE 61 -6.643 -6.942 -0.466 473 HA ILE 61 HA ILE 61 -4.990 -8.187 -2.404 474 HB ILE 61 HB ILE 61 -4.414 -5.796 -3.098 475 HG12 ILE 61 2HG1 ILE 61 -6.649 -5.239 -1.151 476 HG13 ILE 61 1HG1 ILE 61 -4.984 -4.688 -1.016 477 HG21 ILE 61 1HG2 ILE 61 -6.627 -5.552 -4.222 478 HG22 ILE 61 2HG2 ILE 61 -7.253 -6.818 -3.172 479 HG23 ILE 61 3HG2 ILE 61 -5.973 -7.170 -4.341 480 HD11 ILE 61 3HD1 ILE 61 -6.944 -3.901 -3.152 481 HD12 ILE 61 1HD1 ILE 61 -5.281 -3.318 -2.993 482 HD13 ILE 61 2HD1 ILE 61 -6.476 -2.928 -1.760 483 H ILE 62 H ILE 62 -4.278 -6.449 0.521 484 HA ILE 62 HA ILE 62 -1.518 -6.168 0.297 485 HB ILE 62 HB ILE 62 -3.114 -7.005 2.753 486 HG12 ILE 62 2HG1 ILE 62 -2.066 -4.271 1.942 487 HG13 ILE 62 1HG1 ILE 62 -3.746 -4.796 1.866 488 HG21 ILE 62 1HG2 ILE 62 -1.208 -6.262 4.107 489 HG22 ILE 62 2HG2 ILE 62 -0.277 -5.999 2.637 490 HG23 ILE 62 3HG2 ILE 62 -0.797 -7.629 3.071 491 HD11 ILE 62 3HD1 ILE 62 -3.779 -5.001 4.302 492 HD12 ILE 62 1HD1 ILE 62 -3.321 -3.377 3.793 493 HD13 ILE 62 2HD1 ILE 62 -2.087 -4.499 4.363 494 H GLN 63 H GLN 63 -3.406 -9.008 1.123 495 HA GLN 63 HA GLN 63 -1.384 -10.824 1.805 496 HB2 GLN 63 2HB GLN 63 -3.979 -11.471 0.393 497 HB3 GLN 63 1HB GLN 63 -2.970 -12.608 1.270 498 HG2 GLN 63 2HG GLN 63 -4.465 -10.274 2.434 499 HG3 GLN 63 1HG GLN 63 -4.913 -11.971 2.561 500 HE21 GLN 63 1HE2 GLN 63 -4.348 -10.007 4.595 501 HE22 GLN 63 2HE2 GLN 63 -3.083 -10.640 5.582 502 H ARG 64 H ARG 64 -2.840 -10.103 -1.361 503 HA ARG 64 HA ARG 64 -1.435 -12.048 -2.772 504 HB2 ARG 64 2HB ARG 64 -2.883 -9.568 -3.618 505 HB3 ARG 64 1HB ARG 64 -1.930 -10.465 -4.777 506 HG2 ARG 64 2HG ARG 64 -4.285 -11.088 -4.923 507 HG3 ARG 64 1HG ARG 64 -3.325 -12.454 -4.379 508 HD2 ARG 64 2HD ARG 64 -4.036 -12.007 -2.068 509 HD3 ARG 64 1HD ARG 64 -4.993 -10.639 -2.639 510 HE ARG 64 HE ARG 64 -5.764 -12.894 -4.069 511 HH11 ARG 64 1HH1 ARG 64 -5.915 -11.726 -0.741 512 HH12 ARG 64 2HH1 ARG 64 -7.356 -12.569 -0.351 513 HH21 ARG 64 1HH2 ARG 64 -7.798 -14.053 -3.538 514 HH22 ARG 64 2HH2 ARG 64 -8.424 -13.886 -1.969 515 H LEU 65 H LEU 65 -0.624 -8.652 -2.101 516 HA LEU 65 HA LEU 65 1.746 -8.849 -3.645 517 HB2 LEU 65 2HB LEU 65 0.942 -6.856 -1.541 518 HB3 LEU 65 1HB LEU 65 2.392 -6.728 -2.508 519 HG LEU 65 HG LEU 65 -0.443 -6.626 -3.536 520 HD11 LEU 65 1HD1 LEU 65 0.177 -4.648 -2.355 521 HD12 LEU 65 2HD1 LEU 65 0.159 -4.290 -4.094 522 HD13 LEU 65 3HD1 LEU 65 1.681 -4.521 -3.259 523 HD21 LEU 65 3HD2 LEU 65 2.178 -6.369 -5.019 524 HD22 LEU 65 1HD2 LEU 65 0.578 -6.061 -5.699 525 HD23 LEU 65 2HD2 LEU 65 1.000 -7.681 -5.183 526 H GLN 66 H GLN 66 1.000 -9.413 -0.242 527 HA GLN 66 HA GLN 66 3.715 -9.635 0.529 528 HB2 GLN 66 2HB GLN 66 1.267 -10.862 1.789 529 HB3 GLN 66 1HB GLN 66 2.875 -10.915 2.504 530 HG2 GLN 66 2HG GLN 66 2.844 -8.439 2.522 531 HG3 GLN 66 1HG GLN 66 1.170 -8.509 1.964 532 HE21 GLN 66 1HE2 GLN 66 3.332 -9.092 4.577 533 HE22 GLN 66 2HE2 GLN 66 2.133 -9.269 5.809 534 H ARG 67 H ARG 67 1.381 -12.077 -0.535 535 HA ARG 67 HA ARG 67 3.257 -14.192 -0.172 536 HB2 ARG 67 2HB ARG 67 1.662 -15.659 -1.271 537 HB3 ARG 67 1HB ARG 67 0.853 -14.647 -0.091 538 HG2 ARG 67 2HG ARG 67 0.079 -13.190 -1.915 539 HG3 ARG 67 1HG ARG 67 0.841 -14.282 -3.074 540 HD2 ARG 67 2HD ARG 67 -1.338 -15.010 -1.124 541 HD3 ARG 67 1HD ARG 67 -1.545 -14.761 -2.857 542 HE ARG 67 HE ARG 67 0.331 -16.686 -2.760 543 HH11 ARG 67 1HH1 ARG 67 -2.825 -16.410 -1.203 544 HH12 ARG 67 2HH1 ARG 67 -3.119 -18.091 -1.172 545 HH21 ARG 67 1HH2 ARG 67 -0.054 -18.951 -2.725 546 HH22 ARG 67 2HH2 ARG 67 -1.513 -19.577 -2.065 547 H THR 68 H THR 68 2.752 -11.957 -2.747 548 HA THR 68 HA THR 68 4.339 -13.597 -4.495 549 HB THR 68 HB THR 68 4.297 -11.651 -6.046 550 HG1 THR 68 1HG THR 68 2.173 -10.635 -4.502 551 HG21 THR 68 3HG2 THR 68 1.628 -12.734 -5.154 552 HG22 THR 68 1HG2 THR 68 2.718 -13.472 -6.330 553 HG23 THR 68 2HG2 THR 68 1.922 -11.943 -6.700 554 H SER 69 H SER 69 4.792 -10.991 -2.387 555 HA SER 69 HA SER 69 7.453 -10.350 -3.143 556 HB2 SER 69 2HB SER 69 6.084 -8.829 -1.730 557 HB3 SER 69 1HB SER 69 6.127 -10.011 -0.426 558 HG SER 69 HG SER 69 8.573 -9.181 -1.475 559 H ALA 70 H ALA 70 6.134 -12.425 -0.609 560 HA ALA 70 HA ALA 70 8.685 -13.542 0.081 561 HB1 ALA 70 1HB ALA 70 7.390 -15.096 1.473 562 HB2 ALA 70 2HB ALA 70 5.903 -14.530 0.715 563 HB3 ALA 70 3HB ALA 70 6.852 -13.433 1.716 564 H LYS 71 H LYS 71 6.359 -14.084 -2.290 565 HA LYS 71 HA LYS 71 5.876 -15.571 -3.767 566 HB2 LYS 71 2HB LYS 71 7.778 -16.472 -5.186 567 HB3 LYS 71 1HB LYS 71 7.679 -14.734 -5.000 568 HG2 LYS 71 2HG LYS 71 9.533 -14.802 -3.399 569 HG3 LYS 71 1HG LYS 71 9.607 -16.555 -3.538 570 HD2 LYS 71 2HD LYS 71 11.332 -15.540 -4.908 571 HD3 LYS 71 1HD LYS 71 10.134 -16.325 -5.930 572 HE2 LYS 71 2HE LYS 71 10.770 -14.180 -6.870 573 HE3 LYS 71 1HE LYS 71 9.086 -14.135 -6.369 574 HZ1 LYS 71 3HZ LYS 71 9.777 -12.906 -4.363 575 HZ2 LYS 71 1HZ LYS 71 10.276 -12.120 -5.762 576 HZ3 LYS 71 2HZ LYS 71 11.386 -13.001 -4.860 577 H MET 72 H MET 72 8.538 -17.645 -2.808 578 HA MET 72 HA MET 72 6.453 -19.658 -2.305 579 HB2 MET 72 2HB MET 72 7.796 -20.037 -4.383 580 HB3 MET 72 1HB MET 72 9.238 -20.134 -3.382 581 HG2 MET 72 2HG MET 72 8.357 -22.090 -2.306 582 HG3 MET 72 1HG MET 72 6.881 -21.998 -3.266 583 HE1 MET 72 3HE MET 72 8.304 -22.651 -6.898 584 HE2 MET 72 1HE MET 72 8.181 -21.069 -6.138 585 HE3 MET 72 2HE MET 72 6.875 -22.243 -5.956 586 H LYS 73 H LYS 73 8.448 -17.698 -0.760 587 HA LYS 73 HA LYS 73 9.787 -19.537 0.977 588 HB2 LYS 73 2HB LYS 73 9.450 -16.542 1.219 589 HB3 LYS 73 1HB LYS 73 10.489 -17.536 2.231 590 HG2 LYS 73 2HG LYS 73 11.852 -18.129 0.299 591 HG3 LYS 73 1HG LYS 73 10.781 -17.210 -0.752 592 HD2 LYS 73 2HD LYS 73 12.803 -15.937 -0.246 593 HD3 LYS 73 1HD LYS 73 11.382 -15.149 0.437 594 HE2 LYS 73 2HE LYS 73 11.912 -16.054 2.628 595 HE3 LYS 73 1HE LYS 73 13.277 -16.939 1.958 596 HZ1 LYS 73 3HZ LYS 73 12.975 -13.991 2.130 597 HZ2 LYS 73 1HZ LYS 73 14.281 -14.767 1.388 598 HZ3 LYS 73 2HZ LYS 73 13.993 -14.952 3.038 599 H ARG 74 H ARG 74 8.243 -20.725 1.753 600 HA ARG 74 HA ARG 74 6.043 -19.656 3.351 601 HB2 ARG 74 2HB ARG 74 6.827 -22.463 2.565 602 HB3 ARG 74 1HB ARG 74 5.357 -22.023 3.415 603 HG2 ARG 74 2HG ARG 74 4.505 -20.863 1.532 604 HG3 ARG 74 1HG ARG 74 6.060 -20.942 0.705 605 HD2 ARG 74 2HD ARG 74 4.390 -23.335 1.443 606 HD3 ARG 74 1HD ARG 74 4.399 -22.575 -0.154 607 HE ARG 74 HE ARG 74 7.029 -23.123 0.404 608 HH11 ARG 74 1HH1 ARG 74 4.101 -25.105 0.168 609 HH12 ARG 74 2HH1 ARG 74 4.926 -26.468 -0.420 610 HH21 ARG 74 1HH2 ARG 74 8.144 -25.012 -0.388 611 HH22 ARG 74 2HH2 ARG 74 7.279 -26.429 -0.715 612 H ARG 75 H ARG 75 8.806 -21.790 3.593 613 HA ARG 75 HA ARG 75 8.943 -21.386 6.511 614 HB2 ARG 75 2HB ARG 75 8.234 -23.680 5.842 615 HB3 ARG 75 1HB ARG 75 9.678 -23.824 4.860 616 HG2 ARG 75 2HG ARG 75 11.051 -23.700 6.886 617 HG3 ARG 75 1HG ARG 75 9.585 -23.579 7.863 618 HD2 ARG 75 2HD ARG 75 8.848 -25.753 7.013 619 HD3 ARG 75 1HD ARG 75 10.307 -25.871 6.040 620 HE ARG 75 HE ARG 75 10.853 -25.475 8.810 621 HH11 ARG 75 1HH1 ARG 75 10.047 -27.930 6.410 622 HH12 ARG 75 2HH1 ARG 75 10.727 -29.218 7.284 623 HH21 ARG 75 1HH2 ARG 75 11.806 -27.267 10.026 624 HH22 ARG 75 2HH2 ARG 75 11.739 -28.831 9.360 625 H SER 76 H SER 76 10.129 -20.586 3.654 626 HA SER 76 HA SER 76 11.980 -19.892 2.692 627 HB2 SER 76 2HB SER 76 13.017 -19.579 5.528 628 HB3 SER 76 1HB SER 76 13.743 -18.856 4.087 629 HG SER 76 HG SER 76 11.206 -18.345 5.234 630 H SER 77 H SER 77 12.139 -21.947 1.795 631 HA SER 77 HA SER 77 14.642 -23.229 2.324 632 HB2 SER 77 2HB SER 77 12.007 -24.749 2.410 633 HB3 SER 77 1HB SER 77 13.615 -25.481 2.459 634 HG SER 77 HG SER 77 13.381 -23.540 4.269 Start of MODEL 6 1 H1 GLY 1 1HT GLY 1 10.244 16.951 -1.668 2 H2 GLY 1 2HT GLY 1 10.409 17.755 -3.133 3 H3 GLY 1 3HT GLY 1 11.783 17.253 -2.270 4 HA2 GLY 1 1HA GLY 1 11.375 15.804 -4.134 5 HA3 GLY 1 2HA GLY 1 11.240 14.971 -2.592 6 H THR 2 H THR 2 9.735 15.703 -5.510 7 HA THR 2 HA THR 2 7.027 15.464 -4.766 8 HB THR 2 HB THR 2 8.394 15.002 -7.436 9 HG1 THR 2 1HG THR 2 6.996 17.307 -6.568 10 HG21 THR 2 3HG2 THR 2 5.482 15.589 -6.799 11 HG22 THR 2 1HG2 THR 2 6.116 14.052 -7.379 12 HG23 THR 2 2HG2 THR 2 6.176 15.479 -8.416 13 H ASN 3 H ASN 3 6.573 13.668 -3.623 14 HA ASN 3 HA ASN 3 6.066 11.538 -3.117 15 HB2 ASN 3 2HB ASN 3 5.240 11.312 -5.481 16 HB3 ASN 3 1HB ASN 3 6.857 10.850 -5.982 17 HD21 ASN 3 1HD2 ASN 3 6.130 8.875 -6.760 18 HD22 ASN 3 2HD2 ASN 3 5.662 7.582 -5.704 19 H ASP 4 H ASP 4 7.131 9.429 -2.629 20 HA ASP 4 HA ASP 4 8.840 8.164 -1.872 21 HB2 ASP 4 2HB ASP 4 9.844 8.131 -4.071 22 HB3 ASP 4 1HB ASP 4 10.522 9.735 -3.824 23 H ALA 5 H ALA 5 9.765 11.489 -1.998 24 HA ALA 5 HA ALA 5 11.377 11.312 0.402 25 HB1 ALA 5 1HB ALA 5 11.639 13.739 0.226 26 HB2 ALA 5 2HB ALA 5 10.389 13.785 -1.013 27 HB3 ALA 5 3HB ALA 5 11.924 12.972 -1.335 28 H GLU 6 H GLU 6 8.253 11.311 -0.132 29 HA GLU 6 HA GLU 6 7.565 12.527 2.440 30 HB2 GLU 6 2HB GLU 6 5.204 12.559 1.610 31 HB3 GLU 6 1HB GLU 6 6.285 13.537 0.633 32 HG2 GLU 6 2HG GLU 6 6.367 11.799 -1.052 33 HG3 GLU 6 1HG GLU 6 5.356 10.762 -0.047 34 H ASP 7 H ASP 7 7.302 11.112 4.039 35 HA ASP 7 HA ASP 7 6.424 8.451 3.249 36 HB2 ASP 7 2HB ASP 7 8.804 8.441 3.994 37 HB3 ASP 7 1HB ASP 7 8.233 9.046 5.551 38 H CYS 8 H CYS 8 4.484 9.432 3.441 39 HA CYS 8 HA CYS 8 2.892 8.362 5.372 40 HB2 CYS 8 2HB CYS 8 3.712 10.259 6.875 41 HB3 CYS 8 1HB CYS 8 3.119 11.401 5.669 42 H CYS 9 H CYS 9 0.566 9.753 4.954 43 HA CYS 9 HA CYS 9 0.681 10.152 2.059 44 HB2 CYS 9 2HB CYS 9 -0.344 7.947 2.589 45 HB3 CYS 9 1HB CYS 9 -1.597 8.786 3.518 46 H LEU 10 H LEU 10 -1.386 11.185 1.296 47 HA LEU 10 HA LEU 10 -1.897 13.559 2.854 48 HB2 LEU 10 2HB LEU 10 -2.904 12.749 0.125 49 HB3 LEU 10 1HB LEU 10 -3.082 14.325 0.869 50 HG LEU 10 HG LEU 10 -0.503 13.060 -0.036 51 HD11 LEU 10 1HD1 LEU 10 -2.073 15.389 -1.122 52 HD12 LEU 10 2HD1 LEU 10 -1.878 13.811 -1.879 53 HD13 LEU 10 3HD1 LEU 10 -0.485 14.875 -1.689 54 HD21 LEU 10 3HD2 LEU 10 0.529 15.213 0.523 55 HD22 LEU 10 1HD2 LEU 10 -0.138 14.416 1.946 56 HD23 LEU 10 2HD2 LEU 10 -1.003 15.766 1.210 57 H SER 11 H SER 11 -3.822 10.889 1.205 58 HA SER 11 HA SER 11 -5.615 10.604 3.314 59 HB2 SER 11 2HB SER 11 -6.317 12.909 2.644 60 HB3 SER 11 1HB SER 11 -6.588 12.336 1.008 61 HG SER 11 HG SER 11 -8.049 11.829 3.356 62 H VAL 12 H VAL 12 -7.417 9.173 2.562 63 HA VAL 12 HA VAL 12 -6.862 7.993 -0.045 64 HB VAL 12 HB VAL 12 -7.174 5.834 0.680 65 HG11 VAL 12 1HG1 VAL 12 -5.144 6.535 1.630 66 HG12 VAL 12 2HG1 VAL 12 -5.909 5.381 2.721 67 HG13 VAL 12 3HG1 VAL 12 -5.953 7.109 3.086 68 HG21 VAL 12 3HG2 VAL 12 -8.627 6.722 3.190 69 HG22 VAL 12 1HG2 VAL 12 -8.243 5.048 2.710 70 HG23 VAL 12 2HG2 VAL 12 -9.310 6.007 1.714 71 H THR 13 H THR 13 -8.914 7.355 -1.105 72 HA THR 13 HA THR 13 -11.183 8.704 0.114 73 HB THR 13 HB THR 13 -10.767 9.207 -2.308 74 HG1 THR 13 1HG THR 13 -12.790 9.542 -2.173 75 HG21 THR 13 3HG2 THR 13 -9.887 7.042 -3.002 76 HG22 THR 13 1HG2 THR 13 -11.248 7.519 -4.016 77 HG23 THR 13 2HG2 THR 13 -11.470 6.312 -2.749 78 H GLN 14 H GLN 14 -13.362 7.266 -0.459 79 HA GLN 14 HA GLN 14 -13.175 5.301 1.537 80 HB2 GLN 14 2HB GLN 14 -15.387 5.686 -0.482 81 HB3 GLN 14 1HB GLN 14 -15.488 4.690 0.962 82 HG2 GLN 14 2HG GLN 14 -15.130 6.632 2.365 83 HG3 GLN 14 1HG GLN 14 -14.960 7.642 0.933 84 HE21 GLN 14 1HE2 GLN 14 -16.625 8.933 1.531 85 HE22 GLN 14 2HE2 GLN 14 -18.288 8.445 1.458 86 H LYS 15 H LYS 15 -13.377 4.834 -1.998 87 HA LYS 15 HA LYS 15 -11.799 2.498 -1.534 88 HB2 LYS 15 2HB LYS 15 -14.324 1.952 -1.804 89 HB3 LYS 15 1HB LYS 15 -14.082 2.356 -3.495 90 HG2 LYS 15 2HG LYS 15 -12.445 0.435 -2.001 91 HG3 LYS 15 1HG LYS 15 -13.907 -0.113 -2.863 92 HD2 LYS 15 2HD LYS 15 -11.379 1.136 -4.023 93 HD3 LYS 15 1HD LYS 15 -11.810 -0.566 -4.133 94 HE2 LYS 15 2HE LYS 15 -13.353 1.729 -5.345 95 HE3 LYS 15 1HE LYS 15 -12.249 0.664 -6.203 96 HZ1 LYS 15 3HZ LYS 15 -14.767 -0.193 -4.862 97 HZ2 LYS 15 1HZ LYS 15 -13.689 -1.192 -5.706 98 HZ3 LYS 15 2HZ LYS 15 -14.549 0.011 -6.510 99 HA PRO 16 HA PRO 16 -9.899 5.474 -4.459 100 HB2 PRO 16 2HB PRO 16 -7.421 4.153 -4.216 101 HB3 PRO 16 1HB PRO 16 -7.966 5.583 -3.343 102 HG2 PRO 16 2HG PRO 16 -8.028 2.716 -2.435 103 HG3 PRO 16 1HG PRO 16 -7.726 4.171 -1.537 104 HD2 PRO 16 2HD PRO 16 -9.983 2.955 -1.314 105 HD3 PRO 16 1HD PRO 16 -9.869 4.697 -1.348 106 H ILE 17 H ILE 17 -8.307 2.278 -4.913 107 HA ILE 17 HA ILE 17 -9.250 2.272 -7.675 108 HB ILE 17 HB ILE 17 -7.041 2.113 -8.644 109 HG12 ILE 17 2HG1 ILE 17 -5.752 1.034 -6.828 110 HG13 ILE 17 1HG1 ILE 17 -4.920 2.456 -7.420 111 HG21 ILE 17 1HG2 ILE 17 -7.256 4.558 -6.970 112 HG22 ILE 17 2HG2 ILE 17 -7.901 4.288 -8.589 113 HG23 ILE 17 3HG2 ILE 17 -6.155 4.352 -8.330 114 HD11 ILE 17 3HD1 ILE 17 -6.471 2.210 -4.850 115 HD12 ILE 17 1HD1 ILE 17 -5.685 3.684 -5.418 116 HD13 ILE 17 2HD1 ILE 17 -4.717 2.264 -5.022 117 HA PRO 18 HA PRO 18 -8.947 -2.166 -7.345 118 HB2 PRO 18 2HB PRO 18 -7.080 -2.242 -9.658 119 HB3 PRO 18 1HB PRO 18 -8.617 -3.086 -9.437 120 HG2 PRO 18 2HG PRO 18 -8.461 -1.024 -11.084 121 HG3 PRO 18 1HG PRO 18 -9.873 -1.227 -10.028 122 HD2 PRO 18 2HD PRO 18 -7.521 0.578 -9.732 123 HD3 PRO 18 1HD PRO 18 -9.240 0.932 -9.434 124 H GLY 19 H GLY 19 -7.728 -3.404 -6.084 125 HA2 GLY 19 2HA GLY 19 -5.149 -2.477 -5.243 126 HA3 GLY 19 1HA GLY 19 -6.056 -3.820 -4.576 127 H TYR 20 H TYR 20 -5.953 -4.294 -7.805 128 HA TYR 20 HA TYR 20 -3.676 -6.051 -7.498 129 HB2 TYR 20 2HB TYR 20 -5.850 -6.030 -9.588 130 HB3 TYR 20 1HB TYR 20 -4.495 -7.164 -9.498 131 HD1 TYR 20 1HD TYR 20 -4.322 -8.756 -7.640 132 HD2 TYR 20 2HD TYR 20 -7.726 -6.272 -8.144 133 HE1 TYR 20 1HE TYR 20 -5.580 -10.188 -6.105 134 HE2 TYR 20 2HE TYR 20 -9.003 -7.695 -6.602 135 HH TYR 20 HH TYR 20 -8.924 -9.979 -5.842 136 H ILE 21 H ILE 21 -4.201 -2.988 -8.689 137 HA ILE 21 HA ILE 21 -2.308 -3.288 -10.922 138 HB ILE 21 HB ILE 21 -2.770 -0.955 -11.488 139 HG12 ILE 21 2HG1 ILE 21 -4.610 -0.928 -9.080 140 HG13 ILE 21 1HG1 ILE 21 -3.062 -0.097 -9.180 141 HG21 ILE 21 1HG2 ILE 21 -5.153 -1.148 -12.057 142 HG22 ILE 21 2HG2 ILE 21 -5.289 -2.519 -10.959 143 HG23 ILE 21 3HG2 ILE 21 -4.264 -2.635 -12.387 144 HD11 ILE 21 3HD1 ILE 21 -5.485 0.460 -10.879 145 HD12 ILE 21 1HD1 ILE 21 -3.940 1.306 -10.975 146 HD13 ILE 21 2HD1 ILE 21 -4.925 1.430 -9.517 147 H VAL 22 H VAL 22 -2.026 -3.098 -7.802 148 HA VAL 22 HA VAL 22 0.111 -1.150 -7.680 149 HB VAL 22 HB VAL 22 -1.383 -1.043 -5.832 150 HG11 VAL 22 1HG1 VAL 22 -2.446 -3.120 -5.901 151 HG12 VAL 22 2HG1 VAL 22 -1.696 -2.992 -4.304 152 HG13 VAL 22 3HG1 VAL 22 -0.956 -3.981 -5.579 153 HG21 VAL 22 3HG2 VAL 22 1.143 -2.434 -4.996 154 HG22 VAL 22 1HG2 VAL 22 0.086 -1.513 -3.926 155 HG23 VAL 22 2HG2 VAL 22 0.928 -0.706 -5.248 156 H ARG 23 H ARG 23 2.157 -1.508 -7.416 157 HA ARG 23 HA ARG 23 3.153 -4.101 -8.272 158 HB2 ARG 23 2HB ARG 23 3.898 -1.587 -8.978 159 HB3 ARG 23 1HB ARG 23 4.846 -1.741 -7.542 160 HG2 ARG 23 2HG ARG 23 5.069 -3.628 -9.885 161 HG3 ARG 23 1HG ARG 23 6.121 -2.259 -9.580 162 HD2 ARG 23 2HD ARG 23 6.851 -3.275 -7.490 163 HD3 ARG 23 1HD ARG 23 5.753 -4.625 -7.759 164 HE ARG 23 HE ARG 23 7.255 -4.587 -9.994 165 HH11 ARG 23 1HH1 ARG 23 8.091 -4.683 -6.564 166 HH12 ARG 23 2HH1 ARG 23 9.528 -5.578 -6.796 167 HH21 ARG 23 1HH2 ARG 23 9.197 -5.839 -10.312 168 HH22 ARG 23 2HH2 ARG 23 10.146 -6.275 -8.967 169 H ASN 24 H ASN 24 3.812 -1.723 -5.684 170 HA ASN 24 HA ASN 24 4.029 -3.805 -3.687 171 HB2 ASN 24 2HB ASN 24 6.232 -1.809 -4.258 172 HB3 ASN 24 1HB ASN 24 6.053 -2.571 -2.688 173 HD21 ASN 24 1HD2 ASN 24 6.429 -4.800 -2.520 174 HD22 ASN 24 2HD2 ASN 24 7.342 -5.649 -3.706 175 H PHE 25 H PHE 25 4.059 -2.790 -1.483 176 HA PHE 25 HA PHE 25 2.624 -0.234 -1.564 177 HB2 PHE 25 2HB PHE 25 1.013 -1.030 0.016 178 HB3 PHE 25 1HB PHE 25 0.964 -2.096 -1.361 179 HD1 PHE 25 1HD PHE 25 2.099 -4.354 -1.208 180 HD2 PHE 25 2HD PHE 25 1.524 -1.877 2.195 181 HE1 PHE 25 1HE PHE 25 2.478 -6.284 0.261 182 HE2 PHE 25 2HE PHE 25 1.909 -3.807 3.666 183 HZ PHE 25 HZ PHE 25 2.381 -5.995 2.711 184 H HIS 26 H HIS 26 2.652 0.848 0.490 185 HA HIS 26 HA HIS 26 4.554 -0.255 2.390 186 HB2 HIS 26 2HB HIS 26 4.449 2.688 1.607 187 HB3 HIS 26 1HB HIS 26 5.313 2.071 3.004 188 HD1 HIS 26 1HD HIS 26 5.913 3.008 -0.375 189 HD2 HIS 26 2HD HIS 26 7.288 -0.026 2.108 190 HE1 HIS 26 1HE HIS 26 7.985 2.154 -1.453 191 HE2 HIS 26 2HE HIS 26 8.708 0.216 -0.024 192 H TYR 27 H TYR 27 3.595 -0.740 4.148 193 HA TYR 27 HA TYR 27 0.935 0.270 4.702 194 HB2 TYR 27 2HB TYR 27 1.731 -2.143 4.806 195 HB3 TYR 27 1HB TYR 27 2.582 -1.652 6.279 196 HD1 TYR 27 2HD TYR 27 -0.712 -1.402 4.723 197 HD2 TYR 27 1HD TYR 27 1.466 -1.961 8.286 198 HE1 TYR 27 2HE TYR 27 -2.789 -1.689 5.872 199 HE2 TYR 27 1HE TYR 27 -0.630 -2.279 9.540 200 HH TYR 27 HH TYR 27 -3.556 -2.831 7.979 201 H LEU 28 H LEU 28 0.946 2.246 5.660 202 HA LEU 28 HA LEU 28 2.804 2.630 7.830 203 HB2 LEU 28 2HB LEU 28 3.325 3.923 5.826 204 HB3 LEU 28 1HB LEU 28 1.711 4.578 5.817 205 HG LEU 28 HG LEU 28 3.492 4.982 8.122 206 HD11 LEU 28 1HD1 LEU 28 4.798 5.703 6.185 207 HD12 LEU 28 2HD1 LEU 28 4.172 7.159 6.960 208 HD13 LEU 28 3HD1 LEU 28 3.390 6.528 5.515 209 HD21 LEU 28 3HD2 LEU 28 1.295 6.686 6.921 210 HD22 LEU 28 1HD2 LEU 28 2.242 7.117 8.345 211 HD23 LEU 28 2HD2 LEU 28 1.183 5.707 8.385 212 H LEU 29 H LEU 29 1.978 3.199 9.703 213 HA LEU 29 HA LEU 29 -0.880 3.904 9.877 214 HB2 LEU 29 2HB LEU 29 0.739 2.151 11.721 215 HB3 LEU 29 1HB LEU 29 -0.912 2.644 12.011 216 HG LEU 29 HG LEU 29 0.058 0.893 9.777 217 HD11 LEU 29 1HD1 LEU 29 -1.164 -0.882 10.989 218 HD12 LEU 29 2HD1 LEU 29 -1.483 0.264 12.289 219 HD13 LEU 29 3HD1 LEU 29 0.174 -0.220 11.929 220 HD21 LEU 29 3HD2 LEU 29 -1.903 2.169 9.091 221 HD22 LEU 29 1HD2 LEU 29 -2.754 1.685 10.556 222 HD23 LEU 29 2HD2 LEU 29 -2.337 0.478 9.341 223 H ILE 30 H ILE 30 -1.179 4.699 12.352 224 HA ILE 30 HA ILE 30 0.508 6.987 12.668 225 HB ILE 30 HB ILE 30 -1.455 5.830 14.702 226 HG12 ILE 30 2HG1 ILE 30 -1.912 7.964 12.593 227 HG13 ILE 30 1HG1 ILE 30 -2.527 6.322 12.511 228 HG21 ILE 30 1HG2 ILE 30 0.172 7.453 15.609 229 HG22 ILE 30 2HG2 ILE 30 -1.470 8.125 15.627 230 HG23 ILE 30 3HG2 ILE 30 -0.297 8.615 14.396 231 HD11 ILE 30 3HD1 ILE 30 -4.251 7.876 13.216 232 HD12 ILE 30 1HD1 ILE 30 -3.253 8.383 14.580 233 HD13 ILE 30 2HD1 ILE 30 -3.878 6.735 14.508 234 H LYS 31 H LYS 31 0.534 3.769 13.657 235 HA LYS 31 HA LYS 31 2.161 3.845 15.945 236 HB2 LYS 31 2HB LYS 31 1.989 1.684 13.829 237 HB3 LYS 31 1HB LYS 31 2.625 1.484 15.458 238 HG2 LYS 31 2HG LYS 31 0.424 2.005 16.388 239 HG3 LYS 31 1HG LYS 31 -0.215 2.205 14.760 240 HD2 LYS 31 2HD LYS 31 -0.826 0.031 15.615 241 HD3 LYS 31 1HD LYS 31 0.332 -0.162 14.300 242 HE2 LYS 31 2HE LYS 31 2.131 -0.513 15.901 243 HE3 LYS 31 1HE LYS 31 1.018 -0.216 17.237 244 HZ1 LYS 31 3HZ LYS 31 0.881 -2.466 15.308 245 HZ2 LYS 31 1HZ LYS 31 -0.225 -2.187 16.557 246 HZ3 LYS 31 2HZ LYS 31 1.380 -2.546 16.915 247 H ASP 32 H ASP 32 2.838 3.953 12.515 248 HA ASP 32 HA ASP 32 5.666 3.821 12.665 249 HB2 ASP 32 2HB ASP 32 3.832 5.098 10.618 250 HB3 ASP 32 1HB ASP 32 5.570 4.937 10.419 251 H GLY 33 H GLY 33 3.453 6.546 12.196 252 HA2 GLY 33 2HA GLY 33 3.915 8.242 14.053 253 HA3 GLY 33 1HA GLY 33 5.507 8.327 13.344 254 H CYS 34 H CYS 34 2.097 8.634 12.603 255 HA CYS 34 HA CYS 34 2.282 11.188 11.573 256 HB2 CYS 34 2HB CYS 34 3.288 9.930 9.604 257 HB3 CYS 34 1HB CYS 34 1.767 9.053 9.459 258 H ARG 35 H ARG 35 0.184 11.982 11.437 259 HA ARG 35 HA ARG 35 -1.603 10.384 12.969 260 HB2 ARG 35 2HB ARG 35 -1.462 12.707 13.539 261 HB3 ARG 35 1HB ARG 35 -1.903 13.188 11.912 262 HG2 ARG 35 2HG ARG 35 -4.138 12.463 12.205 263 HG3 ARG 35 1HG ARG 35 -3.742 11.645 13.714 264 HD2 ARG 35 2HD ARG 35 -3.491 14.610 13.290 265 HD3 ARG 35 1HD ARG 35 -4.924 13.848 13.975 266 HE ARG 35 HE ARG 35 -2.356 13.304 15.240 267 HH11 ARG 35 1HH1 ARG 35 -5.445 15.013 15.348 268 HH12 ARG 35 2HH1 ARG 35 -5.343 15.366 17.007 269 HH21 ARG 35 1HH2 ARG 35 -2.220 13.798 17.508 270 HH22 ARG 35 2HH2 ARG 35 -3.490 14.649 18.274 271 H VAL 36 H VAL 36 -1.322 10.824 9.615 272 HA VAL 36 HA VAL 36 -3.969 9.658 9.344 273 HB VAL 36 HB VAL 36 -3.837 11.648 7.981 274 HG11 VAL 36 1HG1 VAL 36 -2.208 11.952 6.188 275 HG12 VAL 36 2HG1 VAL 36 -1.372 10.494 6.722 276 HG13 VAL 36 3HG1 VAL 36 -1.458 11.897 7.787 277 HG21 VAL 36 3HG2 VAL 36 -4.250 10.789 5.708 278 HG22 VAL 36 1HG2 VAL 36 -5.071 9.828 6.938 279 HG23 VAL 36 2HG2 VAL 36 -3.589 9.227 6.191 280 HA PRO 37 HA PRO 37 -1.577 5.946 8.624 281 HB2 PRO 37 2HB PRO 37 -3.473 4.210 9.436 282 HB3 PRO 37 1HB PRO 37 -2.514 5.145 10.588 283 HG2 PRO 37 2HG PRO 37 -5.327 5.545 9.708 284 HG3 PRO 37 1HG PRO 37 -4.591 5.849 11.289 285 HD2 PRO 37 2HD PRO 37 -5.131 7.769 9.323 286 HD3 PRO 37 1HD PRO 37 -4.062 7.982 10.725 287 H ALA 38 H ALA 38 -1.437 4.915 6.707 288 HA ALA 38 HA ALA 38 -3.713 4.102 5.240 289 HB1 ALA 38 1HB ALA 38 -2.122 6.406 4.120 290 HB2 ALA 38 2HB ALA 38 -3.775 6.499 4.743 291 HB3 ALA 38 3HB ALA 38 -3.427 5.520 3.321 292 H VAL 39 H VAL 39 -3.133 2.756 3.563 293 HA VAL 39 HA VAL 39 -0.298 2.168 3.469 294 HB VAL 39 HB VAL 39 -1.684 0.209 3.991 295 HG11 VAL 39 1HG1 VAL 39 -3.785 0.864 2.963 296 HG12 VAL 39 2HG1 VAL 39 -3.263 -0.739 2.430 297 HG13 VAL 39 3HG1 VAL 39 -3.057 0.644 1.359 298 HG21 VAL 39 3HG2 VAL 39 -0.935 -1.320 2.231 299 HG22 VAL 39 1HG2 VAL 39 0.325 -0.172 2.694 300 HG23 VAL 39 2HG2 VAL 39 -0.578 0.070 1.200 301 H VAL 40 H VAL 40 0.835 2.914 1.826 302 HA VAL 40 HA VAL 40 -0.655 4.083 -0.317 303 HB VAL 40 HB VAL 40 1.301 5.149 -1.011 304 HG11 VAL 40 1HG1 VAL 40 2.122 6.355 0.960 305 HG12 VAL 40 2HG1 VAL 40 1.313 5.166 1.981 306 HG13 VAL 40 3HG1 VAL 40 0.368 6.196 0.902 307 HG21 VAL 40 3HG2 VAL 40 2.859 3.334 0.783 308 HG22 VAL 40 1HG2 VAL 40 3.565 4.739 -0.056 309 HG23 VAL 40 2HG2 VAL 40 2.868 3.400 -0.983 310 H PHE 41 H PHE 41 -0.976 3.168 -2.166 311 HA PHE 41 HA PHE 41 0.417 0.708 -2.748 312 HB2 PHE 41 2HB PHE 41 -2.085 1.957 -3.842 313 HB3 PHE 41 1HB PHE 41 -1.334 0.594 -4.626 314 HD1 PHE 41 2HD PHE 41 -0.530 -0.973 -2.169 315 HD2 PHE 41 1HD PHE 41 -4.118 1.095 -3.138 316 HE1 PHE 41 2HE PHE 41 -1.782 -2.515 -0.750 317 HE2 PHE 41 1HE PHE 41 -5.387 -0.446 -1.699 318 HZ PHE 41 HZ PHE 41 -4.202 -2.270 -0.509 319 H THR 42 H THR 42 2.171 0.889 -3.889 320 HA THR 42 HA THR 42 2.587 3.092 -5.680 321 HB THR 42 HB THR 42 4.194 0.574 -5.139 322 HG1 THR 42 1HG THR 42 5.240 2.990 -4.404 323 HG21 THR 42 3HG2 THR 42 6.061 1.746 -6.276 324 HG22 THR 42 1HG2 THR 42 4.961 3.061 -6.705 325 HG23 THR 42 2HG2 THR 42 4.707 1.441 -7.365 326 H THR 43 H THR 43 1.310 3.028 -7.445 327 HA THR 43 HA THR 43 0.457 0.581 -8.600 328 HB THR 43 HB THR 43 -0.622 2.027 -10.305 329 HG1 THR 43 1HG THR 43 -0.464 4.370 -9.536 330 HG21 THR 43 3HG2 THR 43 -0.976 3.000 -7.471 331 HG22 THR 43 1HG2 THR 43 -1.738 1.559 -8.142 332 HG23 THR 43 2HG2 THR 43 -2.157 3.162 -8.760 333 H LEU 44 H LEU 44 0.649 0.348 -11.124 334 HA LEU 44 HA LEU 44 3.248 -0.386 -11.690 335 HB2 LEU 44 2HB LEU 44 0.960 0.168 -13.564 336 HB3 LEU 44 1HB LEU 44 2.419 -0.714 -13.932 337 HG LEU 44 HG LEU 44 0.329 -1.561 -11.928 338 HD11 LEU 44 1HD1 LEU 44 -0.486 -1.724 -14.201 339 HD12 LEU 44 2HD1 LEU 44 -0.201 -3.325 -13.521 340 HD13 LEU 44 3HD1 LEU 44 0.949 -2.641 -14.667 341 HD21 LEU 44 3HD2 LEU 44 2.529 -2.352 -11.276 342 HD22 LEU 44 1HD2 LEU 44 2.811 -2.987 -12.900 343 HD23 LEU 44 2HD2 LEU 44 1.559 -3.690 -11.874 344 H ARG 45 H ARG 45 1.583 2.561 -12.265 345 HA ARG 45 HA ARG 45 3.441 3.722 -14.115 346 HB2 ARG 45 2HB ARG 45 1.111 4.439 -14.035 347 HB3 ARG 45 1HB ARG 45 1.306 4.977 -12.379 348 HG2 ARG 45 2HG ARG 45 1.275 6.847 -13.919 349 HG3 ARG 45 1HG ARG 45 2.841 6.729 -13.124 350 HD2 ARG 45 2HD ARG 45 3.746 5.629 -15.134 351 HD3 ARG 45 1HD ARG 45 2.173 5.795 -15.919 352 HE ARG 45 HE ARG 45 3.106 8.270 -14.954 353 HH11 ARG 45 1HH1 ARG 45 3.570 5.991 -17.616 354 HH12 ARG 45 2HH1 ARG 45 4.103 7.124 -18.737 355 HH21 ARG 45 1HH2 ARG 45 3.879 9.902 -16.486 356 HH22 ARG 45 2HH2 ARG 45 4.317 9.431 -18.057 357 H GLY 46 H GLY 46 3.582 3.193 -10.742 358 HA2 GLY 46 2HA GLY 46 5.469 3.675 -9.441 359 HA3 GLY 46 1HA GLY 46 5.906 4.954 -10.571 360 H ARG 47 H ARG 47 2.652 4.821 -9.597 361 HA ARG 47 HA ARG 47 3.063 7.283 -8.076 362 HB2 ARG 47 2HB ARG 47 0.623 6.101 -9.349 363 HB3 ARG 47 1HB ARG 47 0.581 7.544 -8.356 364 HG2 ARG 47 2HG ARG 47 2.103 8.632 -9.940 365 HG3 ARG 47 1HG ARG 47 2.069 7.183 -10.951 366 HD2 ARG 47 2HD ARG 47 -0.330 7.426 -11.241 367 HD3 ARG 47 1HD ARG 47 -0.332 8.848 -10.193 368 HE ARG 47 HE ARG 47 1.463 9.299 -12.272 369 HH11 ARG 47 1HH1 ARG 47 -2.014 8.901 -11.824 370 HH12 ARG 47 2HH1 ARG 47 -2.459 9.862 -13.152 371 HH21 ARG 47 1HH2 ARG 47 0.874 10.604 -14.133 372 HH22 ARG 47 2HH2 ARG 47 -0.760 10.844 -14.519 373 H GLN 48 H GLN 48 2.987 7.199 -5.950 374 HA GLN 48 HA GLN 48 1.780 4.963 -4.631 375 HB2 GLN 48 2HB GLN 48 3.160 7.442 -3.620 376 HB3 GLN 48 1HB GLN 48 2.215 6.459 -2.527 377 HG2 GLN 48 2HG GLN 48 4.461 5.844 -2.215 378 HG3 GLN 48 1HG GLN 48 3.729 4.538 -3.117 379 HE21 GLN 48 1HE2 GLN 48 6.451 5.284 -2.721 380 HE22 GLN 48 2HE2 GLN 48 7.183 5.522 -4.263 381 H LEU 49 H LEU 49 -0.221 4.817 -4.124 382 HA LEU 49 HA LEU 49 -1.808 7.240 -3.674 383 HB2 LEU 49 2HB LEU 49 -2.179 6.474 -6.003 384 HB3 LEU 49 1HB LEU 49 -2.645 4.903 -5.376 385 HG LEU 49 HG LEU 49 -4.642 5.847 -4.353 386 HD11 LEU 49 1HD1 LEU 49 -3.691 8.483 -5.488 387 HD12 LEU 49 2HD1 LEU 49 -3.775 8.061 -3.778 388 HD13 LEU 49 3HD1 LEU 49 -5.256 8.191 -4.725 389 HD21 LEU 49 3HD2 LEU 49 -4.748 5.123 -6.680 390 HD22 LEU 49 1HD2 LEU 49 -4.306 6.746 -7.204 391 HD23 LEU 49 2HD2 LEU 49 -5.835 6.482 -6.373 392 H CYS 50 H CYS 50 -3.003 7.070 -1.808 393 HA CYS 50 HA CYS 50 -2.545 4.672 -0.338 394 HB2 CYS 50 2HB CYS 50 -3.866 7.227 0.305 395 HB3 CYS 50 1HB CYS 50 -3.162 6.085 1.459 396 H ALA 51 H ALA 51 -4.071 3.444 0.658 397 HA ALA 51 HA ALA 51 -6.887 3.863 0.014 398 HB1 ALA 51 1HB ALA 51 -7.150 1.489 -0.473 399 HB2 ALA 51 2HB ALA 51 -5.431 1.205 -0.145 400 HB3 ALA 51 3HB ALA 51 -5.937 2.190 -1.520 401 HA PRO 52 HA PRO 52 -7.588 3.233 4.261 402 HB2 PRO 52 2HB PRO 52 -9.804 1.699 4.446 403 HB3 PRO 52 1HB PRO 52 -9.860 3.367 3.861 404 HG2 PRO 52 2HG PRO 52 -9.794 0.811 2.289 405 HG3 PRO 52 1HG PRO 52 -10.849 2.204 2.039 406 HD2 PRO 52 2HD PRO 52 -8.687 1.721 0.607 407 HD3 PRO 52 1HD PRO 52 -9.187 3.381 0.947 408 HA PRO 53 HA PRO 53 -5.052 -0.459 4.681 409 HB2 PRO 53 2HB PRO 53 -4.169 0.025 7.211 410 HB3 PRO 53 1HB PRO 53 -3.527 0.825 5.773 411 HG2 PRO 53 2HG PRO 53 -5.546 1.811 7.748 412 HG3 PRO 53 1HG PRO 53 -4.192 2.682 7.007 413 HD2 PRO 53 2HD PRO 53 -6.733 2.970 6.154 414 HD3 PRO 53 1HD PRO 53 -5.363 3.067 5.039 415 H ASP 54 H ASP 54 -7.702 0.235 6.820 416 HA ASP 54 HA ASP 54 -7.452 -2.433 8.030 417 HB2 ASP 54 2HB ASP 54 -7.595 -0.626 9.656 418 HB3 ASP 54 1HB ASP 54 -9.069 -0.036 8.911 419 H GLN 55 H GLN 55 -9.171 -0.820 5.659 420 HA GLN 55 HA GLN 55 -11.682 -2.011 6.090 421 HB2 GLN 55 2HB GLN 55 -10.581 -0.636 3.664 422 HB3 GLN 55 1HB GLN 55 -12.233 -1.233 3.767 423 HG2 GLN 55 2HG GLN 55 -10.995 0.762 5.637 424 HG3 GLN 55 1HG GLN 55 -12.085 1.169 4.304 425 HE21 GLN 55 1HE2 GLN 55 -14.232 0.593 4.508 426 HE22 GLN 55 2HE2 GLN 55 -14.951 0.232 6.045 427 HA PRO 56 HA PRO 56 -11.632 -6.164 4.893 428 HB2 PRO 56 2HB PRO 56 -13.983 -5.365 3.234 429 HB3 PRO 56 1HB PRO 56 -13.799 -6.751 4.312 430 HG2 PRO 56 2HG PRO 56 -15.132 -4.665 5.171 431 HG3 PRO 56 1HG PRO 56 -13.939 -5.422 6.238 432 HD2 PRO 56 2HD PRO 56 -13.747 -2.884 4.692 433 HD3 PRO 56 1HD PRO 56 -13.131 -3.290 6.309 434 H TRP 57 H TRP 57 -12.133 -3.959 2.113 435 HA TRP 57 HA TRP 57 -11.439 -6.056 0.303 436 HB2 TRP 57 2HB TRP 57 -11.689 -4.478 -1.501 437 HB3 TRP 57 1HB TRP 57 -12.964 -4.149 -0.344 438 HD1 TRP 57 HD1 TRP 57 -12.650 -1.776 1.131 439 HE1 TRP 57 1HE TRP 57 -11.406 0.362 0.504 440 HE3 TRP 57 3HE TRP 57 -9.799 -3.575 -2.731 441 HZ2 TRP 57 2HZ TRP 57 -9.451 1.193 -1.369 442 HZ3 TRP 57 3HZ TRP 57 -8.274 -2.008 -3.881 443 HH2 TRP 57 HH2 TRP 57 -8.121 0.312 -3.209 444 H VAL 58 H VAL 58 -9.682 -3.559 1.953 445 HA VAL 58 HA VAL 58 -7.378 -3.708 0.275 446 HB VAL 58 HB VAL 58 -7.813 -2.261 2.911 447 HG11 VAL 58 1HG1 VAL 58 -5.418 -2.155 1.083 448 HG12 VAL 58 2HG1 VAL 58 -5.450 -2.876 2.689 449 HG13 VAL 58 3HG1 VAL 58 -5.684 -1.137 2.498 450 HG21 VAL 58 3HG2 VAL 58 -7.510 -1.260 0.083 451 HG22 VAL 58 1HG2 VAL 58 -7.713 -0.255 1.506 452 HG23 VAL 58 2HG2 VAL 58 -9.005 -1.327 1.002 453 H GLU 59 H GLU 59 -8.280 -5.084 3.397 454 HA GLU 59 HA GLU 59 -5.737 -5.945 4.128 455 HB2 GLU 59 2HB GLU 59 -6.803 -7.645 5.559 456 HB3 GLU 59 1HB GLU 59 -7.542 -6.062 5.728 457 HG2 GLU 59 2HG GLU 59 -9.418 -6.760 4.398 458 HG3 GLU 59 1HG GLU 59 -8.646 -8.314 4.080 459 H ARG 60 H ARG 60 -7.976 -7.425 1.905 460 HA ARG 60 HA ARG 60 -6.624 -9.928 1.641 461 HB2 ARG 60 2HB ARG 60 -8.469 -8.543 -0.291 462 HB3 ARG 60 1HB ARG 60 -7.922 -10.205 -0.435 463 HG2 ARG 60 2HG ARG 60 -9.605 -9.076 1.786 464 HG3 ARG 60 1HG ARG 60 -10.171 -10.064 0.436 465 HD2 ARG 60 2HD ARG 60 -8.717 -11.904 1.219 466 HD3 ARG 60 1HD ARG 60 -8.247 -10.912 2.602 467 HE ARG 60 HE ARG 60 -11.049 -11.128 2.352 468 HH11 ARG 60 1HH1 ARG 60 -8.214 -12.836 3.623 469 HH12 ARG 60 2HH1 ARG 60 -9.102 -13.783 4.708 470 HH21 ARG 60 1HH2 ARG 60 -12.262 -12.419 3.859 471 HH22 ARG 60 2HH2 ARG 60 -11.467 -13.549 4.843 472 H ILE 61 H ILE 61 -6.617 -7.026 -0.417 473 HA ILE 61 HA ILE 61 -4.758 -8.078 -2.247 474 HB ILE 61 HB ILE 61 -4.419 -5.657 -2.950 475 HG12 ILE 61 2HG1 ILE 61 -6.590 -5.247 -0.893 476 HG13 ILE 61 1HG1 ILE 61 -4.949 -4.630 -0.794 477 HG21 ILE 61 1HG2 ILE 61 -6.707 -5.532 -3.963 478 HG22 ILE 61 2HG2 ILE 61 -7.201 -6.838 -2.889 479 HG23 ILE 61 3HG2 ILE 61 -5.967 -7.120 -4.110 480 HD11 ILE 61 3HD1 ILE 61 -7.047 -3.853 -2.794 481 HD12 ILE 61 1HD1 ILE 61 -5.387 -3.234 -2.742 482 HD13 ILE 61 2HD1 ILE 61 -6.501 -2.900 -1.421 483 H ILE 62 H ILE 62 -4.303 -6.243 0.678 484 HA ILE 62 HA ILE 62 -1.526 -5.884 0.458 485 HB ILE 62 HB ILE 62 -3.161 -6.364 2.976 486 HG12 ILE 62 2HG1 ILE 62 -2.164 -3.801 1.711 487 HG13 ILE 62 1HG1 ILE 62 -3.829 -4.357 1.746 488 HG21 ILE 62 1HG2 ILE 62 -1.266 -5.360 4.199 489 HG22 ILE 62 2HG2 ILE 62 -0.339 -5.316 2.700 490 HG23 ILE 62 3HG2 ILE 62 -0.816 -6.864 3.394 491 HD11 ILE 62 3HD1 ILE 62 -3.853 -4.166 4.181 492 HD12 ILE 62 1HD1 ILE 62 -3.433 -2.631 3.420 493 HD13 ILE 62 2HD1 ILE 62 -2.173 -3.625 4.150 494 H GLN 63 H GLN 63 -3.397 -8.607 1.796 495 HA GLN 63 HA GLN 63 -1.263 -10.278 2.540 496 HB2 GLN 63 2HB GLN 63 -3.959 -11.094 1.429 497 HB3 GLN 63 1HB GLN 63 -2.826 -12.178 2.202 498 HG2 GLN 63 2HG GLN 63 -4.233 -9.857 3.499 499 HG3 GLN 63 1HG GLN 63 -4.648 -11.558 3.682 500 HE21 GLN 63 1HE2 GLN 63 -3.280 -12.887 4.874 501 HE22 GLN 63 2HE2 GLN 63 -2.118 -12.237 5.974 502 H ARG 64 H ARG 64 -2.980 -9.922 -0.497 503 HA ARG 64 HA ARG 64 -1.783 -11.944 -1.962 504 HB2 ARG 64 2HB ARG 64 -3.827 -10.609 -2.609 505 HB3 ARG 64 1HB ARG 64 -2.779 -9.268 -3.003 506 HG2 ARG 64 2HG ARG 64 -2.653 -11.950 -4.385 507 HG3 ARG 64 1HG ARG 64 -3.655 -10.622 -4.948 508 HD2 ARG 64 2HD ARG 64 -1.651 -9.258 -5.278 509 HD3 ARG 64 1HD ARG 64 -0.648 -10.565 -4.653 510 HE ARG 64 HE ARG 64 -2.033 -11.691 -6.700 511 HH11 ARG 64 1HH1 ARG 64 -0.000 -8.813 -6.490 512 HH12 ARG 64 2HH1 ARG 64 0.670 -8.985 -8.023 513 HH21 ARG 64 1HH2 ARG 64 -1.117 -11.937 -8.866 514 HH22 ARG 64 2HH2 ARG 64 0.028 -10.809 -9.412 515 H LEU 65 H LEU 65 -0.758 -8.491 -1.692 516 HA LEU 65 HA LEU 65 1.584 -8.985 -3.209 517 HB2 LEU 65 2HB LEU 65 0.864 -6.714 -1.383 518 HB3 LEU 65 1HB LEU 65 2.345 -6.769 -2.314 519 HG LEU 65 HG LEU 65 -0.456 -6.676 -3.442 520 HD11 LEU 65 1HD1 LEU 65 0.209 -4.602 -2.462 521 HD12 LEU 65 2HD1 LEU 65 0.282 -4.430 -4.230 522 HD13 LEU 65 3HD1 LEU 65 1.752 -4.641 -3.300 523 HD21 LEU 65 3HD2 LEU 65 2.228 -6.682 -4.829 524 HD22 LEU 65 1HD2 LEU 65 0.684 -6.366 -5.600 525 HD23 LEU 65 2HD2 LEU 65 1.009 -7.958 -4.915 526 H GLN 66 H GLN 66 0.885 -9.210 0.233 527 HA GLN 66 HA GLN 66 3.605 -9.318 0.982 528 HB2 GLN 66 2HB GLN 66 1.220 -10.435 2.457 529 HB3 GLN 66 1HB GLN 66 2.850 -10.358 3.111 530 HG2 GLN 66 2HG GLN 66 2.813 -7.937 2.819 531 HG3 GLN 66 1HG GLN 66 1.129 -8.035 2.299 532 HE21 GLN 66 1HE2 GLN 66 -0.422 -8.691 3.836 533 HE22 GLN 66 2HE2 GLN 66 -0.132 -8.543 5.519 534 H ARG 67 H ARG 67 1.537 -11.672 -0.381 535 HA ARG 67 HA ARG 67 3.102 -13.939 0.319 536 HB2 ARG 67 2HB ARG 67 1.322 -13.550 -2.107 537 HB3 ARG 67 1HB ARG 67 1.963 -15.089 -1.556 538 HG2 ARG 67 2HG ARG 67 0.033 -13.331 -0.042 539 HG3 ARG 67 1HG ARG 67 -0.369 -14.817 -0.899 540 HD2 ARG 67 2HD ARG 67 1.524 -14.620 1.454 541 HD3 ARG 67 1HD ARG 67 -0.154 -15.142 1.543 542 HE ARG 67 HE ARG 67 0.835 -16.823 -0.272 543 HH11 ARG 67 1HH1 ARG 67 2.111 -15.904 2.880 544 HH12 ARG 67 2HH1 ARG 67 2.808 -17.417 3.204 545 HH21 ARG 67 1HH2 ARG 67 1.751 -18.859 0.136 546 HH22 ARG 67 2HH2 ARG 67 2.607 -19.184 1.585 547 H THR 68 H THR 68 3.287 -11.581 -2.280 548 HA THR 68 HA THR 68 5.463 -12.867 -3.615 549 HB THR 68 HB THR 68 4.633 -10.170 -3.692 550 HG1 THR 68 1HG THR 68 3.580 -12.495 -4.993 551 HG21 THR 68 3HG2 THR 68 5.958 -11.865 -5.807 552 HG22 THR 68 1HG2 THR 68 6.662 -10.510 -4.929 553 HG23 THR 68 2HG2 THR 68 5.410 -10.219 -6.135 554 H SER 69 H SER 69 5.084 -10.798 -1.008 555 HA SER 69 HA SER 69 7.822 -9.845 -1.067 556 HB2 SER 69 2HB SER 69 5.929 -8.426 -0.162 557 HB3 SER 69 1HB SER 69 5.791 -9.565 1.174 558 HG SER 69 HG SER 69 7.169 -8.222 2.052 559 H ALA 70 H ALA 70 5.932 -12.361 0.401 560 HA ALA 70 HA ALA 70 7.934 -13.270 2.238 561 HB1 ALA 70 1HB ALA 70 6.508 -15.266 2.450 562 HB2 ALA 70 2HB ALA 70 5.540 -14.726 1.080 563 HB3 ALA 70 3HB ALA 70 5.549 -13.793 2.577 564 H LYS 71 H LYS 71 6.629 -14.688 -0.782 565 HA LYS 71 HA LYS 71 9.248 -15.855 -1.236 566 HB2 LYS 71 2HB LYS 71 7.368 -17.281 -1.502 567 HB3 LYS 71 1HB LYS 71 6.612 -16.225 -2.708 568 HG2 LYS 71 2HG LYS 71 8.592 -16.678 -4.182 569 HG3 LYS 71 1HG LYS 71 9.175 -17.825 -2.980 570 HD2 LYS 71 2HD LYS 71 6.551 -17.998 -4.470 571 HD3 LYS 71 1HD LYS 71 7.993 -18.951 -4.808 572 HE2 LYS 71 2HE LYS 71 6.399 -19.010 -2.239 573 HE3 LYS 71 1HE LYS 71 6.336 -20.219 -3.512 574 HZ1 LYS 71 3HZ LYS 71 7.752 -20.921 -1.701 575 HZ2 LYS 71 1HZ LYS 71 8.726 -19.572 -1.854 576 HZ3 LYS 71 2HZ LYS 71 8.667 -20.723 -3.094 577 H MET 72 H MET 72 10.307 -14.153 -1.634 578 HA MET 72 HA MET 72 9.458 -11.844 -2.946 579 HB2 MET 72 2HB MET 72 11.323 -11.802 -1.394 580 HB3 MET 72 1HB MET 72 12.285 -12.769 -2.498 581 HG2 MET 72 2HG MET 72 12.932 -10.423 -2.576 582 HG3 MET 72 1HG MET 72 12.283 -10.965 -4.122 583 HE1 MET 72 3HE MET 72 11.585 -8.863 -0.855 584 HE2 MET 72 1HE MET 72 10.258 -10.026 -0.839 585 HE3 MET 72 2HE MET 72 9.930 -8.319 -1.134 586 H LYS 73 H LYS 73 9.200 -11.269 -4.880 587 HA LYS 73 HA LYS 73 9.285 -11.021 -7.091 588 HB2 LYS 73 2HB LYS 73 11.646 -10.525 -6.627 589 HB3 LYS 73 1HB LYS 73 12.038 -12.220 -6.805 590 HG2 LYS 73 2HG LYS 73 11.499 -12.121 -9.170 591 HG3 LYS 73 1HG LYS 73 10.980 -10.439 -8.997 592 HD2 LYS 73 2HD LYS 73 13.239 -9.821 -8.254 593 HD3 LYS 73 1HD LYS 73 13.754 -11.492 -8.449 594 HE2 LYS 73 2HE LYS 73 13.326 -11.371 -10.837 595 HE3 LYS 73 1HE LYS 73 12.708 -9.730 -10.655 596 HZ1 LYS 73 3HZ LYS 73 14.868 -9.001 -9.949 597 HZ2 LYS 73 1HZ LYS 73 15.043 -9.767 -11.423 598 HZ3 LYS 73 2HZ LYS 73 15.501 -10.546 -10.011 599 H ARG 74 H ARG 74 11.138 -13.978 -7.133 600 HA ARG 74 HA ARG 74 8.844 -15.311 -8.387 601 HB2 ARG 74 2HB ARG 74 10.105 -14.445 -10.243 602 HB3 ARG 74 1HB ARG 74 11.599 -15.073 -9.582 603 HG2 ARG 74 2HG ARG 74 10.816 -16.396 -11.477 604 HG3 ARG 74 1HG ARG 74 10.857 -17.348 -9.998 605 HD2 ARG 74 2HD ARG 74 8.439 -17.043 -9.745 606 HD3 ARG 74 1HD ARG 74 8.408 -16.087 -11.233 607 HE ARG 74 HE ARG 74 9.456 -18.247 -12.191 608 HH11 ARG 74 1HH1 ARG 74 6.826 -18.072 -9.830 609 HH12 ARG 74 2HH1 ARG 74 6.142 -19.558 -10.289 610 HH21 ARG 74 1HH2 ARG 74 8.507 -20.257 -12.832 611 HH22 ARG 74 2HH2 ARG 74 7.113 -20.842 -12.049 612 H ARG 75 H ARG 75 12.130 -15.725 -7.190 613 HA ARG 75 HA ARG 75 11.396 -18.456 -6.284 614 HB2 ARG 75 2HB ARG 75 13.702 -19.157 -6.947 615 HB3 ARG 75 1HB ARG 75 12.695 -18.678 -8.305 616 HG2 ARG 75 2HG ARG 75 13.804 -16.470 -8.312 617 HG3 ARG 75 1HG ARG 75 14.841 -17.015 -7.000 618 HD2 ARG 75 2HD ARG 75 14.665 -18.282 -9.726 619 HD3 ARG 75 1HD ARG 75 15.928 -17.171 -9.208 620 HE ARG 75 HE ARG 75 15.864 -19.232 -7.376 621 HH11 ARG 75 1HH1 ARG 75 16.565 -18.802 -10.809 622 HH12 ARG 75 2HH1 ARG 75 17.632 -20.125 -10.909 623 HH21 ARG 75 1HH2 ARG 75 17.323 -21.052 -7.510 624 HH22 ARG 75 2HH2 ARG 75 18.062 -21.441 -8.990 625 H SER 76 H SER 76 11.358 -16.021 -4.797 626 HA SER 76 HA SER 76 11.907 -15.156 -2.811 627 HB2 SER 76 2HB SER 76 14.048 -17.314 -2.603 628 HB3 SER 76 1HB SER 76 13.572 -16.240 -1.289 629 HG SER 76 HG SER 76 12.010 -18.185 -2.611 630 H SER 77 H SER 77 13.409 -15.144 -5.493 631 HA SER 77 HA SER 77 14.782 -12.761 -5.219 632 HB2 SER 77 2HB SER 77 16.408 -15.262 -5.921 633 HB3 SER 77 1HB SER 77 17.000 -13.603 -5.947 634 HG SER 77 HG SER 77 15.979 -14.063 -3.574 Start of MODEL 7 1 H1 GLY 1 1HT GLY 1 1.995 16.689 -6.377 2 H2 GLY 1 2HT GLY 1 1.509 15.146 -6.896 3 H3 GLY 1 3HT GLY 1 3.037 15.772 -7.330 4 HA2 GLY 1 1HA GLY 1 2.172 15.188 -4.580 5 HA3 GLY 1 2HA GLY 1 3.243 14.173 -5.544 6 H THR 2 H THR 2 4.503 14.759 -3.462 7 HA THR 2 HA THR 2 6.277 15.711 -2.513 8 HB THR 2 HB THR 2 6.753 17.038 -5.206 9 HG1 THR 2 1HG THR 2 6.794 14.489 -4.504 10 HG21 THR 2 3HG2 THR 2 8.657 16.448 -2.916 11 HG22 THR 2 1HG2 THR 2 8.057 18.046 -3.365 12 HG23 THR 2 2HG2 THR 2 9.102 17.155 -4.469 13 H ASN 3 H ASN 3 5.287 16.895 -0.989 14 HA ASN 3 HA ASN 3 5.393 19.753 -1.333 15 HB2 ASN 3 2HB ASN 3 3.134 19.221 -2.179 16 HB3 ASN 3 1HB ASN 3 2.752 18.443 -0.645 17 HD21 ASN 3 1HD2 ASN 3 1.072 19.855 -0.181 18 HD22 ASN 3 2HD2 ASN 3 1.353 21.505 0.231 19 H ASP 4 H ASP 4 4.248 17.098 0.726 20 HA ASP 4 HA ASP 4 4.992 18.667 3.066 21 HB2 ASP 4 2HB ASP 4 2.731 17.611 2.908 22 HB3 ASP 4 1HB ASP 4 3.526 16.039 2.899 23 H ALA 5 H ALA 5 6.435 17.819 4.606 24 HA ALA 5 HA ALA 5 8.537 16.358 3.332 25 HB1 ALA 5 1HB ALA 5 9.953 17.001 5.146 26 HB2 ALA 5 2HB ALA 5 8.559 17.514 6.100 27 HB3 ALA 5 3HB ALA 5 9.001 18.393 4.636 28 H GLU 6 H GLU 6 6.055 15.335 5.170 29 HA GLU 6 HA GLU 6 7.694 13.099 6.103 30 HB2 GLU 6 2HB GLU 6 5.847 12.403 7.607 31 HB3 GLU 6 1HB GLU 6 6.418 14.029 7.920 32 HG2 GLU 6 2HG GLU 6 4.441 14.866 6.638 33 HG3 GLU 6 1HG GLU 6 3.864 13.201 6.582 34 H ASP 7 H ASP 7 7.036 10.901 5.844 35 HA ASP 7 HA ASP 7 6.242 10.488 3.065 36 HB2 ASP 7 2HB ASP 7 8.273 9.392 4.074 37 HB3 ASP 7 1HB ASP 7 7.200 8.463 5.107 38 H CYS 8 H CYS 8 4.390 11.067 5.414 39 HA CYS 8 HA CYS 8 2.606 8.849 5.442 40 HB2 CYS 8 2HB CYS 8 2.251 11.684 6.388 41 HB3 CYS 8 1HB CYS 8 1.393 10.242 6.917 42 H CYS 9 H CYS 9 0.298 9.285 4.722 43 HA CYS 9 HA CYS 9 0.357 10.687 2.192 44 HB2 CYS 9 2HB CYS 9 -1.541 8.703 3.364 45 HB3 CYS 9 1HB CYS 9 -2.003 9.680 1.977 46 H LEU 10 H LEU 10 -1.918 11.587 1.595 47 HA LEU 10 HA LEU 10 -2.434 13.665 3.548 48 HB2 LEU 10 2HB LEU 10 -3.171 13.486 0.627 49 HB3 LEU 10 1HB LEU 10 -3.475 14.858 1.669 50 HG LEU 10 HG LEU 10 -0.768 13.850 0.787 51 HD11 LEU 10 1HD1 LEU 10 -2.277 16.366 0.108 52 HD12 LEU 10 2HD1 LEU 10 -1.990 15.000 -0.967 53 HD13 LEU 10 3HD1 LEU 10 -0.635 15.979 -0.404 54 HD21 LEU 10 3HD2 LEU 10 0.132 15.824 1.933 55 HD22 LEU 10 1HD2 LEU 10 -0.667 14.721 3.055 56 HD23 LEU 10 2HD2 LEU 10 -1.488 16.197 2.543 57 H SER 11 H SER 11 -4.101 11.214 1.440 58 HA SER 11 HA SER 11 -6.174 10.938 3.345 59 HB2 SER 11 2HB SER 11 -7.989 11.891 1.906 60 HB3 SER 11 1HB SER 11 -6.888 13.115 2.541 61 HG SER 11 HG SER 11 -7.336 12.259 -0.048 62 H VAL 12 H VAL 12 -7.575 9.207 2.761 63 HA VAL 12 HA VAL 12 -6.927 8.014 0.179 64 HB VAL 12 HB VAL 12 -7.334 5.899 0.962 65 HG11 VAL 12 1HG1 VAL 12 -5.361 6.596 1.963 66 HG12 VAL 12 2HG1 VAL 12 -6.181 5.477 3.054 67 HG13 VAL 12 3HG1 VAL 12 -6.203 7.216 3.380 68 HG21 VAL 12 3HG2 VAL 12 -8.980 6.949 3.282 69 HG22 VAL 12 1HG2 VAL 12 -8.541 5.245 3.008 70 HG23 VAL 12 2HG2 VAL 12 -9.507 6.087 1.818 71 H THR 13 H THR 13 -8.768 7.418 -1.054 72 HA THR 13 HA THR 13 -11.103 8.962 -0.230 73 HB THR 13 HB THR 13 -10.194 9.632 -2.428 74 HG1 THR 13 1HG THR 13 -12.313 9.991 -2.403 75 HG21 THR 13 3HG2 THR 13 -9.240 7.508 -3.135 76 HG22 THR 13 1HG2 THR 13 -10.337 8.130 -4.367 77 HG23 THR 13 2HG2 THR 13 -10.858 6.822 -3.305 78 H GLN 14 H GLN 14 -13.238 7.863 -1.387 79 HA GLN 14 HA GLN 14 -14.055 5.830 0.249 80 HB2 GLN 14 2HB GLN 14 -15.552 7.114 -1.248 81 HB3 GLN 14 1HB GLN 14 -14.932 6.214 -2.622 82 HG2 GLN 14 2HG GLN 14 -15.815 4.146 -1.664 83 HG3 GLN 14 1HG GLN 14 -16.425 5.064 -0.289 84 HE21 GLN 14 1HE2 GLN 14 -18.168 6.446 -0.593 85 HE22 GLN 14 2HE2 GLN 14 -19.231 6.283 -1.946 86 H LYS 15 H LYS 15 -13.045 5.285 -3.141 87 HA LYS 15 HA LYS 15 -11.552 3.060 -2.140 88 HB2 LYS 15 2HB LYS 15 -13.736 2.141 -2.927 89 HB3 LYS 15 1HB LYS 15 -13.362 2.769 -4.532 90 HG2 LYS 15 2HG LYS 15 -11.394 1.380 -4.648 91 HG3 LYS 15 1HG LYS 15 -11.703 0.796 -3.018 92 HD2 LYS 15 2HD LYS 15 -12.464 -0.861 -4.654 93 HD3 LYS 15 1HD LYS 15 -13.843 -0.186 -3.789 94 HE2 LYS 15 2HE LYS 15 -14.280 1.312 -5.692 95 HE3 LYS 15 1HE LYS 15 -12.898 0.624 -6.538 96 HZ1 LYS 15 3HZ LYS 15 -15.381 -0.810 -5.753 97 HZ2 LYS 15 1HZ LYS 15 -14.046 -1.543 -6.479 98 HZ3 LYS 15 2HZ LYS 15 -14.920 -0.373 -7.304 99 HA PRO 16 HA PRO 16 -8.935 5.874 -4.572 100 HB2 PRO 16 2HB PRO 16 -6.673 4.317 -3.894 101 HB3 PRO 16 1HB PRO 16 -7.209 5.818 -3.143 102 HG2 PRO 16 2HG PRO 16 -7.649 3.012 -2.177 103 HG3 PRO 16 1HG PRO 16 -7.525 4.512 -1.304 104 HD2 PRO 16 2HD PRO 16 -9.787 3.261 -1.629 105 HD3 PRO 16 1HD PRO 16 -9.639 5.007 -1.529 106 H ILE 17 H ILE 17 -7.543 2.580 -4.728 107 HA ILE 17 HA ILE 17 -8.105 2.497 -7.564 108 HB ILE 17 HB ILE 17 -5.827 1.957 -8.198 109 HG12 ILE 17 2HG1 ILE 17 -4.893 1.024 -6.118 110 HG13 ILE 17 1HG1 ILE 17 -3.844 2.276 -6.750 111 HG21 ILE 17 1HG2 ILE 17 -5.949 4.637 -6.878 112 HG22 ILE 17 2HG2 ILE 17 -6.413 4.217 -8.526 113 HG23 ILE 17 3HG2 ILE 17 -4.720 4.141 -8.040 114 HD11 ILE 17 3HD1 ILE 17 -5.722 2.477 -4.410 115 HD12 ILE 17 1HD1 ILE 17 -4.779 3.826 -5.053 116 HD13 ILE 17 2HD1 ILE 17 -3.957 2.431 -4.356 117 HA PRO 18 HA PRO 18 -8.725 -1.761 -6.564 118 HB2 PRO 18 2HB PRO 18 -7.975 -2.898 -8.973 119 HB3 PRO 18 1HB PRO 18 -9.566 -2.194 -8.663 120 HG2 PRO 18 2HG PRO 18 -7.200 -1.000 -10.046 121 HG3 PRO 18 1HG PRO 18 -8.921 -0.885 -10.455 122 HD2 PRO 18 2HD PRO 18 -7.620 1.118 -9.236 123 HD3 PRO 18 1HD PRO 18 -9.319 0.752 -8.866 124 H GLY 19 H GLY 19 -7.497 -3.363 -5.712 125 HA2 GLY 19 2HA GLY 19 -4.682 -2.902 -5.428 126 HA3 GLY 19 1HA GLY 19 -5.582 -4.230 -4.732 127 H TYR 20 H TYR 20 -6.292 -4.256 -7.839 128 HA TYR 20 HA TYR 20 -4.587 -6.445 -8.422 129 HB2 TYR 20 2HB TYR 20 -6.850 -6.555 -9.035 130 HB3 TYR 20 1HB TYR 20 -6.811 -5.011 -9.850 131 HD1 TYR 20 1HD TYR 20 -5.913 -8.538 -9.974 132 HD2 TYR 20 2HD TYR 20 -5.995 -4.899 -12.086 133 HE1 TYR 20 1HE TYR 20 -5.467 -9.782 -12.065 134 HE2 TYR 20 2HE TYR 20 -5.551 -6.099 -14.224 135 HH TYR 20 HH TYR 20 -5.801 -9.456 -14.500 136 H ILE 21 H ILE 21 -4.475 -3.000 -8.934 137 HA ILE 21 HA ILE 21 -2.498 -3.365 -11.077 138 HB ILE 21 HB ILE 21 -2.767 -1.003 -11.634 139 HG12 ILE 21 2HG1 ILE 21 -4.898 -0.944 -9.476 140 HG13 ILE 21 1HG1 ILE 21 -3.324 -0.162 -9.372 141 HG21 ILE 21 1HG2 ILE 21 -5.055 -1.105 -12.517 142 HG22 ILE 21 2HG2 ILE 21 -5.389 -2.482 -11.465 143 HG23 ILE 21 3HG2 ILE 21 -4.185 -2.622 -12.746 144 HD11 ILE 21 3HD1 ILE 21 -5.512 0.498 -11.335 145 HD12 ILE 21 1HD1 ILE 21 -3.926 1.265 -11.269 146 HD13 ILE 21 2HD1 ILE 21 -5.043 1.450 -9.924 147 H VAL 22 H VAL 22 -2.286 -3.357 -7.955 148 HA VAL 22 HA VAL 22 -0.082 -1.435 -7.773 149 HB VAL 22 HB VAL 22 -1.673 -1.119 -5.998 150 HG11 VAL 22 1HG1 VAL 22 -2.779 -3.172 -5.972 151 HG12 VAL 22 2HG1 VAL 22 -2.155 -2.860 -4.359 152 HG13 VAL 22 3HG1 VAL 22 -1.352 -4.038 -5.447 153 HG21 VAL 22 3HG2 VAL 22 0.749 -2.538 -4.937 154 HG22 VAL 22 1HG2 VAL 22 -0.304 -1.453 -4.028 155 HG23 VAL 22 2HG2 VAL 22 0.642 -0.832 -5.378 156 H ARG 23 H ARG 23 1.936 -1.870 -7.296 157 HA ARG 23 HA ARG 23 2.760 -4.613 -7.930 158 HB2 ARG 23 2HB ARG 23 3.725 -2.226 -8.930 159 HB3 ARG 23 1HB ARG 23 4.670 -2.388 -7.514 160 HG2 ARG 23 2HG ARG 23 4.642 -4.526 -9.645 161 HG3 ARG 23 1HG ARG 23 5.879 -3.290 -9.459 162 HD2 ARG 23 2HD ARG 23 6.376 -4.158 -7.217 163 HD3 ARG 23 1HD ARG 23 5.148 -5.393 -7.427 164 HE ARG 23 HE ARG 23 6.870 -5.683 -9.535 165 HH11 ARG 23 1HH1 ARG 23 7.108 -5.825 -5.977 166 HH12 ARG 23 2HH1 ARG 23 8.402 -6.920 -5.983 167 HH21 ARG 23 1HH2 ARG 23 8.677 -7.238 -9.483 168 HH22 ARG 23 2HH2 ARG 23 9.290 -7.738 -7.973 169 H ASN 24 H ASN 24 3.632 -1.983 -5.631 170 HA ASN 24 HA ASN 24 4.057 -3.996 -3.548 171 HB2 ASN 24 2HB ASN 24 5.948 -1.674 -4.056 172 HB3 ASN 24 1HB ASN 24 6.018 -2.753 -2.680 173 HD21 ASN 24 1HD2 ASN 24 6.887 -2.221 -5.943 174 HD22 ASN 24 2HD2 ASN 24 7.800 -3.661 -6.137 175 H PHE 25 H PHE 25 4.191 -2.869 -1.369 176 HA PHE 25 HA PHE 25 2.714 -0.368 -1.345 177 HB2 PHE 25 2HB PHE 25 1.062 -1.205 0.172 178 HB3 PHE 25 1HB PHE 25 1.028 -2.225 -1.236 179 HD1 PHE 25 1HD PHE 25 2.221 -4.468 -1.156 180 HD2 PHE 25 2HD PHE 25 1.468 -2.154 2.327 181 HE1 PHE 25 1HE PHE 25 2.568 -6.444 0.223 182 HE2 PHE 25 2HE PHE 25 1.815 -4.132 3.726 183 HZ PHE 25 HZ PHE 25 2.371 -6.286 2.685 184 H HIS 26 H HIS 26 2.722 0.521 0.850 185 HA HIS 26 HA HIS 26 4.626 -0.697 2.678 186 HB2 HIS 26 2HB HIS 26 4.658 2.276 1.980 187 HB3 HIS 26 1HB HIS 26 5.476 1.578 3.359 188 HD1 HIS 26 1HD HIS 26 6.369 2.814 0.256 189 HD2 HIS 26 2HD HIS 26 7.176 -0.767 2.186 190 HE1 HIS 26 1HE HIS 26 8.412 1.914 -0.840 191 HE2 HIS 26 2HE HIS 26 8.991 -0.155 0.475 192 H TYR 27 H TYR 27 3.722 -1.052 4.504 193 HA TYR 27 HA TYR 27 1.070 -0.016 4.987 194 HB2 TYR 27 2HB TYR 27 1.927 -2.429 5.256 195 HB3 TYR 27 1HB TYR 27 2.661 -1.816 6.746 196 HD1 TYR 27 2HD TYR 27 -0.554 -1.607 4.983 197 HD2 TYR 27 1HD TYR 27 1.421 -2.195 8.675 198 HE1 TYR 27 2HE TYR 27 -2.692 -1.926 6.010 199 HE2 TYR 27 1HE TYR 27 -0.756 -2.539 9.790 200 HH TYR 27 HH TYR 27 -3.122 -1.965 9.425 201 H LEU 28 H LEU 28 1.124 2.023 5.705 202 HA LEU 28 HA LEU 28 2.987 2.695 7.788 203 HB2 LEU 28 2HB LEU 28 3.252 3.961 5.758 204 HB3 LEU 28 1HB LEU 28 1.545 4.311 5.692 205 HG LEU 28 HG LEU 28 3.181 5.266 7.956 206 HD11 LEU 28 1HD1 LEU 28 4.353 5.985 5.864 207 HD12 LEU 28 2HD1 LEU 28 3.597 7.373 6.620 208 HD13 LEU 28 3HD1 LEU 28 2.842 6.612 5.225 209 HD21 LEU 28 3HD2 LEU 28 0.739 6.358 6.547 210 HD22 LEU 28 1HD2 LEU 28 1.532 7.118 7.926 211 HD23 LEU 28 2HD2 LEU 28 0.773 5.534 8.108 212 H LEU 29 H LEU 29 2.288 3.321 9.701 213 HA LEU 29 HA LEU 29 -0.621 3.566 10.154 214 HB2 LEU 29 2HB LEU 29 1.406 2.181 11.898 215 HB3 LEU 29 1HB LEU 29 -0.276 2.414 12.299 216 HG LEU 29 HG LEU 29 0.816 0.746 10.073 217 HD11 LEU 29 1HD1 LEU 29 -0.049 -1.155 11.412 218 HD12 LEU 29 2HD1 LEU 29 -0.505 -0.021 12.684 219 HD13 LEU 29 3HD1 LEU 29 1.196 -0.246 12.268 220 HD21 LEU 29 3HD2 LEU 29 -1.339 1.686 9.440 221 HD22 LEU 29 1HD2 LEU 29 -2.042 1.155 10.970 222 HD23 LEU 29 2HD2 LEU 29 -1.518 -0.036 9.777 223 H ILE 30 H ILE 30 -0.802 4.352 12.640 224 HA ILE 30 HA ILE 30 0.457 6.912 12.736 225 HB ILE 30 HB ILE 30 -1.092 5.474 14.933 226 HG12 ILE 30 2HG1 ILE 30 -2.026 7.495 12.877 227 HG13 ILE 30 1HG1 ILE 30 -2.428 5.784 12.892 228 HG21 ILE 30 1HG2 ILE 30 0.309 7.298 15.787 229 HG22 ILE 30 2HG2 ILE 30 -1.403 7.738 15.890 230 HG23 ILE 30 3HG2 ILE 30 -0.375 8.394 14.605 231 HD11 ILE 30 3HD1 ILE 30 -4.264 7.129 13.715 232 HD12 ILE 30 1HD1 ILE 30 -3.225 7.816 14.963 233 HD13 ILE 30 2HD1 ILE 30 -3.635 6.099 15.002 234 H LYS 31 H LYS 31 1.174 3.774 13.836 235 HA LYS 31 HA LYS 31 2.973 4.351 15.918 236 HB2 LYS 31 2HB LYS 31 3.014 1.999 14.032 237 HB3 LYS 31 1HB LYS 31 3.909 2.130 15.542 238 HG2 LYS 31 2HG LYS 31 1.754 2.336 16.744 239 HG3 LYS 31 1HG LYS 31 0.912 2.052 15.222 240 HD2 LYS 31 2HD LYS 31 1.051 -0.011 16.483 241 HD3 LYS 31 1HD LYS 31 2.065 -0.131 15.045 242 HE2 LYS 31 2HE LYS 31 3.173 -1.046 17.033 243 HE3 LYS 31 1HE LYS 31 4.054 0.327 16.383 244 HZ1 LYS 31 3HZ LYS 31 3.875 0.407 18.810 245 HZ2 LYS 31 1HZ LYS 31 2.205 0.416 18.712 246 HZ3 LYS 31 2HZ LYS 31 3.079 1.719 18.129 247 H ASP 32 H ASP 32 3.345 4.346 12.429 248 HA ASP 32 HA ASP 32 6.164 4.665 12.408 249 HB2 ASP 32 2HB ASP 32 4.069 5.574 10.413 250 HB3 ASP 32 1HB ASP 32 5.801 5.650 10.124 251 H GLY 33 H GLY 33 3.462 6.828 12.633 252 HA2 GLY 33 2HA GLY 33 3.786 8.752 14.120 253 HA3 GLY 33 1HA GLY 33 5.298 9.057 13.288 254 H CYS 34 H CYS 34 1.901 8.466 12.471 255 HA CYS 34 HA CYS 34 1.879 10.854 10.816 256 HB2 CYS 34 2HB CYS 34 0.924 8.124 9.927 257 HB3 CYS 34 1HB CYS 34 0.801 9.616 9.011 258 H ARG 35 H ARG 35 -0.101 11.861 11.062 259 HA ARG 35 HA ARG 35 -1.922 10.767 13.008 260 HB2 ARG 35 2HB ARG 35 -3.266 12.798 12.685 261 HB3 ARG 35 1HB ARG 35 -1.576 13.196 12.930 262 HG2 ARG 35 2HG ARG 35 -1.300 13.635 10.573 263 HG3 ARG 35 1HG ARG 35 -2.955 13.105 10.247 264 HD2 ARG 35 2HD ARG 35 -2.140 15.454 11.957 265 HD3 ARG 35 1HD ARG 35 -2.786 15.553 10.321 266 HE ARG 35 HE ARG 35 -4.683 14.161 11.623 267 HH11 ARG 35 1HH1 ARG 35 -3.137 17.292 12.268 268 HH12 ARG 35 2HH1 ARG 35 -4.437 17.921 13.140 269 HH21 ARG 35 1HH2 ARG 35 -6.500 15.044 12.828 270 HH22 ARG 35 2HH2 ARG 35 -6.399 16.609 13.478 271 H VAL 36 H VAL 36 -1.549 10.378 9.774 272 HA VAL 36 HA VAL 36 -4.245 9.313 9.542 273 HB VAL 36 HB VAL 36 -4.100 11.232 8.070 274 HG11 VAL 36 1HG1 VAL 36 -2.460 11.431 6.264 275 HG12 VAL 36 2HG1 VAL 36 -1.639 9.991 6.872 276 HG13 VAL 36 3HG1 VAL 36 -1.713 11.446 7.862 277 HG21 VAL 36 3HG2 VAL 36 -4.500 10.215 5.846 278 HG22 VAL 36 1HG2 VAL 36 -5.352 9.360 7.138 279 HG23 VAL 36 2HG2 VAL 36 -3.868 8.693 6.459 280 HA PRO 37 HA PRO 37 -1.621 5.666 9.024 281 HB2 PRO 37 2HB PRO 37 -3.491 3.871 9.830 282 HB3 PRO 37 1HB PRO 37 -2.522 4.794 10.979 283 HG2 PRO 37 2HG PRO 37 -5.346 5.194 10.134 284 HG3 PRO 37 1HG PRO 37 -4.605 5.459 11.718 285 HD2 PRO 37 2HD PRO 37 -5.190 7.448 9.876 286 HD3 PRO 37 1HD PRO 37 -4.015 7.606 11.196 287 H ALA 38 H ALA 38 -1.451 4.591 7.112 288 HA ALA 38 HA ALA 38 -3.681 3.773 5.600 289 HB1 ALA 38 1HB ALA 38 -2.233 6.193 4.544 290 HB2 ALA 38 2HB ALA 38 -3.863 6.191 5.236 291 HB3 ALA 38 3HB ALA 38 -3.540 5.276 3.776 292 H VAL 39 H VAL 39 -3.059 2.566 3.830 293 HA VAL 39 HA VAL 39 -0.203 2.008 3.778 294 HB VAL 39 HB VAL 39 -1.586 0.030 4.228 295 HG11 VAL 39 1HG1 VAL 39 -3.656 0.693 3.174 296 HG12 VAL 39 2HG1 VAL 39 -3.125 -0.884 2.588 297 HG13 VAL 39 3HG1 VAL 39 -2.901 0.545 1.579 298 HG21 VAL 39 3HG2 VAL 39 -0.791 -1.459 2.450 299 HG22 VAL 39 1HG2 VAL 39 0.458 -0.326 2.967 300 HG23 VAL 39 2HG2 VAL 39 -0.405 -0.048 1.459 301 H VAL 40 H VAL 40 1.014 2.608 2.078 302 HA VAL 40 HA VAL 40 -0.359 3.932 -0.049 303 HB VAL 40 HB VAL 40 1.713 4.723 -0.805 304 HG11 VAL 40 1HG1 VAL 40 2.734 5.837 1.110 305 HG12 VAL 40 2HG1 VAL 40 1.810 4.784 2.176 306 HG13 VAL 40 3HG1 VAL 40 0.971 5.905 1.105 307 HG21 VAL 40 3HG2 VAL 40 3.072 2.735 0.976 308 HG22 VAL 40 1HG2 VAL 40 3.922 4.047 0.126 309 HG23 VAL 40 2HG2 VAL 40 3.060 2.807 -0.792 310 H PHE 41 H PHE 41 -0.818 3.071 -1.868 311 HA PHE 41 HA PHE 41 0.348 0.513 -2.583 312 HB2 PHE 41 2HB PHE 41 -2.113 1.962 -3.443 313 HB3 PHE 41 1HB PHE 41 -1.496 0.699 -4.453 314 HD1 PHE 41 2HD PHE 41 -0.614 -1.164 -2.122 315 HD2 PHE 41 1HD PHE 41 -4.184 1.053 -2.862 316 HE1 PHE 41 2HE PHE 41 -1.882 -2.777 -0.810 317 HE2 PHE 41 1HE PHE 41 -5.458 -0.557 -1.556 318 HZ PHE 41 HZ PHE 41 -4.294 -2.510 -0.526 319 H THR 42 H THR 42 1.958 0.501 -3.908 320 HA THR 42 HA THR 42 2.438 2.762 -5.672 321 HB THR 42 HB THR 42 4.009 0.226 -5.151 322 HG1 THR 42 1HG THR 42 3.803 2.522 -3.872 323 HG21 THR 42 3HG2 THR 42 5.851 1.360 -6.407 324 HG22 THR 42 1HG2 THR 42 4.707 2.618 -6.910 325 HG23 THR 42 2HG2 THR 42 4.464 0.932 -7.391 326 H THR 43 H THR 43 1.171 2.723 -7.424 327 HA THR 43 HA THR 43 0.072 0.336 -8.483 328 HB THR 43 HB THR 43 -0.755 1.824 -10.296 329 HG1 THR 43 1HG THR 43 -0.380 4.117 -9.823 330 HG21 THR 43 3HG2 THR 43 -1.125 2.884 -7.483 331 HG22 THR 43 1HG2 THR 43 -2.025 1.548 -8.201 332 HG23 THR 43 2HG2 THR 43 -2.209 3.185 -8.838 333 H LEU 44 H LEU 44 0.273 -0.178 -10.927 334 HA LEU 44 HA LEU 44 2.939 -0.710 -11.601 335 HB2 LEU 44 2HB LEU 44 0.413 -0.716 -13.238 336 HB3 LEU 44 1HB LEU 44 1.945 -1.382 -13.744 337 HG LEU 44 HG LEU 44 0.269 -2.374 -11.436 338 HD11 LEU 44 1HD1 LEU 44 -0.728 -2.893 -13.582 339 HD12 LEU 44 2HD1 LEU 44 -0.089 -4.351 -12.819 340 HD13 LEU 44 3HD1 LEU 44 0.798 -3.584 -14.134 341 HD21 LEU 44 3HD2 LEU 44 2.643 -2.715 -10.994 342 HD22 LEU 44 1HD2 LEU 44 2.845 -3.449 -12.586 343 HD23 LEU 44 2HD2 LEU 44 1.862 -4.249 -11.364 344 H ARG 45 H ARG 45 0.749 1.824 -12.186 345 HA ARG 45 HA ARG 45 2.097 3.276 -14.194 346 HB2 ARG 45 2HB ARG 45 -0.188 3.788 -13.526 347 HB3 ARG 45 1HB ARG 45 0.352 4.211 -11.913 348 HG2 ARG 45 2HG ARG 45 -0.164 6.168 -13.259 349 HG3 ARG 45 1HG ARG 45 1.539 6.136 -12.787 350 HD2 ARG 45 2HD ARG 45 2.114 5.258 -15.007 351 HD3 ARG 45 1HD ARG 45 0.405 5.308 -15.451 352 HE ARG 45 HE ARG 45 0.873 7.803 -14.683 353 HH11 ARG 45 1HH1 ARG 45 2.633 5.689 -16.909 354 HH12 ARG 45 2HH1 ARG 45 3.108 6.928 -17.968 355 HH21 ARG 45 1HH2 ARG 45 1.543 9.542 -16.137 356 HH22 ARG 45 2HH2 ARG 45 2.477 9.188 -17.499 357 H GLY 46 H GLY 46 2.530 2.996 -10.742 358 HA2 GLY 46 2HA GLY 46 4.702 3.227 -9.820 359 HA3 GLY 46 1HA GLY 46 5.056 4.470 -11.000 360 H ARG 47 H ARG 47 1.951 4.659 -9.531 361 HA ARG 47 HA ARG 47 2.858 7.019 -8.059 362 HB2 ARG 47 2HB ARG 47 0.097 5.983 -8.640 363 HB3 ARG 47 1HB ARG 47 0.415 7.361 -7.623 364 HG2 ARG 47 2HG ARG 47 1.446 8.477 -9.629 365 HG3 ARG 47 1HG ARG 47 0.878 7.098 -10.589 366 HD2 ARG 47 2HD ARG 47 -1.419 7.523 -9.845 367 HD3 ARG 47 1HD ARG 47 -0.860 8.871 -8.879 368 HE ARG 47 HE ARG 47 -0.331 9.015 -11.728 369 HH11 ARG 47 1HH1 ARG 47 -2.377 10.013 -9.020 370 HH12 ARG 47 2HH1 ARG 47 -3.180 11.245 -9.863 371 HH21 ARG 47 1HH2 ARG 47 -1.414 10.730 -12.905 372 HH22 ARG 47 2HH2 ARG 47 -2.604 11.679 -12.141 373 H GLN 48 H GLN 48 3.038 7.055 -5.908 374 HA GLN 48 HA GLN 48 2.038 4.819 -4.358 375 HB2 GLN 48 2HB GLN 48 3.632 7.272 -3.515 376 HB3 GLN 48 1HB GLN 48 3.019 6.099 -2.378 377 HG2 GLN 48 2HG GLN 48 5.294 5.615 -2.631 378 HG3 GLN 48 1HG GLN 48 4.461 4.389 -3.566 379 HE21 GLN 48 1HE2 GLN 48 7.196 5.344 -3.652 380 HE22 GLN 48 2HE2 GLN 48 7.486 5.850 -5.273 381 H LEU 49 H LEU 49 0.041 4.868 -3.603 382 HA LEU 49 HA LEU 49 -1.232 7.470 -3.022 383 HB2 LEU 49 2HB LEU 49 -1.673 6.483 -5.374 384 HB3 LEU 49 1HB LEU 49 -2.555 5.231 -4.550 385 HG LEU 49 HG LEU 49 -4.056 6.915 -5.502 386 HD11 LEU 49 1HD1 LEU 49 -5.432 7.484 -3.631 387 HD12 LEU 49 2HD1 LEU 49 -4.135 7.013 -2.535 388 HD13 LEU 49 3HD1 LEU 49 -4.885 5.810 -3.581 389 HD21 LEU 49 3HD2 LEU 49 -2.589 8.819 -5.464 390 HD22 LEU 49 1HD2 LEU 49 -2.678 8.876 -3.704 391 HD23 LEU 49 2HD2 LEU 49 -4.121 9.191 -4.673 392 H CYS 50 H CYS 50 -2.812 7.266 -1.275 393 HA CYS 50 HA CYS 50 -2.436 4.712 0.064 394 HB2 CYS 50 2HB CYS 50 -3.125 7.391 1.094 395 HB3 CYS 50 1HB CYS 50 -3.534 5.955 2.022 396 H ALA 51 H ALA 51 -3.901 3.432 0.860 397 HA ALA 51 HA ALA 51 -6.695 3.990 0.207 398 HB1 ALA 51 1HB ALA 51 -7.015 1.742 -0.449 399 HB2 ALA 51 2HB ALA 51 -5.357 1.267 0.015 400 HB3 ALA 51 3HB ALA 51 -5.672 2.357 -1.353 401 HA PRO 52 HA PRO 52 -7.590 3.225 4.362 402 HB2 PRO 52 2HB PRO 52 -9.881 1.747 4.379 403 HB3 PRO 52 1HB PRO 52 -9.836 3.451 3.900 404 HG2 PRO 52 2HG PRO 52 -9.920 0.985 2.233 405 HG3 PRO 52 1HG PRO 52 -10.755 2.515 1.980 406 HD2 PRO 52 2HD PRO 52 -8.537 1.707 0.706 407 HD3 PRO 52 1HD PRO 52 -8.951 3.412 0.868 408 HA PRO 53 HA PRO 53 -5.346 -0.639 4.921 409 HB2 PRO 53 2HB PRO 53 -4.383 -0.136 7.388 410 HB3 PRO 53 1HB PRO 53 -3.740 0.639 5.937 411 HG2 PRO 53 2HG PRO 53 -5.712 1.698 7.927 412 HG3 PRO 53 1HG PRO 53 -4.306 2.513 7.214 413 HD2 PRO 53 2HD PRO 53 -6.828 2.915 6.318 414 HD3 PRO 53 1HD PRO 53 -5.433 2.972 5.232 415 H ASP 54 H ASP 54 -8.085 0.319 6.704 416 HA ASP 54 HA ASP 54 -8.041 -2.183 8.222 417 HB2 ASP 54 2HB ASP 54 -8.455 -0.280 9.640 418 HB3 ASP 54 1HB ASP 54 -9.745 0.294 8.600 419 H GLN 55 H GLN 55 -9.475 -0.717 5.555 420 HA GLN 55 HA GLN 55 -11.900 -2.153 5.570 421 HB2 GLN 55 2HB GLN 55 -10.463 -0.687 3.397 422 HB3 GLN 55 1HB GLN 55 -12.001 -1.502 3.140 423 HG2 GLN 55 2HG GLN 55 -11.508 0.656 5.163 424 HG3 GLN 55 1HG GLN 55 -12.264 0.891 3.586 425 HE21 GLN 55 1HE2 GLN 55 -14.290 0.037 3.235 426 HE22 GLN 55 2HE2 GLN 55 -15.353 -0.403 4.519 427 HA PRO 56 HA PRO 56 -10.747 -6.276 4.482 428 HB2 PRO 56 2HB PRO 56 -13.354 -6.047 3.062 429 HB3 PRO 56 1HB PRO 56 -12.753 -7.339 4.106 430 HG2 PRO 56 2HG PRO 56 -14.494 -5.599 5.060 431 HG3 PRO 56 1HG PRO 56 -13.120 -6.116 6.054 432 HD2 PRO 56 2HD PRO 56 -13.554 -3.536 4.631 433 HD3 PRO 56 1HD PRO 56 -12.727 -3.873 6.163 434 H TRP 57 H TRP 57 -12.018 -4.074 1.960 435 HA TRP 57 HA TRP 57 -11.207 -5.777 -0.151 436 HB2 TRP 57 2HB TRP 57 -11.732 -4.053 -1.712 437 HB3 TRP 57 1HB TRP 57 -12.853 -3.804 -0.387 438 HD1 TRP 57 HD1 TRP 57 -12.533 -1.464 1.044 439 HE1 TRP 57 1HE TRP 57 -11.268 0.676 0.499 440 HE3 TRP 57 3HE TRP 57 -9.678 -3.148 -2.873 441 HZ2 TRP 57 2HZ TRP 57 -9.287 1.552 -1.334 442 HZ3 TRP 57 3HZ TRP 57 -8.126 -1.545 -3.943 443 HH2 TRP 57 HH2 TRP 57 -7.959 0.723 -3.181 444 H VAL 58 H VAL 58 -9.510 -3.513 1.800 445 HA VAL 58 HA VAL 58 -7.198 -3.443 0.088 446 HB VAL 58 HB VAL 58 -7.744 -2.140 2.777 447 HG11 VAL 58 1HG1 VAL 58 -5.252 -1.937 1.086 448 HG12 VAL 58 2HG1 VAL 58 -5.369 -2.757 2.643 449 HG13 VAL 58 3HG1 VAL 58 -5.594 -1.009 2.542 450 HG21 VAL 58 3HG2 VAL 58 -7.294 -1.007 0.023 451 HG22 VAL 58 1HG2 VAL 58 -7.555 -0.068 1.474 452 HG23 VAL 58 2HG2 VAL 58 -8.836 -1.104 0.862 453 H GLU 59 H GLU 59 -8.002 -4.761 3.313 454 HA GLU 59 HA GLU 59 -5.390 -5.699 3.541 455 HB2 GLU 59 2HB GLU 59 -6.110 -7.067 5.508 456 HB3 GLU 59 1HB GLU 59 -6.428 -5.352 5.617 457 HG2 GLU 59 2HG GLU 59 -8.280 -6.448 6.579 458 HG3 GLU 59 1HG GLU 59 -8.811 -5.897 4.997 459 H ARG 60 H ARG 60 -8.018 -7.187 2.015 460 HA ARG 60 HA ARG 60 -6.822 -9.758 1.739 461 HB2 ARG 60 2HB ARG 60 -8.821 -8.373 -0.048 462 HB3 ARG 60 1HB ARG 60 -8.380 -10.069 -0.169 463 HG2 ARG 60 2HG ARG 60 -9.656 -8.768 2.227 464 HG3 ARG 60 1HG ARG 60 -10.509 -9.712 1.011 465 HD2 ARG 60 2HD ARG 60 -9.243 -11.684 1.601 466 HD3 ARG 60 1HD ARG 60 -8.259 -10.754 2.728 467 HE ARG 60 HE ARG 60 -10.600 -10.281 3.723 468 HH11 ARG 60 1HH1 ARG 60 -9.361 -13.381 2.538 469 HH12 ARG 60 2HH1 ARG 60 -10.232 -14.319 3.669 470 HH21 ARG 60 1HH2 ARG 60 -11.798 -11.630 5.290 471 HH22 ARG 60 2HH2 ARG 60 -11.603 -13.324 5.231 472 H ILE 61 H ILE 61 -6.668 -6.849 -0.297 473 HA ILE 61 HA ILE 61 -5.024 -8.164 -2.221 474 HB ILE 61 HB ILE 61 -4.542 -5.808 -3.093 475 HG12 ILE 61 2HG1 ILE 61 -6.688 -5.142 -1.088 476 HG13 ILE 61 1HG1 ILE 61 -5.019 -4.594 -1.047 477 HG21 ILE 61 1HG2 ILE 61 -6.797 -5.636 -4.167 478 HG22 ILE 61 2HG2 ILE 61 -7.393 -6.816 -2.999 479 HG23 ILE 61 3HG2 ILE 61 -6.157 -7.264 -4.165 480 HD11 ILE 61 3HD1 ILE 61 -7.062 -3.880 -3.135 481 HD12 ILE 61 1HD1 ILE 61 -5.397 -3.268 -3.030 482 HD13 ILE 61 2HD1 ILE 61 -6.562 -2.867 -1.786 483 H ILE 62 H ILE 62 -4.392 -6.282 0.586 484 HA ILE 62 HA ILE 62 -1.630 -5.943 0.355 485 HB ILE 62 HB ILE 62 -3.237 -6.566 2.860 486 HG12 ILE 62 2HG1 ILE 62 -2.194 -3.946 1.761 487 HG13 ILE 62 1HG1 ILE 62 -3.870 -4.470 1.777 488 HG21 ILE 62 1HG2 ILE 62 -1.346 -5.707 4.161 489 HG22 ILE 62 2HG2 ILE 62 -0.391 -5.589 2.682 490 HG23 ILE 62 3HG2 ILE 62 -0.926 -7.165 3.263 491 HD11 ILE 62 3HD1 ILE 62 -3.865 -4.409 4.226 492 HD12 ILE 62 1HD1 ILE 62 -3.416 -2.848 3.541 493 HD13 ILE 62 2HD1 ILE 62 -2.175 -3.908 4.200 494 H GLN 63 H GLN 63 -3.435 -8.740 1.558 495 HA GLN 63 HA GLN 63 -1.294 -10.494 2.232 496 HB2 GLN 63 2HB GLN 63 -3.939 -11.282 0.983 497 HB3 GLN 63 1HB GLN 63 -2.895 -12.302 1.946 498 HG2 GLN 63 2HG GLN 63 -4.259 -9.862 3.054 499 HG3 GLN 63 1HG GLN 63 -5.033 -11.428 3.008 500 HE21 GLN 63 1HE2 GLN 63 -1.581 -11.052 3.765 501 HE22 GLN 63 2HE2 GLN 63 -1.763 -11.466 5.407 502 H ARG 64 H ARG 64 -2.925 -9.896 -0.818 503 HA ARG 64 HA ARG 64 -1.710 -11.909 -2.272 504 HB2 ARG 64 2HB ARG 64 -2.827 -9.284 -3.192 505 HB3 ARG 64 1HB ARG 64 -2.429 -10.647 -4.236 506 HG2 ARG 64 2HG ARG 64 -4.069 -12.030 -3.097 507 HG3 ARG 64 1HG ARG 64 -4.454 -10.690 -2.014 508 HD2 ARG 64 2HD ARG 64 -5.021 -9.371 -3.946 509 HD3 ARG 64 1HD ARG 64 -4.828 -10.772 -4.994 510 HE ARG 64 HE ARG 64 -6.586 -11.415 -2.876 511 HH11 ARG 64 1HH1 ARG 64 -6.590 -9.557 -5.882 512 HH12 ARG 64 2HH1 ARG 64 -8.266 -9.709 -6.125 513 HH21 ARG 64 1HH2 ARG 64 -8.882 -11.588 -3.225 514 HH22 ARG 64 2HH2 ARG 64 -9.604 -10.873 -4.605 515 H LEU 65 H LEU 65 -0.749 -8.542 -1.668 516 HA LEU 65 HA LEU 65 1.536 -8.737 -3.391 517 HB2 LEU 65 2HB LEU 65 0.806 -6.661 -1.354 518 HB3 LEU 65 1HB LEU 65 2.121 -6.537 -2.500 519 HG LEU 65 HG LEU 65 -0.821 -6.589 -3.145 520 HD11 LEU 65 1HD1 LEU 65 -0.074 -4.534 -2.140 521 HD12 LEU 65 2HD1 LEU 65 -0.391 -4.264 -3.858 522 HD13 LEU 65 3HD1 LEU 65 1.261 -4.431 -3.286 523 HD21 LEU 65 3HD2 LEU 65 1.572 -6.321 -4.971 524 HD22 LEU 65 1HD2 LEU 65 -0.115 -6.125 -5.450 525 HD23 LEU 65 2HD2 LEU 65 0.468 -7.696 -4.904 526 H GLN 66 H GLN 66 0.871 -9.316 -0.021 527 HA GLN 66 HA GLN 66 3.438 -8.954 0.984 528 HB2 GLN 66 2HB GLN 66 1.273 -10.766 1.973 529 HB3 GLN 66 1HB GLN 66 2.802 -10.563 2.820 530 HG2 GLN 66 2HG GLN 66 2.388 -8.209 3.000 531 HG3 GLN 66 1HG GLN 66 0.837 -8.382 2.175 532 HE21 GLN 66 1HE2 GLN 66 1.356 -7.372 4.816 533 HE22 GLN 66 2HE2 GLN 66 0.498 -8.385 5.911 534 H ARG 67 H ARG 67 2.326 -11.434 -0.949 535 HA ARG 67 HA ARG 67 4.190 -13.452 -0.326 536 HB2 ARG 67 2HB ARG 67 3.883 -14.359 -2.588 537 HB3 ARG 67 1HB ARG 67 2.346 -13.885 -1.882 538 HG2 ARG 67 2HG ARG 67 2.421 -11.810 -3.200 539 HG3 ARG 67 1HG ARG 67 3.923 -12.371 -3.940 540 HD2 ARG 67 2HD ARG 67 1.257 -13.767 -4.070 541 HD3 ARG 67 1HD ARG 67 1.976 -12.805 -5.359 542 HE ARG 67 HE ARG 67 3.798 -14.782 -4.665 543 HH11 ARG 67 1HH1 ARG 67 0.552 -14.613 -6.084 544 HH12 ARG 67 2HH1 ARG 67 0.758 -16.018 -7.030 545 HH21 ARG 67 1HH2 ARG 67 4.052 -16.689 -5.927 546 HH22 ARG 67 2HH2 ARG 67 2.782 -17.233 -6.947 547 H THR 68 H THR 68 4.671 -10.546 -2.328 548 HA THR 68 HA THR 68 7.383 -11.388 -2.840 549 HB THR 68 HB THR 68 6.220 -10.161 -4.642 550 HG1 THR 68 1HG THR 68 8.264 -8.388 -3.862 551 HG21 THR 68 3HG2 THR 68 6.335 -7.778 -2.774 552 HG22 THR 68 1HG2 THR 68 4.873 -8.610 -3.302 553 HG23 THR 68 2HG2 THR 68 5.850 -7.715 -4.469 554 H SER 69 H SER 69 5.718 -9.733 -0.492 555 HA SER 69 HA SER 69 7.806 -8.043 0.496 556 HB2 SER 69 2HB SER 69 5.420 -7.523 0.926 557 HB3 SER 69 1HB SER 69 5.260 -9.032 1.821 558 HG SER 69 HG SER 69 7.120 -7.045 2.591 559 H ALA 70 H ALA 70 7.122 -11.360 0.666 560 HA ALA 70 HA ALA 70 8.201 -12.031 3.183 561 HB1 ALA 70 1HB ALA 70 8.246 -14.317 2.343 562 HB2 ALA 70 2HB ALA 70 8.014 -13.729 0.699 563 HB3 ALA 70 3HB ALA 70 6.736 -13.523 1.893 564 H LYS 71 H LYS 71 9.652 -11.465 0.063 565 HA LYS 71 HA LYS 71 12.201 -12.418 1.059 566 HB2 LYS 71 2HB LYS 71 13.047 -12.113 -1.264 567 HB3 LYS 71 1HB LYS 71 11.715 -13.243 -1.139 568 HG2 LYS 71 2HG LYS 71 10.185 -11.540 -1.995 569 HG3 LYS 71 1HG LYS 71 11.524 -10.392 -2.091 570 HD2 LYS 71 2HD LYS 71 12.663 -11.872 -3.675 571 HD3 LYS 71 1HD LYS 71 11.320 -13.006 -3.591 572 HE2 LYS 71 2HE LYS 71 9.808 -11.297 -4.475 573 HE3 LYS 71 1HE LYS 71 11.141 -10.148 -4.532 574 HZ1 LYS 71 3HZ LYS 71 10.700 -11.154 -6.702 575 HZ2 LYS 71 1HZ LYS 71 11.014 -12.682 -6.079 576 HZ3 LYS 71 2HZ LYS 71 12.241 -11.539 -6.167 577 H MET 72 H MET 72 13.245 -11.109 2.237 578 HA MET 72 HA MET 72 14.058 -8.496 1.302 579 HB2 MET 72 2HB MET 72 13.356 -7.368 3.387 580 HB3 MET 72 1HB MET 72 11.943 -8.034 2.584 581 HG2 MET 72 2HG MET 72 11.970 -9.900 4.118 582 HG3 MET 72 1HG MET 72 13.392 -9.246 4.928 583 HE1 MET 72 3HE MET 72 12.255 -9.286 7.298 584 HE2 MET 72 1HE MET 72 10.850 -10.056 6.566 585 HE3 MET 72 2HE MET 72 10.637 -8.663 7.629 586 H LYS 73 H LYS 73 15.544 -7.708 3.459 587 HA LYS 73 HA LYS 73 17.376 -9.866 3.810 588 HB2 LYS 73 2HB LYS 73 17.915 -7.298 3.917 589 HB3 LYS 73 1HB LYS 73 17.293 -7.378 5.558 590 HG2 LYS 73 2HG LYS 73 19.638 -8.978 4.521 591 HG3 LYS 73 1HG LYS 73 19.772 -7.486 5.439 592 HD2 LYS 73 2HD LYS 73 18.799 -8.551 7.375 593 HD3 LYS 73 1HD LYS 73 18.438 -10.002 6.449 594 HE2 LYS 73 2HE LYS 73 20.419 -10.301 7.857 595 HE3 LYS 73 1HE LYS 73 20.812 -10.446 6.150 596 HZ1 LYS 73 3HZ LYS 73 21.287 -8.032 7.828 597 HZ2 LYS 73 1HZ LYS 73 21.731 -8.208 6.205 598 HZ3 LYS 73 2HZ LYS 73 22.444 -9.168 7.384 599 H ARG 74 H ARG 74 16.756 -11.533 4.939 600 HA ARG 74 HA ARG 74 14.833 -11.156 7.117 601 HB2 ARG 74 2HB ARG 74 13.927 -12.140 5.105 602 HB3 ARG 74 1HB ARG 74 15.167 -13.368 5.113 603 HG2 ARG 74 2HG ARG 74 14.215 -14.343 7.111 604 HG3 ARG 74 1HG ARG 74 13.013 -13.049 7.189 605 HD2 ARG 74 2HD ARG 74 12.159 -13.679 5.003 606 HD3 ARG 74 1HD ARG 74 13.355 -14.962 4.888 607 HE ARG 74 HE ARG 74 12.203 -15.805 6.992 608 HH11 ARG 74 1HH1 ARG 74 10.542 -14.092 4.327 609 HH12 ARG 74 2HH1 ARG 74 9.077 -14.922 4.530 610 HH21 ARG 74 1HH2 ARG 74 10.144 -16.982 7.198 611 HH22 ARG 74 2HH2 ARG 74 8.843 -16.599 6.160 612 H ARG 75 H ARG 75 15.336 -11.951 9.030 613 HA ARG 75 HA ARG 75 17.905 -13.102 9.550 614 HB2 ARG 75 2HB ARG 75 16.783 -11.624 11.150 615 HB3 ARG 75 1HB ARG 75 15.485 -12.795 11.322 616 HG2 ARG 75 2HG ARG 75 17.261 -14.436 12.093 617 HG3 ARG 75 1HG ARG 75 18.338 -13.045 12.234 618 HD2 ARG 75 2HD ARG 75 17.292 -13.499 14.366 619 HD3 ARG 75 1HD ARG 75 16.684 -11.970 13.715 620 HE ARG 75 HE ARG 75 15.082 -14.260 13.029 621 HH11 ARG 75 1HH1 ARG 75 15.589 -11.746 15.473 622 HH12 ARG 75 2HH1 ARG 75 13.976 -11.827 16.040 623 HH21 ARG 75 1HH2 ARG 75 12.927 -14.364 13.820 624 HH22 ARG 75 2HH2 ARG 75 12.452 -13.331 15.092 625 H SER 76 H SER 76 14.560 -14.228 10.096 626 HA SER 76 HA SER 76 15.536 -16.907 10.433 627 HB2 SER 76 2HB SER 76 12.754 -15.759 10.713 628 HB3 SER 76 1HB SER 76 13.277 -17.364 11.223 629 HG SER 76 HG SER 76 14.249 -16.568 12.887 630 H SER 77 H SER 77 16.102 -17.571 8.411 631 HA SER 77 HA SER 77 14.414 -17.247 6.151 632 HB2 SER 77 2HB SER 77 16.142 -18.684 5.056 633 HB3 SER 77 1HB SER 77 16.827 -17.281 5.872 634 HG SER 77 HG SER 77 16.538 -19.784 7.079 Start of MODEL 8 1 H1 GLY 1 1HT GLY 1 7.849 20.901 -0.335 2 H2 GLY 1 2HT GLY 1 7.661 22.186 0.771 3 H3 GLY 1 3HT GLY 1 6.980 20.698 1.104 4 HA2 GLY 1 1HA GLY 1 9.113 19.682 1.326 5 HA3 GLY 1 2HA GLY 1 9.871 21.209 0.884 6 H THR 2 H THR 2 8.978 19.277 3.401 7 HA THR 2 HA THR 2 9.028 21.544 5.271 8 HB THR 2 HB THR 2 7.608 20.115 6.774 9 HG1 THR 2 1HG THR 2 7.764 18.395 4.549 10 HG21 THR 2 3HG2 THR 2 6.564 21.904 5.459 11 HG22 THR 2 1HG2 THR 2 5.478 20.524 5.603 12 HG23 THR 2 2HG2 THR 2 6.363 20.802 4.102 13 H ASN 3 H ASN 3 10.017 20.986 7.363 14 HA ASN 3 HA ASN 3 12.031 18.919 7.101 15 HB2 ASN 3 2HB ASN 3 12.603 21.140 8.175 16 HB3 ASN 3 1HB ASN 3 11.475 20.756 9.467 17 HD21 ASN 3 1HD2 ASN 3 14.297 21.295 9.614 18 HD22 ASN 3 2HD2 ASN 3 15.049 19.920 10.338 19 H ASP 4 H ASP 4 10.768 17.175 7.012 20 HA ASP 4 HA ASP 4 9.715 16.074 9.456 21 HB2 ASP 4 2HB ASP 4 7.888 17.601 8.378 22 HB3 ASP 4 1HB ASP 4 7.875 16.440 7.066 23 H ALA 5 H ALA 5 8.538 13.904 8.366 24 HA ALA 5 HA ALA 5 10.602 12.822 6.656 25 HB1 ALA 5 1HB ALA 5 9.773 11.427 8.511 26 HB2 ALA 5 2HB ALA 5 9.436 10.667 6.954 27 HB3 ALA 5 3HB ALA 5 8.147 11.499 7.829 28 H GLU 6 H GLU 6 7.474 13.848 6.694 29 HA GLU 6 HA GLU 6 5.712 13.992 5.353 30 HB2 GLU 6 2HB GLU 6 5.991 15.251 3.296 31 HB3 GLU 6 1HB GLU 6 6.733 15.995 4.693 32 HG2 GLU 6 2HG GLU 6 8.938 15.291 3.885 33 HG3 GLU 6 1HG GLU 6 8.167 14.486 2.517 34 H ASP 7 H ASP 7 7.672 11.618 4.444 35 HA ASP 7 HA ASP 7 6.075 10.756 2.205 36 HB2 ASP 7 2HB ASP 7 8.481 10.152 2.253 37 HB3 ASP 7 1HB ASP 7 8.178 9.256 3.741 38 H CYS 8 H CYS 8 4.254 10.997 3.259 39 HA CYS 8 HA CYS 8 3.277 8.610 4.525 40 HB2 CYS 8 2HB CYS 8 2.073 9.907 6.248 41 HB3 CYS 8 1HB CYS 8 3.810 10.088 6.425 42 H CYS 9 H CYS 9 0.723 9.040 4.650 43 HA CYS 9 HA CYS 9 0.251 10.007 1.959 44 HB2 CYS 9 2HB CYS 9 -0.393 7.589 3.050 45 HB3 CYS 9 1HB CYS 9 -1.893 8.498 3.240 46 H LEU 10 H LEU 10 -2.190 10.725 1.726 47 HA LEU 10 HA LEU 10 -2.402 12.955 3.569 48 HB2 LEU 10 2HB LEU 10 -2.406 13.302 1.082 49 HB3 LEU 10 1HB LEU 10 -3.902 12.414 0.988 50 HG LEU 10 HG LEU 10 -4.166 14.876 0.749 51 HD11 LEU 10 1HD1 LEU 10 -5.539 13.784 3.187 52 HD12 LEU 10 2HD1 LEU 10 -6.075 13.611 1.517 53 HD13 LEU 10 3HD1 LEU 10 -6.023 15.205 2.264 54 HD21 LEU 10 3HD2 LEU 10 -2.390 15.600 2.231 55 HD22 LEU 10 1HD2 LEU 10 -3.271 14.977 3.625 56 HD23 LEU 10 2HD2 LEU 10 -3.928 16.324 2.702 57 H SER 11 H SER 11 -4.718 10.694 2.029 58 HA SER 11 HA SER 11 -5.991 9.742 4.324 59 HB2 SER 11 2HB SER 11 -7.478 11.981 2.863 60 HB3 SER 11 1HB SER 11 -8.227 10.880 4.015 61 HG SER 11 HG SER 11 -5.982 12.212 4.915 62 H VAL 12 H VAL 12 -7.900 8.364 3.543 63 HA VAL 12 HA VAL 12 -7.288 7.691 0.757 64 HB VAL 12 HB VAL 12 -7.866 5.528 1.086 65 HG11 VAL 12 1HG1 VAL 12 -5.977 5.853 2.410 66 HG12 VAL 12 2HG1 VAL 12 -7.012 4.695 3.233 67 HG13 VAL 12 3HG1 VAL 12 -6.934 6.366 3.796 68 HG21 VAL 12 3HG2 VAL 12 -9.658 6.218 3.438 69 HG22 VAL 12 1HG2 VAL 12 -9.332 4.595 2.764 70 HG23 VAL 12 2HG2 VAL 12 -10.134 5.793 1.778 71 H THR 13 H THR 13 -9.057 7.015 -0.575 72 HA THR 13 HA THR 13 -11.363 8.737 -0.081 73 HB THR 13 HB THR 13 -10.088 9.421 -2.089 74 HG1 THR 13 1HG THR 13 -11.927 9.982 -2.762 75 HG21 THR 13 3HG2 THR 13 -9.147 7.260 -2.708 76 HG22 THR 13 1HG2 THR 13 -9.989 7.984 -4.078 77 HG23 THR 13 2HG2 THR 13 -10.749 6.682 -3.167 78 H GLN 14 H GLN 14 -13.274 7.840 -1.594 79 HA GLN 14 HA GLN 14 -14.680 5.870 -0.311 80 HB2 GLN 14 2HB GLN 14 -14.694 6.357 -3.290 81 HB3 GLN 14 1HB GLN 14 -15.990 5.609 -2.369 82 HG2 GLN 14 2HG GLN 14 -16.425 7.664 -1.207 83 HG3 GLN 14 1HG GLN 14 -15.018 8.425 -1.942 84 HE21 GLN 14 1HE2 GLN 14 -17.801 9.212 -2.002 85 HE22 GLN 14 2HE2 GLN 14 -18.237 9.301 -3.675 86 H LYS 15 H LYS 15 -12.770 5.333 -3.257 87 HA LYS 15 HA LYS 15 -11.592 3.056 -2.121 88 HB2 LYS 15 2HB LYS 15 -13.630 1.986 -3.048 89 HB3 LYS 15 1HB LYS 15 -13.248 2.648 -4.633 90 HG2 LYS 15 2HG LYS 15 -11.183 1.390 -4.687 91 HG3 LYS 15 1HG LYS 15 -11.528 0.745 -3.089 92 HD2 LYS 15 2HD LYS 15 -12.100 -0.909 -4.818 93 HD3 LYS 15 1HD LYS 15 -13.545 -0.360 -3.974 94 HE2 LYS 15 2HE LYS 15 -14.096 1.120 -5.821 95 HE3 LYS 15 1HE LYS 15 -12.600 0.680 -6.642 96 HZ1 LYS 15 3HZ LYS 15 -14.776 -1.245 -5.995 97 HZ2 LYS 15 1HZ LYS 15 -13.387 -1.555 -6.860 98 HZ3 LYS 15 2HZ LYS 15 -14.535 -0.523 -7.508 99 HA PRO 16 HA PRO 16 -8.663 5.766 -4.180 100 HB2 PRO 16 2HB PRO 16 -6.579 3.859 -3.676 101 HB3 PRO 16 1HB PRO 16 -6.960 5.344 -2.818 102 HG2 PRO 16 2HG PRO 16 -7.729 2.554 -2.086 103 HG3 PRO 16 1HG PRO 16 -7.473 3.990 -1.132 104 HD2 PRO 16 2HD PRO 16 -9.826 3.003 -1.538 105 HD3 PRO 16 1HD PRO 16 -9.467 4.721 -1.353 106 H ILE 17 H ILE 17 -7.659 2.388 -4.902 107 HA ILE 17 HA ILE 17 -8.086 2.927 -7.727 108 HB ILE 17 HB ILE 17 -5.881 2.136 -8.374 109 HG12 ILE 17 2HG1 ILE 17 -5.200 0.801 -6.417 110 HG13 ILE 17 1HG1 ILE 17 -3.949 1.940 -6.866 111 HG21 ILE 17 1HG2 ILE 17 -5.751 4.608 -6.734 112 HG22 ILE 17 2HG2 ILE 17 -6.128 4.442 -8.447 113 HG23 ILE 17 3HG2 ILE 17 -4.502 4.090 -7.864 114 HD11 ILE 17 3HD1 ILE 17 -5.850 2.154 -4.532 115 HD12 ILE 17 1HD1 ILE 17 -4.666 3.382 -4.985 116 HD13 ILE 17 2HD1 ILE 17 -4.125 1.783 -4.479 117 HA PRO 18 HA PRO 18 -8.872 -1.485 -7.856 118 HB2 PRO 18 2HB PRO 18 -6.887 -1.733 -10.060 119 HB3 PRO 18 1HB PRO 18 -8.581 -2.228 -10.030 120 HG2 PRO 18 2HG PRO 18 -7.835 -0.101 -11.416 121 HG3 PRO 18 1HG PRO 18 -9.350 -0.096 -10.491 122 HD2 PRO 18 2HD PRO 18 -6.721 1.135 -9.832 123 HD3 PRO 18 1HD PRO 18 -8.354 1.801 -9.607 124 H GLY 19 H GLY 19 -7.981 -2.959 -6.567 125 HA2 GLY 19 2HA GLY 19 -5.375 -2.571 -5.477 126 HA3 GLY 19 1HA GLY 19 -6.486 -3.871 -5.105 127 H TYR 20 H TYR 20 -6.124 -3.909 -8.283 128 HA TYR 20 HA TYR 20 -4.206 -6.074 -8.165 129 HB2 TYR 20 2HB TYR 20 -5.908 -5.181 -10.502 130 HB3 TYR 20 1HB TYR 20 -4.922 -6.634 -10.326 131 HD1 TYR 20 1HD TYR 20 -5.604 -8.462 -8.907 132 HD2 TYR 20 2HD TYR 20 -8.067 -5.046 -9.447 133 HE1 TYR 20 1HE TYR 20 -7.512 -9.702 -8.007 134 HE2 TYR 20 2HE TYR 20 -9.987 -6.283 -8.545 135 HH TYR 20 HH TYR 20 -10.685 -8.583 -8.315 136 H ILE 21 H ILE 21 -4.203 -2.724 -8.947 137 HA ILE 21 HA ILE 21 -2.043 -3.047 -10.917 138 HB ILE 21 HB ILE 21 -2.206 -0.656 -11.366 139 HG12 ILE 21 2HG1 ILE 21 -4.401 -0.577 -9.276 140 HG13 ILE 21 1HG1 ILE 21 -2.777 0.068 -9.059 141 HG21 ILE 21 1HG2 ILE 21 -4.482 -0.568 -12.293 142 HG22 ILE 21 2HG2 ILE 21 -4.900 -1.998 -11.348 143 HG23 ILE 21 3HG2 ILE 21 -3.680 -2.107 -12.616 144 HD11 ILE 21 3HD1 ILE 21 -4.836 1.023 -11.038 145 HD12 ILE 21 1HD1 ILE 21 -3.192 1.648 -10.892 146 HD13 ILE 21 2HD1 ILE 21 -4.318 1.845 -9.560 147 H VAL 22 H VAL 22 -2.068 -3.207 -7.826 148 HA VAL 22 HA VAL 22 0.130 -1.368 -7.330 149 HB VAL 22 HB VAL 22 -1.586 -1.149 -5.685 150 HG11 VAL 22 1HG1 VAL 22 -2.780 -3.142 -5.937 151 HG12 VAL 22 2HG1 VAL 22 -2.242 -3.031 -4.255 152 HG13 VAL 22 3HG1 VAL 22 -1.403 -4.111 -5.376 153 HG21 VAL 22 3HG2 VAL 22 0.682 -2.757 -4.560 154 HG22 VAL 22 1HG2 VAL 22 -0.443 -1.778 -3.630 155 HG23 VAL 22 2HG2 VAL 22 0.641 -1.007 -4.792 156 H ARG 23 H ARG 23 2.059 -1.904 -6.681 157 HA ARG 23 HA ARG 23 2.914 -4.678 -7.255 158 HB2 ARG 23 2HB ARG 23 3.840 -2.378 -8.402 159 HB3 ARG 23 1HB ARG 23 4.730 -2.354 -6.939 160 HG2 ARG 23 2HG ARG 23 4.878 -4.709 -8.800 161 HG3 ARG 23 1HG ARG 23 5.996 -3.354 -8.829 162 HD2 ARG 23 2HD ARG 23 6.638 -3.864 -6.512 163 HD3 ARG 23 1HD ARG 23 5.519 -5.228 -6.513 164 HE ARG 23 HE ARG 23 7.110 -5.665 -8.650 165 HH11 ARG 23 1HH1 ARG 23 7.757 -5.138 -5.178 166 HH12 ARG 23 2HH1 ARG 23 9.165 -6.086 -5.159 167 HH21 ARG 23 1HH2 ARG 23 9.058 -6.962 -8.600 168 HH22 ARG 23 2HH2 ARG 23 9.921 -7.153 -7.149 169 H ASN 24 H ASN 24 3.637 -1.913 -5.122 170 HA ASN 24 HA ASN 24 4.305 -3.773 -2.936 171 HB2 ASN 24 2HB ASN 24 5.677 -1.124 -3.522 172 HB3 ASN 24 1HB ASN 24 5.886 -2.039 -2.044 173 HD21 ASN 24 1HD2 ASN 24 6.805 -1.665 -5.350 174 HD22 ASN 24 2HD2 ASN 24 8.019 -2.856 -5.347 175 H PHE 25 H PHE 25 3.936 -2.836 -0.800 176 HA PHE 25 HA PHE 25 2.226 -0.502 -0.795 177 HB2 PHE 25 2HB PHE 25 0.597 -1.597 0.637 178 HB3 PHE 25 1HB PHE 25 0.676 -2.413 -0.893 179 HD1 PHE 25 1HD PHE 25 1.887 -4.584 -1.124 180 HD2 PHE 25 2HD PHE 25 1.152 -2.812 2.674 181 HE1 PHE 25 1HE PHE 25 2.346 -6.725 -0.051 182 HE2 PHE 25 2HE PHE 25 1.611 -4.967 3.765 183 HZ PHE 25 HZ PHE 25 2.208 -6.939 2.396 184 H HIS 26 H HIS 26 2.169 0.474 1.337 185 HA HIS 26 HA HIS 26 4.134 -0.622 3.222 186 HB2 HIS 26 2HB HIS 26 4.076 2.283 2.333 187 HB3 HIS 26 1HB HIS 26 5.027 1.658 3.666 188 HD1 HIS 26 1HD HIS 26 5.331 2.572 0.197 189 HD2 HIS 26 2HD HIS 26 6.976 -0.409 2.610 190 HE1 HIS 26 1HE HIS 26 7.382 1.852 -0.946 191 HE2 HIS 26 2HE HIS 26 8.495 0.263 0.599 192 H TYR 27 H TYR 27 3.340 -0.658 5.229 193 HA TYR 27 HA TYR 27 0.808 0.550 5.730 194 HB2 TYR 27 2HB TYR 27 2.683 -0.967 7.537 195 HB3 TYR 27 1HB TYR 27 1.141 -0.312 8.067 196 HD1 TYR 27 2HD TYR 27 -0.803 -0.921 6.193 197 HD2 TYR 27 1HD TYR 27 2.651 -3.220 7.171 198 HE1 TYR 27 2HE TYR 27 -1.928 -2.855 5.467 199 HE2 TYR 27 1HE TYR 27 1.499 -5.245 6.413 200 HH TYR 27 HH TYR 27 -0.805 -6.017 6.136 201 H LEU 28 H LEU 28 0.950 2.772 5.871 202 HA LEU 28 HA LEU 28 3.098 3.784 7.511 203 HB2 LEU 28 2HB LEU 28 1.262 5.231 5.639 204 HB3 LEU 28 1HB LEU 28 2.507 5.992 6.606 205 HG LEU 28 HG LEU 28 2.874 4.097 4.289 206 HD11 LEU 28 1HD1 LEU 28 3.789 6.832 4.867 207 HD12 LEU 28 2HD1 LEU 28 2.431 6.429 3.800 208 HD13 LEU 28 3HD1 LEU 28 4.099 5.980 3.348 209 HD21 LEU 28 3HD2 LEU 28 4.991 5.153 6.176 210 HD22 LEU 28 1HD2 LEU 28 5.296 4.291 4.668 211 HD23 LEU 28 2HD2 LEU 28 4.493 3.469 6.000 212 H LEU 29 H LEU 29 2.786 4.767 9.234 213 HA LEU 29 HA LEU 29 0.048 4.889 10.316 214 HB2 LEU 29 2HB LEU 29 2.440 3.645 11.678 215 HB3 LEU 29 1HB LEU 29 0.854 3.849 12.389 216 HG LEU 29 HG LEU 29 1.524 2.081 10.056 217 HD11 LEU 29 1HD1 LEU 29 1.136 0.237 11.626 218 HD12 LEU 29 2HD1 LEU 29 0.914 1.404 12.931 219 HD13 LEU 29 3HD1 LEU 29 2.480 1.261 12.135 220 HD21 LEU 29 3HD2 LEU 29 -0.773 2.889 9.947 221 HD22 LEU 29 1HD2 LEU 29 -1.048 2.382 11.612 222 HD23 LEU 29 2HD2 LEU 29 -0.742 1.178 10.360 223 H ILE 30 H ILE 30 0.285 5.932 12.614 224 HA ILE 30 HA ILE 30 1.650 8.434 12.176 225 HB ILE 30 HB ILE 30 0.447 7.543 14.809 226 HG12 ILE 30 2HG1 ILE 30 -0.953 8.914 12.484 227 HG13 ILE 30 1HG1 ILE 30 -1.198 7.245 12.956 228 HG21 ILE 30 1HG2 ILE 30 1.844 9.502 14.852 229 HG22 ILE 30 2HG2 ILE 30 0.164 10.071 15.000 230 HG23 ILE 30 3HG2 ILE 30 1.041 10.165 13.456 231 HD11 ILE 30 3HD1 ILE 30 -2.988 8.684 13.756 232 HD12 ILE 30 1HD1 ILE 30 -1.821 9.641 14.664 233 HD13 ILE 30 2HD1 ILE 30 -2.102 7.954 15.096 234 H LYS 31 H LYS 31 2.151 5.507 13.934 235 HA LYS 31 HA LYS 31 4.434 6.316 15.409 236 HB2 LYS 31 2HB LYS 31 3.651 3.583 14.401 237 HB3 LYS 31 1HB LYS 31 4.944 3.892 15.556 238 HG2 LYS 31 2HG LYS 31 3.327 4.789 17.135 239 HG3 LYS 31 1HG LYS 31 2.022 4.498 15.991 240 HD2 LYS 31 2HD LYS 31 3.825 2.389 17.177 241 HD3 LYS 31 1HD LYS 31 2.183 2.739 17.719 242 HE2 LYS 31 2HE LYS 31 1.335 2.106 15.503 243 HE3 LYS 31 1HE LYS 31 2.974 1.753 14.970 244 HZ1 LYS 31 3HZ LYS 31 1.812 -0.247 15.627 245 HZ2 LYS 31 1HZ LYS 31 1.533 0.382 17.165 246 HZ3 LYS 31 2HZ LYS 31 3.102 0.036 16.676 247 H ASP 32 H ASP 32 3.891 5.762 12.141 248 HA ASP 32 HA ASP 32 6.688 5.325 11.502 249 HB2 ASP 32 2HB ASP 32 4.908 4.186 10.150 250 HB3 ASP 32 1HB ASP 32 4.334 5.768 9.641 251 H GLY 33 H GLY 33 4.124 7.801 11.168 252 HA2 GLY 33 2HA GLY 33 6.053 9.891 11.528 253 HA3 GLY 33 1HA GLY 33 5.542 9.724 9.864 254 H CYS 34 H CYS 34 3.457 10.185 9.278 255 HA CYS 34 HA CYS 34 2.510 12.506 10.681 256 HB2 CYS 34 2HB CYS 34 1.384 11.186 8.208 257 HB3 CYS 34 1HB CYS 34 1.014 12.809 8.780 258 H ARG 35 H ARG 35 0.278 12.907 11.223 259 HA ARG 35 HA ARG 35 -0.823 10.871 12.890 260 HB2 ARG 35 2HB ARG 35 -1.776 13.645 12.224 261 HB3 ARG 35 1HB ARG 35 -2.565 12.605 13.395 262 HG2 ARG 35 2HG ARG 35 -0.456 12.519 14.684 263 HG3 ARG 35 1HG ARG 35 0.255 13.653 13.537 264 HD2 ARG 35 2HD ARG 35 -2.191 14.171 15.223 265 HD3 ARG 35 1HD ARG 35 -0.569 14.759 15.583 266 HE ARG 35 HE ARG 35 -0.915 15.789 13.178 267 HH11 ARG 35 1HH1 ARG 35 -3.259 15.662 15.829 268 HH12 ARG 35 2HH1 ARG 35 -3.976 17.153 15.426 269 HH21 ARG 35 1HH2 ARG 35 -1.929 17.812 12.648 270 HH22 ARG 35 2HH2 ARG 35 -3.218 18.395 13.587 271 H VAL 36 H VAL 36 -0.936 10.248 10.058 272 HA VAL 36 HA VAL 36 -3.728 9.545 9.996 273 HB VAL 36 HB VAL 36 -3.670 11.466 8.511 274 HG11 VAL 36 1HG1 VAL 36 -2.263 11.519 6.488 275 HG12 VAL 36 2HG1 VAL 36 -1.431 10.073 7.064 276 HG13 VAL 36 3HG1 VAL 36 -1.336 11.572 7.988 277 HG21 VAL 36 3HG2 VAL 36 -4.448 10.450 6.403 278 HG22 VAL 36 1HG2 VAL 36 -5.115 9.630 7.815 279 HG23 VAL 36 2HG2 VAL 36 -3.785 8.902 6.918 280 HA PRO 37 HA PRO 37 -1.415 5.850 9.075 281 HB2 PRO 37 2HB PRO 37 -2.951 4.132 10.453 282 HB3 PRO 37 1HB PRO 37 -1.875 5.258 11.262 283 HG2 PRO 37 2HG PRO 37 -4.825 5.409 10.953 284 HG3 PRO 37 1HG PRO 37 -3.812 5.921 12.311 285 HD2 PRO 37 2HD PRO 37 -4.852 7.568 10.265 286 HD3 PRO 37 1HD PRO 37 -3.608 8.012 11.451 287 H ALA 38 H ALA 38 -1.591 4.711 7.278 288 HA ALA 38 HA ALA 38 -3.972 3.558 6.262 289 HB1 ALA 38 1HB ALA 38 -2.872 5.959 4.782 290 HB2 ALA 38 2HB ALA 38 -4.437 5.882 5.594 291 HB3 ALA 38 3HB ALA 38 -4.122 4.866 4.186 292 H VAL 39 H VAL 39 -3.482 2.333 4.290 293 HA VAL 39 HA VAL 39 -0.622 1.857 4.161 294 HB VAL 39 HB VAL 39 -1.962 -0.148 4.662 295 HG11 VAL 39 1HG1 VAL 39 -4.036 0.402 3.592 296 HG12 VAL 39 2HG1 VAL 39 -3.418 -1.168 3.068 297 HG13 VAL 39 3HG1 VAL 39 -3.264 0.227 1.997 298 HG21 VAL 39 3HG2 VAL 39 -1.088 -1.646 2.917 299 HG22 VAL 39 1HG2 VAL 39 0.112 -0.470 3.458 300 HG23 VAL 39 2HG2 VAL 39 -0.718 -0.234 1.923 301 H VAL 40 H VAL 40 0.480 2.435 2.461 302 HA VAL 40 HA VAL 40 -1.063 3.659 0.384 303 HB VAL 40 HB VAL 40 0.943 4.760 -0.306 304 HG11 VAL 40 1HG1 VAL 40 1.383 6.114 1.688 305 HG12 VAL 40 2HG1 VAL 40 0.594 4.870 2.659 306 HG13 VAL 40 3HG1 VAL 40 -0.341 5.779 1.467 307 HG21 VAL 40 3HG2 VAL 40 2.346 3.234 1.869 308 HG22 VAL 40 1HG2 VAL 40 3.057 4.534 0.883 309 HG23 VAL 40 2HG2 VAL 40 2.522 3.026 0.124 310 H PHE 41 H PHE 41 -1.234 2.910 -1.469 311 HA PHE 41 HA PHE 41 0.102 0.431 -2.143 312 HB2 PHE 41 2HB PHE 41 -2.335 1.778 -3.176 313 HB3 PHE 41 1HB PHE 41 -1.558 0.581 -4.178 314 HD1 PHE 41 2HD PHE 41 -0.744 -1.289 -1.841 315 HD2 PHE 41 1HD PHE 41 -4.386 0.705 -2.794 316 HE1 PHE 41 2HE PHE 41 -1.985 -3.045 -0.712 317 HE2 PHE 41 1HE PHE 41 -5.638 -1.057 -1.657 318 HZ PHE 41 HZ PHE 41 -4.425 -2.967 -0.627 319 H THR 42 H THR 42 1.831 0.426 -3.246 320 HA THR 42 HA THR 42 2.626 2.641 -4.929 321 HB THR 42 HB THR 42 3.844 -0.082 -4.431 322 HG1 THR 42 1HG THR 42 3.828 2.063 -2.956 323 HG21 THR 42 3HG2 THR 42 5.896 0.817 -5.511 324 HG22 THR 42 1HG2 THR 42 4.991 2.254 -5.997 325 HG23 THR 42 2HG2 THR 42 4.548 0.650 -6.623 326 H THR 43 H THR 43 1.490 2.800 -6.776 327 HA THR 43 HA THR 43 0.376 0.512 -8.071 328 HB THR 43 HB THR 43 -0.319 2.166 -9.807 329 HG1 THR 43 1HG THR 43 0.516 4.241 -8.134 330 HG21 THR 43 3HG2 THR 43 -0.877 2.949 -6.934 331 HG22 THR 43 1HG2 THR 43 -1.720 1.694 -7.837 332 HG23 THR 43 2HG2 THR 43 -1.872 3.383 -8.328 333 H LEU 44 H LEU 44 0.707 0.340 -10.579 334 HA LEU 44 HA LEU 44 3.300 -0.440 -11.143 335 HB2 LEU 44 2HB LEU 44 1.023 0.280 -12.970 336 HB3 LEU 44 1HB LEU 44 2.466 -0.587 -13.433 337 HG LEU 44 HG LEU 44 0.337 -1.558 -11.520 338 HD11 LEU 44 1HD1 LEU 44 -0.405 -1.583 -13.826 339 HD12 LEU 44 2HD1 LEU 44 -0.142 -3.225 -13.241 340 HD13 LEU 44 3HD1 LEU 44 1.045 -2.467 -14.298 341 HD21 LEU 44 3HD2 LEU 44 2.527 -2.398 -10.847 342 HD22 LEU 44 1HD2 LEU 44 2.836 -2.950 -12.496 343 HD23 LEU 44 2HD2 LEU 44 1.554 -3.692 -11.540 344 H ARG 45 H ARG 45 1.626 2.546 -11.507 345 HA ARG 45 HA ARG 45 3.443 3.843 -13.261 346 HB2 ARG 45 2HB ARG 45 1.088 4.590 -12.756 347 HB3 ARG 45 1HB ARG 45 1.652 5.114 -11.181 348 HG2 ARG 45 2HG ARG 45 1.482 7.002 -12.686 349 HG3 ARG 45 1HG ARG 45 3.173 6.709 -12.271 350 HD2 ARG 45 2HD ARG 45 3.526 5.560 -14.376 351 HD3 ARG 45 1HD ARG 45 1.822 5.738 -14.786 352 HE ARG 45 HE ARG 45 2.944 8.254 -14.303 353 HH11 ARG 45 1HH1 ARG 45 3.136 5.648 -16.679 354 HH12 ARG 45 2HH1 ARG 45 3.467 6.661 -17.995 355 HH21 ARG 45 1HH2 ARG 45 3.387 9.663 -16.094 356 HH22 ARG 45 2HH2 ARG 45 3.622 9.030 -17.647 357 H GLY 46 H GLY 46 3.343 3.256 -9.839 358 HA2 GLY 46 2HA GLY 46 5.291 3.263 -8.479 359 HA3 GLY 46 1HA GLY 46 5.993 4.476 -9.539 360 H ARG 47 H ARG 47 2.810 5.156 -8.913 361 HA ARG 47 HA ARG 47 3.495 7.298 -7.054 362 HB2 ARG 47 2HB ARG 47 1.967 7.291 -9.305 363 HB3 ARG 47 1HB ARG 47 0.831 6.692 -8.097 364 HG2 ARG 47 2HG ARG 47 2.246 9.295 -7.828 365 HG3 ARG 47 1HG ARG 47 0.697 9.163 -8.652 366 HD2 ARG 47 2HD ARG 47 -0.222 8.218 -6.494 367 HD3 ARG 47 1HD ARG 47 1.321 8.625 -5.738 368 HE ARG 47 HE ARG 47 0.232 10.855 -7.096 369 HH11 ARG 47 1HH1 ARG 47 -0.099 9.066 -4.050 370 HH12 ARG 47 2HH1 ARG 47 -0.835 10.366 -3.233 371 HH21 ARG 47 1HH2 ARG 47 -0.795 12.599 -5.935 372 HH22 ARG 47 2HH2 ARG 47 -1.267 12.372 -4.313 373 H GLN 48 H GLN 48 2.787 7.102 -4.929 374 HA GLN 48 HA GLN 48 1.431 4.592 -4.240 375 HB2 GLN 48 2HB GLN 48 2.735 6.564 -2.338 376 HB3 GLN 48 1HB GLN 48 2.123 4.972 -1.944 377 HG2 GLN 48 2HG GLN 48 3.842 3.990 -3.434 378 HG3 GLN 48 1HG GLN 48 4.502 5.606 -3.664 379 HE21 GLN 48 1HE2 GLN 48 5.469 6.658 -1.874 380 HE22 GLN 48 2HE2 GLN 48 6.039 5.769 -0.522 381 H LEU 49 H LEU 49 -0.496 4.606 -3.076 382 HA LEU 49 HA LEU 49 -1.698 7.251 -2.712 383 HB2 LEU 49 2HB LEU 49 -2.400 6.325 -4.916 384 HB3 LEU 49 1HB LEU 49 -3.093 4.955 -4.080 385 HG LEU 49 HG LEU 49 -4.690 6.457 -2.936 386 HD11 LEU 49 1HD1 LEU 49 -3.469 8.613 -4.655 387 HD12 LEU 49 2HD1 LEU 49 -3.382 8.497 -2.896 388 HD13 LEU 49 3HD1 LEU 49 -4.934 8.778 -3.684 389 HD21 LEU 49 3HD2 LEU 49 -5.377 5.400 -4.961 390 HD22 LEU 49 1HD2 LEU 49 -4.655 6.686 -5.941 391 HD23 LEU 49 2HD2 LEU 49 -6.049 7.020 -4.904 392 H CYS 50 H CYS 50 -3.406 7.319 -1.152 393 HA CYS 50 HA CYS 50 -2.915 5.598 1.060 394 HB2 CYS 50 2HB CYS 50 -5.224 7.468 0.787 395 HB3 CYS 50 1HB CYS 50 -4.242 7.104 2.200 396 H ALA 51 H ALA 51 -3.980 3.574 1.271 397 HA ALA 51 HA ALA 51 -6.769 3.609 0.460 398 HB1 ALA 51 1HB ALA 51 -6.668 1.394 -0.354 399 HB2 ALA 51 2HB ALA 51 -4.967 1.170 0.156 400 HB3 ALA 51 3HB ALA 51 -5.425 2.293 -1.142 401 HA PRO 52 HA PRO 52 -7.747 2.654 4.503 402 HB2 PRO 52 2HB PRO 52 -10.010 1.283 4.293 403 HB3 PRO 52 1HB PRO 52 -9.920 2.968 3.761 404 HG2 PRO 52 2HG PRO 52 -9.660 0.455 2.155 405 HG3 PRO 52 1HG PRO 52 -10.717 1.804 1.768 406 HD2 PRO 52 2HD PRO 52 -8.371 1.434 0.628 407 HD3 PRO 52 1HD PRO 52 -8.905 3.080 0.993 408 HA PRO 53 HA PRO 53 -5.841 -1.487 5.030 409 HB2 PRO 53 2HB PRO 53 -5.497 -0.636 7.817 410 HB3 PRO 53 1HB PRO 53 -4.264 -1.078 6.635 411 HG2 PRO 53 2HG PRO 53 -4.612 1.464 7.486 412 HG3 PRO 53 1HG PRO 53 -4.049 1.073 5.854 413 HD2 PRO 53 2HD PRO 53 -6.763 1.920 6.777 414 HD3 PRO 53 1HD PRO 53 -5.877 2.354 5.300 415 H ASP 54 H ASP 54 -8.411 0.030 6.654 416 HA ASP 54 HA ASP 54 -9.132 -2.264 8.278 417 HB2 ASP 54 2HB ASP 54 -9.424 -0.043 9.231 418 HB3 ASP 54 1HB ASP 54 -10.453 0.414 7.886 419 H GLN 55 H GLN 55 -9.782 -1.174 5.123 420 HA GLN 55 HA GLN 55 -12.410 -2.361 5.007 421 HB2 GLN 55 2HB GLN 55 -10.733 -1.064 2.876 422 HB3 GLN 55 1HB GLN 55 -12.327 -1.738 2.602 423 HG2 GLN 55 2HG GLN 55 -11.787 0.436 4.593 424 HG3 GLN 55 1HG GLN 55 -12.253 0.754 2.925 425 HE21 GLN 55 1HE2 GLN 55 -14.322 0.274 2.303 426 HE22 GLN 55 2HE2 GLN 55 -15.603 0.014 3.429 427 HA PRO 56 HA PRO 56 -11.190 -6.542 4.255 428 HB2 PRO 56 2HB PRO 56 -13.644 -6.355 2.560 429 HB3 PRO 56 1HB PRO 56 -13.166 -7.608 3.712 430 HG2 PRO 56 2HG PRO 56 -14.950 -5.804 4.418 431 HG3 PRO 56 1HG PRO 56 -13.678 -6.295 5.555 432 HD2 PRO 56 2HD PRO 56 -13.941 -3.779 3.987 433 HD3 PRO 56 1HD PRO 56 -13.263 -4.059 5.604 434 H TRP 57 H TRP 57 -12.167 -4.543 1.418 435 HA TRP 57 HA TRP 57 -11.173 -6.340 -0.499 436 HB2 TRP 57 2HB TRP 57 -11.376 -4.588 -2.163 437 HB3 TRP 57 1HB TRP 57 -12.721 -4.418 -1.054 438 HD1 TRP 57 HD1 TRP 57 -12.617 -2.120 0.614 439 HE1 TRP 57 1HE TRP 57 -11.470 0.089 0.246 440 HE3 TRP 57 3HE TRP 57 -9.391 -3.471 -3.154 441 HZ2 TRP 57 2HZ TRP 57 -9.408 1.182 -1.414 442 HZ3 TRP 57 3HZ TRP 57 -7.874 -1.725 -4.048 443 HH2 TRP 57 HH2 TRP 57 -7.910 0.524 -3.191 444 H VAL 58 H VAL 58 -9.582 -3.867 1.345 445 HA VAL 58 HA VAL 58 -7.173 -3.868 -0.148 446 HB VAL 58 HB VAL 58 -7.823 -2.807 2.624 447 HG11 VAL 58 1HG1 VAL 58 -5.280 -2.404 1.040 448 HG12 VAL 58 2HG1 VAL 58 -5.427 -3.386 2.502 449 HG13 VAL 58 3HG1 VAL 58 -5.694 -1.646 2.576 450 HG21 VAL 58 3HG2 VAL 58 -7.319 -1.443 -0.014 451 HG22 VAL 58 1HG2 VAL 58 -7.635 -0.636 1.508 452 HG23 VAL 58 2HG2 VAL 58 -8.880 -1.643 0.772 453 H GLU 59 H GLU 59 -8.253 -5.552 2.733 454 HA GLU 59 HA GLU 59 -5.782 -6.621 3.462 455 HB2 GLU 59 2HB GLU 59 -8.512 -7.838 3.881 456 HB3 GLU 59 1HB GLU 59 -7.045 -8.351 4.699 457 HG2 GLU 59 2HG GLU 59 -6.840 -6.074 5.663 458 HG3 GLU 59 1HG GLU 59 -8.385 -5.662 4.925 459 H ARG 60 H ARG 60 -8.253 -8.021 1.338 460 HA ARG 60 HA ARG 60 -6.784 -10.351 0.829 461 HB2 ARG 60 2HB ARG 60 -9.265 -9.225 -0.163 462 HB3 ARG 60 1HB ARG 60 -8.390 -10.143 -1.384 463 HG2 ARG 60 2HG ARG 60 -9.989 -11.510 -0.149 464 HG3 ARG 60 1HG ARG 60 -8.317 -12.060 0.043 465 HD2 ARG 60 2HD ARG 60 -9.418 -12.216 2.162 466 HD3 ARG 60 1HD ARG 60 -8.280 -10.880 2.242 467 HE ARG 60 HE ARG 60 -10.820 -9.944 1.489 468 HH11 ARG 60 1HH1 ARG 60 -9.005 -11.107 4.284 469 HH12 ARG 60 2HH1 ARG 60 -10.045 -10.437 5.439 470 HH21 ARG 60 1HH2 ARG 60 -12.263 -9.037 3.052 471 HH22 ARG 60 2HH2 ARG 60 -11.957 -9.222 4.731 472 H ILE 61 H ILE 61 -6.771 -7.312 -0.976 473 HA ILE 61 HA ILE 61 -5.110 -8.435 -2.986 474 HB ILE 61 HB ILE 61 -4.611 -5.978 -3.601 475 HG12 ILE 61 2HG1 ILE 61 -6.704 -5.569 -1.470 476 HG13 ILE 61 1HG1 ILE 61 -5.031 -5.041 -1.400 477 HG21 ILE 61 1HG2 ILE 61 -6.842 -5.685 -4.599 478 HG22 ILE 61 2HG2 ILE 61 -7.459 -6.981 -3.578 479 HG23 ILE 61 3HG2 ILE 61 -6.230 -7.300 -4.812 480 HD11 ILE 61 3HD1 ILE 61 -7.154 -4.085 -3.279 481 HD12 ILE 61 1HD1 ILE 61 -5.464 -3.570 -3.303 482 HD13 ILE 61 2HD1 ILE 61 -6.470 -3.212 -1.907 483 H ILE 62 H ILE 62 -4.421 -6.739 -0.005 484 HA ILE 62 HA ILE 62 -1.650 -6.592 -0.253 485 HB ILE 62 HB ILE 62 -3.364 -7.007 2.208 486 HG12 ILE 62 2HG1 ILE 62 -1.985 -4.582 1.056 487 HG13 ILE 62 1HG1 ILE 62 -3.709 -4.903 1.068 488 HG21 ILE 62 1HG2 ILE 62 -1.422 -6.369 3.558 489 HG22 ILE 62 2HG2 ILE 62 -0.416 -6.393 2.109 490 HG23 ILE 62 3HG2 ILE 62 -1.151 -7.881 2.693 491 HD11 ILE 62 3HD1 ILE 62 -3.735 -4.753 3.506 492 HD12 ILE 62 1HD1 ILE 62 -3.105 -3.278 2.770 493 HD13 ILE 62 2HD1 ILE 62 -2.000 -4.440 3.506 494 H GLN 63 H GLN 63 -3.620 -9.206 1.085 495 HA GLN 63 HA GLN 63 -1.630 -11.095 1.677 496 HB2 GLN 63 2HB GLN 63 -4.418 -11.597 0.608 497 HB3 GLN 63 1HB GLN 63 -3.387 -12.810 1.343 498 HG2 GLN 63 2HG GLN 63 -4.342 -10.345 2.773 499 HG3 GLN 63 1HG GLN 63 -5.189 -11.885 2.796 500 HE21 GLN 63 1HE2 GLN 63 -4.971 -12.014 4.983 501 HE22 GLN 63 2HE2 GLN 63 -3.497 -12.413 5.783 502 H ARG 64 H ARG 64 -3.231 -10.339 -1.328 503 HA ARG 64 HA ARG 64 -2.148 -12.460 -2.849 504 HB2 ARG 64 2HB ARG 64 -4.176 -11.205 -3.441 505 HB3 ARG 64 1HB ARG 64 -3.180 -9.795 -3.764 506 HG2 ARG 64 2HG ARG 64 -2.047 -10.956 -5.529 507 HG3 ARG 64 1HG ARG 64 -2.970 -12.426 -5.198 508 HD2 ARG 64 2HD ARG 64 -4.088 -9.792 -5.889 509 HD3 ARG 64 1HD ARG 64 -3.868 -11.063 -7.111 510 HE ARG 64 HE ARG 64 -5.567 -11.521 -4.735 511 HH11 ARG 64 1HH1 ARG 64 -5.308 -11.308 -8.254 512 HH12 ARG 64 2HH1 ARG 64 -6.934 -11.706 -8.545 513 HH21 ARG 64 1HH2 ARG 64 -7.821 -12.111 -5.134 514 HH22 ARG 64 2HH2 ARG 64 -8.380 -12.173 -6.739 515 H LEU 65 H LEU 65 -1.050 -9.145 -2.192 516 HA LEU 65 HA LEU 65 1.165 -9.365 -3.986 517 HB2 LEU 65 2HB LEU 65 0.687 -7.449 -1.715 518 HB3 LEU 65 1HB LEU 65 1.973 -7.317 -2.892 519 HG LEU 65 HG LEU 65 -0.979 -7.070 -3.435 520 HD11 LEU 65 1HD1 LEU 65 -0.052 -5.186 -2.258 521 HD12 LEU 65 2HD1 LEU 65 -0.410 -4.730 -3.921 522 HD13 LEU 65 3HD1 LEU 65 1.254 -5.054 -3.441 523 HD21 LEU 65 3HD2 LEU 65 1.378 -6.808 -5.309 524 HD22 LEU 65 1HD2 LEU 65 -0.295 -6.429 -5.710 525 HD23 LEU 65 2HD2 LEU 65 0.169 -8.089 -5.340 526 H GLN 66 H GLN 66 0.633 -9.945 -0.569 527 HA GLN 66 HA GLN 66 3.287 -10.040 0.243 528 HB2 GLN 66 2HB GLN 66 0.883 -11.352 1.442 529 HB3 GLN 66 1HB GLN 66 2.483 -11.434 2.188 530 HG2 GLN 66 2HG GLN 66 2.526 -9.008 2.197 531 HG3 GLN 66 1HG GLN 66 0.878 -8.981 1.572 532 HE21 GLN 66 1HE2 GLN 66 2.881 -9.655 4.307 533 HE22 GLN 66 2HE2 GLN 66 1.608 -9.765 5.465 534 H ARG 67 H ARG 67 1.698 -12.350 -1.597 535 HA ARG 67 HA ARG 67 3.321 -14.561 -0.863 536 HB2 ARG 67 2HB ARG 67 2.729 -15.640 -2.997 537 HB3 ARG 67 1HB ARG 67 1.321 -15.012 -2.150 538 HG2 ARG 67 2HG ARG 67 1.274 -13.107 -3.689 539 HG3 ARG 67 1HG ARG 67 2.685 -13.761 -4.524 540 HD2 ARG 67 2HD ARG 67 1.449 -15.753 -5.125 541 HD3 ARG 67 1HD ARG 67 0.047 -15.197 -4.213 542 HE ARG 67 HE ARG 67 0.691 -13.243 -6.085 543 HH11 ARG 67 1HH1 ARG 67 -0.511 -16.588 -6.103 544 HH12 ARG 67 2HH1 ARG 67 -1.395 -16.370 -7.548 545 HH21 ARG 67 1HH2 ARG 67 -0.558 -13.015 -8.069 546 HH22 ARG 67 2HH2 ARG 67 -1.425 -14.353 -8.651 547 H THR 68 H THR 68 4.159 -11.744 -2.537 548 HA THR 68 HA THR 68 6.428 -12.835 -3.909 549 HB THR 68 HB THR 68 7.179 -10.496 -4.135 550 HG1 THR 68 1HG THR 68 4.741 -9.648 -2.956 551 HG21 THR 68 3HG2 THR 68 4.258 -10.918 -4.791 552 HG22 THR 68 1HG2 THR 68 5.625 -11.413 -5.786 553 HG23 THR 68 2HG2 THR 68 5.300 -9.700 -5.524 554 H SER 69 H SER 69 5.766 -11.724 -0.762 555 HA SER 69 HA SER 69 8.478 -11.523 0.106 556 HB2 SER 69 2HB SER 69 5.883 -11.688 1.637 557 HB3 SER 69 1HB SER 69 7.456 -11.213 2.278 558 HG SER 69 HG SER 69 7.143 -9.668 0.253 559 H ALA 70 H ALA 70 6.290 -13.961 -0.512 560 HA ALA 70 HA ALA 70 7.195 -15.853 1.453 561 HB1 ALA 70 1HB ALA 70 5.812 -17.473 0.255 562 HB2 ALA 70 2HB ALA 70 5.559 -16.302 -1.040 563 HB3 ALA 70 3HB ALA 70 4.913 -15.991 0.571 564 H LYS 71 H LYS 71 8.289 -14.747 -1.589 565 HA LYS 71 HA LYS 71 9.963 -17.127 -1.842 566 HB2 LYS 71 2HB LYS 71 10.282 -16.535 -4.217 567 HB3 LYS 71 1HB LYS 71 8.597 -16.839 -3.819 568 HG2 LYS 71 2HG LYS 71 8.085 -14.509 -3.873 569 HG3 LYS 71 1HG LYS 71 9.787 -14.081 -3.995 570 HD2 LYS 71 2HD LYS 71 8.673 -13.872 -6.160 571 HD3 LYS 71 1HD LYS 71 9.896 -15.132 -6.203 572 HE2 LYS 71 2HE LYS 71 8.130 -16.831 -5.927 573 HE3 LYS 71 1HE LYS 71 6.921 -15.547 -5.912 574 HZ1 LYS 71 3HZ LYS 71 7.108 -16.546 -8.108 575 HZ2 LYS 71 1HZ LYS 71 8.750 -16.197 -8.145 576 HZ3 LYS 71 2HZ LYS 71 7.653 -14.943 -8.165 577 H MET 72 H MET 72 12.052 -16.977 -1.874 578 HA MET 72 HA MET 72 14.119 -16.311 -1.613 579 HB2 MET 72 2HB MET 72 13.852 -15.567 -3.877 580 HB3 MET 72 1HB MET 72 13.176 -14.051 -3.268 581 HG2 MET 72 2HG MET 72 15.309 -13.485 -2.322 582 HG3 MET 72 1HG MET 72 16.001 -15.014 -2.867 583 HE1 MET 72 3HE MET 72 14.576 -11.664 -5.714 584 HE2 MET 72 1HE MET 72 14.494 -11.552 -3.953 585 HE3 MET 72 2HE MET 72 13.479 -12.707 -4.816 586 H LYS 73 H LYS 73 13.963 -16.107 0.543 587 HA LYS 73 HA LYS 73 14.737 -15.211 2.490 588 HB2 LYS 73 2HB LYS 73 16.543 -14.415 1.034 589 HB3 LYS 73 1HB LYS 73 15.634 -12.961 0.681 590 HG2 LYS 73 2HG LYS 73 15.851 -12.275 3.028 591 HG3 LYS 73 1HG LYS 73 16.767 -13.744 3.361 592 HD2 LYS 73 2HD LYS 73 18.472 -13.049 1.757 593 HD3 LYS 73 1HD LYS 73 17.554 -11.584 1.407 594 HE2 LYS 73 2HE LYS 73 17.805 -10.858 3.718 595 HE3 LYS 73 1HE LYS 73 18.676 -12.342 4.098 596 HZ1 LYS 73 3HZ LYS 73 20.238 -10.551 3.729 597 HZ2 LYS 73 1HZ LYS 73 19.571 -10.235 2.209 598 HZ3 LYS 73 2HZ LYS 73 20.377 -11.681 2.510 599 H ARG 74 H ARG 74 12.093 -13.965 1.032 600 HA ARG 74 HA ARG 74 10.316 -12.738 1.662 601 HB2 ARG 74 2HB ARG 74 10.491 -13.494 3.975 602 HB3 ARG 74 1HB ARG 74 11.789 -12.358 4.299 603 HG2 ARG 74 2HG ARG 74 10.203 -10.491 3.956 604 HG3 ARG 74 1HG ARG 74 8.913 -11.665 3.706 605 HD2 ARG 74 2HD ARG 74 9.218 -12.504 5.976 606 HD3 ARG 74 1HD ARG 74 10.565 -11.398 6.218 607 HE ARG 74 HE ARG 74 8.194 -10.038 5.446 608 HH11 ARG 74 1HH1 ARG 74 9.711 -11.550 8.287 609 HH12 ARG 74 2HH1 ARG 74 9.012 -10.463 9.392 610 HH21 ARG 74 1HH2 ARG 74 7.194 -8.565 7.054 611 HH22 ARG 74 2HH2 ARG 74 7.585 -8.791 8.694 612 H ARG 75 H ARG 75 13.155 -11.055 2.919 613 HA ARG 75 HA ARG 75 12.442 -8.799 1.183 614 HB2 ARG 75 2HB ARG 75 12.103 -8.243 3.563 615 HB3 ARG 75 1HB ARG 75 13.761 -8.706 3.903 616 HG2 ARG 75 2HG ARG 75 13.590 -6.304 3.818 617 HG3 ARG 75 1HG ARG 75 14.546 -6.876 2.452 618 HD2 ARG 75 2HD ARG 75 12.988 -5.130 1.752 619 HD3 ARG 75 1HD ARG 75 12.581 -6.669 0.998 620 HE ARG 75 HE ARG 75 11.113 -6.509 3.324 621 HH11 ARG 75 1HH1 ARG 75 11.309 -4.705 0.279 622 HH12 ARG 75 2HH1 ARG 75 9.702 -4.179 0.291 623 HH21 ARG 75 1HH2 ARG 75 8.847 -5.831 3.336 624 HH22 ARG 75 2HH2 ARG 75 8.229 -4.872 2.098 625 H SER 76 H SER 76 13.827 -8.943 -0.460 626 HA SER 76 HA SER 76 16.602 -9.530 0.188 627 HB2 SER 76 2HB SER 76 15.087 -9.899 -2.402 628 HB3 SER 76 1HB SER 76 16.827 -10.144 -2.220 629 HG SER 76 HG SER 76 14.695 -11.663 -1.097 630 H SER 77 H SER 77 17.507 -7.640 0.586 631 HA SER 77 HA SER 77 17.962 -5.830 -1.513 632 HB2 SER 77 2HB SER 77 15.684 -5.062 -0.797 633 HB3 SER 77 1HB SER 77 16.286 -4.849 0.840 634 HG SER 77 HG SER 77 16.878 -2.964 0.258 Start of MODEL 9 1 H1 GLY 1 1HT GLY 1 2.894 22.402 -1.631 2 H2 GLY 1 2HT GLY 1 2.240 22.236 -0.086 3 H3 GLY 1 3HT GLY 1 1.570 23.356 -1.162 4 HA2 GLY 1 1HA GLY 1 0.202 21.374 -0.976 5 HA3 GLY 1 2HA GLY 1 0.885 21.507 -2.591 6 H THR 2 H THR 2 -0.020 19.088 -1.506 7 HA THR 2 HA THR 2 2.337 17.744 -0.573 8 HB THR 2 HB THR 2 -0.455 16.685 -1.050 9 HG1 THR 2 1HG THR 2 0.959 17.760 1.133 10 HG21 THR 2 3HG2 THR 2 1.912 15.465 0.407 11 HG22 THR 2 1HG2 THR 2 1.240 14.892 -1.118 12 HG23 THR 2 2HG2 THR 2 0.285 14.785 0.364 13 H ASN 3 H ASN 3 3.677 17.839 -2.266 14 HA ASN 3 HA ASN 3 2.935 16.348 -4.681 15 HB2 ASN 3 2HB ASN 3 5.346 18.122 -4.150 16 HB3 ASN 3 1HB ASN 3 5.039 17.265 -5.651 17 HD21 ASN 3 1HD2 ASN 3 5.015 19.166 -6.844 18 HD22 ASN 3 2HD2 ASN 3 3.732 20.314 -6.749 19 H ASP 4 H ASP 4 5.052 16.499 -1.945 20 HA ASP 4 HA ASP 4 6.382 14.009 -2.633 21 HB2 ASP 4 2HB ASP 4 7.779 15.804 -1.701 22 HB3 ASP 4 1HB ASP 4 6.702 15.939 -0.319 23 H ALA 5 H ALA 5 6.097 12.141 -1.350 24 HA ALA 5 HA ALA 5 3.433 12.007 -0.292 25 HB1 ALA 5 1HB ALA 5 4.258 10.277 -1.834 26 HB2 ALA 5 2HB ALA 5 3.679 9.604 -0.310 27 HB3 ALA 5 3HB ALA 5 5.409 9.760 -0.603 28 H GLU 6 H GLU 6 6.209 12.793 1.147 29 HA GLU 6 HA GLU 6 7.021 12.896 3.256 30 HB2 GLU 6 2HB GLU 6 4.352 13.470 3.265 31 HB3 GLU 6 1HB GLU 6 4.433 12.143 4.400 32 HG2 GLU 6 2HG GLU 6 5.953 14.740 4.581 33 HG3 GLU 6 1HG GLU 6 4.515 14.357 5.516 34 H ASP 7 H ASP 7 6.314 11.332 5.635 35 HA ASP 7 HA ASP 7 7.015 8.614 4.785 36 HB2 ASP 7 2HB ASP 7 7.413 10.155 7.336 37 HB3 ASP 7 1HB ASP 7 7.623 8.417 7.228 38 H CYS 8 H CYS 8 4.451 9.858 4.739 39 HA CYS 8 HA CYS 8 2.958 7.762 5.998 40 HB2 CYS 8 2HB CYS 8 1.371 9.379 7.039 41 HB3 CYS 8 1HB CYS 8 2.977 9.446 7.744 42 H CYS 9 H CYS 9 0.375 8.979 5.325 43 HA CYS 9 HA CYS 9 0.920 9.543 2.509 44 HB2 CYS 9 2HB CYS 9 -0.339 7.257 3.228 45 HB3 CYS 9 1HB CYS 9 -1.708 8.383 3.249 46 H LEU 10 H LEU 10 -1.396 10.540 1.639 47 HA LEU 10 HA LEU 10 -1.594 12.957 3.232 48 HB2 LEU 10 2HB LEU 10 -1.280 12.851 0.680 49 HB3 LEU 10 1HB LEU 10 -2.944 12.350 0.592 50 HG LEU 10 HG LEU 10 -1.923 15.038 1.544 51 HD11 LEU 10 1HD1 LEU 10 -3.414 14.253 -0.934 52 HD12 LEU 10 2HD1 LEU 10 -1.718 14.733 -0.826 53 HD13 LEU 10 3HD1 LEU 10 -2.990 15.896 -0.462 54 HD21 LEU 10 3HD2 LEU 10 -4.264 15.763 1.577 55 HD22 LEU 10 1HD2 LEU 10 -3.985 14.463 2.734 56 HD23 LEU 10 2HD2 LEU 10 -4.780 14.117 1.200 57 H SER 11 H SER 11 -4.013 10.896 1.548 58 HA SER 11 HA SER 11 -5.729 10.538 3.793 59 HB2 SER 11 2HB SER 11 -6.613 12.534 1.664 60 HB3 SER 11 1HB SER 11 -7.650 11.859 2.911 61 HG SER 11 HG SER 11 -5.433 12.900 3.987 62 H VAL 12 H VAL 12 -7.415 9.015 3.189 63 HA VAL 12 HA VAL 12 -7.008 8.021 0.460 64 HB VAL 12 HB VAL 12 -7.460 5.910 1.087 65 HG11 VAL 12 1HG1 VAL 12 -5.594 6.384 2.371 66 HG12 VAL 12 2HG1 VAL 12 -6.613 5.290 3.301 67 HG13 VAL 12 3HG1 VAL 12 -6.566 7.009 3.701 68 HG21 VAL 12 3HG2 VAL 12 -9.358 6.824 3.269 69 HG22 VAL 12 1HG2 VAL 12 -8.903 5.134 2.927 70 HG23 VAL 12 2HG2 VAL 12 -9.699 6.056 1.687 71 H THR 13 H THR 13 -8.927 7.308 -0.673 72 HA THR 13 HA THR 13 -11.148 9.123 -0.086 73 HB THR 13 HB THR 13 -10.158 9.572 -2.275 74 HG1 THR 13 1HG THR 13 -11.989 9.856 -3.138 75 HG21 THR 13 3HG2 THR 13 -9.173 7.405 -2.739 76 HG22 THR 13 1HG2 THR 13 -10.197 7.916 -4.083 77 HG23 THR 13 2HG2 THR 13 -10.780 6.704 -2.945 78 H GLN 14 H GLN 14 -13.299 8.100 -1.210 79 HA GLN 14 HA GLN 14 -14.272 6.205 0.545 80 HB2 GLN 14 2HB GLN 14 -16.138 5.816 -1.043 81 HB3 GLN 14 1HB GLN 14 -15.780 7.520 -0.824 82 HG2 GLN 14 2HG GLN 14 -14.573 7.537 -2.955 83 HG3 GLN 14 1HG GLN 14 -14.924 5.824 -3.163 84 HE21 GLN 14 1HE2 GLN 14 -16.211 9.040 -3.227 85 HE22 GLN 14 2HE2 GLN 14 -17.704 8.638 -3.972 86 H LYS 15 H LYS 15 -12.872 5.554 -2.632 87 HA LYS 15 HA LYS 15 -11.692 3.244 -1.619 88 HB2 LYS 15 2HB LYS 15 -13.908 2.287 -2.295 89 HB3 LYS 15 1HB LYS 15 -13.596 2.844 -3.942 90 HG2 LYS 15 2HG LYS 15 -11.649 1.447 -4.089 91 HG3 LYS 15 1HG LYS 15 -11.856 0.935 -2.420 92 HD2 LYS 15 2HD LYS 15 -12.674 -0.806 -3.918 93 HD3 LYS 15 1HD LYS 15 -14.025 -0.097 -3.038 94 HE2 LYS 15 2HE LYS 15 -14.569 1.281 -4.990 95 HE3 LYS 15 1HE LYS 15 -13.198 0.591 -5.857 96 HZ1 LYS 15 3HZ LYS 15 -15.569 -0.910 -4.882 97 HZ2 LYS 15 1HZ LYS 15 -14.247 -1.581 -5.691 98 HZ3 LYS 15 2HZ LYS 15 -15.250 -0.487 -6.472 99 HA PRO 16 HA PRO 16 -9.037 5.723 -4.179 100 HB2 PRO 16 2HB PRO 16 -6.822 4.085 -3.708 101 HB3 PRO 16 1HB PRO 16 -7.308 5.513 -2.804 102 HG2 PRO 16 2HG PRO 16 -7.826 2.635 -2.129 103 HG3 PRO 16 1HG PRO 16 -7.489 3.996 -1.112 104 HD2 PRO 16 2HD PRO 16 -9.851 3.007 -1.307 105 HD3 PRO 16 1HD PRO 16 -9.546 4.734 -1.120 106 H ILE 17 H ILE 17 -7.733 2.410 -4.639 107 HA ILE 17 HA ILE 17 -8.378 2.664 -7.465 108 HB ILE 17 HB ILE 17 -6.108 2.206 -8.212 109 HG12 ILE 17 2HG1 ILE 17 -5.189 0.984 -6.254 110 HG13 ILE 17 1HG1 ILE 17 -4.111 2.261 -6.782 111 HG21 ILE 17 1HG2 ILE 17 -6.195 4.660 -6.511 112 HG22 ILE 17 2HG2 ILE 17 -6.703 4.496 -8.189 113 HG23 ILE 17 3HG2 ILE 17 -4.995 4.331 -7.762 114 HD11 ILE 17 3HD1 ILE 17 -5.914 2.295 -4.361 115 HD12 ILE 17 1HD1 ILE 17 -4.905 3.647 -4.891 116 HD13 ILE 17 2HD1 ILE 17 -4.159 2.137 -4.385 117 HA PRO 18 HA PRO 18 -8.804 -1.785 -7.415 118 HB2 PRO 18 2HB PRO 18 -6.917 -1.763 -9.748 119 HB3 PRO 18 1HB PRO 18 -8.498 -2.537 -9.601 120 HG2 PRO 18 2HG PRO 18 -8.254 -0.328 -11.015 121 HG3 PRO 18 1HG PRO 18 -9.654 -0.556 -9.950 122 HD2 PRO 18 2HD PRO 18 -7.218 1.118 -9.548 123 HD3 PRO 18 1HD PRO 18 -8.910 1.462 -9.125 124 H GLY 19 H GLY 19 -7.721 -3.196 -6.155 125 HA2 GLY 19 2HA GLY 19 -5.060 -2.537 -5.305 126 HA3 GLY 19 1HA GLY 19 -6.079 -3.799 -4.660 127 H TYR 20 H TYR 20 -6.030 -4.375 -7.861 128 HA TYR 20 HA TYR 20 -3.721 -6.070 -7.553 129 HB2 TYR 20 2HB TYR 20 -6.087 -6.274 -9.383 130 HB3 TYR 20 1HB TYR 20 -4.605 -7.184 -9.676 131 HD1 TYR 20 2HD TYR 20 -7.519 -6.783 -7.440 132 HD2 TYR 20 1HD TYR 20 -3.988 -9.014 -8.246 133 HE1 TYR 20 2HE TYR 20 -8.259 -8.510 -5.876 134 HE2 TYR 20 1HE TYR 20 -4.724 -10.748 -6.683 135 HH TYR 20 HH TYR 20 -7.888 -10.870 -5.398 136 H ILE 21 H ILE 21 -4.164 -3.064 -8.704 137 HA ILE 21 HA ILE 21 -2.228 -3.444 -10.893 138 HB ILE 21 HB ILE 21 -2.641 -1.125 -11.574 139 HG12 ILE 21 2HG1 ILE 21 -4.651 -1.011 -9.307 140 HG13 ILE 21 1HG1 ILE 21 -3.106 -0.173 -9.337 141 HG21 ILE 21 1HG2 ILE 21 -4.969 -1.338 -12.314 142 HG22 ILE 21 2HG2 ILE 21 -5.185 -2.687 -11.197 143 HG23 ILE 21 3HG2 ILE 21 -4.045 -2.826 -12.536 144 HD11 ILE 21 3HD1 ILE 21 -5.418 0.302 -11.208 145 HD12 ILE 21 1HD1 ILE 21 -3.869 1.143 -11.255 146 HD13 ILE 21 2HD1 ILE 21 -4.933 1.333 -9.864 147 H VAL 22 H VAL 22 -1.992 -3.290 -7.846 148 HA VAL 22 HA VAL 22 0.112 -1.281 -7.636 149 HB VAL 22 HB VAL 22 -1.484 -1.141 -5.858 150 HG11 VAL 22 1HG1 VAL 22 -2.485 -3.226 -5.948 151 HG12 VAL 22 2HG1 VAL 22 -1.871 -3.005 -4.319 152 HG13 VAL 22 3HG1 VAL 22 -1.018 -4.069 -5.477 153 HG21 VAL 22 3HG2 VAL 22 1.011 -2.486 -4.867 154 HG22 VAL 22 1HG2 VAL 22 -0.103 -1.526 -3.895 155 HG23 VAL 22 2HG2 VAL 22 0.804 -0.768 -5.200 156 H ARG 23 H ARG 23 2.138 -1.648 -7.220 157 HA ARG 23 HA ARG 23 3.125 -4.270 -8.046 158 HB2 ARG 23 2HB ARG 23 3.884 -1.830 -8.890 159 HB3 ARG 23 1HB ARG 23 4.811 -1.878 -7.431 160 HG2 ARG 23 2HG ARG 23 5.074 -3.936 -9.616 161 HG3 ARG 23 1HG ARG 23 6.120 -2.539 -9.411 162 HD2 ARG 23 2HD ARG 23 6.850 -3.406 -7.241 163 HD3 ARG 23 1HD ARG 23 5.748 -4.774 -7.412 164 HE ARG 23 HE ARG 23 7.578 -4.486 -9.581 165 HH11 ARG 23 1HH1 ARG 23 7.177 -5.887 -6.354 166 HH12 ARG 23 2HH1 ARG 23 8.360 -7.095 -6.559 167 HH21 ARG 23 1HH2 ARG 23 9.172 -6.150 -9.882 168 HH22 ARG 23 2HH2 ARG 23 9.517 -7.251 -8.632 169 H ASN 24 H ASN 24 3.484 -1.882 -5.432 170 HA ASN 24 HA ASN 24 4.184 -3.932 -3.500 171 HB2 ASN 24 2HB ASN 24 6.367 -3.267 -4.473 172 HB3 ASN 24 1HB ASN 24 6.012 -1.578 -4.134 173 HD21 ASN 24 1HD2 ASN 24 7.805 -1.313 -2.830 174 HD22 ASN 24 2HD2 ASN 24 7.953 -2.040 -1.279 175 H PHE 25 H PHE 25 4.118 -2.926 -1.288 176 HA PHE 25 HA PHE 25 2.603 -0.415 -1.266 177 HB2 PHE 25 2HB PHE 25 1.006 -1.279 0.318 178 HB3 PHE 25 1HB PHE 25 0.913 -2.254 -1.118 179 HD1 PHE 25 1HD PHE 25 2.327 -4.488 -1.058 180 HD2 PHE 25 2HD PHE 25 1.168 -2.303 2.402 181 HE1 PHE 25 1HE PHE 25 2.609 -6.506 0.304 182 HE2 PHE 25 2HE PHE 25 1.453 -4.317 3.772 183 HZ PHE 25 HZ PHE 25 2.172 -6.431 2.723 184 H HIS 26 H HIS 26 2.443 0.468 0.941 185 HA HIS 26 HA HIS 26 4.430 -0.564 2.814 186 HB2 HIS 26 2HB HIS 26 4.118 2.422 2.197 187 HB3 HIS 26 1HB HIS 26 5.069 1.737 3.488 188 HD1 HIS 26 1HD HIS 26 5.523 3.119 0.216 189 HD2 HIS 26 2HD HIS 26 7.161 -0.108 2.300 190 HE1 HIS 26 1HE HIS 26 7.661 2.608 -0.910 191 HE2 HIS 26 2HE HIS 26 8.769 0.966 0.623 192 H TYR 27 H TYR 27 3.272 -1.183 4.475 193 HA TYR 27 HA TYR 27 0.653 -0.062 5.032 194 HB2 TYR 27 2HB TYR 27 1.511 -2.508 5.337 195 HB3 TYR 27 1HB TYR 27 2.204 -1.863 6.834 196 HD1 TYR 27 2HD TYR 27 -0.927 -2.028 4.940 197 HD2 TYR 27 1HD TYR 27 0.871 -1.781 8.764 198 HE1 TYR 27 2HE TYR 27 -3.094 -2.250 5.909 199 HE2 TYR 27 1HE TYR 27 -1.333 -2.014 9.827 200 HH TYR 27 HH TYR 27 -4.097 -2.973 8.075 201 H LEU 28 H LEU 28 0.783 1.988 5.741 202 HA LEU 28 HA LEU 28 2.912 2.688 7.600 203 HB2 LEU 28 2HB LEU 28 2.573 3.518 5.178 204 HB3 LEU 28 1HB LEU 28 1.258 4.442 5.843 205 HG LEU 28 HG LEU 28 3.157 5.731 5.482 206 HD11 LEU 28 1HD1 LEU 28 2.716 5.350 8.445 207 HD12 LEU 28 2HD1 LEU 28 1.835 6.440 7.365 208 HD13 LEU 28 3HD1 LEU 28 3.555 6.707 7.692 209 HD21 LEU 28 3HD2 LEU 28 5.264 5.436 6.703 210 HD22 LEU 28 1HD2 LEU 28 4.900 4.122 5.588 211 HD23 LEU 28 2HD2 LEU 28 4.657 3.898 7.325 212 H LEU 29 H LEU 29 2.111 2.911 9.685 213 HA LEU 29 HA LEU 29 -0.666 3.802 10.030 214 HB2 LEU 29 2HB LEU 29 1.232 2.536 12.012 215 HB3 LEU 29 1HB LEU 29 -0.438 2.970 12.324 216 HG LEU 29 HG LEU 29 0.525 0.884 10.402 217 HD11 LEU 29 1HD1 LEU 29 -0.533 -0.704 11.958 218 HD12 LEU 29 2HD1 LEU 29 -0.897 0.632 13.054 219 HD13 LEU 29 3HD1 LEU 29 0.777 0.196 12.720 220 HD21 LEU 29 3HD2 LEU 29 -1.515 1.932 9.574 221 HD22 LEU 29 1HD2 LEU 29 -2.295 1.693 11.138 222 HD23 LEU 29 2HD2 LEU 29 -1.862 0.303 10.144 223 H ILE 30 H ILE 30 -0.672 5.018 12.440 224 HA ILE 30 HA ILE 30 0.537 7.534 11.882 225 HB ILE 30 HB ILE 30 -0.572 6.559 14.532 226 HG12 ILE 30 2HG1 ILE 30 -1.955 8.100 12.317 227 HG13 ILE 30 1HG1 ILE 30 -2.229 6.403 12.696 228 HG21 ILE 30 1HG2 ILE 30 0.822 8.506 14.774 229 HG22 ILE 30 2HG2 ILE 30 -0.866 9.036 14.951 230 HG23 ILE 30 3HG2 ILE 30 0.017 9.281 13.426 231 HD11 ILE 30 3HD1 ILE 30 -3.998 7.810 13.585 232 HD12 ILE 30 1HD1 ILE 30 -2.817 8.734 14.510 233 HD13 ILE 30 2HD1 ILE 30 -3.098 7.034 14.888 234 H LYS 31 H LYS 31 1.278 4.849 13.880 235 HA LYS 31 HA LYS 31 3.448 5.884 15.347 236 HB2 LYS 31 2HB LYS 31 2.923 3.057 14.468 237 HB3 LYS 31 1HB LYS 31 4.011 3.537 15.766 238 HG2 LYS 31 2HG LYS 31 2.105 4.444 17.017 239 HG3 LYS 31 1HG LYS 31 1.029 3.956 15.712 240 HD2 LYS 31 2HD LYS 31 2.731 2.106 17.379 241 HD3 LYS 31 1HD LYS 31 0.999 2.382 17.585 242 HE2 LYS 31 2HE LYS 31 0.607 1.482 15.334 243 HE3 LYS 31 1HE LYS 31 2.335 1.216 15.137 244 HZ1 LYS 31 3HZ LYS 31 1.295 -0.831 15.788 245 HZ2 LYS 31 1HZ LYS 31 0.591 -0.116 17.143 246 HZ3 LYS 31 2HZ LYS 31 2.249 -0.287 17.045 247 H ASP 32 H ASP 32 3.133 4.748 12.106 248 HA ASP 32 HA ASP 32 6.004 4.603 11.707 249 HB2 ASP 32 2HB ASP 32 3.719 4.175 9.774 250 HB3 ASP 32 1HB ASP 32 5.424 3.985 9.382 251 H GLY 33 H GLY 33 3.327 6.768 11.207 252 HA2 GLY 33 2HA GLY 33 5.134 8.596 9.733 253 HA3 GLY 33 1HA GLY 33 3.555 8.108 9.129 254 H CYS 34 H CYS 34 1.885 9.236 9.533 255 HA CYS 34 HA CYS 34 2.219 11.499 11.370 256 HB2 CYS 34 2HB CYS 34 0.631 11.445 8.803 257 HB3 CYS 34 1HB CYS 34 0.981 12.841 9.815 258 H ARG 35 H ARG 35 -0.105 12.486 11.641 259 HA ARG 35 HA ARG 35 -1.695 10.836 13.201 260 HB2 ARG 35 2HB ARG 35 -3.370 12.646 13.087 261 HB3 ARG 35 1HB ARG 35 -1.744 13.259 13.358 262 HG2 ARG 35 2HG ARG 35 -1.566 13.765 10.969 263 HG3 ARG 35 1HG ARG 35 -3.228 13.239 10.745 264 HD2 ARG 35 2HD ARG 35 -3.975 15.009 12.284 265 HD3 ARG 35 1HD ARG 35 -2.297 15.525 12.477 266 HE ARG 35 HE ARG 35 -3.167 15.410 9.763 267 HH11 ARG 35 1HH1 ARG 35 -3.050 17.488 12.619 268 HH12 ARG 35 2HH1 ARG 35 -3.141 18.938 11.729 269 HH21 ARG 35 1HH2 ARG 35 -3.289 17.422 8.535 270 HH22 ARG 35 2HH2 ARG 35 -3.275 18.899 9.369 271 H VAL 36 H VAL 36 -1.657 11.067 9.780 272 HA VAL 36 HA VAL 36 -4.190 9.668 9.602 273 HB VAL 36 HB VAL 36 -4.192 11.604 8.179 274 HG11 VAL 36 1HG1 VAL 36 -2.550 11.984 6.399 275 HG12 VAL 36 2HG1 VAL 36 -1.628 10.591 6.961 276 HG13 VAL 36 3HG1 VAL 36 -1.807 12.006 7.996 277 HG21 VAL 36 3HG2 VAL 36 -4.522 10.618 5.943 278 HG22 VAL 36 1HG2 VAL 36 -5.261 9.635 7.213 279 HG23 VAL 36 2HG2 VAL 36 -3.731 9.141 6.493 280 HA PRO 37 HA PRO 37 -1.589 6.090 8.733 281 HB2 PRO 37 2HB PRO 37 -3.284 4.243 9.695 282 HB3 PRO 37 1HB PRO 37 -2.320 5.254 10.777 283 HG2 PRO 37 2HG PRO 37 -5.210 5.424 10.109 284 HG3 PRO 37 1HG PRO 37 -4.376 5.831 11.617 285 HD2 PRO 37 2HD PRO 37 -5.215 7.637 9.613 286 HD3 PRO 37 1HD PRO 37 -4.138 7.993 10.976 287 H ALA 38 H ALA 38 -1.641 4.650 7.012 288 HA ALA 38 HA ALA 38 -3.948 3.852 5.632 289 HB1 ALA 38 1HB ALA 38 -2.430 6.120 4.333 290 HB2 ALA 38 2HB ALA 38 -4.079 6.209 4.957 291 HB3 ALA 38 3HB ALA 38 -3.711 5.169 3.581 292 H VAL 39 H VAL 39 -3.395 2.496 3.868 293 HA VAL 39 HA VAL 39 -0.551 1.899 3.854 294 HB VAL 39 HB VAL 39 -1.970 -0.087 4.291 295 HG11 VAL 39 1HG1 VAL 39 -4.014 0.604 3.138 296 HG12 VAL 39 2HG1 VAL 39 -3.454 -0.996 2.631 297 HG13 VAL 39 3HG1 VAL 39 -3.181 0.394 1.586 298 HG21 VAL 39 3HG2 VAL 39 -1.119 -1.575 2.544 299 HG22 VAL 39 1HG2 VAL 39 0.114 -0.435 3.081 300 HG23 VAL 39 2HG2 VAL 39 -0.721 -0.175 1.552 301 H VAL 40 H VAL 40 0.639 2.561 2.213 302 HA VAL 40 HA VAL 40 -0.817 3.835 0.111 303 HB VAL 40 HB VAL 40 1.172 4.912 -0.513 304 HG11 VAL 40 1HG1 VAL 40 1.881 6.063 1.530 305 HG12 VAL 40 2HG1 VAL 40 1.062 4.817 2.472 306 HG13 VAL 40 3HG1 VAL 40 0.131 5.872 1.406 307 HG21 VAL 40 3HG2 VAL 40 2.624 3.066 1.326 308 HG22 VAL 40 1HG2 VAL 40 3.379 4.480 0.552 309 HG23 VAL 40 2HG2 VAL 40 2.737 3.165 -0.441 310 H PHE 41 H PHE 41 -1.064 3.029 -1.749 311 HA PHE 41 HA PHE 41 0.329 0.573 -2.385 312 HB2 PHE 41 2HB PHE 41 -2.168 1.809 -3.463 313 HB3 PHE 41 1HB PHE 41 -1.384 0.491 -4.302 314 HD1 PHE 41 2HD PHE 41 -0.564 -1.254 -2.084 315 HD2 PHE 41 1HD PHE 41 -4.151 0.968 -2.623 316 HE1 PHE 41 2HE PHE 41 -1.758 -2.886 -0.732 317 HE2 PHE 41 1HE PHE 41 -5.357 -0.664 -1.243 318 HZ PHE 41 HZ PHE 41 -4.145 -2.617 -0.305 319 H THR 42 H THR 42 1.983 0.584 -3.642 320 HA THR 42 HA THR 42 2.533 2.868 -5.322 321 HB THR 42 HB THR 42 4.019 0.278 -4.843 322 HG1 THR 42 1HG THR 42 3.780 2.328 -3.349 323 HG21 THR 42 3HG2 THR 42 5.910 1.344 -6.012 324 HG22 THR 42 1HG2 THR 42 4.890 2.731 -6.406 325 HG23 THR 42 2HG2 THR 42 4.525 1.130 -7.068 326 H THR 43 H THR 43 1.287 2.877 -7.076 327 HA THR 43 HA THR 43 0.228 0.529 -8.234 328 HB THR 43 HB THR 43 -0.573 2.093 -9.973 329 HG1 THR 43 1HG THR 43 -0.162 4.374 -9.381 330 HG21 THR 43 3HG2 THR 43 -0.956 3.026 -7.123 331 HG22 THR 43 1HG2 THR 43 -1.845 1.714 -7.889 332 HG23 THR 43 2HG2 THR 43 -2.042 3.375 -8.468 333 H LEU 44 H LEU 44 0.507 0.182 -10.721 334 HA LEU 44 HA LEU 44 3.123 -0.524 -11.309 335 HB2 LEU 44 2HB LEU 44 0.769 0.008 -13.105 336 HB3 LEU 44 1HB LEU 44 2.242 -0.791 -13.587 337 HG LEU 44 HG LEU 44 0.279 -1.832 -11.537 338 HD11 LEU 44 1HD1 LEU 44 -0.643 -1.884 -13.780 339 HD12 LEU 44 2HD1 LEU 44 -0.270 -3.510 -13.213 340 HD13 LEU 44 3HD1 LEU 44 0.802 -2.715 -14.365 341 HD21 LEU 44 3HD2 LEU 44 2.558 -2.576 -11.066 342 HD22 LEU 44 1HD2 LEU 44 2.744 -3.121 -12.732 343 HD23 LEU 44 2HD2 LEU 44 1.578 -3.909 -11.669 344 H ARG 45 H ARG 45 1.323 2.344 -11.719 345 HA ARG 45 HA ARG 45 2.983 3.687 -13.590 346 HB2 ARG 45 2HB ARG 45 0.610 4.244 -13.172 347 HB3 ARG 45 1HB ARG 45 1.030 4.798 -11.565 348 HG2 ARG 45 2HG ARG 45 0.696 6.643 -13.120 349 HG3 ARG 45 1HG ARG 45 2.355 6.597 -12.519 350 HD2 ARG 45 2HD ARG 45 3.099 5.527 -14.554 351 HD3 ARG 45 1HD ARG 45 1.440 5.461 -15.155 352 HE ARG 45 HE ARG 45 1.540 7.950 -14.982 353 HH11 ARG 45 1HH1 ARG 45 4.422 5.997 -15.626 354 HH12 ARG 45 2HH1 ARG 45 5.208 7.180 -16.554 355 HH21 ARG 45 1HH2 ARG 45 2.612 9.589 -16.262 356 HH22 ARG 45 2HH2 ARG 45 4.134 9.302 -16.945 357 H GLY 46 H GLY 46 3.377 2.975 -10.256 358 HA2 GLY 46 2HA GLY 46 5.380 3.313 -9.090 359 HA3 GLY 46 1HA GLY 46 5.779 4.622 -10.190 360 H ARG 47 H ARG 47 2.628 4.842 -9.128 361 HA ARG 47 HA ARG 47 3.337 7.099 -7.421 362 HB2 ARG 47 2HB ARG 47 0.778 6.196 -8.686 363 HB3 ARG 47 1HB ARG 47 0.840 7.530 -7.552 364 HG2 ARG 47 2HG ARG 47 2.441 7.366 -10.064 365 HG3 ARG 47 1HG ARG 47 0.860 8.179 -9.993 366 HD2 ARG 47 2HD ARG 47 3.355 8.888 -8.421 367 HD3 ARG 47 1HD ARG 47 2.754 9.762 -9.819 368 HE ARG 47 HE ARG 47 0.707 9.638 -7.925 369 HH11 ARG 47 1HH1 ARG 47 3.870 11.189 -8.273 370 HH12 ARG 47 2HH1 ARG 47 3.457 12.546 -7.339 371 HH21 ARG 47 1HH2 ARG 47 0.161 11.469 -6.630 372 HH22 ARG 47 2HH2 ARG 47 1.292 12.709 -6.358 373 H GLN 48 H GLN 48 2.832 7.225 -5.337 374 HA GLN 48 HA GLN 48 1.757 4.789 -4.114 375 HB2 GLN 48 2HB GLN 48 3.187 7.104 -2.773 376 HB3 GLN 48 1HB GLN 48 2.612 5.665 -1.957 377 HG2 GLN 48 2HG GLN 48 4.142 4.319 -3.395 378 HG3 GLN 48 1HG GLN 48 4.792 5.838 -4.017 379 HE21 GLN 48 1HE2 GLN 48 6.028 7.152 -2.628 380 HE22 GLN 48 2HE2 GLN 48 6.700 6.527 -1.173 381 H LEU 49 H LEU 49 -0.256 4.767 -3.562 382 HA LEU 49 HA LEU 49 -1.622 7.356 -3.182 383 HB2 LEU 49 2HB LEU 49 -2.005 5.999 -5.365 384 HB3 LEU 49 1HB LEU 49 -2.895 4.886 -4.367 385 HG LEU 49 HG LEU 49 -4.368 6.405 -5.622 386 HD11 LEU 49 1HD1 LEU 49 -5.803 7.208 -3.871 387 HD12 LEU 49 2HD1 LEU 49 -4.523 6.944 -2.686 388 HD13 LEU 49 3HD1 LEU 49 -5.220 5.577 -3.547 389 HD21 LEU 49 3HD2 LEU 49 -2.908 8.319 -5.788 390 HD22 LEU 49 1HD2 LEU 49 -3.075 8.623 -4.056 391 HD23 LEU 49 2HD2 LEU 49 -4.471 8.784 -5.121 392 H CYS 50 H CYS 50 -3.196 7.408 -1.577 393 HA CYS 50 HA CYS 50 -2.651 5.700 0.689 394 HB2 CYS 50 2HB CYS 50 -4.798 7.793 0.506 395 HB3 CYS 50 1HB CYS 50 -3.896 7.247 1.911 396 H ALA 51 H ALA 51 -3.852 3.827 1.149 397 HA ALA 51 HA ALA 51 -6.696 3.901 0.446 398 HB1 ALA 51 1HB ALA 51 -6.664 1.576 -0.182 399 HB2 ALA 51 2HB ALA 51 -4.945 1.423 0.239 400 HB3 ALA 51 3HB ALA 51 -5.478 2.443 -1.113 401 HA PRO 52 HA PRO 52 -7.693 3.168 4.576 402 HB2 PRO 52 2HB PRO 52 -9.870 1.607 4.459 403 HB3 PRO 52 1HB PRO 52 -9.904 3.283 3.879 404 HG2 PRO 52 2HG PRO 52 -9.440 0.760 2.331 405 HG3 PRO 52 1HG PRO 52 -10.642 1.993 1.955 406 HD2 PRO 52 2HD PRO 52 -8.345 1.948 0.700 407 HD3 PRO 52 1HD PRO 52 -8.961 3.514 1.252 408 HA PRO 53 HA PRO 53 -5.468 -0.697 5.257 409 HB2 PRO 53 2HB PRO 53 -4.679 -0.183 7.788 410 HB3 PRO 53 1HB PRO 53 -3.910 0.548 6.377 411 HG2 PRO 53 2HG PRO 53 -5.950 1.709 8.229 412 HG3 PRO 53 1HG PRO 53 -4.508 2.472 7.535 413 HD2 PRO 53 2HD PRO 53 -7.015 2.856 6.562 414 HD3 PRO 53 1HD PRO 53 -5.580 2.944 5.543 415 H ASP 54 H ASP 54 -8.367 0.312 6.765 416 HA ASP 54 HA ASP 54 -8.476 -2.211 8.285 417 HB2 ASP 54 2HB ASP 54 -8.741 -0.129 9.631 418 HB3 ASP 54 1HB ASP 54 -10.167 0.272 8.690 419 H GLN 55 H GLN 55 -9.434 -1.083 5.384 420 HA GLN 55 HA GLN 55 -12.103 -2.173 5.522 421 HB2 GLN 55 2HB GLN 55 -10.653 -0.881 3.221 422 HB3 GLN 55 1HB GLN 55 -12.265 -1.565 3.086 423 HG2 GLN 55 2HG GLN 55 -11.480 0.661 4.952 424 HG3 GLN 55 1HG GLN 55 -12.303 0.873 3.405 425 HE21 GLN 55 1HE2 GLN 55 -14.453 0.233 3.254 426 HE22 GLN 55 2HE2 GLN 55 -15.436 -0.027 4.644 427 HA PRO 56 HA PRO 56 -11.414 -6.409 4.596 428 HB2 PRO 56 2HB PRO 56 -13.730 -5.992 2.771 429 HB3 PRO 56 1HB PRO 56 -13.462 -7.259 3.969 430 HG2 PRO 56 2HG PRO 56 -15.096 -5.241 4.492 431 HG3 PRO 56 1HG PRO 56 -14.029 -5.884 5.747 432 HD2 PRO 56 2HD PRO 56 -13.833 -3.332 4.234 433 HD3 PRO 56 1HD PRO 56 -13.295 -3.735 5.874 434 H TRP 57 H TRP 57 -12.002 -4.278 1.801 435 HA TRP 57 HA TRP 57 -11.108 -6.224 -0.062 436 HB2 TRP 57 2HB TRP 57 -11.249 -4.519 -1.776 437 HB3 TRP 57 1HB TRP 57 -12.612 -4.308 -0.693 438 HD1 TRP 57 HD1 TRP 57 -12.447 -2.028 0.996 439 HE1 TRP 57 1HE TRP 57 -11.285 0.173 0.589 440 HE3 TRP 57 3HE TRP 57 -9.329 -3.425 -2.832 441 HZ2 TRP 57 2HZ TRP 57 -9.282 1.235 -1.104 442 HZ3 TRP 57 3HZ TRP 57 -7.822 -1.699 -3.767 443 HH2 TRP 57 HH2 TRP 57 -7.818 0.553 -2.921 444 H VAL 58 H VAL 58 -9.504 -3.795 1.799 445 HA VAL 58 HA VAL 58 -7.107 -3.808 0.300 446 HB VAL 58 HB VAL 58 -7.741 -2.672 3.038 447 HG11 VAL 58 1HG1 VAL 58 -5.171 -2.426 1.470 448 HG12 VAL 58 2HG1 VAL 58 -5.366 -3.311 2.984 449 HG13 VAL 58 3HG1 VAL 58 -5.566 -1.559 2.953 450 HG21 VAL 58 3HG2 VAL 58 -7.170 -1.388 0.362 451 HG22 VAL 58 1HG2 VAL 58 -7.493 -0.526 1.850 452 HG23 VAL 58 2HG2 VAL 58 -8.746 -1.527 1.125 453 H GLU 59 H GLU 59 -8.008 -5.330 3.379 454 HA GLU 59 HA GLU 59 -5.522 -6.468 3.888 455 HB2 GLU 59 2HB GLU 59 -6.692 -8.174 5.288 456 HB3 GLU 59 1HB GLU 59 -7.140 -6.511 5.641 457 HG2 GLU 59 2HG GLU 59 -9.224 -6.772 4.503 458 HG3 GLU 59 1HG GLU 59 -8.756 -8.362 3.909 459 H ARG 60 H ARG 60 -7.934 -7.528 1.658 460 HA ARG 60 HA ARG 60 -6.832 -10.143 1.241 461 HB2 ARG 60 2HB ARG 60 -8.724 -8.525 -0.477 462 HB3 ARG 60 1HB ARG 60 -8.320 -10.216 -0.746 463 HG2 ARG 60 2HG ARG 60 -9.631 -9.126 1.736 464 HG3 ARG 60 1HG ARG 60 -10.474 -9.916 0.402 465 HD2 ARG 60 2HD ARG 60 -9.317 -11.978 0.806 466 HD3 ARG 60 1HD ARG 60 -8.265 -11.224 1.999 467 HE ARG 60 HE ARG 60 -10.754 -10.794 2.946 468 HH11 ARG 60 1HH1 ARG 60 -9.086 -13.717 1.904 469 HH12 ARG 60 2HH1 ARG 60 -9.739 -14.718 3.117 470 HH21 ARG 60 1HH2 ARG 60 -11.666 -12.138 4.632 471 HH22 ARG 60 2HH2 ARG 60 -11.253 -13.789 4.703 472 H ILE 61 H ILE 61 -6.572 -7.087 -0.511 473 HA ILE 61 HA ILE 61 -4.814 -8.216 -2.432 474 HB ILE 61 HB ILE 61 -4.338 -5.804 -3.049 475 HG12 ILE 61 2HG1 ILE 61 -6.500 -5.348 -1.003 476 HG13 ILE 61 1HG1 ILE 61 -4.840 -4.790 -0.907 477 HG21 ILE 61 1HG2 ILE 61 -6.603 -5.543 -4.092 478 HG22 ILE 61 2HG2 ILE 61 -7.187 -6.832 -3.041 479 HG23 ILE 61 3HG2 ILE 61 -5.959 -7.168 -4.258 480 HD11 ILE 61 3HD1 ILE 61 -6.921 -3.927 -2.875 481 HD12 ILE 61 1HD1 ILE 61 -5.243 -3.366 -2.844 482 HD13 ILE 61 2HD1 ILE 61 -6.321 -2.996 -1.504 483 H ILE 62 H ILE 62 -4.354 -6.638 0.576 484 HA ILE 62 HA ILE 62 -1.561 -6.277 0.577 485 HB ILE 62 HB ILE 62 -3.234 -7.308 2.908 486 HG12 ILE 62 2HG1 ILE 62 -4.076 -5.117 2.250 487 HG13 ILE 62 1HG1 ILE 62 -3.186 -4.983 3.749 488 HG21 ILE 62 1HG2 ILE 62 -1.460 -6.481 4.386 489 HG22 ILE 62 2HG2 ILE 62 -0.484 -6.091 2.970 490 HG23 ILE 62 3HG2 ILE 62 -0.904 -7.767 3.315 491 HD11 ILE 62 3HD1 ILE 62 -2.760 -3.141 2.280 492 HD12 ILE 62 1HD1 ILE 62 -2.164 -4.234 1.032 493 HD13 ILE 62 2HD1 ILE 62 -1.278 -4.064 2.558 494 H GLN 63 H GLN 63 -3.461 -9.175 1.239 495 HA GLN 63 HA GLN 63 -1.397 -10.970 1.844 496 HB2 GLN 63 2HB GLN 63 -4.054 -11.505 0.509 497 HB3 GLN 63 1HB GLN 63 -2.990 -12.749 1.131 498 HG2 GLN 63 2HG GLN 63 -4.320 -10.590 2.736 499 HG3 GLN 63 1HG GLN 63 -4.818 -12.279 2.640 500 HE21 GLN 63 1HE2 GLN 63 -3.560 -13.830 3.639 501 HE22 GLN 63 2HE2 GLN 63 -2.371 -13.444 4.838 502 H ARG 64 H ARG 64 -2.883 -10.066 -1.205 503 HA ARG 64 HA ARG 64 -1.586 -11.881 -2.871 504 HB2 ARG 64 2HB ARG 64 -2.558 -9.103 -3.503 505 HB3 ARG 64 1HB ARG 64 -2.151 -10.345 -4.670 506 HG2 ARG 64 2HG ARG 64 -4.383 -10.447 -2.661 507 HG3 ARG 64 1HG ARG 64 -4.549 -10.173 -4.396 508 HD2 ARG 64 2HD ARG 64 -3.559 -12.425 -4.783 509 HD3 ARG 64 1HD ARG 64 -3.546 -12.666 -3.032 510 HE ARG 64 HE ARG 64 -6.056 -11.951 -4.252 511 HH11 ARG 64 1HH1 ARG 64 -4.029 -14.535 -2.861 512 HH12 ARG 64 2HH1 ARG 64 -5.288 -15.665 -2.747 513 HH21 ARG 64 1HH2 ARG 64 -7.804 -13.512 -4.050 514 HH22 ARG 64 2HH2 ARG 64 -7.483 -15.074 -3.447 515 H LEU 65 H LEU 65 -0.696 -8.549 -1.969 516 HA LEU 65 HA LEU 65 1.667 -8.698 -3.527 517 HB2 LEU 65 2HB LEU 65 0.868 -6.780 -1.367 518 HB3 LEU 65 1HB LEU 65 2.305 -6.602 -2.345 519 HG LEU 65 HG LEU 65 -0.543 -6.512 -3.337 520 HD11 LEU 65 1HD1 LEU 65 0.095 -4.550 -2.114 521 HD12 LEU 65 2HD1 LEU 65 0.021 -4.165 -3.845 522 HD13 LEU 65 3HD1 LEU 65 1.571 -4.393 -3.063 523 HD21 LEU 65 3HD2 LEU 65 2.056 -6.202 -4.849 524 HD22 LEU 65 1HD2 LEU 65 0.452 -5.889 -5.499 525 HD23 LEU 65 2HD2 LEU 65 0.899 -7.524 -5.029 526 H GLN 66 H GLN 66 0.940 -9.403 -0.164 527 HA GLN 66 HA GLN 66 3.602 -9.505 0.696 528 HB2 GLN 66 2HB GLN 66 1.211 -10.926 1.811 529 HB3 GLN 66 1HB GLN 66 2.805 -11.018 2.543 530 HG2 GLN 66 2HG GLN 66 2.747 -8.544 2.683 531 HG3 GLN 66 1HG GLN 66 1.051 -8.617 2.199 532 HE21 GLN 66 1HE2 GLN 66 -0.445 -9.633 3.602 533 HE22 GLN 66 2HE2 GLN 66 -0.102 -9.853 5.268 534 H ARG 67 H ARG 67 1.967 -11.676 -1.290 535 HA ARG 67 HA ARG 67 3.314 -14.088 -0.740 536 HB2 ARG 67 2HB ARG 67 2.666 -14.870 -2.907 537 HB3 ARG 67 1HB ARG 67 1.397 -13.765 -2.408 538 HG2 ARG 67 2HG ARG 67 2.502 -11.995 -3.781 539 HG3 ARG 67 1HG ARG 67 3.606 -13.231 -4.376 540 HD2 ARG 67 2HD ARG 67 0.611 -13.156 -4.716 541 HD3 ARG 67 1HD ARG 67 1.817 -12.852 -5.956 542 HE ARG 67 HE ARG 67 1.612 -15.476 -4.649 543 HH11 ARG 67 1HH1 ARG 67 1.640 -13.540 -7.603 544 HH12 ARG 67 2HH1 ARG 67 1.420 -14.854 -8.655 545 HH21 ARG 67 1HH2 ARG 67 1.298 -17.267 -6.061 546 HH22 ARG 67 2HH2 ARG 67 1.218 -17.055 -7.748 547 H THR 68 H THR 68 4.427 -11.196 -2.356 548 HA THR 68 HA THR 68 6.864 -12.442 -3.299 549 HB THR 68 HB THR 68 7.513 -10.199 -4.075 550 HG1 THR 68 1HG THR 68 4.962 -9.287 -3.067 551 HG21 THR 68 3HG2 THR 68 4.684 -10.954 -4.837 552 HG22 THR 68 1HG2 THR 68 6.159 -11.590 -5.564 553 HG23 THR 68 2HG2 THR 68 5.739 -9.892 -5.770 554 H SER 69 H SER 69 5.772 -10.586 -0.696 555 HA SER 69 HA SER 69 8.356 -9.751 0.257 556 HB2 SER 69 2HB SER 69 6.318 -8.365 0.599 557 HB3 SER 69 1HB SER 69 5.663 -9.621 1.639 558 HG SER 69 HG SER 69 6.948 -9.039 3.199 559 H ALA 70 H ALA 70 6.263 -12.451 0.742 560 HA ALA 70 HA ALA 70 7.332 -13.426 3.170 561 HB1 ALA 70 1HB ALA 70 6.306 -15.558 2.527 562 HB2 ALA 70 2HB ALA 70 6.067 -14.947 0.888 563 HB3 ALA 70 3HB ALA 70 5.204 -14.212 2.242 564 H LYS 71 H LYS 71 8.499 -13.252 0.002 565 HA LYS 71 HA LYS 71 10.310 -13.815 -1.090 566 HB2 LYS 71 2HB LYS 71 11.495 -12.947 0.834 567 HB3 LYS 71 1HB LYS 71 11.363 -14.519 1.614 568 HG2 LYS 71 2HG LYS 71 12.776 -15.507 -0.105 569 HG3 LYS 71 1HG LYS 71 12.844 -13.959 -0.943 570 HD2 LYS 71 2HD LYS 71 13.970 -12.982 1.016 571 HD3 LYS 71 1HD LYS 71 13.938 -14.563 1.797 572 HE2 LYS 71 2HE LYS 71 16.108 -14.130 0.728 573 HE3 LYS 71 1HE LYS 71 15.282 -15.506 0.001 574 HZ1 LYS 71 3HZ LYS 71 14.564 -14.054 -1.821 575 HZ2 LYS 71 1HZ LYS 71 16.235 -14.045 -1.686 576 HZ3 LYS 71 2HZ LYS 71 15.345 -12.751 -1.103 577 H MET 72 H MET 72 10.178 -16.299 1.387 578 HA MET 72 HA MET 72 10.690 -18.197 -0.721 579 HB2 MET 72 2HB MET 72 11.002 -19.903 1.069 580 HB3 MET 72 1HB MET 72 12.106 -18.536 1.166 581 HG2 MET 72 2HG MET 72 10.697 -17.614 2.937 582 HG3 MET 72 1HG MET 72 9.672 -19.045 2.863 583 HE1 MET 72 3HE MET 72 10.601 -21.520 3.360 584 HE2 MET 72 1HE MET 72 12.230 -21.859 3.937 585 HE3 MET 72 2HE MET 72 11.984 -21.298 2.284 586 H LYS 73 H LYS 73 8.880 -17.966 -1.727 587 HA LYS 73 HA LYS 73 6.441 -19.072 -0.590 588 HB2 LYS 73 2HB LYS 73 6.190 -17.024 -1.863 589 HB3 LYS 73 1HB LYS 73 7.094 -17.702 -3.203 590 HG2 LYS 73 2HG LYS 73 5.272 -19.168 -3.754 591 HG3 LYS 73 1HG LYS 73 4.395 -18.685 -2.301 592 HD2 LYS 73 2HD LYS 73 3.555 -17.551 -4.341 593 HD3 LYS 73 1HD LYS 73 4.158 -16.428 -3.126 594 HE2 LYS 73 2HE LYS 73 4.868 -15.727 -5.333 595 HE3 LYS 73 1HE LYS 73 6.266 -16.216 -4.396 596 HZ1 LYS 73 3HZ LYS 73 6.304 -18.329 -5.620 597 HZ2 LYS 73 1HZ LYS 73 6.324 -17.030 -6.691 598 HZ3 LYS 73 2HZ LYS 73 4.905 -17.877 -6.441 599 H ARG 74 H ARG 74 6.962 -21.175 -0.356 600 HA ARG 74 HA ARG 74 7.594 -23.284 -0.764 601 HB2 ARG 74 2HB ARG 74 5.547 -23.265 -2.204 602 HB3 ARG 74 1HB ARG 74 6.525 -22.746 -3.565 603 HG2 ARG 74 2HG ARG 74 7.810 -24.869 -3.382 604 HG3 ARG 74 1HG ARG 74 6.708 -25.376 -2.106 605 HD2 ARG 74 2HD ARG 74 6.031 -26.359 -4.213 606 HD3 ARG 74 1HD ARG 74 4.826 -25.185 -3.693 607 HE ARG 74 HE ARG 74 6.292 -23.671 -5.265 608 HH11 ARG 74 1HH1 ARG 74 5.223 -27.001 -5.865 609 HH12 ARG 74 2HH1 ARG 74 5.099 -26.796 -7.546 610 HH21 ARG 74 1HH2 ARG 74 6.130 -23.407 -7.616 611 HH22 ARG 74 2HH2 ARG 74 5.634 -24.723 -8.556 612 H ARG 75 H ARG 75 9.780 -22.620 -0.473 613 HA ARG 75 HA ARG 75 11.305 -22.755 -2.962 614 HB2 ARG 75 2HB ARG 75 11.025 -20.381 -2.303 615 HB3 ARG 75 1HB ARG 75 11.790 -20.742 -0.765 616 HG2 ARG 75 2HG ARG 75 13.378 -19.688 -2.236 617 HG3 ARG 75 1HG ARG 75 13.849 -21.370 -1.980 618 HD2 ARG 75 2HD ARG 75 12.860 -21.990 -4.123 619 HD3 ARG 75 1HD ARG 75 12.335 -20.323 -4.362 620 HE ARG 75 HE ARG 75 15.152 -20.584 -3.955 621 HH11 ARG 75 1HH1 ARG 75 12.581 -20.744 -6.369 622 HH12 ARG 75 2HH1 ARG 75 13.587 -20.410 -7.692 623 HH21 ARG 75 1HH2 ARG 75 16.554 -20.129 -5.783 624 HH22 ARG 75 2HH2 ARG 75 15.896 -20.051 -7.352 625 H SER 76 H SER 76 12.376 -24.578 -2.704 626 HA SER 76 HA SER 76 13.972 -24.842 -0.305 627 HB2 SER 76 2HB SER 76 13.646 -27.358 -0.599 628 HB3 SER 76 1HB SER 76 12.258 -26.452 0.002 629 HG SER 76 HG SER 76 11.258 -27.319 -1.545 630 H SER 77 H SER 77 16.048 -25.623 -0.608 631 HA SER 77 HA SER 77 16.869 -26.211 -3.320 632 HB2 SER 77 2HB SER 77 18.155 -24.141 -1.515 633 HB3 SER 77 1HB SER 77 18.816 -24.688 -3.057 634 HG SER 77 HG SER 77 16.252 -24.019 -3.315 Start of MODEL 10 1 H1 GLY 1 1HT GLY 1 2.484 21.429 0.156 2 H2 GLY 1 2HT GLY 1 3.653 22.637 0.121 3 H3 GLY 1 3HT GLY 1 3.524 21.613 1.462 4 HA2 GLY 1 1HA GLY 1 4.309 20.745 -1.238 5 HA3 GLY 1 2HA GLY 1 5.410 20.996 0.112 6 H THR 2 H THR 2 4.765 18.504 -1.418 7 HA THR 2 HA THR 2 3.273 16.878 0.411 8 HB THR 2 HB THR 2 4.061 15.022 -1.116 9 HG1 THR 2 1HG THR 2 5.473 15.450 -2.618 10 HG21 THR 2 3HG2 THR 2 2.736 17.402 -2.439 11 HG22 THR 2 1HG2 THR 2 1.918 16.148 -1.509 12 HG23 THR 2 2HG2 THR 2 2.692 15.743 -3.038 13 H ASN 3 H ASN 3 6.526 17.734 -0.181 14 HA ASN 3 HA ASN 3 8.497 17.371 0.781 15 HB2 ASN 3 2HB ASN 3 7.359 18.057 2.866 16 HB3 ASN 3 1HB ASN 3 6.907 16.382 3.165 17 HD21 ASN 3 1HD2 ASN 3 8.028 16.319 5.121 18 HD22 ASN 3 2HD2 ASN 3 9.741 16.303 5.170 19 H ASP 4 H ASP 4 9.346 15.931 -0.531 20 HA ASP 4 HA ASP 4 8.668 13.147 -0.383 21 HB2 ASP 4 2HB ASP 4 9.144 14.199 -2.550 22 HB3 ASP 4 1HB ASP 4 10.770 14.584 -2.017 23 H ALA 5 H ALA 5 10.644 15.059 1.426 24 HA ALA 5 HA ALA 5 12.796 13.247 1.908 25 HB1 ALA 5 1HB ALA 5 13.332 14.641 3.844 26 HB2 ALA 5 2HB ALA 5 11.768 15.443 3.712 27 HB3 ALA 5 3HB ALA 5 12.978 15.658 2.450 28 H GLU 6 H GLU 6 9.660 13.192 2.620 29 HA GLU 6 HA GLU 6 9.980 11.087 4.603 30 HB2 GLU 6 2HB GLU 6 7.845 13.185 4.408 31 HB3 GLU 6 1HB GLU 6 7.711 11.746 5.399 32 HG2 GLU 6 2HG GLU 6 9.692 12.479 6.673 33 HG3 GLU 6 1HG GLU 6 9.753 13.940 5.684 34 H ASP 7 H ASP 7 8.183 9.551 4.524 35 HA ASP 7 HA ASP 7 6.786 9.432 1.968 36 HB2 ASP 7 2HB ASP 7 8.716 7.904 1.758 37 HB3 ASP 7 1HB ASP 7 8.242 7.166 3.287 38 H CYS 8 H CYS 8 4.997 9.975 2.750 39 HA CYS 8 HA CYS 8 3.475 7.971 4.073 40 HB2 CYS 8 2HB CYS 8 4.255 9.373 6.051 41 HB3 CYS 8 1HB CYS 8 3.507 10.781 5.301 42 H CYS 9 H CYS 9 1.082 9.436 4.299 43 HA CYS 9 HA CYS 9 0.801 10.124 1.463 44 HB2 CYS 9 2HB CYS 9 -0.131 7.908 2.199 45 HB3 CYS 9 1HB CYS 9 -1.290 8.813 3.174 46 H LEU 10 H LEU 10 -1.416 11.192 1.141 47 HA LEU 10 HA LEU 10 -1.689 13.412 2.987 48 HB2 LEU 10 2HB LEU 10 -3.033 12.906 0.323 49 HB3 LEU 10 1HB LEU 10 -3.116 14.378 1.255 50 HG LEU 10 HG LEU 10 -0.644 13.284 -0.085 51 HD11 LEU 10 1HD1 LEU 10 -2.383 15.649 -0.759 52 HD12 LEU 10 2HD1 LEU 10 -2.266 14.144 -1.670 53 HD13 LEU 10 3HD1 LEU 10 -0.872 15.217 -1.560 54 HD21 LEU 10 3HD2 LEU 10 0.379 15.419 0.548 55 HD22 LEU 10 1HD2 LEU 10 -0.101 14.479 1.959 56 HD23 LEU 10 2HD2 LEU 10 -1.083 15.848 1.441 57 H SER 11 H SER 11 -3.760 10.871 1.304 58 HA SER 11 HA SER 11 -5.211 10.235 3.575 59 HB2 SER 11 2HB SER 11 -6.100 12.588 3.303 60 HB3 SER 11 1HB SER 11 -6.668 12.150 1.697 61 HG SER 11 HG SER 11 -7.889 11.844 4.009 62 H VAL 12 H VAL 12 -7.511 9.331 2.516 63 HA VAL 12 HA VAL 12 -6.771 8.043 0.004 64 HB VAL 12 HB VAL 12 -7.433 5.906 0.645 65 HG11 VAL 12 1HG1 VAL 12 -5.358 6.341 1.650 66 HG12 VAL 12 2HG1 VAL 12 -6.292 5.289 2.712 67 HG13 VAL 12 3HG1 VAL 12 -6.128 7.006 3.089 68 HG21 VAL 12 3HG2 VAL 12 -8.837 6.955 3.119 69 HG22 VAL 12 1HG2 VAL 12 -8.650 5.249 2.616 70 HG23 VAL 12 2HG2 VAL 12 -9.561 6.346 1.613 71 H THR 13 H THR 13 -8.909 7.194 -1.041 72 HA THR 13 HA THR 13 -11.099 8.957 -0.256 73 HB THR 13 HB THR 13 -10.412 9.361 -2.581 74 HG1 THR 13 1HG THR 13 -12.403 9.708 -2.890 75 HG21 THR 13 3HG2 THR 13 -9.464 7.186 -3.106 76 HG22 THR 13 1HG2 THR 13 -10.664 7.644 -4.316 77 HG23 THR 13 2HG2 THR 13 -11.074 6.463 -3.073 78 H GLN 14 H GLN 14 -13.349 7.787 -1.089 79 HA GLN 14 HA GLN 14 -13.880 5.907 0.904 80 HB2 GLN 14 2HB GLN 14 -16.047 5.500 -0.162 81 HB3 GLN 14 1HB GLN 14 -15.670 7.210 -0.167 82 HG2 GLN 14 2HG GLN 14 -14.992 7.026 -2.527 83 HG3 GLN 14 1HG GLN 14 -15.447 5.323 -2.500 84 HE21 GLN 14 1HE2 GLN 14 -17.661 4.784 -2.270 85 HE22 GLN 14 2HE2 GLN 14 -18.884 5.927 -2.689 86 H LYS 15 H LYS 15 -13.042 5.344 -2.466 87 HA LYS 15 HA LYS 15 -11.844 2.923 -1.706 88 HB2 LYS 15 2HB LYS 15 -14.185 2.212 -2.142 89 HB3 LYS 15 1HB LYS 15 -14.017 2.787 -3.801 90 HG2 LYS 15 2HG LYS 15 -12.159 1.254 -4.134 91 HG3 LYS 15 1HG LYS 15 -12.369 0.664 -2.492 92 HD2 LYS 15 2HD LYS 15 -14.435 0.471 -4.711 93 HD3 LYS 15 1HD LYS 15 -13.440 -0.858 -4.126 94 HE2 LYS 15 2HE LYS 15 -14.478 -0.673 -1.914 95 HE3 LYS 15 1HE LYS 15 -15.450 0.681 -2.482 96 HZ1 LYS 15 3HZ LYS 15 -16.713 -1.367 -2.526 97 HZ2 LYS 15 1HZ LYS 15 -15.573 -2.087 -3.530 98 HZ3 LYS 15 2HZ LYS 15 -16.494 -0.798 -4.086 99 HA PRO 16 HA PRO 16 -9.487 5.488 -4.580 100 HB2 PRO 16 2HB PRO 16 -7.171 3.994 -4.123 101 HB3 PRO 16 1HB PRO 16 -7.652 5.498 -3.336 102 HG2 PRO 16 2HG PRO 16 -7.919 2.700 -2.276 103 HG3 PRO 16 1HG PRO 16 -7.700 4.213 -1.462 104 HD2 PRO 16 2HD PRO 16 -9.994 2.938 -1.500 105 HD3 PRO 16 1HD PRO 16 -9.825 4.678 -1.387 106 H ILE 17 H ILE 17 -7.928 2.294 -4.849 107 HA ILE 17 HA ILE 17 -8.744 2.253 -7.654 108 HB ILE 17 HB ILE 17 -6.500 1.886 -8.469 109 HG12 ILE 17 2HG1 ILE 17 -5.414 0.833 -6.505 110 HG13 ILE 17 1HG1 ILE 17 -4.445 2.143 -7.146 111 HG21 ILE 17 1HG2 ILE 17 -6.675 4.411 -6.896 112 HG22 ILE 17 2HG2 ILE 17 -7.213 4.126 -8.554 113 HG23 ILE 17 3HG2 ILE 17 -5.491 4.101 -8.167 114 HD11 ILE 17 3HD1 ILE 17 -6.117 2.162 -4.634 115 HD12 ILE 17 1HD1 ILE 17 -5.260 3.572 -5.280 116 HD13 ILE 17 2HD1 ILE 17 -4.357 2.157 -4.768 117 HA PRO 18 HA PRO 18 -8.840 -2.174 -7.168 118 HB2 PRO 18 2HB PRO 18 -7.172 -2.480 -9.601 119 HB3 PRO 18 1HB PRO 18 -8.793 -3.100 -9.275 120 HG2 PRO 18 2HG PRO 18 -8.388 -1.069 -10.967 121 HG3 PRO 18 1HG PRO 18 -9.820 -1.134 -9.920 122 HD2 PRO 18 2HD PRO 18 -7.338 0.486 -9.658 123 HD3 PRO 18 1HD PRO 18 -9.018 0.929 -9.288 124 H GLY 19 H GLY 19 -7.624 -3.419 -5.908 125 HA2 GLY 19 2HA GLY 19 -4.945 -2.714 -5.258 126 HA3 GLY 19 1HA GLY 19 -5.851 -4.063 -4.609 127 H TYR 20 H TYR 20 -5.966 -4.410 -7.857 128 HA TYR 20 HA TYR 20 -3.842 -6.316 -7.865 129 HB2 TYR 20 2HB TYR 20 -5.916 -6.980 -8.784 130 HB3 TYR 20 1HB TYR 20 -6.030 -5.543 -9.781 131 HD1 TYR 20 1HD TYR 20 -4.473 -8.823 -9.359 132 HD2 TYR 20 2HD TYR 20 -4.857 -5.436 -11.834 133 HE1 TYR 20 1HE TYR 20 -3.457 -10.102 -11.216 134 HE2 TYR 20 2HE TYR 20 -3.836 -6.673 -13.731 135 HH TYR 20 HH TYR 20 -3.446 -10.035 -13.637 136 H ILE 21 H ILE 21 -4.334 -2.998 -8.840 137 HA ILE 21 HA ILE 21 -2.225 -3.183 -10.848 138 HB ILE 21 HB ILE 21 -2.699 -0.869 -11.457 139 HG12 ILE 21 2HG1 ILE 21 -4.772 -0.879 -9.241 140 HG13 ILE 21 1HG1 ILE 21 -3.237 -0.022 -9.177 141 HG21 ILE 21 1HG2 ILE 21 -5.005 -1.133 -12.248 142 HG22 ILE 21 2HG2 ILE 21 -5.196 -2.517 -11.167 143 HG23 ILE 21 3HG2 ILE 21 -4.032 -2.586 -12.489 144 HD11 ILE 21 3HD1 ILE 21 -5.500 0.499 -11.102 145 HD12 ILE 21 1HD1 ILE 21 -3.944 1.333 -11.097 146 HD13 ILE 21 2HD1 ILE 21 -5.019 1.497 -9.722 147 H VAL 22 H VAL 22 -2.064 -3.114 -7.743 148 HA VAL 22 HA VAL 22 0.035 -1.104 -7.538 149 HB VAL 22 HB VAL 22 -1.452 -0.949 -5.688 150 HG11 VAL 22 1HG1 VAL 22 -2.560 -3.012 -5.753 151 HG12 VAL 22 2HG1 VAL 22 -1.827 -2.839 -4.157 152 HG13 VAL 22 3HG1 VAL 22 -1.083 -3.902 -5.355 153 HG21 VAL 22 3HG2 VAL 22 1.042 -2.394 -4.846 154 HG22 VAL 22 1HG2 VAL 22 -0.001 -1.464 -3.770 155 HG23 VAL 22 2HG2 VAL 22 0.863 -0.660 -5.082 156 H ARG 23 H ARG 23 2.056 -1.398 -7.348 157 HA ARG 23 HA ARG 23 3.097 -4.018 -8.108 158 HB2 ARG 23 2HB ARG 23 3.712 -1.451 -8.922 159 HB3 ARG 23 1HB ARG 23 4.838 -1.682 -7.630 160 HG2 ARG 23 2HG ARG 23 4.664 -3.423 -10.080 161 HG3 ARG 23 1HG ARG 23 5.878 -2.203 -9.751 162 HD2 ARG 23 2HD ARG 23 6.551 -3.560 -7.741 163 HD3 ARG 23 1HD ARG 23 5.426 -4.805 -8.293 164 HE ARG 23 HE ARG 23 7.635 -3.841 -9.964 165 HH11 ARG 23 1HH1 ARG 23 5.905 -6.573 -8.516 166 HH12 ARG 23 2HH1 ARG 23 6.818 -7.768 -9.302 167 HH21 ARG 23 1HH2 ARG 23 8.929 -5.464 -10.995 168 HH22 ARG 23 2HH2 ARG 23 8.613 -7.124 -10.774 169 H ASN 24 H ASN 24 3.772 -1.420 -5.739 170 HA ASN 24 HA ASN 24 4.577 -3.412 -3.741 171 HB2 ASN 24 2HB ASN 24 6.102 -0.846 -4.327 172 HB3 ASN 24 1HB ASN 24 6.450 -1.964 -3.021 173 HD21 ASN 24 1HD2 ASN 24 7.344 -3.998 -3.556 174 HD22 ASN 24 2HD2 ASN 24 8.192 -4.240 -5.037 175 H PHE 25 H PHE 25 4.410 -2.478 -1.511 176 HA PHE 25 HA PHE 25 2.740 -0.065 -1.434 177 HB2 PHE 25 2HB PHE 25 1.134 -1.083 0.037 178 HB3 PHE 25 1HB PHE 25 1.183 -2.033 -1.428 179 HD1 PHE 25 1HD PHE 25 2.582 -4.194 -1.390 180 HD2 PHE 25 2HD PHE 25 1.494 -2.073 2.129 181 HE1 PHE 25 1HE PHE 25 3.037 -6.190 -0.047 182 HE2 PHE 25 2HE PHE 25 1.949 -4.062 3.478 183 HZ PHE 25 HZ PHE 25 2.722 -6.127 2.398 184 H HIS 26 H HIS 26 2.751 0.985 0.578 185 HA HIS 26 HA HIS 26 4.621 -0.081 2.590 186 HB2 HIS 26 2HB HIS 26 4.147 2.874 1.983 187 HB3 HIS 26 1HB HIS 26 5.063 2.262 3.334 188 HD1 HIS 26 1HD HIS 26 6.499 4.162 1.548 189 HD2 HIS 26 2HD HIS 26 6.454 0.058 0.851 190 HE1 HIS 26 1HE HIS 26 8.501 3.686 0.146 191 HE2 HIS 26 2HE HIS 26 8.583 1.182 -0.027 192 H TYR 27 H TYR 27 3.465 -0.776 4.238 193 HA TYR 27 HA TYR 27 0.779 0.204 4.671 194 HB2 TYR 27 2HB TYR 27 1.551 -2.216 4.835 195 HB3 TYR 27 1HB TYR 27 2.346 -1.725 6.341 196 HD1 TYR 27 2HD TYR 27 -0.861 -1.429 4.651 197 HD2 TYR 27 1HD TYR 27 1.141 -2.018 8.305 198 HE1 TYR 27 2HE TYR 27 -3.001 -1.660 5.711 199 HE2 TYR 27 1HE TYR 27 -1.028 -2.275 9.467 200 HH TYR 27 HH TYR 27 -3.992 -2.603 7.740 201 H LEU 28 H LEU 28 0.808 2.190 5.489 202 HA LEU 28 HA LEU 28 2.601 2.746 7.725 203 HB2 LEU 28 2HB LEU 28 1.193 4.596 5.839 204 HB3 LEU 28 1HB LEU 28 2.159 5.130 7.190 205 HG LEU 28 HG LEU 28 3.139 3.646 4.757 206 HD11 LEU 28 1HD1 LEU 28 3.544 6.402 5.791 207 HD12 LEU 28 2HD1 LEU 28 2.564 5.956 4.385 208 HD13 LEU 28 3HD1 LEU 28 4.329 5.758 4.345 209 HD21 LEU 28 3HD2 LEU 28 5.382 3.999 5.684 210 HD22 LEU 28 1HD2 LEU 28 4.415 2.965 6.732 211 HD23 LEU 28 2HD2 LEU 28 4.672 4.658 7.159 212 H LEU 29 H LEU 29 1.904 3.612 9.528 213 HA LEU 29 HA LEU 29 -0.979 3.879 10.018 214 HB2 LEU 29 2HB LEU 29 0.932 2.216 11.655 215 HB3 LEU 29 1HB LEU 29 -0.704 2.595 12.123 216 HG LEU 29 HG LEU 29 0.123 0.950 9.762 217 HD11 LEU 29 1HD1 LEU 29 -0.833 -0.938 11.078 218 HD12 LEU 29 2HD1 LEU 29 -1.068 0.170 12.429 219 HD13 LEU 29 3HD1 LEU 29 0.562 -0.191 11.864 220 HD21 LEU 29 3HD2 LEU 29 -1.985 2.089 9.333 221 HD22 LEU 29 1HD2 LEU 29 -2.617 1.542 10.883 222 HD23 LEU 29 2HD2 LEU 29 -2.282 0.371 9.609 223 H ILE 30 H ILE 30 -1.221 4.680 12.412 224 HA ILE 30 HA ILE 30 0.413 7.027 12.700 225 HB ILE 30 HB ILE 30 -1.596 5.919 14.699 226 HG12 ILE 30 2HG1 ILE 30 -2.075 7.880 12.429 227 HG13 ILE 30 1HG1 ILE 30 -2.644 6.220 12.484 228 HG21 ILE 30 1HG2 ILE 30 -0.114 7.615 15.606 229 HG22 ILE 30 2HG2 ILE 30 -1.725 8.328 15.410 230 HG23 ILE 30 3HG2 ILE 30 -0.436 8.668 14.246 231 HD11 ILE 30 3HD1 ILE 30 -4.417 7.785 13.033 232 HD12 ILE 30 1HD1 ILE 30 -3.457 8.419 14.373 233 HD13 ILE 30 2HD1 ILE 30 -4.037 6.754 14.414 234 H LYS 31 H LYS 31 0.381 3.845 13.750 235 HA LYS 31 HA LYS 31 1.890 3.897 16.118 236 HB2 LYS 31 2HB LYS 31 1.886 1.813 13.924 237 HB3 LYS 31 1HB LYS 31 2.497 1.575 15.553 238 HG2 LYS 31 2HG LYS 31 -0.364 2.155 14.813 239 HG3 LYS 31 1HG LYS 31 0.291 0.578 15.250 240 HD2 LYS 31 2HD LYS 31 0.891 1.452 17.459 241 HD3 LYS 31 1HD LYS 31 0.224 3.023 17.021 242 HE2 LYS 31 2HE LYS 31 -1.327 0.437 17.181 243 HE3 LYS 31 1HE LYS 31 -1.322 1.705 18.402 244 HZ1 LYS 31 3HZ LYS 31 -2.270 3.219 16.742 245 HZ2 LYS 31 1HZ LYS 31 -3.267 1.921 17.030 246 HZ3 LYS 31 2HZ LYS 31 -2.358 1.980 15.612 247 H ASP 32 H ASP 32 2.773 3.948 12.719 248 HA ASP 32 HA ASP 32 5.580 3.849 13.131 249 HB2 ASP 32 2HB ASP 32 4.036 5.001 10.785 250 HB3 ASP 32 1HB ASP 32 5.765 4.655 10.805 251 H GLY 33 H GLY 33 3.236 6.440 12.801 252 HA2 GLY 33 2HA GLY 33 4.017 8.210 14.549 253 HA3 GLY 33 1HA GLY 33 5.312 8.422 13.394 254 H CYS 34 H CYS 34 3.711 7.995 11.071 255 HA CYS 34 HA CYS 34 2.721 10.634 10.777 256 HB2 CYS 34 2HB CYS 34 3.738 9.353 8.918 257 HB3 CYS 34 1HB CYS 34 2.367 8.248 8.920 258 H ARG 35 H ARG 35 0.716 11.354 10.991 259 HA ARG 35 HA ARG 35 -0.994 9.569 12.468 260 HB2 ARG 35 2HB ARG 35 -1.144 12.555 12.190 261 HB3 ARG 35 1HB ARG 35 -2.229 11.579 13.193 262 HG2 ARG 35 2HG ARG 35 -0.386 10.752 14.479 263 HG3 ARG 35 1HG ARG 35 0.760 11.599 13.451 264 HD2 ARG 35 2HD ARG 35 -0.230 13.720 14.190 265 HD3 ARG 35 1HD ARG 35 -1.288 12.817 15.287 266 HE ARG 35 HE ARG 35 1.056 11.870 15.994 267 HH11 ARG 35 1HH1 ARG 35 0.045 15.204 15.491 268 HH12 ARG 35 2HH1 ARG 35 1.231 15.872 16.511 269 HH21 ARG 35 1HH2 ARG 35 2.731 12.777 17.375 270 HH22 ARG 35 2HH2 ARG 35 2.799 14.450 17.597 271 H VAL 36 H VAL 36 -0.895 10.196 9.342 272 HA VAL 36 HA VAL 36 -3.725 9.603 9.176 273 HB VAL 36 HB VAL 36 -3.250 11.597 7.847 274 HG11 VAL 36 1HG1 VAL 36 -1.711 11.616 5.942 275 HG12 VAL 36 2HG1 VAL 36 -1.173 9.995 6.376 276 HG13 VAL 36 3HG1 VAL 36 -0.880 11.343 7.474 277 HG21 VAL 36 3HG2 VAL 36 -4.017 10.881 5.615 278 HG22 VAL 36 1HG2 VAL 36 -4.914 10.097 6.918 279 HG23 VAL 36 2HG2 VAL 36 -3.662 9.208 6.053 280 HA PRO 37 HA PRO 37 -1.776 5.651 8.507 281 HB2 PRO 37 2HB PRO 37 -3.878 4.146 9.325 282 HB3 PRO 37 1HB PRO 37 -2.755 4.911 10.448 283 HG2 PRO 37 2HG PRO 37 -5.514 5.721 9.708 284 HG3 PRO 37 1HG PRO 37 -4.659 5.909 11.240 285 HD2 PRO 37 2HD PRO 37 -5.042 7.892 9.336 286 HD3 PRO 37 1HD PRO 37 -3.847 7.934 10.648 287 H ALA 38 H ALA 38 -1.694 4.620 6.662 288 HA ALA 38 HA ALA 38 -3.902 3.849 5.132 289 HB1 ALA 38 1HB ALA 38 -2.331 6.189 4.056 290 HB2 ALA 38 2HB ALA 38 -3.999 6.257 4.639 291 HB3 ALA 38 3HB ALA 38 -3.609 5.282 3.231 292 H VAL 39 H VAL 39 -3.237 2.572 3.419 293 HA VAL 39 HA VAL 39 -0.384 2.050 3.436 294 HB VAL 39 HB VAL 39 -1.754 0.053 3.815 295 HG11 VAL 39 1HG1 VAL 39 -3.809 0.709 2.739 296 HG12 VAL 39 2HG1 VAL 39 -3.238 -0.853 2.143 297 HG13 VAL 39 3HG1 VAL 39 -3.025 0.591 1.152 298 HG21 VAL 39 3HG2 VAL 39 -0.901 -1.397 2.026 299 HG22 VAL 39 1HG2 VAL 39 0.321 -0.260 2.600 300 HG23 VAL 39 2HG2 VAL 39 -0.513 0.036 1.073 301 H VAL 40 H VAL 40 0.805 2.906 1.883 302 HA VAL 40 HA VAL 40 -0.653 4.157 -0.219 303 HB VAL 40 HB VAL 40 1.181 5.403 -0.724 304 HG11 VAL 40 1HG1 VAL 40 2.176 6.312 1.318 305 HG12 VAL 40 2HG1 VAL 40 1.478 4.964 2.211 306 HG13 VAL 40 3HG1 VAL 40 0.427 6.099 1.364 307 HG21 VAL 40 3HG2 VAL 40 3.007 3.320 0.465 308 HG22 VAL 40 1HG2 VAL 40 3.569 4.927 -0.077 309 HG23 VAL 40 2HG2 VAL 40 2.800 3.824 -1.212 310 H PHE 41 H PHE 41 -1.094 3.221 -2.010 311 HA PHE 41 HA PHE 41 0.320 0.821 -2.710 312 HB2 PHE 41 2HB PHE 41 -2.210 2.093 -3.657 313 HB3 PHE 41 1HB PHE 41 -1.494 0.811 -4.586 314 HD1 PHE 41 2HD PHE 41 -0.551 -0.804 -2.046 315 HD2 PHE 41 1HD PHE 41 -4.252 1.018 -3.139 316 HE1 PHE 41 2HE PHE 41 -1.746 -2.420 -0.672 317 HE2 PHE 41 1HE PHE 41 -5.452 -0.599 -1.759 318 HZ PHE 41 HZ PHE 41 -4.193 -2.347 -0.527 319 H THR 42 H THR 42 2.086 1.028 -3.794 320 HA THR 42 HA THR 42 2.491 3.200 -5.619 321 HB THR 42 HB THR 42 4.081 0.680 -5.068 322 HG1 THR 42 1HG THR 42 3.758 2.884 -3.683 323 HG21 THR 42 3HG2 THR 42 5.950 1.841 -6.205 324 HG22 THR 42 1HG2 THR 42 4.858 3.169 -6.622 325 HG23 THR 42 2HG2 THR 42 4.584 1.554 -7.288 326 H THR 43 H THR 43 1.130 3.065 -7.279 327 HA THR 43 HA THR 43 0.186 0.634 -8.366 328 HB THR 43 HB THR 43 -0.778 2.078 -10.158 329 HG1 THR 43 1HG THR 43 0.303 4.245 -8.656 330 HG21 THR 43 3HG2 THR 43 -1.152 3.081 -7.336 331 HG22 THR 43 1HG2 THR 43 -1.981 1.692 -8.043 332 HG23 THR 43 2HG2 THR 43 -2.287 3.321 -8.666 333 H LEU 44 H LEU 44 0.358 0.284 -10.898 334 HA LEU 44 HA LEU 44 2.960 -0.460 -11.478 335 HB2 LEU 44 2HB LEU 44 0.613 0.006 -13.301 336 HB3 LEU 44 1HB LEU 44 2.079 -0.850 -13.706 337 HG LEU 44 HG LEU 44 0.065 -1.721 -11.630 338 HD11 LEU 44 1HD1 LEU 44 -0.805 -1.934 -13.878 339 HD12 LEU 44 2HD1 LEU 44 -0.457 -3.521 -13.192 340 HD13 LEU 44 3HD1 LEU 44 0.641 -2.810 -14.375 341 HD21 LEU 44 3HD2 LEU 44 2.332 -2.440 -11.052 342 HD22 LEU 44 1HD2 LEU 44 2.540 -3.109 -12.668 343 HD23 LEU 44 2HD2 LEU 44 1.354 -3.812 -11.570 344 H ARG 45 H ARG 45 1.182 2.423 -12.103 345 HA ARG 45 HA ARG 45 3.015 3.633 -13.928 346 HB2 ARG 45 2HB ARG 45 0.662 4.324 -13.794 347 HB3 ARG 45 1HB ARG 45 0.903 4.856 -12.142 348 HG2 ARG 45 2HG ARG 45 0.824 6.716 -13.713 349 HG3 ARG 45 1HG ARG 45 2.387 6.623 -12.898 350 HD2 ARG 45 2HD ARG 45 3.297 5.467 -14.882 351 HD3 ARG 45 1HD ARG 45 1.740 5.667 -15.686 352 HE ARG 45 HE ARG 45 2.348 8.180 -15.009 353 HH11 ARG 45 1HH1 ARG 45 4.247 5.686 -16.662 354 HH12 ARG 45 2HH1 ARG 45 5.177 6.799 -17.544 355 HH21 ARG 45 1HH2 ARG 45 3.612 9.679 -16.227 356 HH22 ARG 45 2HH2 ARG 45 4.800 9.127 -17.305 357 H GLY 46 H GLY 46 3.078 3.091 -10.561 358 HA2 GLY 46 2HA GLY 46 4.970 3.429 -9.248 359 HA3 GLY 46 1HA GLY 46 5.472 4.728 -10.320 360 H ARG 47 H ARG 47 2.366 5.360 -9.926 361 HA ARG 47 HA ARG 47 2.886 7.559 -8.143 362 HB2 ARG 47 2HB ARG 47 1.207 7.241 -10.254 363 HB3 ARG 47 1HB ARG 47 0.237 6.640 -8.908 364 HG2 ARG 47 2HG ARG 47 1.370 9.410 -8.930 365 HG3 ARG 47 1HG ARG 47 -0.186 9.035 -9.641 366 HD2 ARG 47 2HD ARG 47 -0.908 8.188 -7.392 367 HD3 ARG 47 1HD ARG 47 0.621 8.770 -6.732 368 HE ARG 47 HE ARG 47 -0.730 10.791 -8.194 369 HH11 ARG 47 1HH1 ARG 47 -0.680 9.261 -4.979 370 HH12 ARG 47 2HH1 ARG 47 -1.481 10.561 -4.232 371 HH21 ARG 47 1HH2 ARG 47 -1.822 12.547 -7.103 372 HH22 ARG 47 2HH2 ARG 47 -2.150 12.424 -5.429 373 H GLN 48 H GLN 48 2.555 7.459 -6.049 374 HA GLN 48 HA GLN 48 1.487 5.052 -4.819 375 HB2 GLN 48 2HB GLN 48 2.594 7.538 -3.472 376 HB3 GLN 48 1HB GLN 48 2.078 6.090 -2.639 377 HG2 GLN 48 2HG GLN 48 4.382 5.907 -2.638 378 HG3 GLN 48 1HG GLN 48 3.923 4.914 -4.007 379 HE21 GLN 48 1HE2 GLN 48 6.404 6.207 -3.368 380 HE22 GLN 48 2HE2 GLN 48 6.816 7.243 -4.687 381 H LEU 49 H LEU 49 -0.518 4.864 -4.198 382 HA LEU 49 HA LEU 49 -2.019 7.306 -3.588 383 HB2 LEU 49 2HB LEU 49 -2.370 6.360 -5.997 384 HB3 LEU 49 1HB LEU 49 -3.245 5.081 -5.187 385 HG LEU 49 HG LEU 49 -3.985 8.018 -5.025 386 HD11 LEU 49 1HD1 LEU 49 -4.256 7.232 -7.243 387 HD12 LEU 49 2HD1 LEU 49 -5.834 7.437 -6.448 388 HD13 LEU 49 3HD1 LEU 49 -5.152 5.819 -6.639 389 HD21 LEU 49 3HD2 LEU 49 -6.121 7.232 -4.145 390 HD22 LEU 49 1HD2 LEU 49 -4.786 6.736 -3.104 391 HD23 LEU 49 2HD2 LEU 49 -5.533 5.569 -4.194 392 H CYS 50 H CYS 50 -3.362 7.029 -1.833 393 HA CYS 50 HA CYS 50 -2.692 4.615 -0.426 394 HB2 CYS 50 2HB CYS 50 -3.880 7.185 0.407 395 HB3 CYS 50 1HB CYS 50 -3.116 5.995 1.464 396 H ALA 51 H ALA 51 -4.102 3.307 0.580 397 HA ALA 51 HA ALA 51 -6.963 3.700 0.078 398 HB1 ALA 51 1HB ALA 51 -7.201 1.333 -0.316 399 HB2 ALA 51 2HB ALA 51 -5.470 1.073 -0.045 400 HB3 ALA 51 3HB ALA 51 -6.032 2.018 -1.433 401 HA PRO 52 HA PRO 52 -7.666 3.246 4.308 402 HB2 PRO 52 2HB PRO 52 -9.972 1.845 4.492 403 HB3 PRO 52 1HB PRO 52 -9.914 3.487 3.854 404 HG2 PRO 52 2HG PRO 52 -9.952 0.892 2.354 405 HG3 PRO 52 1HG PRO 52 -10.929 2.332 2.063 406 HD2 PRO 52 2HD PRO 52 -8.774 1.720 0.669 407 HD3 PRO 52 1HD PRO 52 -9.196 3.407 0.969 408 HA PRO 53 HA PRO 53 -5.513 -0.688 4.853 409 HB2 PRO 53 2HB PRO 53 -4.244 -0.058 7.129 410 HB3 PRO 53 1HB PRO 53 -3.768 0.625 5.569 411 HG2 PRO 53 2HG PRO 53 -5.441 1.839 7.733 412 HG3 PRO 53 1HG PRO 53 -4.127 2.570 6.798 413 HD2 PRO 53 2HD PRO 53 -6.759 2.957 6.220 414 HD3 PRO 53 1HD PRO 53 -5.518 2.993 4.969 415 H ASP 54 H ASP 54 -7.936 0.607 6.812 416 HA ASP 54 HA ASP 54 -7.884 -1.633 8.695 417 HB2 ASP 54 2HB ASP 54 -8.181 0.729 9.493 418 HB3 ASP 54 1HB ASP 54 -9.702 0.786 8.621 419 H GLN 55 H GLN 55 -9.347 -0.658 5.788 420 HA GLN 55 HA GLN 55 -11.787 -2.091 6.157 421 HB2 GLN 55 2HB GLN 55 -10.688 -0.387 3.970 422 HB3 GLN 55 1HB GLN 55 -12.020 -1.467 3.626 423 HG2 GLN 55 2HG GLN 55 -12.799 0.822 4.171 424 HG3 GLN 55 1HG GLN 55 -13.400 -0.420 5.258 425 HE21 GLN 55 1HE2 GLN 55 -12.840 -0.356 7.420 426 HE22 GLN 55 2HE2 GLN 55 -12.050 0.993 8.126 427 HA PRO 56 HA PRO 56 -10.887 -6.142 4.979 428 HB2 PRO 56 2HB PRO 56 -13.094 -6.714 3.449 429 HB3 PRO 56 1HB PRO 56 -13.039 -6.719 5.213 430 HG2 PRO 56 2HG PRO 56 -13.974 -4.558 3.361 431 HG3 PRO 56 1HG PRO 56 -14.731 -5.154 4.851 432 HD2 PRO 56 2HD PRO 56 -13.351 -2.910 4.879 433 HD3 PRO 56 1HD PRO 56 -13.177 -4.076 6.212 434 H TRP 57 H TRP 57 -11.982 -4.163 2.276 435 HA TRP 57 HA TRP 57 -11.156 -6.050 0.311 436 HB2 TRP 57 2HB TRP 57 -11.652 -4.433 -1.397 437 HB3 TRP 57 1HB TRP 57 -12.807 -4.145 -0.106 438 HD1 TRP 57 HD1 TRP 57 -12.480 -1.791 1.312 439 HE1 TRP 57 1HE TRP 57 -11.307 0.367 0.669 440 HE3 TRP 57 3HE TRP 57 -9.756 -3.498 -2.672 441 HZ2 TRP 57 2HZ TRP 57 -9.419 1.248 -1.281 442 HZ3 TRP 57 3HZ TRP 57 -8.298 -1.904 -3.857 443 HH2 TRP 57 HH2 TRP 57 -8.156 0.411 -3.168 444 H VAL 58 H VAL 58 -9.459 -3.636 2.062 445 HA VAL 58 HA VAL 58 -7.228 -3.584 0.278 446 HB VAL 58 HB VAL 58 -7.649 -2.292 2.992 447 HG11 VAL 58 1HG1 VAL 58 -5.293 -2.031 1.133 448 HG12 VAL 58 2HG1 VAL 58 -5.284 -2.823 2.709 449 HG13 VAL 58 3HG1 VAL 58 -5.567 -1.087 2.598 450 HG21 VAL 58 3HG2 VAL 58 -7.428 -1.140 0.213 451 HG22 VAL 58 1HG2 VAL 58 -7.647 -0.215 1.685 452 HG23 VAL 58 2HG2 VAL 58 -8.909 -1.306 1.138 453 H GLU 59 H GLU 59 -7.983 -5.148 3.365 454 HA GLU 59 HA GLU 59 -5.336 -5.902 3.863 455 HB2 GLU 59 2HB GLU 59 -6.190 -7.497 5.515 456 HB3 GLU 59 1HB GLU 59 -6.965 -5.932 5.662 457 HG2 GLU 59 2HG GLU 59 -8.927 -6.818 4.490 458 HG3 GLU 59 1HG GLU 59 -8.109 -8.375 4.374 459 H ARG 60 H ARG 60 -7.782 -7.542 1.932 460 HA ARG 60 HA ARG 60 -6.212 -9.919 1.692 461 HB2 ARG 60 2HB ARG 60 -8.533 -9.027 -0.040 462 HB3 ARG 60 1HB ARG 60 -7.668 -10.527 -0.314 463 HG2 ARG 60 2HG ARG 60 -9.621 -11.095 0.871 464 HG3 ARG 60 1HG ARG 60 -8.310 -11.182 2.049 465 HD2 ARG 60 2HD ARG 60 -8.945 -8.833 2.706 466 HD3 ARG 60 1HD ARG 60 -10.363 -9.021 1.693 467 HE ARG 60 HE ARG 60 -9.796 -10.810 3.948 468 HH11 ARG 60 1HH1 ARG 60 -12.120 -8.872 2.099 469 HH12 ARG 60 2HH1 ARG 60 -13.403 -9.081 3.199 470 HH21 ARG 60 1HH2 ARG 60 -11.582 -11.067 5.504 471 HH22 ARG 60 2HH2 ARG 60 -13.082 -10.354 5.163 472 H ILE 61 H ILE 61 -6.409 -7.032 -0.279 473 HA ILE 61 HA ILE 61 -4.691 -8.119 -2.269 474 HB ILE 61 HB ILE 61 -4.390 -5.704 -3.013 475 HG12 ILE 61 2HG1 ILE 61 -6.564 -5.290 -0.957 476 HG13 ILE 61 1HG1 ILE 61 -4.933 -4.641 -0.883 477 HG21 ILE 61 1HG2 ILE 61 -6.709 -5.657 -4.004 478 HG22 ILE 61 2HG2 ILE 61 -7.125 -6.974 -2.912 479 HG23 ILE 61 3HG2 ILE 61 -5.895 -7.208 -4.142 480 HD11 ILE 61 3HD1 ILE 61 -7.044 -3.938 -2.907 481 HD12 ILE 61 1HD1 ILE 61 -5.412 -3.274 -2.842 482 HD13 ILE 61 2HD1 ILE 61 -6.539 -2.959 -1.533 483 H ILE 62 H ILE 62 -4.151 -6.254 0.611 484 HA ILE 62 HA ILE 62 -1.387 -5.846 0.313 485 HB ILE 62 HB ILE 62 -2.976 -6.363 2.848 486 HG12 ILE 62 2HG1 ILE 62 -2.008 -3.787 1.603 487 HG13 ILE 62 1HG1 ILE 62 -3.668 -4.355 1.643 488 HG21 ILE 62 1HG2 ILE 62 -1.096 -5.370 4.077 489 HG22 ILE 62 2HG2 ILE 62 -0.168 -5.301 2.581 490 HG23 ILE 62 3HG2 ILE 62 -0.636 -6.864 3.256 491 HD11 ILE 62 3HD1 ILE 62 -3.680 -4.187 4.076 492 HD12 ILE 62 1HD1 ILE 62 -3.268 -2.644 3.327 493 HD13 ILE 62 2HD1 ILE 62 -2.005 -3.638 4.045 494 H GLN 63 H GLN 63 -3.195 -8.547 1.721 495 HA GLN 63 HA GLN 63 -1.041 -10.185 2.405 496 HB2 GLN 63 2HB GLN 63 -3.827 -10.916 1.548 497 HB3 GLN 63 1HB GLN 63 -2.659 -12.081 2.143 498 HG2 GLN 63 2HG GLN 63 -3.736 -9.720 3.651 499 HG3 GLN 63 1HG GLN 63 -4.214 -11.409 3.837 500 HE21 GLN 63 1HE2 GLN 63 -3.021 -9.557 5.803 501 HE22 GLN 63 2HE2 GLN 63 -1.591 -10.339 6.346 502 H ARG 64 H ARG 64 -2.804 -9.907 -0.597 503 HA ARG 64 HA ARG 64 -1.534 -11.989 -1.944 504 HB2 ARG 64 2HB ARG 64 -3.585 -10.899 -2.758 505 HB3 ARG 64 1HB ARG 64 -2.670 -9.443 -3.105 506 HG2 ARG 64 2HG ARG 64 -1.387 -10.580 -4.749 507 HG3 ARG 64 1HG ARG 64 -2.169 -12.119 -4.379 508 HD2 ARG 64 2HD ARG 64 -4.327 -11.158 -5.059 509 HD3 ARG 64 1HD ARG 64 -3.515 -9.651 -5.488 510 HE ARG 64 HE ARG 64 -2.206 -11.603 -6.871 511 HH11 ARG 64 1HH1 ARG 64 -5.563 -10.508 -6.730 512 HH12 ARG 64 2HH1 ARG 64 -5.912 -10.879 -8.346 513 HH21 ARG 64 1HH2 ARG 64 -2.673 -12.138 -9.092 514 HH22 ARG 64 2HH2 ARG 64 -4.245 -11.847 -9.709 515 H LEU 65 H LEU 65 -0.550 -8.556 -1.642 516 HA LEU 65 HA LEU 65 1.736 -9.005 -3.263 517 HB2 LEU 65 2HB LEU 65 1.097 -6.754 -1.364 518 HB3 LEU 65 1HB LEU 65 2.475 -6.779 -2.442 519 HG LEU 65 HG LEU 65 -0.430 -6.694 -3.264 520 HD11 LEU 65 1HD1 LEU 65 0.305 -4.616 -2.361 521 HD12 LEU 65 2HD1 LEU 65 0.180 -4.454 -4.114 522 HD13 LEU 65 3HD1 LEU 65 1.759 -4.644 -3.369 523 HD21 LEU 65 3HD2 LEU 65 2.062 -6.638 -4.972 524 HD22 LEU 65 1HD2 LEU 65 0.413 -6.391 -5.544 525 HD23 LEU 65 2HD2 LEU 65 0.892 -7.957 -4.895 526 H GLN 66 H GLN 66 1.036 -9.299 0.141 527 HA GLN 66 HA GLN 66 3.747 -9.433 0.974 528 HB2 GLN 66 2HB GLN 66 1.276 -10.489 2.323 529 HB3 GLN 66 1HB GLN 66 2.877 -10.533 3.037 530 HG2 GLN 66 2HG GLN 66 2.967 -8.097 2.872 531 HG3 GLN 66 1HG GLN 66 1.294 -8.097 2.299 532 HE21 GLN 66 1HE2 GLN 66 -0.335 -8.709 3.727 533 HE22 GLN 66 2HE2 GLN 66 -0.080 -8.728 5.440 534 H ARG 67 H ARG 67 1.448 -11.889 -0.171 535 HA ARG 67 HA ARG 67 2.549 -14.163 0.646 536 HB2 ARG 67 2HB ARG 67 0.436 -13.607 -0.640 537 HB3 ARG 67 1HB ARG 67 1.421 -13.627 -2.086 538 HG2 ARG 67 2HG ARG 67 1.257 -15.838 -0.179 539 HG3 ARG 67 1HG ARG 67 0.087 -15.656 -1.494 540 HD2 ARG 67 2HD ARG 67 3.097 -16.033 -1.792 541 HD3 ARG 67 1HD ARG 67 1.890 -17.290 -2.072 542 HE ARG 67 HE ARG 67 1.311 -15.040 -3.647 543 HH11 ARG 67 1HH1 ARG 67 3.629 -17.747 -3.514 544 HH12 ARG 67 2HH1 ARG 67 3.895 -17.750 -5.180 545 HH21 ARG 67 1HH2 ARG 67 1.721 -15.068 -5.955 546 HH22 ARG 67 2HH2 ARG 67 2.807 -16.186 -6.598 547 H THR 68 H THR 68 3.620 -12.169 -2.130 548 HA THR 68 HA THR 68 5.562 -14.138 -2.900 549 HB THR 68 HB THR 68 6.208 -12.440 -4.578 550 HG1 THR 68 1HG THR 68 5.708 -10.516 -3.995 551 HG21 THR 68 3HG2 THR 68 3.247 -13.013 -4.404 552 HG22 THR 68 1HG2 THR 68 4.466 -14.082 -5.093 553 HG23 THR 68 2HG2 THR 68 4.109 -12.538 -5.869 554 H SER 69 H SER 69 5.431 -11.436 -0.912 555 HA SER 69 HA SER 69 8.286 -10.897 -0.921 556 HB2 SER 69 2HB SER 69 6.625 -9.040 -0.805 557 HB3 SER 69 1HB SER 69 6.067 -9.660 0.744 558 HG SER 69 HG SER 69 7.650 -8.682 1.662 559 H ALA 70 H ALA 70 6.003 -12.757 0.810 560 HA ALA 70 HA ALA 70 7.213 -12.983 3.332 561 HB1 ALA 70 1HB ALA 70 5.787 -14.953 3.613 562 HB2 ALA 70 2HB ALA 70 5.449 -14.950 1.882 563 HB3 ALA 70 3HB ALA 70 4.893 -13.616 2.893 564 H LYS 71 H LYS 71 7.939 -14.433 0.287 565 HA LYS 71 HA LYS 71 9.574 -16.462 1.501 566 HB2 LYS 71 2HB LYS 71 8.409 -16.778 -0.650 567 HB3 LYS 71 1HB LYS 71 9.509 -15.646 -1.437 568 HG2 LYS 71 2HG LYS 71 10.259 -18.300 -0.145 569 HG3 LYS 71 1HG LYS 71 10.058 -18.056 -1.862 570 HD2 LYS 71 2HD LYS 71 12.139 -16.707 -0.130 571 HD3 LYS 71 1HD LYS 71 12.424 -18.122 -1.142 572 HE2 LYS 71 2HE LYS 71 11.881 -16.810 -3.133 573 HE3 LYS 71 1HE LYS 71 11.559 -15.397 -2.121 574 HZ1 LYS 71 3HZ LYS 71 14.178 -16.780 -2.363 575 HZ2 LYS 71 1HZ LYS 71 13.867 -15.423 -1.427 576 HZ3 LYS 71 2HZ LYS 71 13.778 -15.320 -3.104 577 H MET 72 H MET 72 10.952 -15.618 2.591 578 HA MET 72 HA MET 72 12.928 -13.773 1.438 579 HB2 MET 72 2HB MET 72 13.136 -12.721 3.701 580 HB3 MET 72 1HB MET 72 11.546 -12.493 2.987 581 HG2 MET 72 2HG MET 72 10.725 -14.331 4.347 582 HG3 MET 72 1HG MET 72 12.299 -14.464 5.134 583 HE1 MET 72 3HE MET 72 13.328 -12.477 6.642 584 HE2 MET 72 1HE MET 72 12.489 -10.957 6.954 585 HE3 MET 72 2HE MET 72 13.072 -11.324 5.333 586 H LYS 73 H LYS 73 14.718 -13.807 3.554 587 HA LYS 73 HA LYS 73 16.040 -16.240 3.080 588 HB2 LYS 73 2HB LYS 73 16.548 -14.187 5.267 589 HB3 LYS 73 1HB LYS 73 17.625 -15.511 4.874 590 HG2 LYS 73 2HG LYS 73 18.545 -13.513 3.921 591 HG3 LYS 73 1HG LYS 73 17.925 -14.491 2.598 592 HD2 LYS 73 2HD LYS 73 15.913 -13.094 2.497 593 HD3 LYS 73 1HD LYS 73 16.504 -12.125 3.846 594 HE2 LYS 73 2HE LYS 73 16.896 -10.993 1.737 595 HE3 LYS 73 1HE LYS 73 18.432 -11.440 2.468 596 HZ1 LYS 73 3HZ LYS 73 18.510 -13.356 0.960 597 HZ2 LYS 73 1HZ LYS 73 18.423 -11.916 0.102 598 HZ3 LYS 73 2HZ LYS 73 17.063 -12.885 0.261 599 H ARG 74 H ARG 74 15.808 -18.150 4.025 600 HA ARG 74 HA ARG 74 13.726 -18.520 5.906 601 HB2 ARG 74 2HB ARG 74 14.283 -20.220 4.200 602 HB3 ARG 74 1HB ARG 74 15.820 -20.505 5.001 603 HG2 ARG 74 2HG ARG 74 14.637 -21.257 7.002 604 HG3 ARG 74 1HG ARG 74 13.096 -20.986 6.179 605 HD2 ARG 74 2HD ARG 74 13.781 -22.633 4.462 606 HD3 ARG 74 1HD ARG 74 15.265 -22.905 5.376 607 HE ARG 74 HE ARG 74 12.954 -23.276 6.972 608 HH11 ARG 74 1HH1 ARG 74 15.022 -24.853 4.586 609 HH12 ARG 74 2HH1 ARG 74 14.602 -26.445 5.024 610 HH21 ARG 74 1HH2 ARG 74 12.354 -25.476 7.611 611 HH22 ARG 74 2HH2 ARG 74 13.038 -26.798 6.798 612 H ARG 75 H ARG 75 13.995 -17.760 7.865 613 HA ARG 75 HA ARG 75 16.198 -18.758 9.514 614 HB2 ARG 75 2HB ARG 75 16.894 -16.594 8.409 615 HB3 ARG 75 1HB ARG 75 15.555 -15.816 9.222 616 HG2 ARG 75 2HG ARG 75 16.589 -16.363 11.392 617 HG3 ARG 75 1HG ARG 75 17.946 -17.095 10.528 618 HD2 ARG 75 2HD ARG 75 18.366 -14.960 9.409 619 HD3 ARG 75 1HD ARG 75 17.042 -14.245 10.322 620 HE ARG 75 HE ARG 75 19.057 -15.452 11.946 621 HH11 ARG 75 1HH1 ARG 75 18.041 -12.503 10.264 622 HH12 ARG 75 2HH1 ARG 75 19.018 -11.465 11.186 623 HH21 ARG 75 1HH2 ARG 75 20.432 -14.027 13.214 624 HH22 ARG 75 2HH2 ARG 75 20.405 -12.349 12.909 625 H SER 76 H SER 76 13.263 -18.965 9.140 626 HA SER 76 HA SER 76 11.356 -19.142 10.233 627 HB2 SER 76 2HB SER 76 12.922 -18.513 12.760 628 HB3 SER 76 1HB SER 76 11.302 -19.206 12.696 629 HG SER 76 HG SER 76 13.089 -20.579 11.168 630 H SER 77 H SER 77 10.618 -17.395 9.069 631 HA SER 77 HA SER 77 9.735 -15.217 10.708 632 HB2 SER 77 2HB SER 77 11.383 -14.737 8.195 633 HB3 SER 77 1HB SER 77 10.538 -13.491 9.116 634 HG SER 77 HG SER 77 12.112 -15.048 10.667 Start of MODEL 11 1 H1 GLY 1 1HT GLY 1 6.588 19.770 -3.990 2 H2 GLY 1 2HT GLY 1 8.125 20.434 -3.876 3 H3 GLY 1 3HT GLY 1 7.449 20.085 -5.406 4 HA2 GLY 1 1HA GLY 1 7.368 22.448 -4.935 5 HA3 GLY 1 2HA GLY 1 5.765 21.742 -5.076 6 H THR 2 H THR 2 5.429 23.892 -3.771 7 HA THR 2 HA THR 2 6.120 23.624 -1.019 8 HB THR 2 HB THR 2 4.629 25.631 -0.685 9 HG1 THR 2 1HG THR 2 3.392 25.116 -2.620 10 HG21 THR 2 3HG2 THR 2 7.031 25.877 -1.026 11 HG22 THR 2 1HG2 THR 2 6.160 27.194 -1.804 12 HG23 THR 2 2HG2 THR 2 6.802 25.867 -2.774 13 H ASN 3 H ASN 3 5.313 21.668 -0.576 14 HA ASN 3 HA ASN 3 2.966 21.540 0.877 15 HB2 ASN 3 2HB ASN 3 1.794 21.453 -1.346 16 HB3 ASN 3 1HB ASN 3 2.788 20.072 -1.785 17 HD21 ASN 3 1HD2 ASN 3 0.952 18.757 -2.062 18 HD22 ASN 3 2HD2 ASN 3 0.059 18.158 -0.713 19 H ASP 4 H ASP 4 3.540 20.097 2.336 20 HA ASP 4 HA ASP 4 5.744 18.344 1.695 21 HB2 ASP 4 2HB ASP 4 4.310 18.763 4.327 22 HB3 ASP 4 1HB ASP 4 5.726 17.747 4.095 23 H ALA 5 H ALA 5 5.479 16.388 0.995 24 HA ALA 5 HA ALA 5 2.874 15.196 0.974 25 HB1 ALA 5 1HB ALA 5 5.504 14.034 0.044 26 HB2 ALA 5 2HB ALA 5 4.382 14.956 -0.958 27 HB3 ALA 5 3HB ALA 5 3.901 13.386 -0.313 28 H GLU 6 H GLU 6 5.349 15.295 3.040 29 HA GLU 6 HA GLU 6 5.909 14.433 4.960 30 HB2 GLU 6 2HB GLU 6 3.409 14.869 5.217 31 HB3 GLU 6 1HB GLU 6 3.196 13.142 5.019 32 HG2 GLU 6 2HG GLU 6 4.392 12.690 7.005 33 HG3 GLU 6 1HG GLU 6 4.937 14.380 7.054 34 H ASP 7 H ASP 7 5.969 12.171 6.267 35 HA ASP 7 HA ASP 7 7.430 10.378 4.481 36 HB2 ASP 7 2HB ASP 7 8.225 10.893 6.798 37 HB3 ASP 7 1HB ASP 7 6.807 10.064 7.424 38 H CYS 8 H CYS 8 4.426 10.438 5.963 39 HA CYS 8 HA CYS 8 3.851 7.749 5.059 40 HB2 CYS 8 2HB CYS 8 1.733 8.176 6.438 41 HB3 CYS 8 1HB CYS 8 3.263 8.052 7.304 42 H CYS 9 H CYS 9 1.003 8.127 4.762 43 HA CYS 9 HA CYS 9 1.086 9.519 2.217 44 HB2 CYS 9 2HB CYS 9 -0.046 7.102 2.870 45 HB3 CYS 9 1HB CYS 9 -1.406 8.220 3.057 46 H LEU 10 H LEU 10 -1.447 10.434 1.892 47 HA LEU 10 HA LEU 10 -1.567 12.479 3.993 48 HB2 LEU 10 2HB LEU 10 -2.373 12.678 1.095 49 HB3 LEU 10 1HB LEU 10 -2.558 13.954 2.279 50 HG LEU 10 HG LEU 10 0.073 12.806 1.335 51 HD11 LEU 10 1HD1 LEU 10 -1.229 15.464 0.778 52 HD12 LEU 10 2HD1 LEU 10 -1.020 14.145 -0.373 53 HD13 LEU 10 3HD1 LEU 10 0.391 14.982 0.274 54 HD21 LEU 10 3HD2 LEU 10 1.081 14.657 2.594 55 HD22 LEU 10 1HD2 LEU 10 0.209 13.547 3.652 56 HD23 LEU 10 2HD2 LEU 10 -0.512 15.095 3.211 57 H SER 11 H SER 11 -3.778 10.870 1.661 58 HA SER 11 HA SER 11 -5.810 10.526 3.667 59 HB2 SER 11 2HB SER 11 -6.258 12.592 1.483 60 HB3 SER 11 1HB SER 11 -7.510 11.975 2.552 61 HG SER 11 HG SER 11 -5.269 12.947 3.829 62 H VAL 12 H VAL 12 -7.348 8.979 2.960 63 HA VAL 12 HA VAL 12 -6.750 7.963 0.289 64 HB VAL 12 HB VAL 12 -7.438 5.879 0.878 65 HG11 VAL 12 1HG1 VAL 12 -5.508 6.253 2.119 66 HG12 VAL 12 2HG1 VAL 12 -6.578 5.251 3.100 67 HG13 VAL 12 3HG1 VAL 12 -6.407 6.971 3.454 68 HG21 VAL 12 3HG2 VAL 12 -9.157 6.927 3.152 69 HG22 VAL 12 1HG2 VAL 12 -8.911 5.216 2.694 70 HG23 VAL 12 2HG2 VAL 12 -9.674 6.310 1.566 71 H THR 13 H THR 13 -8.471 7.460 -1.095 72 HA THR 13 HA THR 13 -10.682 9.316 -0.698 73 HB THR 13 HB THR 13 -9.467 9.554 -2.833 74 HG1 THR 13 1HG THR 13 -11.175 9.866 -4.011 75 HG21 THR 13 3HG2 THR 13 -8.759 7.253 -3.158 76 HG22 THR 13 1HG2 THR 13 -9.622 7.839 -4.581 77 HG23 THR 13 2HG2 THR 13 -10.430 6.764 -3.438 78 H GLN 14 H GLN 14 -12.788 8.381 -1.952 79 HA GLN 14 HA GLN 14 -14.084 6.732 -0.187 80 HB2 GLN 14 2HB GLN 14 -15.201 8.083 -1.919 81 HB3 GLN 14 1HB GLN 14 -14.651 6.956 -3.147 82 HG2 GLN 14 2HG GLN 14 -15.986 5.190 -2.143 83 HG3 GLN 14 1HG GLN 14 -16.498 6.312 -0.878 84 HE21 GLN 14 1HE2 GLN 14 -16.760 5.490 -4.235 85 HE22 GLN 14 2HE2 GLN 14 -18.159 6.440 -4.564 86 H LYS 15 H LYS 15 -12.602 5.700 -3.240 87 HA LYS 15 HA LYS 15 -11.524 3.475 -1.925 88 HB2 LYS 15 2HB LYS 15 -13.735 2.520 -2.523 89 HB3 LYS 15 1HB LYS 15 -13.424 2.897 -4.213 90 HG2 LYS 15 2HG LYS 15 -11.489 1.450 -4.211 91 HG3 LYS 15 1HG LYS 15 -11.748 1.085 -2.513 92 HD2 LYS 15 2HD LYS 15 -13.790 0.464 -4.667 93 HD3 LYS 15 1HD LYS 15 -12.543 -0.678 -4.199 94 HE2 LYS 15 2HE LYS 15 -14.626 -1.233 -3.086 95 HE3 LYS 15 1HE LYS 15 -13.459 -0.691 -1.894 96 HZ1 LYS 15 3HZ LYS 15 -14.623 1.371 -1.688 97 HZ2 LYS 15 1HZ LYS 15 -15.733 0.144 -1.567 98 HZ3 LYS 15 2HZ LYS 15 -15.655 1.033 -2.979 99 HA PRO 16 HA PRO 16 -8.707 5.516 -4.664 100 HB2 PRO 16 2HB PRO 16 -6.535 3.922 -3.844 101 HB3 PRO 16 1HB PRO 16 -7.032 5.470 -3.181 102 HG2 PRO 16 2HG PRO 16 -7.645 2.728 -2.123 103 HG3 PRO 16 1HG PRO 16 -7.329 4.222 -1.292 104 HD2 PRO 16 2HD PRO 16 -9.704 3.225 -1.483 105 HD3 PRO 16 1HD PRO 16 -9.367 4.958 -1.492 106 H ILE 17 H ILE 17 -7.524 2.120 -4.590 107 HA ILE 17 HA ILE 17 -8.156 1.863 -7.416 108 HB ILE 17 HB ILE 17 -5.893 1.300 -8.083 109 HG12 ILE 17 2HG1 ILE 17 -4.872 0.574 -5.974 110 HG13 ILE 17 1HG1 ILE 17 -3.877 1.799 -6.739 111 HG21 ILE 17 1HG2 ILE 17 -6.092 4.076 -7.029 112 HG22 ILE 17 2HG2 ILE 17 -6.528 3.479 -8.630 113 HG23 ILE 17 3HG2 ILE 17 -4.837 3.519 -8.133 114 HD11 ILE 17 3HD1 ILE 17 -5.689 2.150 -4.354 115 HD12 ILE 17 1HD1 ILE 17 -4.795 3.451 -5.138 116 HD13 ILE 17 2HD1 ILE 17 -3.924 2.137 -4.364 117 HA PRO 18 HA PRO 18 -8.424 -2.435 -6.319 118 HB2 PRO 18 2HB PRO 18 -7.488 -3.551 -8.677 119 HB3 PRO 18 1HB PRO 18 -9.154 -3.026 -8.416 120 HG2 PRO 18 2HG PRO 18 -6.912 -1.619 -9.792 121 HG3 PRO 18 1HG PRO 18 -8.626 -1.684 -10.228 122 HD2 PRO 18 2HD PRO 18 -7.559 0.469 -9.052 123 HD3 PRO 18 1HD PRO 18 -9.209 -0.065 -8.682 124 H GLY 19 H GLY 19 -7.079 -3.939 -5.457 125 HA2 GLY 19 2HA GLY 19 -4.310 -3.177 -5.129 126 HA3 GLY 19 1HA GLY 19 -5.129 -4.508 -4.331 127 H TYR 20 H TYR 20 -5.734 -4.861 -7.514 128 HA TYR 20 HA TYR 20 -3.584 -6.764 -7.686 129 HB2 TYR 20 2HB TYR 20 -6.115 -6.489 -9.326 130 HB3 TYR 20 1HB TYR 20 -4.840 -7.682 -9.577 131 HD1 TYR 20 1HD TYR 20 -4.443 -9.461 -7.988 132 HD2 TYR 20 2HD TYR 20 -7.647 -6.724 -7.490 133 HE1 TYR 20 1HE TYR 20 -5.456 -10.967 -6.340 134 HE2 TYR 20 2HE TYR 20 -8.676 -8.218 -5.838 135 HH TYR 20 HH TYR 20 -8.622 -10.623 -5.281 136 H ILE 21 H ILE 21 -3.959 -3.617 -8.500 137 HA ILE 21 HA ILE 21 -2.265 -3.933 -10.895 138 HB ILE 21 HB ILE 21 -2.872 -1.695 -11.606 139 HG12 ILE 21 2HG1 ILE 21 -4.674 -1.567 -9.174 140 HG13 ILE 21 1HG1 ILE 21 -3.154 -0.697 -9.340 141 HG21 ILE 21 1HG2 ILE 21 -5.246 -2.042 -12.105 142 HG22 ILE 21 2HG2 ILE 21 -5.309 -3.310 -10.879 143 HG23 ILE 21 3HG2 ILE 21 -4.308 -3.519 -12.314 144 HD11 ILE 21 3HD1 ILE 21 -5.604 -0.332 -11.048 145 HD12 ILE 21 1HD1 ILE 21 -4.080 0.527 -11.241 146 HD13 ILE 21 2HD1 ILE 21 -5.040 0.764 -9.786 147 H VAL 22 H VAL 22 -1.912 -3.562 -7.779 148 HA VAL 22 HA VAL 22 0.063 -1.435 -7.893 149 HB VAL 22 HB VAL 22 -1.337 -1.187 -5.959 150 HG11 VAL 22 1HG1 VAL 22 -2.244 -3.384 -5.846 151 HG12 VAL 22 2HG1 VAL 22 -1.589 -2.923 -4.277 152 HG13 VAL 22 3HG1 VAL 22 -0.684 -4.031 -5.328 153 HG21 VAL 22 3HG2 VAL 22 1.251 -2.432 -5.080 154 HG22 VAL 22 1HG2 VAL 22 0.218 -1.401 -4.091 155 HG23 VAL 22 2HG2 VAL 22 0.999 -0.746 -5.527 156 H ARG 23 H ARG 23 2.114 -1.601 -7.684 157 HA ARG 23 HA ARG 23 3.242 -4.179 -8.401 158 HB2 ARG 23 2HB ARG 23 3.724 -1.664 -9.314 159 HB3 ARG 23 1HB ARG 23 4.868 -1.714 -8.008 160 HG2 ARG 23 2HG ARG 23 4.810 -3.693 -10.274 161 HG3 ARG 23 1HG ARG 23 5.887 -2.309 -10.158 162 HD2 ARG 23 2HD ARG 23 6.885 -3.247 -8.151 163 HD3 ARG 23 1HD ARG 23 5.757 -4.601 -8.214 164 HE ARG 23 HE ARG 23 6.967 -4.624 -10.624 165 HH11 ARG 23 1HH1 ARG 23 8.172 -4.667 -7.292 166 HH12 ARG 23 2HH1 ARG 23 9.530 -5.640 -7.667 167 HH21 ARG 23 1HH2 ARG 23 8.844 -5.986 -11.110 168 HH22 ARG 23 2HH2 ARG 23 9.917 -6.378 -9.832 169 H ASN 24 H ASN 24 3.936 -1.600 -6.003 170 HA ASN 24 HA ASN 24 4.532 -3.593 -3.977 171 HB2 ASN 24 2HB ASN 24 6.466 -1.388 -4.764 172 HB3 ASN 24 1HB ASN 24 6.516 -2.159 -3.188 173 HD21 ASN 24 1HD2 ASN 24 7.192 -4.321 -3.055 174 HD22 ASN 24 2HD2 ASN 24 8.061 -5.085 -4.332 175 H PHE 25 H PHE 25 4.725 -2.499 -1.756 176 HA PHE 25 HA PHE 25 3.073 -0.103 -1.639 177 HB2 PHE 25 2HB PHE 25 1.514 -1.093 -0.102 178 HB3 PHE 25 1HB PHE 25 1.429 -1.994 -1.579 179 HD1 PHE 25 1HD PHE 25 3.111 -4.111 -1.638 180 HD2 PHE 25 2HD PHE 25 1.581 -2.299 1.893 181 HE1 PHE 25 1HE PHE 25 3.532 -6.173 -0.421 182 HE2 PHE 25 2HE PHE 25 2.005 -4.381 3.146 183 HZ PHE 25 HZ PHE 25 2.981 -6.338 1.984 184 H HIS 26 H HIS 26 2.900 0.635 0.628 185 HA HIS 26 HA HIS 26 4.865 -0.410 2.478 186 HB2 HIS 26 2HB HIS 26 4.780 2.513 1.652 187 HB3 HIS 26 1HB HIS 26 5.602 1.925 3.085 188 HD1 HIS 26 1HD HIS 26 6.101 2.524 -0.478 189 HD2 HIS 26 2HD HIS 26 7.820 0.113 2.440 190 HE1 HIS 26 1HE HIS 26 8.243 1.810 -1.416 191 HE2 HIS 26 2HE HIS 26 9.269 0.265 0.324 192 H TYR 27 H TYR 27 4.224 -0.234 4.560 193 HA TYR 27 HA TYR 27 1.397 0.409 4.847 194 HB2 TYR 27 2HB TYR 27 2.584 -1.847 5.318 195 HB3 TYR 27 1HB TYR 27 3.128 -1.032 6.787 196 HD1 TYR 27 2HD TYR 27 0.012 -1.337 4.868 197 HD2 TYR 27 1HD TYR 27 1.871 -1.571 8.653 198 HE1 TYR 27 2HE TYR 27 -2.118 -1.901 5.816 199 HE2 TYR 27 1HE TYR 27 -0.296 -2.176 9.686 200 HH TYR 27 HH TYR 27 -2.960 -3.089 7.846 201 H LEU 28 H LEU 28 1.211 2.494 5.446 202 HA LEU 28 HA LEU 28 3.012 3.643 7.468 203 HB2 LEU 28 2HB LEU 28 1.083 4.940 5.526 204 HB3 LEU 28 1HB LEU 28 1.949 5.832 6.737 205 HG LEU 28 HG LEU 28 2.893 6.210 4.579 206 HD11 LEU 28 1HD1 LEU 28 4.772 4.484 6.170 207 HD12 LEU 28 2HD1 LEU 28 4.462 6.209 6.393 208 HD13 LEU 28 3HD1 LEU 28 5.238 5.654 4.930 209 HD21 LEU 28 3HD2 LEU 28 3.938 4.482 3.218 210 HD22 LEU 28 1HD2 LEU 28 2.216 4.185 3.436 211 HD23 LEU 28 2HD2 LEU 28 3.391 3.253 4.360 212 H LEU 29 H LEU 29 2.193 4.018 9.504 213 HA LEU 29 HA LEU 29 -0.741 3.969 9.837 214 HB2 LEU 29 2HB LEU 29 1.322 2.642 11.567 215 HB3 LEU 29 1HB LEU 29 -0.383 2.733 11.923 216 HG LEU 29 HG LEU 29 0.878 1.247 9.643 217 HD11 LEU 29 1HD1 LEU 29 0.175 -0.745 10.904 218 HD12 LEU 29 2HD1 LEU 29 -0.385 0.296 12.211 219 HD13 LEU 29 3HD1 LEU 29 1.325 0.241 11.802 220 HD21 LEU 29 3HD2 LEU 29 -1.344 2.041 9.033 221 HD22 LEU 29 1HD2 LEU 29 -2.005 1.401 10.539 222 HD23 LEU 29 2HD2 LEU 29 -1.376 0.304 9.312 223 H ILE 30 H ILE 30 -1.204 4.632 12.243 224 HA ILE 30 HA ILE 30 0.096 7.139 12.773 225 HB ILE 30 HB ILE 30 -1.977 5.621 14.431 226 HG12 ILE 30 2HG1 ILE 30 -2.302 7.949 12.518 227 HG13 ILE 30 1HG1 ILE 30 -2.842 6.297 12.241 228 HG21 ILE 30 1HG2 ILE 30 -0.692 7.148 15.832 229 HG22 ILE 30 2HG2 ILE 30 -2.343 7.752 15.635 230 HG23 ILE 30 3HG2 ILE 30 -1.002 8.464 14.722 231 HD11 ILE 30 3HD1 ILE 30 -4.691 7.749 12.854 232 HD12 ILE 30 1HD1 ILE 30 -3.871 8.174 14.356 233 HD13 ILE 30 2HD1 ILE 30 -4.431 6.519 14.095 234 H LYS 31 H LYS 31 0.458 3.888 13.563 235 HA LYS 31 HA LYS 31 1.828 3.913 16.017 236 HB2 LYS 31 2HB LYS 31 2.325 2.109 13.642 237 HB3 LYS 31 1HB LYS 31 2.825 1.789 15.294 238 HG2 LYS 31 2HG LYS 31 -0.016 2.000 14.324 239 HG3 LYS 31 1HG LYS 31 0.855 0.509 14.671 240 HD2 LYS 31 2HD LYS 31 1.076 1.169 17.015 241 HD3 LYS 31 1HD LYS 31 0.267 2.693 16.675 242 HE2 LYS 31 2HE LYS 31 -1.761 1.471 16.020 243 HE3 LYS 31 1HE LYS 31 -0.946 -0.048 16.362 244 HZ1 LYS 31 3HZ LYS 31 -2.363 0.659 18.212 245 HZ2 LYS 31 1HZ LYS 31 -1.459 2.077 18.381 246 HZ3 LYS 31 2HZ LYS 31 -0.749 0.591 18.662 247 H ASP 32 H ASP 32 2.875 4.540 12.745 248 HA ASP 32 HA ASP 32 5.658 4.764 13.261 249 HB2 ASP 32 2HB ASP 32 3.994 6.059 11.088 250 HB3 ASP 32 1HB ASP 32 5.751 5.998 11.116 251 H GLY 33 H GLY 33 2.957 6.934 13.468 252 HA2 GLY 33 2HA GLY 33 3.417 8.621 15.326 253 HA3 GLY 33 1HA GLY 33 4.714 9.148 14.276 254 H CYS 34 H CYS 34 2.754 8.388 12.007 255 HA CYS 34 HA CYS 34 1.958 11.032 11.560 256 HB2 CYS 34 2HB CYS 34 1.423 8.518 10.051 257 HB3 CYS 34 1HB CYS 34 0.736 10.063 9.559 258 H ARG 35 H ARG 35 -0.138 11.748 10.901 259 HA ARG 35 HA ARG 35 -2.123 11.242 12.939 260 HB2 ARG 35 2HB ARG 35 -3.326 13.089 11.899 261 HB3 ARG 35 1HB ARG 35 -1.637 13.520 12.109 262 HG2 ARG 35 2HG ARG 35 -1.230 12.947 9.731 263 HG3 ARG 35 1HG ARG 35 -2.952 12.644 9.541 264 HD2 ARG 35 2HD ARG 35 -2.361 14.856 8.731 265 HD3 ARG 35 1HD ARG 35 -3.414 14.976 10.142 266 HE ARG 35 HE ARG 35 -1.688 15.864 11.359 267 HH11 ARG 35 1HH1 ARG 35 -0.427 14.786 8.192 268 HH12 ARG 35 2HH1 ARG 35 1.066 15.549 8.383 269 HH21 ARG 35 1HH2 ARG 35 0.339 16.977 11.550 270 HH22 ARG 35 2HH2 ARG 35 1.489 16.871 10.285 271 H VAL 36 H VAL 36 -1.484 9.968 9.855 272 HA VAL 36 HA VAL 36 -4.200 8.948 9.686 273 HB VAL 36 HB VAL 36 -4.179 10.807 8.146 274 HG11 VAL 36 1HG1 VAL 36 -2.618 10.974 6.267 275 HG12 VAL 36 2HG1 VAL 36 -1.745 9.569 6.878 276 HG13 VAL 36 3HG1 VAL 36 -1.796 11.057 7.824 277 HG21 VAL 36 3HG2 VAL 36 -4.651 9.691 5.994 278 HG22 VAL 36 1HG2 VAL 36 -5.405 8.849 7.351 279 HG23 VAL 36 2HG2 VAL 36 -3.930 8.211 6.616 280 HA PRO 37 HA PRO 37 -1.847 5.285 8.717 281 HB2 PRO 37 2HB PRO 37 -3.857 3.516 9.160 282 HB3 PRO 37 1HB PRO 37 -2.935 4.236 10.481 283 HG2 PRO 37 2HG PRO 37 -5.695 4.804 9.591 284 HG3 PRO 37 1HG PRO 37 -4.955 5.022 11.184 285 HD2 PRO 37 2HD PRO 37 -5.433 7.012 9.210 286 HD3 PRO 37 1HD PRO 37 -4.559 7.196 10.743 287 H ALA 38 H ALA 38 -1.570 4.527 6.721 288 HA ALA 38 HA ALA 38 -3.722 3.997 4.934 289 HB1 ALA 38 1HB ALA 38 -1.907 6.333 4.353 290 HB2 ALA 38 2HB ALA 38 -3.632 6.421 4.703 291 HB3 ALA 38 3HB ALA 38 -3.072 5.630 3.230 292 H VAL 39 H VAL 39 -3.012 2.528 3.461 293 HA VAL 39 HA VAL 39 -0.139 2.076 3.453 294 HB VAL 39 HB VAL 39 -1.473 0.060 4.000 295 HG11 VAL 39 1HG1 VAL 39 -3.539 0.593 2.817 296 HG12 VAL 39 2HG1 VAL 39 -2.916 -1.014 2.448 297 HG13 VAL 39 3HG1 VAL 39 -2.707 0.288 1.272 298 HG21 VAL 39 3HG2 VAL 39 -0.572 -1.496 2.332 299 HG22 VAL 39 1HG2 VAL 39 0.619 -0.291 2.829 300 HG23 VAL 39 2HG2 VAL 39 -0.203 -0.130 1.278 301 H VAL 40 H VAL 40 1.031 2.660 1.745 302 HA VAL 40 HA VAL 40 -0.461 3.907 -0.336 303 HB VAL 40 HB VAL 40 1.564 4.827 -1.139 304 HG11 VAL 40 1HG1 VAL 40 2.353 6.131 0.797 305 HG12 VAL 40 2HG1 VAL 40 1.424 5.053 1.843 306 HG13 VAL 40 3HG1 VAL 40 0.601 6.042 0.644 307 HG21 VAL 40 3HG2 VAL 40 3.014 3.098 0.843 308 HG22 VAL 40 1HG2 VAL 40 3.777 4.414 -0.089 309 HG23 VAL 40 2HG2 VAL 40 3.047 3.042 -0.925 310 H PHE 41 H PHE 41 -0.914 3.048 -2.052 311 HA PHE 41 HA PHE 41 0.376 0.573 -2.842 312 HB2 PHE 41 2HB PHE 41 -2.175 1.881 -3.620 313 HB3 PHE 41 1HB PHE 41 -1.551 0.578 -4.603 314 HD1 PHE 41 2HD PHE 41 -0.539 -1.195 -2.324 315 HD2 PHE 41 1HD PHE 41 -4.175 0.980 -2.801 316 HE1 PHE 41 2HE PHE 41 -1.682 -2.807 -0.908 317 HE2 PHE 41 1HE PHE 41 -5.329 -0.615 -1.378 318 HZ PHE 41 HZ PHE 41 -4.075 -2.550 -0.418 319 H THR 42 H THR 42 1.989 0.718 -4.200 320 HA THR 42 HA THR 42 2.197 2.996 -5.982 321 HB THR 42 HB THR 42 3.993 0.581 -5.613 322 HG1 THR 42 1HG THR 42 3.671 2.392 -3.980 323 HG21 THR 42 3HG2 THR 42 5.673 1.892 -6.908 324 HG22 THR 42 1HG2 THR 42 4.452 3.125 -7.224 325 HG23 THR 42 2HG2 THR 42 4.249 1.496 -7.867 326 H THR 43 H THR 43 0.795 2.865 -7.605 327 HA THR 43 HA THR 43 -0.092 0.406 -8.713 328 HB THR 43 HB THR 43 -1.265 1.836 -10.366 329 HG1 THR 43 1HG THR 43 -1.068 4.091 -10.133 330 HG21 THR 43 3HG2 THR 43 -1.438 2.851 -7.532 331 HG22 THR 43 1HG2 THR 43 -2.256 1.419 -8.158 332 HG23 THR 43 2HG2 THR 43 -2.690 3.023 -8.766 333 H LEU 44 H LEU 44 0.086 -0.060 -11.159 334 HA LEU 44 HA LEU 44 2.729 -0.329 -11.928 335 HB2 LEU 44 2HB LEU 44 0.203 -0.350 -13.558 336 HB3 LEU 44 1HB LEU 44 1.768 -0.903 -14.104 337 HG LEU 44 HG LEU 44 0.114 -2.125 -11.890 338 HD11 LEU 44 1HD1 LEU 44 -0.804 -2.585 -14.087 339 HD12 LEU 44 2HD1 LEU 44 -0.102 -4.043 -13.391 340 HD13 LEU 44 3HD1 LEU 44 0.767 -3.159 -14.642 341 HD21 LEU 44 3HD2 LEU 44 2.495 -2.368 -11.403 342 HD22 LEU 44 1HD2 LEU 44 2.771 -3.019 -13.022 343 HD23 LEU 44 2HD2 LEU 44 1.795 -3.917 -11.862 344 H ARG 45 H ARG 45 0.468 2.178 -12.345 345 HA ARG 45 HA ARG 45 1.650 3.740 -14.380 346 HB2 ARG 45 2HB ARG 45 -0.612 4.147 -13.470 347 HB3 ARG 45 1HB ARG 45 0.099 4.640 -11.950 348 HG2 ARG 45 2HG ARG 45 -0.602 6.557 -13.221 349 HG3 ARG 45 1HG ARG 45 1.149 6.548 -13.047 350 HD2 ARG 45 2HD ARG 45 0.526 7.189 -15.309 351 HD3 ARG 45 1HD ARG 45 1.362 5.642 -15.326 352 HE ARG 45 HE ARG 45 -1.303 5.007 -15.212 353 HH11 ARG 45 1HH1 ARG 45 0.725 6.893 -17.415 354 HH12 ARG 45 2HH1 ARG 45 -0.237 6.566 -18.778 355 HH21 ARG 45 1HH2 ARG 45 -2.615 4.559 -17.138 356 HH22 ARG 45 2HH2 ARG 45 -2.142 5.235 -18.620 357 H GLY 46 H GLY 46 2.570 3.206 -11.061 358 HA2 GLY 46 2HA GLY 46 4.700 3.675 -10.215 359 HA3 GLY 46 1HA GLY 46 4.906 4.949 -11.404 360 H ARG 47 H ARG 47 1.916 4.855 -9.817 361 HA ARG 47 HA ARG 47 2.611 7.269 -8.321 362 HB2 ARG 47 2HB ARG 47 0.005 6.083 -9.189 363 HB3 ARG 47 1HB ARG 47 0.081 7.417 -8.066 364 HG2 ARG 47 2HG ARG 47 1.245 7.407 -10.807 365 HG3 ARG 47 1HG ARG 47 -0.362 8.072 -10.430 366 HD2 ARG 47 2HD ARG 47 0.818 9.631 -8.839 367 HD3 ARG 47 1HD ARG 47 2.348 9.020 -9.464 368 HE ARG 47 HE ARG 47 0.923 9.781 -11.660 369 HH11 ARG 47 1HH1 ARG 47 2.148 11.435 -8.780 370 HH12 ARG 47 2HH1 ARG 47 2.248 12.949 -9.523 371 HH21 ARG 47 1HH2 ARG 47 1.042 11.886 -12.675 372 HH22 ARG 47 2HH2 ARG 47 1.584 13.215 -11.774 373 H GLN 48 H GLN 48 2.488 7.357 -6.223 374 HA GLN 48 HA GLN 48 1.729 4.951 -4.723 375 HB2 GLN 48 2HB GLN 48 2.982 7.558 -3.737 376 HB3 GLN 48 1HB GLN 48 2.568 6.206 -2.721 377 HG2 GLN 48 2HG GLN 48 4.954 6.304 -3.097 378 HG3 GLN 48 1HG GLN 48 4.284 4.850 -3.823 379 HE21 GLN 48 1HE2 GLN 48 4.440 4.594 -6.005 380 HE22 GLN 48 2HE2 GLN 48 5.362 5.625 -7.035 381 H LEU 49 H LEU 49 -0.220 4.904 -3.686 382 HA LEU 49 HA LEU 49 -1.622 7.448 -3.376 383 HB2 LEU 49 2HB LEU 49 -2.307 6.420 -5.536 384 HB3 LEU 49 1HB LEU 49 -2.846 5.005 -4.661 385 HG LEU 49 HG LEU 49 -4.608 6.328 -3.558 386 HD11 LEU 49 1HD1 LEU 49 -3.551 8.622 -5.218 387 HD12 LEU 49 2HD1 LEU 49 -3.474 8.479 -3.461 388 HD13 LEU 49 3HD1 LEU 49 -5.034 8.635 -4.260 389 HD21 LEU 49 3HD2 LEU 49 -5.098 5.269 -5.710 390 HD22 LEU 49 1HD2 LEU 49 -4.558 6.721 -6.548 391 HD23 LEU 49 2HD2 LEU 49 -5.988 6.780 -5.519 392 H CYS 50 H CYS 50 -3.121 7.505 -1.682 393 HA CYS 50 HA CYS 50 -2.508 5.721 0.473 394 HB2 CYS 50 2HB CYS 50 -4.651 7.830 0.389 395 HB3 CYS 50 1HB CYS 50 -3.771 7.223 1.778 396 H ALA 51 H ALA 51 -3.708 3.858 0.939 397 HA ALA 51 HA ALA 51 -6.581 3.964 0.381 398 HB1 ALA 51 1HB ALA 51 -6.609 1.649 -0.261 399 HB2 ALA 51 2HB ALA 51 -4.854 1.477 0.013 400 HB3 ALA 51 3HB ALA 51 -5.497 2.514 -1.277 401 HA PRO 52 HA PRO 52 -6.996 3.060 4.628 402 HB2 PRO 52 2HB PRO 52 -9.357 1.836 4.837 403 HB3 PRO 52 1HB PRO 52 -9.236 3.494 4.231 404 HG2 PRO 52 2HG PRO 52 -9.481 0.936 2.669 405 HG3 PRO 52 1HG PRO 52 -10.398 2.425 2.449 406 HD2 PRO 52 2HD PRO 52 -8.261 1.704 0.977 407 HD3 PRO 52 1HD PRO 52 -8.668 3.402 1.240 408 HA PRO 53 HA PRO 53 -5.066 -1.072 4.805 409 HB2 PRO 53 2HB PRO 53 -3.858 -0.733 7.194 410 HB3 PRO 53 1HB PRO 53 -3.243 -0.030 5.694 411 HG2 PRO 53 2HG PRO 53 -4.913 1.244 7.830 412 HG3 PRO 53 1HG PRO 53 -3.460 1.874 7.028 413 HD2 PRO 53 2HD PRO 53 -5.902 2.673 6.273 414 HD3 PRO 53 1HD PRO 53 -4.600 2.402 5.099 415 H ASP 54 H ASP 54 -7.317 0.238 7.096 416 HA ASP 54 HA ASP 54 -7.467 -2.331 8.506 417 HB2 ASP 54 2HB ASP 54 -7.325 -0.234 9.850 418 HB3 ASP 54 1HB ASP 54 -8.838 0.291 9.136 419 H GLN 55 H GLN 55 -8.729 -1.179 5.790 420 HA GLN 55 HA GLN 55 -11.438 -2.070 6.332 421 HB2 GLN 55 2HB GLN 55 -10.309 -0.627 3.946 422 HB3 GLN 55 1HB GLN 55 -11.979 -1.161 4.066 423 HG2 GLN 55 2HG GLN 55 -10.614 0.749 5.928 424 HG3 GLN 55 1HG GLN 55 -11.755 1.210 4.656 425 HE21 GLN 55 1HE2 GLN 55 -13.931 0.641 4.951 426 HE22 GLN 55 2HE2 GLN 55 -14.578 0.314 6.509 427 HA PRO 56 HA PRO 56 -11.257 -6.145 4.898 428 HB2 PRO 56 2HB PRO 56 -13.529 -6.141 3.268 429 HB3 PRO 56 1HB PRO 56 -13.471 -6.494 4.996 430 HG2 PRO 56 2HG PRO 56 -14.132 -3.937 3.604 431 HG3 PRO 56 1HG PRO 56 -14.865 -4.646 5.055 432 HD2 PRO 56 2HD PRO 56 -13.176 -2.628 5.269 433 HD3 PRO 56 1HD PRO 56 -13.078 -3.984 6.413 434 H TRP 57 H TRP 57 -12.154 -3.907 2.260 435 HA TRP 57 HA TRP 57 -11.439 -5.733 0.244 436 HB2 TRP 57 2HB TRP 57 -11.776 -4.005 -1.369 437 HB3 TRP 57 1HB TRP 57 -12.941 -3.709 -0.091 438 HD1 TRP 57 HD1 TRP 57 -12.476 -1.420 1.458 439 HE1 TRP 57 1HE TRP 57 -11.131 0.675 0.905 440 HE3 TRP 57 3HE TRP 57 -9.818 -3.151 -2.561 441 HZ2 TRP 57 2HZ TRP 57 -9.148 1.508 -0.978 442 HZ3 TRP 57 3HZ TRP 57 -8.228 -1.614 -3.649 443 HH2 TRP 57 HH2 TRP 57 -7.923 0.639 -2.871 444 H VAL 58 H VAL 58 -9.562 -3.452 2.062 445 HA VAL 58 HA VAL 58 -7.287 -3.611 0.322 446 HB VAL 58 HB VAL 58 -7.640 -2.253 3.014 447 HG11 VAL 58 1HG1 VAL 58 -5.232 -2.241 1.192 448 HG12 VAL 58 2HG1 VAL 58 -5.320 -3.002 2.780 449 HG13 VAL 58 3HG1 VAL 58 -5.437 -1.244 2.635 450 HG21 VAL 58 3HG2 VAL 58 -7.248 -1.175 0.233 451 HG22 VAL 58 1HG2 VAL 58 -7.397 -0.216 1.695 452 HG23 VAL 58 2HG2 VAL 58 -8.755 -1.184 1.135 453 H GLU 59 H GLU 59 -8.174 -4.918 3.497 454 HA GLU 59 HA GLU 59 -5.634 -6.060 3.877 455 HB2 GLU 59 2HB GLU 59 -6.565 -7.285 5.770 456 HB3 GLU 59 1HB GLU 59 -7.106 -5.618 5.772 457 HG2 GLU 59 2HG GLU 59 -8.994 -6.811 6.435 458 HG3 GLU 59 1HG GLU 59 -9.256 -6.566 4.711 459 H ARG 60 H ARG 60 -8.320 -7.111 2.030 460 HA ARG 60 HA ARG 60 -7.437 -9.770 1.803 461 HB2 ARG 60 2HB ARG 60 -9.806 -9.003 1.567 462 HB3 ARG 60 1HB ARG 60 -9.358 -8.241 0.049 463 HG2 ARG 60 2HG ARG 60 -10.371 -10.339 -0.426 464 HG3 ARG 60 1HG ARG 60 -8.618 -10.373 -0.761 465 HD2 ARG 60 2HD ARG 60 -8.192 -11.514 1.357 466 HD3 ARG 60 1HD ARG 60 -9.905 -11.425 1.759 467 HE ARG 60 HE ARG 60 -9.621 -12.802 -0.640 468 HH11 ARG 60 1HH1 ARG 60 -8.961 -13.209 2.819 469 HH12 ARG 60 2HH1 ARG 60 -8.964 -14.910 2.772 470 HH21 ARG 60 1HH2 ARG 60 -9.604 -15.198 -0.695 471 HH22 ARG 60 2HH2 ARG 60 -9.327 -16.054 0.735 472 H ILE 61 H ILE 61 -6.838 -6.756 0.055 473 HA ILE 61 HA ILE 61 -5.474 -8.191 -2.053 474 HB ILE 61 HB ILE 61 -4.783 -5.866 -2.843 475 HG12 ILE 61 2HG1 ILE 61 -7.041 -5.126 -0.997 476 HG13 ILE 61 1HG1 ILE 61 -5.358 -4.664 -0.798 477 HG21 ILE 61 1HG2 ILE 61 -6.939 -5.578 -4.047 478 HG22 ILE 61 2HG2 ILE 61 -7.639 -6.810 -2.988 479 HG23 ILE 61 3HG2 ILE 61 -6.317 -7.212 -4.083 480 HD11 ILE 61 3HD1 ILE 61 -7.168 -3.817 -3.040 481 HD12 ILE 61 1HD1 ILE 61 -5.502 -3.301 -2.802 482 HD13 ILE 61 2HD1 ILE 61 -6.741 -2.844 -1.637 483 H ILE 62 H ILE 62 -4.530 -6.315 0.742 484 HA ILE 62 HA ILE 62 -1.842 -5.905 0.148 485 HB ILE 62 HB ILE 62 -3.004 -6.578 2.884 486 HG12 ILE 62 2HG1 ILE 62 -2.327 -3.913 1.621 487 HG13 ILE 62 1HG1 ILE 62 -3.949 -4.547 1.882 488 HG21 ILE 62 1HG2 ILE 62 -0.989 -5.529 3.826 489 HG22 ILE 62 2HG2 ILE 62 -0.318 -5.380 2.201 490 HG23 ILE 62 3HG2 ILE 62 -0.611 -6.977 2.900 491 HD11 ILE 62 3HD1 ILE 62 -3.593 -4.470 4.296 492 HD12 ILE 62 1HD1 ILE 62 -3.339 -2.886 3.567 493 HD13 ILE 62 2HD1 ILE 62 -1.955 -3.868 4.038 494 H GLN 63 H GLN 63 -3.366 -8.782 1.425 495 HA GLN 63 HA GLN 63 -1.055 -10.259 1.888 496 HB2 GLN 63 2HB GLN 63 -2.517 -12.239 1.598 497 HB3 GLN 63 1HB GLN 63 -2.995 -11.092 2.877 498 HG2 GLN 63 2HG GLN 63 -4.649 -10.211 1.227 499 HG3 GLN 63 1HG GLN 63 -4.190 -11.529 0.153 500 HE21 GLN 63 1HE2 GLN 63 -5.785 -10.665 3.089 501 HE22 GLN 63 2HE2 GLN 63 -6.564 -12.175 3.354 502 H ARG 64 H ARG 64 -2.874 -9.881 -1.030 503 HA ARG 64 HA ARG 64 -1.589 -11.740 -2.692 504 HB2 ARG 64 2HB ARG 64 -2.913 -9.114 -3.202 505 HB3 ARG 64 1HB ARG 64 -2.004 -9.862 -4.490 506 HG2 ARG 64 2HG ARG 64 -4.406 -10.299 -4.650 507 HG3 ARG 64 1HG ARG 64 -3.496 -11.788 -4.448 508 HD2 ARG 64 2HD ARG 64 -4.118 -11.839 -2.092 509 HD3 ARG 64 1HD ARG 64 -4.974 -10.308 -2.274 510 HE ARG 64 HE ARG 64 -6.290 -11.625 -4.042 511 HH11 ARG 64 1HH1 ARG 64 -5.085 -13.021 -1.005 512 HH12 ARG 64 2HH1 ARG 64 -6.343 -14.135 -0.840 513 HH21 ARG 64 1HH2 ARG 64 -7.982 -13.173 -3.855 514 HH22 ARG 64 2HH2 ARG 64 -8.061 -14.264 -2.569 515 H LEU 65 H LEU 65 -0.753 -8.419 -1.968 516 HA LEU 65 HA LEU 65 1.668 -8.381 -3.443 517 HB2 LEU 65 2HB LEU 65 0.641 -6.689 -1.167 518 HB3 LEU 65 1HB LEU 65 2.212 -6.438 -1.876 519 HG LEU 65 HG LEU 65 0.608 -4.817 -2.672 520 HD11 LEU 65 1HD1 LEU 65 1.042 -5.005 -5.052 521 HD12 LEU 65 2HD1 LEU 65 1.445 -6.720 -4.826 522 HD13 LEU 65 3HD1 LEU 65 2.424 -5.481 -4.062 523 HD21 LEU 65 3HD2 LEU 65 -1.271 -5.476 -4.139 524 HD22 LEU 65 1HD2 LEU 65 -1.446 -6.113 -2.508 525 HD23 LEU 65 2HD2 LEU 65 -0.908 -7.169 -3.809 526 H GLN 66 H GLN 66 0.888 -8.998 -0.072 527 HA GLN 66 HA GLN 66 3.474 -9.301 0.934 528 HB2 GLN 66 2HB GLN 66 0.915 -10.565 1.825 529 HB3 GLN 66 1HB GLN 66 2.417 -10.684 2.728 530 HG2 GLN 66 2HG GLN 66 2.424 -8.288 3.027 531 HG3 GLN 66 1HG GLN 66 0.953 -8.148 2.057 532 HE21 GLN 66 1HE2 GLN 66 2.294 -9.187 5.086 533 HE22 GLN 66 2HE2 GLN 66 0.784 -9.366 5.897 534 H ARG 67 H ARG 67 1.342 -11.732 -0.541 535 HA ARG 67 HA ARG 67 3.090 -13.811 0.103 536 HB2 ARG 67 2HB ARG 67 1.842 -15.264 -1.481 537 HB3 ARG 67 1HB ARG 67 0.847 -14.446 -0.299 538 HG2 ARG 67 2HG ARG 67 -0.322 -14.422 -2.232 539 HG3 ARG 67 1HG ARG 67 0.312 -12.781 -2.120 540 HD2 ARG 67 2HD ARG 67 2.161 -13.511 -3.669 541 HD3 ARG 67 1HD ARG 67 1.299 -15.028 -3.890 542 HE ARG 67 HE ARG 67 -0.270 -12.688 -4.383 543 HH11 ARG 67 1HH1 ARG 67 1.775 -15.168 -5.885 544 HH12 ARG 67 2HH1 ARG 67 1.306 -14.772 -7.478 545 HH21 ARG 67 1HH2 ARG 67 -0.889 -12.157 -6.602 546 HH22 ARG 67 2HH2 ARG 67 -0.199 -13.038 -7.879 547 H THR 68 H THR 68 3.243 -11.615 -2.573 548 HA THR 68 HA THR 68 5.341 -13.190 -3.775 549 HB THR 68 HB THR 68 5.653 -11.163 -5.208 550 HG1 THR 68 1HG THR 68 4.422 -9.727 -3.671 551 HG21 THR 68 3HG2 THR 68 2.946 -12.506 -5.250 552 HG22 THR 68 1HG2 THR 68 4.426 -13.109 -5.997 553 HG23 THR 68 2HG2 THR 68 3.670 -11.634 -6.601 554 H SER 69 H SER 69 5.057 -10.827 -1.419 555 HA SER 69 HA SER 69 7.829 -9.979 -1.515 556 HB2 SER 69 2HB SER 69 6.012 -8.375 -0.923 557 HB3 SER 69 1HB SER 69 5.622 -9.359 0.479 558 HG SER 69 HG SER 69 8.191 -8.826 0.706 559 H ALA 70 H ALA 70 6.029 -12.515 -0.235 560 HA ALA 70 HA ALA 70 7.409 -12.977 2.214 561 HB1 ALA 70 1HB ALA 70 6.206 -15.090 2.279 562 HB2 ALA 70 2HB ALA 70 5.720 -14.875 0.597 563 HB3 ALA 70 3HB ALA 70 5.123 -13.770 1.834 564 H LYS 71 H LYS 71 8.100 -13.659 -1.037 565 HA LYS 71 HA LYS 71 9.841 -15.868 -0.515 566 HB2 LYS 71 2HB LYS 71 8.748 -15.515 -2.724 567 HB3 LYS 71 1HB LYS 71 9.694 -14.051 -2.937 568 HG2 LYS 71 2HG LYS 71 11.739 -15.331 -2.993 569 HG3 LYS 71 1HG LYS 71 10.852 -16.817 -2.646 570 HD2 LYS 71 2HD LYS 71 9.596 -16.537 -4.738 571 HD3 LYS 71 1HD LYS 71 10.535 -15.088 -5.093 572 HE2 LYS 71 2HE LYS 71 12.573 -16.390 -5.184 573 HE3 LYS 71 1HE LYS 71 11.694 -17.845 -4.712 574 HZ1 LYS 71 3HZ LYS 71 10.406 -17.681 -6.718 575 HZ2 LYS 71 1HZ LYS 71 12.047 -17.755 -7.118 576 HZ3 LYS 71 2HZ LYS 71 11.224 -16.294 -7.197 577 H MET 72 H MET 72 12.037 -15.777 -0.227 578 HA MET 72 HA MET 72 12.926 -13.664 1.280 579 HB2 MET 72 2HB MET 72 15.204 -14.681 1.204 580 HB3 MET 72 1HB MET 72 13.910 -15.772 1.672 581 HG2 MET 72 2HG MET 72 13.944 -16.755 -0.509 582 HG3 MET 72 1HG MET 72 15.158 -15.598 -1.051 583 HE1 MET 72 3HE MET 72 15.947 -18.822 2.163 584 HE2 MET 72 1HE MET 72 14.394 -18.589 1.368 585 HE3 MET 72 2HE MET 72 15.002 -17.368 2.489 586 H LYS 73 H LYS 73 12.763 -11.798 0.480 587 HA LYS 73 HA LYS 73 14.825 -10.863 -1.407 588 HB2 LYS 73 2HB LYS 73 12.214 -9.548 -0.543 589 HB3 LYS 73 1HB LYS 73 13.372 -8.851 -1.657 590 HG2 LYS 73 2HG LYS 73 12.044 -11.468 -2.292 591 HG3 LYS 73 1HG LYS 73 11.183 -9.961 -2.550 592 HD2 LYS 73 2HD LYS 73 12.237 -10.737 -4.623 593 HD3 LYS 73 1HD LYS 73 12.947 -9.222 -4.089 594 HE2 LYS 73 2HE LYS 73 14.884 -10.400 -3.263 595 HE3 LYS 73 1HE LYS 73 14.159 -11.959 -3.674 596 HZ1 LYS 73 3HZ LYS 73 15.782 -11.180 -5.303 597 HZ2 LYS 73 1HZ LYS 73 14.843 -9.813 -5.628 598 HZ3 LYS 73 2HZ LYS 73 14.258 -11.341 -5.998 599 H ARG 74 H ARG 74 13.233 -10.649 1.665 600 HA ARG 74 HA ARG 74 15.522 -9.382 2.901 601 HB2 ARG 74 2HB ARG 74 14.227 -7.686 4.008 602 HB3 ARG 74 1HB ARG 74 13.846 -7.552 2.298 603 HG2 ARG 74 2HG ARG 74 11.756 -8.833 2.724 604 HG3 ARG 74 1HG ARG 74 12.142 -8.817 4.441 605 HD2 ARG 74 2HD ARG 74 12.197 -6.314 4.305 606 HD3 ARG 74 1HD ARG 74 11.577 -6.456 2.660 607 HE ARG 74 HE ARG 74 10.152 -7.484 5.016 608 HH11 ARG 74 1HH1 ARG 74 10.051 -5.800 1.897 609 HH12 ARG 74 2HH1 ARG 74 8.409 -5.374 2.016 610 HH21 ARG 74 1HH2 ARG 74 7.914 -6.900 5.187 611 HH22 ARG 74 2HH2 ARG 74 7.160 -6.018 3.935 612 H ARG 75 H ARG 75 14.868 -9.396 5.431 613 HA ARG 75 HA ARG 75 13.513 -11.956 5.920 614 HB2 ARG 75 2HB ARG 75 15.650 -10.554 7.536 615 HB3 ARG 75 1HB ARG 75 14.805 -12.003 8.053 616 HG2 ARG 75 2HG ARG 75 16.499 -11.829 5.562 617 HG3 ARG 75 1HG ARG 75 17.093 -12.391 7.121 618 HD2 ARG 75 2HD ARG 75 16.535 -14.300 5.714 619 HD3 ARG 75 1HD ARG 75 15.415 -14.213 7.065 620 HE ARG 75 HE ARG 75 14.342 -12.913 4.785 621 HH11 ARG 75 1HH1 ARG 75 15.061 -16.186 5.949 622 HH12 ARG 75 2HH1 ARG 75 13.757 -16.902 5.114 623 HH21 ARG 75 1HH2 ARG 75 12.567 -13.910 3.677 624 HH22 ARG 75 2HH2 ARG 75 12.329 -15.591 3.787 625 H SER 76 H SER 76 11.792 -12.005 7.188 626 HA SER 76 HA SER 76 10.683 -9.487 8.026 627 HB2 SER 76 2HB SER 76 9.307 -11.289 6.932 628 HB3 SER 76 1HB SER 76 9.604 -12.318 8.329 629 HG SER 76 HG SER 76 8.622 -10.448 9.539 630 H SER 77 H SER 77 11.622 -8.690 9.821 631 HA SER 77 HA SER 77 12.207 -10.536 12.002 632 HB2 SER 77 2HB SER 77 14.197 -9.485 10.929 633 HB3 SER 77 1HB SER 77 13.536 -7.899 11.306 634 HG SER 77 HG SER 77 14.679 -8.124 12.977 Start of MODEL 12 1 H1 GLY 1 1HT GLY 1 6.240 21.885 -3.142 2 H2 GLY 1 2HT GLY 1 5.359 22.351 -4.512 3 H3 GLY 1 3HT GLY 1 6.851 21.592 -4.689 4 HA2 GLY 1 1HA GLY 1 5.046 20.066 -5.135 5 HA3 GLY 1 2HA GLY 1 5.987 19.578 -3.730 6 H THR 2 H THR 2 2.955 19.566 -4.748 7 HA THR 2 HA THR 2 1.690 20.746 -2.440 8 HB THR 2 HB THR 2 -0.408 19.812 -3.483 9 HG1 THR 2 1HG THR 2 0.771 19.303 -5.906 10 HG21 THR 2 3HG2 THR 2 0.345 22.093 -4.004 11 HG22 THR 2 1HG2 THR 2 -0.413 21.345 -5.408 12 HG23 THR 2 2HG2 THR 2 1.344 21.468 -5.317 13 H ASN 3 H ASN 3 2.934 17.768 -3.438 14 HA ASN 3 HA ASN 3 2.294 16.503 -0.898 15 HB2 ASN 3 2HB ASN 3 0.581 15.859 -2.756 16 HB3 ASN 3 1HB ASN 3 1.922 15.057 -3.555 17 HD21 ASN 3 1HD2 ASN 3 -0.536 13.930 -2.601 18 HD22 ASN 3 2HD2 ASN 3 -0.110 12.734 -1.423 19 H ASP 4 H ASP 4 3.611 14.101 -1.499 20 HA ASP 4 HA ASP 4 5.535 13.045 -1.952 21 HB2 ASP 4 2HB ASP 4 5.475 13.974 -4.233 22 HB3 ASP 4 1HB ASP 4 6.296 15.423 -3.673 23 H ALA 5 H ALA 5 5.627 16.211 -0.752 24 HA ALA 5 HA ALA 5 8.240 16.061 0.451 25 HB1 ALA 5 1HB ALA 5 7.549 18.065 1.717 26 HB2 ALA 5 2HB ALA 5 5.893 17.834 1.156 27 HB3 ALA 5 3HB ALA 5 7.162 18.240 0.006 28 H GLU 6 H GLU 6 5.498 14.556 0.934 29 HA GLU 6 HA GLU 6 6.191 13.595 3.566 30 HB2 GLU 6 2HB GLU 6 3.742 13.614 4.141 31 HB3 GLU 6 1HB GLU 6 4.433 15.219 3.987 32 HG2 GLU 6 2HG GLU 6 3.520 15.273 1.637 33 HG3 GLU 6 1HG GLU 6 2.661 13.784 2.019 34 H ASP 7 H ASP 7 6.169 11.420 3.539 35 HA ASP 7 HA ASP 7 5.442 10.139 1.003 36 HB2 ASP 7 2HB ASP 7 6.752 8.254 1.673 37 HB3 ASP 7 1HB ASP 7 7.692 9.693 2.032 38 H CYS 8 H CYS 8 4.262 10.530 4.108 39 HA CYS 8 HA CYS 8 2.676 8.181 3.794 40 HB2 CYS 8 2HB CYS 8 1.639 8.709 5.998 41 HB3 CYS 8 1HB CYS 8 3.373 8.512 6.068 42 H CYS 9 H CYS 9 0.280 8.520 4.420 43 HA CYS 9 HA CYS 9 -0.706 9.399 2.012 44 HB2 CYS 9 2HB CYS 9 -2.152 8.617 4.507 45 HB3 CYS 9 1HB CYS 9 -2.859 8.834 2.890 46 H LEU 10 H LEU 10 -1.938 10.936 1.354 47 HA LEU 10 HA LEU 10 -2.128 13.331 2.966 48 HB2 LEU 10 2HB LEU 10 -1.453 13.343 0.500 49 HB3 LEU 10 1HB LEU 10 -3.062 12.802 0.112 50 HG LEU 10 HG LEU 10 -2.403 15.475 1.384 51 HD11 LEU 10 1HD1 LEU 10 -3.094 14.789 -1.465 52 HD12 LEU 10 2HD1 LEU 10 -1.524 15.335 -0.870 53 HD13 LEU 10 3HD1 LEU 10 -2.916 16.419 -0.816 54 HD21 LEU 10 3HD2 LEU 10 -4.685 16.089 0.819 55 HD22 LEU 10 1HD2 LEU 10 -4.680 14.685 1.880 56 HD23 LEU 10 2HD2 LEU 10 -4.983 14.484 0.152 57 H SER 11 H SER 11 -4.251 11.086 1.071 58 HA SER 11 HA SER 11 -6.158 10.893 3.137 59 HB2 SER 11 2HB SER 11 -6.907 12.478 0.646 60 HB3 SER 11 1HB SER 11 -8.068 11.865 1.816 61 HG SER 11 HG SER 11 -6.044 13.290 2.939 62 H VAL 12 H VAL 12 -8.127 9.601 2.125 63 HA VAL 12 HA VAL 12 -7.266 8.103 -0.209 64 HB VAL 12 HB VAL 12 -7.712 6.013 0.666 65 HG11 VAL 12 1HG1 VAL 12 -5.725 6.715 1.673 66 HG12 VAL 12 2HG1 VAL 12 -6.591 5.672 2.800 67 HG13 VAL 12 3HG1 VAL 12 -6.583 7.420 3.042 68 HG21 VAL 12 3HG2 VAL 12 -9.358 7.192 2.926 69 HG22 VAL 12 1HG2 VAL 12 -8.931 5.472 2.742 70 HG23 VAL 12 2HG2 VAL 12 -9.882 6.245 1.502 71 H THR 13 H THR 13 -9.205 7.210 -1.295 72 HA THR 13 HA THR 13 -11.606 8.750 -0.623 73 HB THR 13 HB THR 13 -10.831 9.132 -2.938 74 HG1 THR 13 1HG THR 13 -12.808 9.288 -3.368 75 HG21 THR 13 3HG2 THR 13 -9.657 7.035 -3.323 76 HG22 THR 13 1HG2 THR 13 -10.828 7.333 -4.609 77 HG23 THR 13 2HG2 THR 13 -11.189 6.167 -3.336 78 H GLN 14 H GLN 14 -13.702 7.296 -1.414 79 HA GLN 14 HA GLN 14 -14.075 5.401 0.546 80 HB2 GLN 14 2HB GLN 14 -15.418 5.553 -2.145 81 HB3 GLN 14 1HB GLN 14 -15.949 4.479 -0.862 82 HG2 GLN 14 2HG GLN 14 -15.872 7.484 -0.767 83 HG3 GLN 14 1HG GLN 14 -17.309 6.483 -0.956 84 HE21 GLN 14 1HE2 GLN 14 -18.034 5.269 0.829 85 HE22 GLN 14 2HE2 GLN 14 -17.557 5.663 2.435 86 H LYS 15 H LYS 15 -13.730 4.379 -2.863 87 HA LYS 15 HA LYS 15 -11.932 2.377 -1.813 88 HB2 LYS 15 2HB LYS 15 -14.131 1.317 -2.194 89 HB3 LYS 15 1HB LYS 15 -14.044 1.765 -3.891 90 HG2 LYS 15 2HG LYS 15 -12.078 0.399 -4.188 91 HG3 LYS 15 1HG LYS 15 -12.082 0.026 -2.464 92 HD2 LYS 15 2HD LYS 15 -14.318 -0.711 -4.388 93 HD3 LYS 15 1HD LYS 15 -13.049 -1.818 -3.866 94 HE2 LYS 15 2HE LYS 15 -13.798 -1.589 -1.537 95 HE3 LYS 15 1HE LYS 15 -15.047 -0.458 -2.041 96 HZ1 LYS 15 3HZ LYS 15 -15.925 -2.688 -1.709 97 HZ2 LYS 15 1HZ LYS 15 -14.899 -3.321 -2.878 98 HZ3 LYS 15 2HZ LYS 15 -16.095 -2.233 -3.310 99 HA PRO 16 HA PRO 16 -9.751 5.099 -4.722 100 HB2 PRO 16 2HB PRO 16 -7.308 3.890 -4.011 101 HB3 PRO 16 1HB PRO 16 -7.986 5.396 -3.402 102 HG2 PRO 16 2HG PRO 16 -8.118 2.663 -2.162 103 HG3 PRO 16 1HG PRO 16 -8.013 4.213 -1.401 104 HD2 PRO 16 2HD PRO 16 -10.232 2.926 -1.386 105 HD3 PRO 16 1HD PRO 16 -10.160 4.656 -1.635 106 H ILE 17 H ILE 17 -7.944 1.991 -4.690 107 HA ILE 17 HA ILE 17 -8.493 1.815 -7.546 108 HB ILE 17 HB ILE 17 -6.147 1.552 -8.158 109 HG12 ILE 17 2HG1 ILE 17 -5.183 0.750 -6.016 110 HG13 ILE 17 1HG1 ILE 17 -4.255 2.071 -6.694 111 HG21 ILE 17 1HG2 ILE 17 -6.648 4.175 -6.812 112 HG22 ILE 17 2HG2 ILE 17 -7.058 3.717 -8.465 113 HG23 ILE 17 3HG2 ILE 17 -5.368 3.859 -7.982 114 HD11 ILE 17 3HD1 ILE 17 -6.134 2.169 -4.331 115 HD12 ILE 17 1HD1 ILE 17 -5.363 3.589 -5.060 116 HD13 ILE 17 2HD1 ILE 17 -4.373 2.334 -4.346 117 HA PRO 18 HA PRO 18 -8.373 -2.579 -6.926 118 HB2 PRO 18 2HB PRO 18 -7.178 -3.373 -9.277 119 HB3 PRO 18 1HB PRO 18 -8.888 -2.950 -9.139 120 HG2 PRO 18 2HG PRO 18 -6.593 -1.308 -10.114 121 HG3 PRO 18 1HG PRO 18 -8.238 -1.424 -10.760 122 HD2 PRO 18 2HD PRO 18 -7.471 0.658 -9.270 123 HD3 PRO 18 1HD PRO 18 -9.105 -0.005 -9.160 124 H GLY 19 H GLY 19 -7.019 -3.927 -5.954 125 HA2 GLY 19 2HA GLY 19 -4.337 -3.076 -5.430 126 HA3 GLY 19 1HA GLY 19 -5.110 -4.490 -4.763 127 H TYR 20 H TYR 20 -5.523 -4.726 -8.023 128 HA TYR 20 HA TYR 20 -3.354 -6.537 -8.246 129 HB2 TYR 20 2HB TYR 20 -5.429 -7.219 -9.116 130 HB3 TYR 20 1HB TYR 20 -5.647 -5.740 -10.032 131 HD1 TYR 20 1HD TYR 20 -3.688 -8.836 -9.748 132 HD2 TYR 20 2HD TYR 20 -4.797 -5.592 -12.187 133 HE1 TYR 20 1HE TYR 20 -2.632 -9.973 -11.671 134 HE2 TYR 20 2HE TYR 20 -3.743 -6.692 -14.169 135 HH TYR 20 HH TYR 20 -2.072 -8.331 -14.621 136 H ILE 21 H ILE 21 -3.969 -3.199 -9.087 137 HA ILE 21 HA ILE 21 -1.866 -3.225 -11.110 138 HB ILE 21 HB ILE 21 -2.392 -0.889 -11.556 139 HG12 ILE 21 2HG1 ILE 21 -4.453 -1.105 -9.341 140 HG13 ILE 21 1HG1 ILE 21 -2.949 -0.202 -9.238 141 HG21 ILE 21 1HG2 ILE 21 -4.704 -1.164 -12.366 142 HG22 ILE 21 2HG2 ILE 21 -4.860 -2.608 -11.370 143 HG23 ILE 21 3HG2 ILE 21 -3.703 -2.577 -12.700 144 HD11 ILE 21 3HD1 ILE 21 -5.233 0.364 -11.118 145 HD12 ILE 21 1HD1 ILE 21 -3.722 1.266 -11.040 146 HD13 ILE 21 2HD1 ILE 21 -4.817 1.278 -9.666 147 H VAL 22 H VAL 22 -1.812 -3.172 -7.930 148 HA VAL 22 HA VAL 22 0.299 -1.178 -7.691 149 HB VAL 22 HB VAL 22 -1.310 -0.936 -5.938 150 HG11 VAL 22 1HG1 VAL 22 -2.362 -3.022 -5.986 151 HG12 VAL 22 2HG1 VAL 22 -1.783 -2.756 -4.336 152 HG13 VAL 22 3HG1 VAL 22 -0.923 -3.853 -5.439 153 HG21 VAL 22 3HG2 VAL 22 1.128 -2.320 -4.873 154 HG22 VAL 22 1HG2 VAL 22 0.036 -1.308 -3.930 155 HG23 VAL 22 2HG2 VAL 22 0.970 -0.608 -5.249 156 H ARG 23 H ARG 23 2.290 -1.495 -7.326 157 HA ARG 23 HA ARG 23 3.338 -4.144 -7.998 158 HB2 ARG 23 2HB ARG 23 4.033 -1.655 -8.868 159 HB3 ARG 23 1HB ARG 23 5.041 -1.761 -7.471 160 HG2 ARG 23 2HG ARG 23 5.128 -3.747 -9.735 161 HG3 ARG 23 1HG ARG 23 6.236 -2.403 -9.521 162 HD2 ARG 23 2HD ARG 23 6.960 -3.416 -7.373 163 HD3 ARG 23 1HD ARG 23 5.889 -4.779 -7.691 164 HE ARG 23 HE ARG 23 7.526 -4.448 -9.915 165 HH11 ARG 23 1HH1 ARG 23 7.834 -5.515 -6.540 166 HH12 ARG 23 2HH1 ARG 23 9.238 -6.411 -6.834 167 HH21 ARG 23 1HH2 ARG 23 9.436 -5.679 -10.286 168 HH22 ARG 23 2HH2 ARG 23 10.210 -6.485 -9.012 169 H ASN 24 H ASN 24 3.699 -1.612 -5.503 170 HA ASN 24 HA ASN 24 4.262 -3.612 -3.486 171 HB2 ASN 24 2HB ASN 24 6.183 -2.342 -2.572 172 HB3 ASN 24 1HB ASN 24 6.559 -2.914 -4.205 173 HD21 ASN 24 1HD2 ASN 24 6.913 -1.363 -5.770 174 HD22 ASN 24 2HD2 ASN 24 7.059 0.309 -5.390 175 H PHE 25 H PHE 25 3.982 -2.678 -1.335 176 HA PHE 25 HA PHE 25 2.460 -0.169 -1.442 177 HB2 PHE 25 2HB PHE 25 0.884 -1.024 0.160 178 HB3 PHE 25 1HB PHE 25 0.882 -2.107 -1.206 179 HD1 PHE 25 1HD PHE 25 2.144 -4.315 -1.007 180 HD2 PHE 25 2HD PHE 25 1.396 -1.801 2.343 181 HE1 PHE 25 1HE PHE 25 2.588 -6.197 0.508 182 HE2 PHE 25 2HE PHE 25 1.842 -3.684 3.857 183 HZ PHE 25 HZ PHE 25 2.439 -5.873 2.944 184 H HIS 26 H HIS 26 2.632 1.087 0.456 185 HA HIS 26 HA HIS 26 4.575 0.055 2.400 186 HB2 HIS 26 2HB HIS 26 4.296 3.022 1.677 187 HB3 HIS 26 1HB HIS 26 5.357 2.341 2.886 188 HD1 HIS 26 1HD HIS 26 6.117 3.976 0.138 189 HD2 HIS 26 2HD HIS 26 6.649 -0.054 0.989 190 HE1 HIS 26 1HE HIS 26 7.900 3.180 -1.424 191 HE2 HIS 26 2HE HIS 26 7.905 0.700 -1.113 192 H TYR 27 H TYR 27 3.617 -0.421 4.156 193 HA TYR 27 HA TYR 27 0.941 0.547 4.695 194 HB2 TYR 27 2HB TYR 27 1.861 -1.838 4.900 195 HB3 TYR 27 1HB TYR 27 2.630 -1.238 6.375 196 HD1 TYR 27 2HD TYR 27 -0.625 -1.239 4.688 197 HD2 TYR 27 1HD TYR 27 1.463 -1.485 8.353 198 HE1 TYR 27 2HE TYR 27 -2.709 -1.627 5.783 199 HE2 TYR 27 1HE TYR 27 -0.654 -1.899 9.534 200 HH TYR 27 HH TYR 27 -3.041 -1.533 9.223 201 H LEU 28 H LEU 28 0.937 2.565 5.532 202 HA LEU 28 HA LEU 28 2.965 3.139 7.537 203 HB2 LEU 28 2HB LEU 28 1.458 5.003 5.751 204 HB3 LEU 28 1HB LEU 28 2.607 5.497 6.971 205 HG LEU 28 HG LEU 28 3.202 3.906 4.482 206 HD11 LEU 28 1HD1 LEU 28 3.950 6.617 5.408 207 HD12 LEU 28 2HD1 LEU 28 2.808 6.228 4.122 208 HD13 LEU 28 3HD1 LEU 28 4.534 5.883 3.902 209 HD21 LEU 28 3HD2 LEU 28 5.554 4.064 5.154 210 HD22 LEU 28 1HD2 LEU 28 4.617 3.108 6.298 211 HD23 LEU 28 2HD2 LEU 28 5.068 4.769 6.694 212 H LEU 29 H LEU 29 2.462 3.997 9.369 213 HA LEU 29 HA LEU 29 -0.367 4.249 10.137 214 HB2 LEU 29 2HB LEU 29 1.579 2.406 11.516 215 HB3 LEU 29 1HB LEU 29 0.002 2.827 12.134 216 HG LEU 29 HG LEU 29 0.585 1.236 9.647 217 HD11 LEU 29 1HD1 LEU 29 -0.372 -0.618 10.962 218 HD12 LEU 29 2HD1 LEU 29 -0.495 0.458 12.351 219 HD13 LEU 29 3HD1 LEU 29 1.089 0.051 11.687 220 HD21 LEU 29 3HD2 LEU 29 -1.479 2.530 9.400 221 HD22 LEU 29 1HD2 LEU 29 -2.056 1.924 10.953 222 HD23 LEU 29 2HD2 LEU 29 -1.839 0.817 9.597 223 H ILE 30 H ILE 30 -0.403 4.824 12.625 224 HA ILE 30 HA ILE 30 1.406 7.013 13.013 225 HB ILE 30 HB ILE 30 -0.555 5.838 15.026 226 HG12 ILE 30 2HG1 ILE 30 -0.954 8.113 13.050 227 HG13 ILE 30 1HG1 ILE 30 -1.698 6.527 12.934 228 HG21 ILE 30 1HG2 ILE 30 1.191 7.256 15.974 229 HG22 ILE 30 2HG2 ILE 30 -0.367 8.091 16.058 230 HG23 ILE 30 3HG2 ILE 30 0.830 8.513 14.815 231 HD11 ILE 30 3HD1 ILE 30 -3.264 8.167 13.784 232 HD12 ILE 30 1HD1 ILE 30 -2.163 8.551 15.110 233 HD13 ILE 30 2HD1 ILE 30 -2.910 6.956 15.014 234 H LYS 31 H LYS 31 0.989 3.731 14.039 235 HA LYS 31 HA LYS 31 2.957 3.559 16.041 236 HB2 LYS 31 2HB LYS 31 2.089 1.467 14.040 237 HB3 LYS 31 1HB LYS 31 3.109 1.153 15.437 238 HG2 LYS 31 2HG LYS 31 1.311 1.808 16.925 239 HG3 LYS 31 1HG LYS 31 0.281 2.190 15.547 240 HD2 LYS 31 2HD LYS 31 -0.271 0.004 16.491 241 HD3 LYS 31 1HD LYS 31 0.358 -0.163 14.853 242 HE2 LYS 31 2HE LYS 31 2.540 -0.800 15.737 243 HE3 LYS 31 1HE LYS 31 1.955 -0.565 17.386 244 HZ1 LYS 31 3HZ LYS 31 0.864 -2.531 15.459 245 HZ2 LYS 31 1HZ LYS 31 0.412 -2.355 17.070 246 HZ3 LYS 31 2HZ LYS 31 1.966 -2.902 16.665 247 H ASP 32 H ASP 32 3.157 3.776 12.636 248 HA ASP 32 HA ASP 32 5.983 3.171 12.519 249 HB2 ASP 32 2HB ASP 32 4.478 2.654 10.594 250 HB3 ASP 32 1HB ASP 32 4.139 4.373 10.427 251 H GLY 33 H GLY 33 3.927 6.026 11.825 252 HA2 GLY 33 2HA GLY 33 4.644 7.817 13.519 253 HA3 GLY 33 1HA GLY 33 6.162 7.754 12.672 254 H CYS 34 H CYS 34 2.702 8.235 12.191 255 HA CYS 34 HA CYS 34 3.118 10.677 10.832 256 HB2 CYS 34 2HB CYS 34 3.398 9.129 8.903 257 HB3 CYS 34 1HB CYS 34 1.875 8.348 9.311 258 H ARG 35 H ARG 35 1.086 11.794 10.690 259 HA ARG 35 HA ARG 35 -0.615 11.105 12.892 260 HB2 ARG 35 2HB ARG 35 -0.776 13.300 10.853 261 HB3 ARG 35 1HB ARG 35 -1.864 13.154 12.218 262 HG2 ARG 35 2HG ARG 35 -0.014 13.419 13.754 263 HG3 ARG 35 1HG ARG 35 1.117 13.486 12.397 264 HD2 ARG 35 2HD ARG 35 0.571 15.727 13.220 265 HD3 ARG 35 1HD ARG 35 0.034 15.475 11.560 266 HE ARG 35 HE ARG 35 -1.871 15.041 13.707 267 HH11 ARG 35 1HH1 ARG 35 -0.703 17.165 11.111 268 HH12 ARG 35 2HH1 ARG 35 -2.150 18.048 11.000 269 HH21 ARG 35 1HH2 ARG 35 -3.866 16.275 13.528 270 HH22 ARG 35 2HH2 ARG 35 -3.972 17.548 12.374 271 H VAL 36 H VAL 36 -0.734 10.613 9.504 272 HA VAL 36 HA VAL 36 -3.474 9.681 9.758 273 HB VAL 36 HB VAL 36 -3.529 11.545 8.274 274 HG11 VAL 36 1HG1 VAL 36 -2.091 11.757 6.308 275 HG12 VAL 36 2HG1 VAL 36 -1.229 10.296 6.804 276 HG13 VAL 36 3HG1 VAL 36 -1.172 11.739 7.812 277 HG21 VAL 36 3HG2 VAL 36 -4.190 10.570 6.104 278 HG22 VAL 36 1HG2 VAL 36 -4.863 9.663 7.462 279 HG23 VAL 36 2HG2 VAL 36 -3.463 9.040 6.585 280 HA PRO 37 HA PRO 37 -1.448 5.821 8.806 281 HB2 PRO 37 2HB PRO 37 -3.268 4.232 9.982 282 HB3 PRO 37 1HB PRO 37 -2.104 5.166 10.929 283 HG2 PRO 37 2HG PRO 37 -4.997 5.665 10.467 284 HG3 PRO 37 1HG PRO 37 -4.013 6.005 11.897 285 HD2 PRO 37 2HD PRO 37 -4.763 7.847 9.914 286 HD3 PRO 37 1HD PRO 37 -3.516 8.089 11.154 287 H ALA 38 H ALA 38 -1.623 4.767 6.943 288 HA ALA 38 HA ALA 38 -3.897 3.609 5.914 289 HB1 ALA 38 1HB ALA 38 -3.103 6.147 4.463 290 HB2 ALA 38 2HB ALA 38 -4.610 5.899 5.346 291 HB3 ALA 38 3HB ALA 38 -4.273 4.954 3.892 292 H VAL 39 H VAL 39 -3.402 2.731 3.706 293 HA VAL 39 HA VAL 39 -0.533 2.233 3.627 294 HB VAL 39 HB VAL 39 -1.860 0.215 4.006 295 HG11 VAL 39 1HG1 VAL 39 -3.958 0.844 3.005 296 HG12 VAL 39 2HG1 VAL 39 -3.374 -0.686 2.346 297 HG13 VAL 39 3HG1 VAL 39 -3.220 0.794 1.396 298 HG21 VAL 39 3HG2 VAL 39 -1.049 -1.185 2.188 299 HG22 VAL 39 1HG2 VAL 39 0.182 -0.038 2.720 300 HG23 VAL 39 2HG2 VAL 39 -0.716 0.255 1.225 301 H VAL 40 H VAL 40 0.650 2.943 1.928 302 HA VAL 40 HA VAL 40 -0.839 4.218 -0.162 303 HB VAL 40 HB VAL 40 1.077 5.308 -0.806 304 HG11 VAL 40 1HG1 VAL 40 2.153 6.299 1.152 305 HG12 VAL 40 2HG1 VAL 40 1.372 5.071 2.151 306 HG13 VAL 40 3HG1 VAL 40 0.391 6.218 1.237 307 HG21 VAL 40 3HG2 VAL 40 2.763 3.269 0.600 308 HG22 VAL 40 1HG2 VAL 40 3.416 4.761 -0.104 309 HG23 VAL 40 2HG2 VAL 40 2.629 3.559 -1.136 310 H PHE 41 H PHE 41 -1.181 3.307 -2.036 311 HA PHE 41 HA PHE 41 0.178 0.825 -2.623 312 HB2 PHE 41 2HB PHE 41 -2.349 2.065 -3.616 313 HB3 PHE 41 1HB PHE 41 -1.625 0.766 -4.528 314 HD1 PHE 41 2HD PHE 41 -0.709 -0.999 -2.258 315 HD2 PHE 41 1HD PHE 41 -4.344 1.171 -2.786 316 HE1 PHE 41 2HE PHE 41 -1.869 -2.612 -0.858 317 HE2 PHE 41 1HE PHE 41 -5.507 -0.446 -1.376 318 HZ PHE 41 HZ PHE 41 -4.253 -2.372 -0.412 319 H THR 42 H THR 42 1.925 0.959 -3.738 320 HA THR 42 HA THR 42 2.491 3.142 -5.508 321 HB THR 42 HB THR 42 3.935 0.556 -4.914 322 HG1 THR 42 1HG THR 42 5.068 1.616 -3.494 323 HG21 THR 42 3HG2 THR 42 5.900 1.570 -5.906 324 HG22 THR 42 1HG2 THR 42 4.956 2.967 -6.453 325 HG23 THR 42 2HG2 THR 42 4.622 1.335 -7.089 326 H THR 43 H THR 43 1.247 3.111 -7.299 327 HA THR 43 HA THR 43 0.398 0.710 -8.590 328 HB THR 43 HB THR 43 -0.462 2.269 -10.360 329 HG1 THR 43 1HG THR 43 0.294 4.375 -8.633 330 HG21 THR 43 3HG2 THR 43 -1.141 3.017 -7.500 331 HG22 THR 43 1HG2 THR 43 -1.826 1.666 -8.389 332 HG23 THR 43 2HG2 THR 43 -2.157 3.320 -8.912 333 H LEU 44 H LEU 44 0.781 0.475 -11.082 334 HA LEU 44 HA LEU 44 3.415 -0.159 -11.528 335 HB2 LEU 44 2HB LEU 44 1.193 0.370 -13.461 336 HB3 LEU 44 1HB LEU 44 2.710 -0.395 -13.851 337 HG LEU 44 HG LEU 44 0.596 -1.486 -11.984 338 HD11 LEU 44 1HD1 LEU 44 -0.049 -1.610 -14.322 339 HD12 LEU 44 2HD1 LEU 44 0.293 -3.214 -13.672 340 HD13 LEU 44 3HD1 LEU 44 1.474 -2.415 -14.709 341 HD21 LEU 44 3HD2 LEU 44 2.817 -2.150 -11.221 342 HD22 LEU 44 1HD2 LEU 44 3.228 -2.705 -12.847 343 HD23 LEU 44 2HD2 LEU 44 1.971 -3.523 -11.920 344 H ARG 45 H ARG 45 1.751 2.824 -12.104 345 HA ARG 45 HA ARG 45 3.695 3.971 -13.876 346 HB2 ARG 45 2HB ARG 45 1.369 4.777 -13.752 347 HB3 ARG 45 1HB ARG 45 1.656 5.355 -12.117 348 HG2 ARG 45 2HG ARG 45 1.729 7.199 -13.668 349 HG3 ARG 45 1HG ARG 45 3.348 6.918 -13.031 350 HD2 ARG 45 2HD ARG 45 3.409 7.331 -15.438 351 HD3 ARG 45 1HD ARG 45 3.942 5.694 -15.064 352 HE ARG 45 HE ARG 45 1.149 5.895 -15.669 353 HH11 ARG 45 1HH1 ARG 45 4.381 5.506 -17.111 354 HH12 ARG 45 2HH1 ARG 45 3.797 4.776 -18.534 355 HH21 ARG 45 1HH2 ARG 45 0.378 4.876 -17.674 356 HH22 ARG 45 2HH2 ARG 45 1.517 4.426 -18.857 357 H GLY 46 H GLY 46 3.593 3.458 -10.485 358 HA2 GLY 46 2HA GLY 46 5.400 3.822 -9.038 359 HA3 GLY 46 1HA GLY 46 6.020 5.046 -10.148 360 H ARG 47 H ARG 47 2.691 5.203 -9.543 361 HA ARG 47 HA ARG 47 3.020 7.666 -7.998 362 HB2 ARG 47 2HB ARG 47 1.549 7.164 -10.222 363 HB3 ARG 47 1HB ARG 47 0.472 6.574 -8.963 364 HG2 ARG 47 2HG ARG 47 1.562 9.339 -9.021 365 HG3 ARG 47 1HG ARG 47 0.033 8.912 -9.779 366 HD2 ARG 47 2HD ARG 47 -0.760 8.176 -7.516 367 HD3 ARG 47 1HD ARG 47 0.742 8.805 -6.834 368 HE ARG 47 HE ARG 47 -0.575 10.733 -8.446 369 HH11 ARG 47 1HH1 ARG 47 -0.587 9.394 -5.157 370 HH12 ARG 47 2HH1 ARG 47 -1.426 10.710 -4.497 371 HH21 ARG 47 1HH2 ARG 47 -1.705 12.510 -7.526 372 HH22 ARG 47 2HH2 ARG 47 -2.078 12.541 -5.862 373 H GLN 48 H GLN 48 2.317 7.667 -5.924 374 HA GLN 48 HA GLN 48 1.374 5.123 -4.810 375 HB2 GLN 48 2HB GLN 48 2.520 7.542 -3.396 376 HB3 GLN 48 1HB GLN 48 2.123 6.002 -2.648 377 HG2 GLN 48 2HG GLN 48 3.825 4.894 -3.992 378 HG3 GLN 48 1HG GLN 48 4.221 6.426 -4.765 379 HE21 GLN 48 1HE2 GLN 48 5.913 4.672 -3.262 380 HE22 GLN 48 2HE2 GLN 48 6.531 5.600 -1.936 381 H LEU 49 H LEU 49 -0.622 4.970 -3.997 382 HA LEU 49 HA LEU 49 -2.133 7.443 -3.508 383 HB2 LEU 49 2HB LEU 49 -2.510 6.359 -5.844 384 HB3 LEU 49 1HB LEU 49 -3.305 5.078 -4.966 385 HG LEU 49 HG LEU 49 -4.937 6.610 -5.932 386 HD11 LEU 49 1HD1 LEU 49 -6.294 7.202 -4.051 387 HD12 LEU 49 2HD1 LEU 49 -4.941 6.870 -2.972 388 HD13 LEU 49 3HD1 LEU 49 -5.638 5.566 -3.932 389 HD21 LEU 49 3HD2 LEU 49 -3.601 8.621 -6.045 390 HD22 LEU 49 1HD2 LEU 49 -3.650 8.774 -4.289 391 HD23 LEU 49 2HD2 LEU 49 -5.131 8.936 -5.230 392 H CYS 50 H CYS 50 -3.557 7.194 -1.761 393 HA CYS 50 HA CYS 50 -2.936 4.797 -0.250 394 HB2 CYS 50 2HB CYS 50 -4.010 7.442 0.531 395 HB3 CYS 50 1HB CYS 50 -3.811 6.102 1.657 396 H ALA 51 H ALA 51 -4.345 3.544 0.806 397 HA ALA 51 HA ALA 51 -7.178 3.881 0.195 398 HB1 ALA 51 1HB ALA 51 -7.389 1.519 -0.216 399 HB2 ALA 51 2HB ALA 51 -5.659 1.258 0.079 400 HB3 ALA 51 3HB ALA 51 -6.208 2.217 -1.310 401 HA PRO 52 HA PRO 52 -7.784 3.250 4.466 402 HB2 PRO 52 2HB PRO 52 -10.154 2.032 4.681 403 HB3 PRO 52 1HB PRO 52 -10.020 3.646 3.970 404 HG2 PRO 52 2HG PRO 52 -10.237 0.985 2.597 405 HG3 PRO 52 1HG PRO 52 -11.118 2.452 2.197 406 HD2 PRO 52 2HD PRO 52 -8.930 1.515 0.967 407 HD3 PRO 52 1HD PRO 52 -9.333 3.229 0.932 408 HA PRO 53 HA PRO 53 -5.854 -0.859 5.004 409 HB2 PRO 53 2HB PRO 53 -4.742 -0.388 7.419 410 HB3 PRO 53 1HB PRO 53 -4.072 0.278 5.927 411 HG2 PRO 53 2HG PRO 53 -5.874 1.580 7.931 412 HG3 PRO 53 1HG PRO 53 -4.395 2.223 7.201 413 HD2 PRO 53 2HD PRO 53 -6.834 2.912 6.308 414 HD3 PRO 53 1HD PRO 53 -5.477 2.725 5.180 415 H ASP 54 H ASP 54 -8.193 0.654 7.051 416 HA ASP 54 HA ASP 54 -8.490 -1.692 8.736 417 HB2 ASP 54 2HB ASP 54 -8.641 0.604 9.723 418 HB3 ASP 54 1HB ASP 54 -10.066 0.897 8.745 419 H GLN 55 H GLN 55 -9.553 -0.698 5.756 420 HA GLN 55 HA GLN 55 -12.138 -1.949 6.030 421 HB2 GLN 55 2HB GLN 55 -10.882 -0.561 3.675 422 HB3 GLN 55 1HB GLN 55 -12.455 -1.338 3.626 423 HG2 GLN 55 2HG GLN 55 -11.689 0.961 5.409 424 HG3 GLN 55 1HG GLN 55 -12.655 1.087 3.940 425 HE21 GLN 55 1HE2 GLN 55 -14.765 0.176 3.968 426 HE22 GLN 55 2HE2 GLN 55 -15.585 -0.073 5.460 427 HA PRO 56 HA PRO 56 -10.959 -6.005 5.098 428 HB2 PRO 56 2HB PRO 56 -13.214 -6.720 3.680 429 HB3 PRO 56 1HB PRO 56 -13.032 -6.753 5.435 430 HG2 PRO 56 2HG PRO 56 -14.280 -4.676 3.693 431 HG3 PRO 56 1HG PRO 56 -14.824 -5.286 5.268 432 HD2 PRO 56 2HD PRO 56 -13.616 -2.950 5.060 433 HD3 PRO 56 1HD PRO 56 -13.243 -4.035 6.421 434 H TRP 57 H TRP 57 -12.198 -4.160 2.419 435 HA TRP 57 HA TRP 57 -11.431 -5.996 0.390 436 HB2 TRP 57 2HB TRP 57 -11.902 -4.335 -1.279 437 HB3 TRP 57 1HB TRP 57 -13.051 -4.057 0.015 438 HD1 TRP 57 HD1 TRP 57 -12.729 -1.684 1.438 439 HE1 TRP 57 1HE TRP 57 -11.503 0.431 0.852 440 HE3 TRP 57 3HE TRP 57 -9.896 -3.421 -2.473 441 HZ2 TRP 57 2HZ TRP 57 -9.525 1.301 -1.020 442 HZ3 TRP 57 3HZ TRP 57 -8.373 -1.844 -3.589 443 HH2 TRP 57 HH2 TRP 57 -8.210 0.455 -2.874 444 H VAL 58 H VAL 58 -9.621 -3.535 2.062 445 HA VAL 58 HA VAL 58 -7.411 -3.539 0.255 446 HB VAL 58 HB VAL 58 -7.738 -2.354 3.044 447 HG11 VAL 58 1HG1 VAL 58 -5.434 -2.021 1.129 448 HG12 VAL 58 2HG1 VAL 58 -5.381 -2.917 2.649 449 HG13 VAL 58 3HG1 VAL 58 -5.647 -1.173 2.662 450 HG21 VAL 58 3HG2 VAL 58 -7.565 -1.064 0.321 451 HG22 VAL 58 1HG2 VAL 58 -7.717 -0.217 1.839 452 HG23 VAL 58 2HG2 VAL 58 -9.021 -1.256 1.285 453 H GLU 59 H GLU 59 -8.245 -5.179 3.230 454 HA GLU 59 HA GLU 59 -5.766 -6.208 4.000 455 HB2 GLU 59 2HB GLU 59 -8.402 -7.632 4.148 456 HB3 GLU 59 1HB GLU 59 -6.987 -7.963 5.130 457 HG2 GLU 59 2HG GLU 59 -7.212 -5.704 6.107 458 HG3 GLU 59 1HG GLU 59 -8.699 -5.495 5.179 459 H ARG 60 H ARG 60 -8.161 -7.476 1.802 460 HA ARG 60 HA ARG 60 -7.012 -9.959 1.219 461 HB2 ARG 60 2HB ARG 60 -8.713 -8.191 -0.522 462 HB3 ARG 60 1HB ARG 60 -8.319 -9.859 -0.890 463 HG2 ARG 60 2HG ARG 60 -9.862 -8.943 1.538 464 HG3 ARG 60 1HG ARG 60 -10.576 -9.560 0.053 465 HD2 ARG 60 2HD ARG 60 -10.547 -11.375 1.581 466 HD3 ARG 60 1HD ARG 60 -9.258 -11.678 0.429 467 HE ARG 60 HE ARG 60 -8.744 -10.520 3.082 468 HH11 ARG 60 1HH1 ARG 60 -7.961 -12.903 0.577 469 HH12 ARG 60 2HH1 ARG 60 -6.824 -13.733 1.529 470 HH21 ARG 60 1HH2 ARG 60 -7.142 -11.716 4.397 471 HH22 ARG 60 2HH2 ARG 60 -6.351 -13.044 3.707 472 H ILE 61 H ILE 61 -6.697 -6.897 -0.525 473 HA ILE 61 HA ILE 61 -4.864 -8.021 -2.364 474 HB ILE 61 HB ILE 61 -4.426 -5.627 -3.035 475 HG12 ILE 61 2HG1 ILE 61 -6.787 -5.161 -1.206 476 HG13 ILE 61 1HG1 ILE 61 -5.157 -4.540 -0.982 477 HG21 ILE 61 1HG2 ILE 61 -6.669 -5.524 -4.243 478 HG22 ILE 61 2HG2 ILE 61 -7.212 -6.833 -3.201 479 HG23 ILE 61 3HG2 ILE 61 -5.890 -7.094 -4.331 480 HD11 ILE 61 3HD1 ILE 61 -7.039 -3.834 -3.218 481 HD12 ILE 61 1HD1 ILE 61 -5.412 -3.185 -2.992 482 HD13 ILE 61 2HD1 ILE 61 -6.673 -2.838 -1.812 483 H ILE 62 H ILE 62 -4.405 -6.216 0.594 484 HA ILE 62 HA ILE 62 -1.628 -5.888 0.362 485 HB ILE 62 HB ILE 62 -3.247 -6.396 2.888 486 HG12 ILE 62 2HG1 ILE 62 -2.201 -3.839 1.660 487 HG13 ILE 62 1HG1 ILE 62 -3.879 -4.347 1.739 488 HG21 ILE 62 1HG2 ILE 62 -1.327 -5.487 4.128 489 HG22 ILE 62 2HG2 ILE 62 -0.399 -5.421 2.631 490 HG23 ILE 62 3HG2 ILE 62 -0.920 -6.977 3.277 491 HD11 ILE 62 3HD1 ILE 62 -3.837 -4.188 4.176 492 HD12 ILE 62 1HD1 ILE 62 -3.386 -2.659 3.423 493 HD13 ILE 62 2HD1 ILE 62 -2.140 -3.697 4.113 494 H GLN 63 H GLN 63 -3.520 -8.598 1.619 495 HA GLN 63 HA GLN 63 -1.424 -10.325 2.283 496 HB2 GLN 63 2HB GLN 63 -4.190 -10.919 1.272 497 HB3 GLN 63 1HB GLN 63 -3.075 -12.167 1.810 498 HG2 GLN 63 2HG GLN 63 -4.046 -9.873 3.476 499 HG3 GLN 63 1HG GLN 63 -4.695 -11.516 3.492 500 HE21 GLN 63 1HE2 GLN 63 -1.991 -9.505 4.346 501 HE22 GLN 63 2HE2 GLN 63 -1.194 -10.628 5.355 502 H ARG 64 H ARG 64 -3.066 -9.848 -0.776 503 HA ARG 64 HA ARG 64 -1.802 -11.832 -2.207 504 HB2 ARG 64 2HB ARG 64 -2.846 -9.200 -3.171 505 HB3 ARG 64 1HB ARG 64 -2.401 -10.552 -4.202 506 HG2 ARG 64 2HG ARG 64 -4.081 -11.945 -3.090 507 HG3 ARG 64 1HG ARG 64 -4.547 -10.562 -2.098 508 HD2 ARG 64 2HD ARG 64 -4.968 -9.335 -4.161 509 HD3 ARG 64 1HD ARG 64 -4.716 -10.825 -5.067 510 HE ARG 64 HE ARG 64 -6.677 -11.052 -2.968 511 HH11 ARG 64 1HH1 ARG 64 -6.171 -10.368 -6.402 512 HH12 ARG 64 2HH1 ARG 64 -7.798 -10.618 -6.830 513 HH21 ARG 64 1HH2 ARG 64 -8.963 -11.376 -3.592 514 HH22 ARG 64 2HH2 ARG 64 -9.384 -11.191 -5.237 515 H LEU 65 H LEU 65 -0.743 -8.476 -1.589 516 HA LEU 65 HA LEU 65 1.634 -8.896 -3.115 517 HB2 LEU 65 2HB LEU 65 0.800 -6.662 -1.293 518 HB3 LEU 65 1HB LEU 65 2.344 -6.699 -2.121 519 HG LEU 65 HG LEU 65 -0.358 -6.641 -3.473 520 HD11 LEU 65 1HD1 LEU 65 0.128 -4.572 -2.384 521 HD12 LEU 65 2HD1 LEU 65 0.329 -4.341 -4.120 522 HD13 LEU 65 3HD1 LEU 65 1.748 -4.510 -3.103 523 HD21 LEU 65 3HD2 LEU 65 2.439 -6.481 -4.608 524 HD22 LEU 65 1HD2 LEU 65 0.953 -6.245 -5.519 525 HD23 LEU 65 2HD2 LEU 65 1.314 -7.820 -4.817 526 H GLN 66 H GLN 66 0.807 -9.142 0.302 527 HA GLN 66 HA GLN 66 3.518 -9.354 1.110 528 HB2 GLN 66 2HB GLN 66 1.046 -10.305 2.566 529 HB3 GLN 66 1HB GLN 66 2.665 -10.338 3.250 530 HG2 GLN 66 2HG GLN 66 2.776 -7.890 2.930 531 HG3 GLN 66 1HG GLN 66 1.081 -7.919 2.433 532 HE21 GLN 66 1HE2 GLN 66 3.306 -8.189 5.044 533 HE22 GLN 66 2HE2 GLN 66 2.154 -8.135 6.333 534 H ARG 67 H ARG 67 1.154 -11.802 0.231 535 HA ARG 67 HA ARG 67 2.762 -14.031 0.885 536 HB2 ARG 67 2HB ARG 67 1.296 -15.358 -0.541 537 HB3 ARG 67 1HB ARG 67 0.345 -14.219 0.398 538 HG2 ARG 67 2HG ARG 67 0.168 -12.762 -1.551 539 HG3 ARG 67 1HG ARG 67 1.116 -13.923 -2.487 540 HD2 ARG 67 2HD ARG 67 -0.595 -15.611 -2.125 541 HD3 ARG 67 1HD ARG 67 -1.541 -14.459 -1.181 542 HE ARG 67 HE ARG 67 -0.946 -13.481 -3.790 543 HH11 ARG 67 1HH1 ARG 67 -3.096 -15.677 -2.032 544 HH12 ARG 67 2HH1 ARG 67 -4.368 -15.540 -3.151 545 HH21 ARG 67 1HH2 ARG 67 -2.676 -13.332 -5.337 546 HH22 ARG 67 2HH2 ARG 67 -4.119 -14.212 -5.085 547 H THR 68 H THR 68 2.694 -11.962 -1.936 548 HA THR 68 HA THR 68 4.468 -13.671 -3.405 549 HB THR 68 HB THR 68 4.388 -11.844 -5.087 550 HG1 THR 68 1HG THR 68 2.116 -10.742 -3.959 551 HG21 THR 68 3HG2 THR 68 1.715 -12.935 -4.191 552 HG22 THR 68 1HG2 THR 68 2.881 -13.777 -5.204 553 HG23 THR 68 2HG2 THR 68 2.082 -12.320 -5.804 554 H SER 69 H SER 69 4.709 -11.149 -1.228 555 HA SER 69 HA SER 69 7.390 -10.404 -2.004 556 HB2 SER 69 2HB SER 69 5.826 -8.716 -1.052 557 HB3 SER 69 1HB SER 69 5.767 -9.636 0.443 558 HG SER 69 HG SER 69 8.134 -8.605 -0.685 559 H ALA 70 H ALA 70 5.764 -12.215 0.546 560 HA ALA 70 HA ALA 70 8.091 -12.924 1.995 561 HB1 ALA 70 1HB ALA 70 6.654 -14.555 3.119 562 HB2 ALA 70 2HB ALA 70 5.412 -14.322 1.887 563 HB3 ALA 70 3HB ALA 70 5.835 -13.001 2.974 564 H LYS 71 H LYS 71 6.181 -14.617 -0.470 565 HA LYS 71 HA LYS 71 8.490 -16.335 -0.856 566 HB2 LYS 71 2HB LYS 71 6.545 -17.614 -0.377 567 HB3 LYS 71 1HB LYS 71 5.600 -16.804 -1.632 568 HG2 LYS 71 2HG LYS 71 7.009 -17.814 -3.337 569 HG3 LYS 71 1HG LYS 71 8.013 -18.562 -2.091 570 HD2 LYS 71 2HD LYS 71 6.122 -19.888 -1.340 571 HD3 LYS 71 1HD LYS 71 5.074 -19.099 -2.514 572 HE2 LYS 71 2HE LYS 71 5.802 -21.310 -3.285 573 HE3 LYS 71 1HE LYS 71 6.390 -20.031 -4.337 574 HZ1 LYS 71 3HZ LYS 71 7.988 -21.403 -2.233 575 HZ2 LYS 71 1HZ LYS 71 8.563 -20.199 -3.270 576 HZ3 LYS 71 2HZ LYS 71 8.092 -21.687 -3.885 577 H MET 72 H MET 72 9.698 -15.391 -2.157 578 HA MET 72 HA MET 72 8.628 -13.601 -4.170 579 HB2 MET 72 2HB MET 72 10.958 -12.857 -4.515 580 HB3 MET 72 1HB MET 72 10.431 -12.714 -2.843 581 HG2 MET 72 2HG MET 72 11.646 -14.701 -2.289 582 HG3 MET 72 1HG MET 72 12.149 -14.915 -3.962 583 HE1 MET 72 3HE MET 72 14.694 -15.066 -3.280 584 HE2 MET 72 1HE MET 72 14.237 -14.933 -1.584 585 HE3 MET 72 2HE MET 72 15.507 -13.902 -2.237 586 H LYS 73 H LYS 73 8.543 -13.898 -6.256 587 HA LYS 73 HA LYS 73 10.390 -15.447 -7.701 588 HB2 LYS 73 2HB LYS 73 8.791 -17.043 -8.741 589 HB3 LYS 73 1HB LYS 73 9.037 -17.348 -7.034 590 HG2 LYS 73 2HG LYS 73 6.890 -16.468 -6.488 591 HG3 LYS 73 1HG LYS 73 6.676 -15.829 -8.117 592 HD2 LYS 73 2HD LYS 73 5.375 -17.874 -7.794 593 HD3 LYS 73 1HD LYS 73 6.620 -18.105 -9.014 594 HE2 LYS 73 2HE LYS 73 8.039 -19.193 -7.321 595 HE3 LYS 73 1HE LYS 73 6.753 -18.988 -6.135 596 HZ1 LYS 73 3HZ LYS 73 6.742 -21.207 -7.087 597 HZ2 LYS 73 1HZ LYS 73 6.560 -20.578 -8.640 598 HZ3 LYS 73 2HZ LYS 73 5.326 -20.388 -7.496 599 H ARG 74 H ARG 74 10.750 -14.128 -9.266 600 HA ARG 74 HA ARG 74 8.514 -12.663 -10.458 601 HB2 ARG 74 2HB ARG 74 11.498 -12.322 -10.808 602 HB3 ARG 74 1HB ARG 74 10.292 -11.343 -11.628 603 HG2 ARG 74 2HG ARG 74 9.482 -10.548 -9.454 604 HG3 ARG 74 1HG ARG 74 10.724 -11.505 -8.655 605 HD2 ARG 74 2HD ARG 74 11.210 -9.276 -10.628 606 HD3 ARG 74 1HD ARG 74 11.382 -9.165 -8.874 607 HE ARG 74 HE ARG 74 13.015 -11.201 -9.517 608 HH11 ARG 74 1HH1 ARG 74 12.749 -7.891 -10.785 609 HH12 ARG 74 2HH1 ARG 74 14.407 -7.800 -11.196 610 HH21 ARG 74 1HH2 ARG 74 15.273 -11.003 -10.073 611 HH22 ARG 74 2HH2 ARG 74 15.837 -9.545 -10.781 612 H ARG 75 H ARG 75 11.253 -14.664 -11.336 613 HA ARG 75 HA ARG 75 9.708 -15.566 -13.657 614 HB2 ARG 75 2HB ARG 75 12.716 -15.293 -13.473 615 HB3 ARG 75 1HB ARG 75 11.833 -15.959 -14.835 616 HG2 ARG 75 2HG ARG 75 10.774 -13.753 -15.184 617 HG3 ARG 75 1HG ARG 75 11.737 -13.114 -13.852 618 HD2 ARG 75 2HD ARG 75 13.779 -13.706 -15.036 619 HD3 ARG 75 1HD ARG 75 12.821 -14.358 -16.363 620 HE ARG 75 HE ARG 75 12.111 -11.681 -15.888 621 HH11 ARG 75 1HH1 ARG 75 14.700 -13.652 -17.255 622 HH12 ARG 75 2HH1 ARG 75 15.298 -12.440 -18.275 623 HH21 ARG 75 1HH2 ARG 75 12.886 -10.007 -17.308 624 HH22 ARG 75 2HH2 ARG 75 14.227 -10.287 -18.320 625 H SER 76 H SER 76 12.629 -16.493 -11.838 626 HA SER 76 HA SER 76 13.351 -18.391 -10.920 627 HB2 SER 76 2HB SER 76 10.395 -18.975 -10.599 628 HB3 SER 76 1HB SER 76 11.703 -19.806 -9.740 629 HG SER 76 HG SER 76 11.657 -17.034 -9.676 630 H SER 77 H SER 77 12.591 -18.194 -13.759 631 HA SER 77 HA SER 77 12.544 -21.008 -14.503 632 HB2 SER 77 2HB SER 77 10.739 -19.559 -15.479 633 HB3 SER 77 1HB SER 77 11.978 -18.494 -16.133 634 HG SER 77 HG SER 77 12.627 -20.078 -17.504 Start of MODEL 13 1 H1 GLY 1 1HT GLY 1 6.358 25.521 -1.970 2 H2 GLY 1 2HT GLY 1 7.861 25.894 -1.315 3 H3 GLY 1 3HT GLY 1 7.039 24.518 -0.791 4 HA2 GLY 1 1HA GLY 1 7.277 23.553 -2.976 5 HA3 GLY 1 2HA GLY 1 8.149 24.989 -3.492 6 H THR 2 H THR 2 8.195 22.156 -1.477 7 HA THR 2 HA THR 2 11.093 22.123 -1.555 8 HB THR 2 HB THR 2 10.996 21.159 0.823 9 HG1 THR 2 1HG THR 2 9.210 21.349 1.992 10 HG21 THR 2 3HG2 THR 2 10.962 23.383 1.920 11 HG22 THR 2 1HG2 THR 2 10.269 24.074 0.458 12 HG23 THR 2 2HG2 THR 2 11.898 23.399 0.427 13 H ASN 3 H ASN 3 11.908 19.954 -1.709 14 HA ASN 3 HA ASN 3 9.844 18.104 -2.541 15 HB2 ASN 3 2HB ASN 3 11.878 18.290 -3.961 16 HB3 ASN 3 1HB ASN 3 12.853 17.707 -2.617 17 HD21 ASN 3 1HD2 ASN 3 13.552 15.862 -3.724 18 HD22 ASN 3 2HD2 ASN 3 12.508 14.537 -4.061 19 H ASP 4 H ASP 4 8.947 17.939 -0.494 20 HA ASP 4 HA ASP 4 9.578 15.530 0.779 21 HB2 ASP 4 2HB ASP 4 11.360 16.953 1.874 22 HB3 ASP 4 1HB ASP 4 10.037 17.972 2.466 23 H ALA 5 H ALA 5 7.593 15.021 0.639 24 HA ALA 5 HA ALA 5 5.496 16.820 1.562 25 HB1 ALA 5 1HB ALA 5 5.180 15.758 -0.630 26 HB2 ALA 5 2HB ALA 5 3.931 15.252 0.510 27 HB3 ALA 5 3HB ALA 5 5.274 14.172 0.134 28 H GLU 6 H GLU 6 7.496 14.717 2.870 29 HA GLU 6 HA GLU 6 7.728 13.463 4.560 30 HB2 GLU 6 2HB GLU 6 4.914 14.137 5.477 31 HB3 GLU 6 1HB GLU 6 6.313 13.418 6.297 32 HG2 GLU 6 2HG GLU 6 7.549 15.470 6.175 33 HG3 GLU 6 1HG GLU 6 6.243 16.237 5.280 34 H ASP 7 H ASP 7 7.617 11.282 4.877 35 HA ASP 7 HA ASP 7 5.896 10.004 2.975 36 HB2 ASP 7 2HB ASP 7 8.258 9.212 3.156 37 HB3 ASP 7 1HB ASP 7 7.880 8.633 4.780 38 H CYS 8 H CYS 8 4.157 10.523 3.805 39 HA CYS 8 HA CYS 8 2.873 8.489 5.318 40 HB2 CYS 8 2HB CYS 8 1.749 10.076 6.845 41 HB3 CYS 8 1HB CYS 8 3.489 10.101 7.092 42 H CYS 9 H CYS 9 0.478 8.815 4.904 43 HA CYS 9 HA CYS 9 0.428 9.909 2.228 44 HB2 CYS 9 2HB CYS 9 -0.465 7.512 3.110 45 HB3 CYS 9 1HB CYS 9 -1.946 8.483 3.207 46 H LEU 10 H LEU 10 -2.137 10.566 1.802 47 HA LEU 10 HA LEU 10 -2.342 12.974 3.452 48 HB2 LEU 10 2HB LEU 10 -3.657 12.313 0.819 49 HB3 LEU 10 1HB LEU 10 -3.699 13.857 1.639 50 HG LEU 10 HG LEU 10 -1.265 12.553 0.429 51 HD11 LEU 10 1HD1 LEU 10 -2.850 14.962 -0.416 52 HD12 LEU 10 2HD1 LEU 10 -2.782 13.404 -1.240 53 HD13 LEU 10 3HD1 LEU 10 -1.340 14.413 -1.147 54 HD21 LEU 10 3HD2 LEU 10 -0.130 14.671 0.940 55 HD22 LEU 10 1HD2 LEU 10 -0.653 13.833 2.405 56 HD23 LEU 10 2HD2 LEU 10 -1.575 15.210 1.802 57 H SER 11 H SER 11 -4.614 10.747 1.812 58 HA SER 11 HA SER 11 -6.223 10.185 4.021 59 HB2 SER 11 2HB SER 11 -6.824 12.581 3.931 60 HB3 SER 11 1HB SER 11 -7.193 12.447 2.218 61 HG SER 11 HG SER 11 -8.591 11.458 4.447 62 H VAL 12 H VAL 12 -8.057 8.814 3.254 63 HA VAL 12 HA VAL 12 -7.433 8.000 0.540 64 HB VAL 12 HB VAL 12 -7.776 5.807 0.987 65 HG11 VAL 12 1HG1 VAL 12 -5.910 6.364 2.255 66 HG12 VAL 12 2HG1 VAL 12 -6.819 5.144 3.143 67 HG13 VAL 12 3HG1 VAL 12 -6.899 6.835 3.644 68 HG21 VAL 12 3HG2 VAL 12 -9.583 6.406 3.342 69 HG22 VAL 12 1HG2 VAL 12 -9.118 4.797 2.724 70 HG23 VAL 12 2HG2 VAL 12 -10.050 5.879 1.714 71 H THR 13 H THR 13 -9.242 7.116 -0.679 72 HA THR 13 HA THR 13 -11.703 8.620 -0.140 73 HB THR 13 HB THR 13 -10.627 9.273 -2.267 74 HG1 THR 13 1HG THR 13 -12.751 9.496 -2.489 75 HG21 THR 13 3HG2 THR 13 -9.513 7.151 -2.751 76 HG22 THR 13 1HG2 THR 13 -10.439 7.725 -4.136 77 HG23 THR 13 2HG2 THR 13 -11.072 6.425 -3.127 78 H GLN 14 H GLN 14 -13.631 7.380 -1.418 79 HA GLN 14 HA GLN 14 -14.509 5.236 0.038 80 HB2 GLN 14 2HB GLN 14 -15.858 6.470 -1.639 81 HB3 GLN 14 1HB GLN 14 -14.994 5.642 -2.924 82 HG2 GLN 14 2HG GLN 14 -15.875 3.499 -2.094 83 HG3 GLN 14 1HG GLN 14 -16.777 4.387 -0.862 84 HE21 GLN 14 1HE2 GLN 14 -18.524 5.650 -1.485 85 HE22 GLN 14 2HE2 GLN 14 -19.289 5.468 -3.023 86 H LYS 15 H LYS 15 -13.014 4.870 -3.207 87 HA LYS 15 HA LYS 15 -11.429 2.762 -2.099 88 HB2 LYS 15 2HB LYS 15 -13.395 1.611 -3.162 89 HB3 LYS 15 1HB LYS 15 -12.899 2.327 -4.702 90 HG2 LYS 15 2HG LYS 15 -10.717 1.241 -4.485 91 HG3 LYS 15 1HG LYS 15 -11.262 0.475 -3.005 92 HD2 LYS 15 2HD LYS 15 -11.443 -1.120 -4.816 93 HD3 LYS 15 1HD LYS 15 -13.075 -0.646 -4.332 94 HE2 LYS 15 2HE LYS 15 -13.192 0.898 -6.208 95 HE3 LYS 15 1HE LYS 15 -11.536 0.498 -6.657 96 HZ1 LYS 15 3HZ LYS 15 -13.880 -1.323 -6.720 97 HZ2 LYS 15 1HZ LYS 15 -12.290 -1.800 -7.056 98 HZ3 LYS 15 2HZ LYS 15 -13.050 -0.682 -8.030 99 HA PRO 16 HA PRO 16 -8.672 5.847 -4.066 100 HB2 PRO 16 2HB PRO 16 -6.590 3.921 -3.683 101 HB3 PRO 16 1HB PRO 16 -6.910 5.386 -2.779 102 HG2 PRO 16 2HG PRO 16 -7.726 2.598 -2.122 103 HG3 PRO 16 1HG PRO 16 -7.399 3.953 -1.088 104 HD2 PRO 16 2HD PRO 16 -9.792 3.127 -1.404 105 HD3 PRO 16 1HD PRO 16 -9.398 4.846 -1.347 106 H ILE 17 H ILE 17 -7.554 2.564 -4.777 107 HA ILE 17 HA ILE 17 -7.969 2.994 -7.609 108 HB ILE 17 HB ILE 17 -5.705 2.351 -8.220 109 HG12 ILE 17 2HG1 ILE 17 -5.079 0.919 -6.295 110 HG13 ILE 17 1HG1 ILE 17 -3.827 2.082 -6.670 111 HG21 ILE 17 1HG2 ILE 17 -5.632 4.698 -6.375 112 HG22 ILE 17 2HG2 ILE 17 -6.017 4.685 -8.091 113 HG23 ILE 17 3HG2 ILE 17 -4.382 4.295 -7.558 114 HD11 ILE 17 3HD1 ILE 17 -5.776 2.198 -4.370 115 HD12 ILE 17 1HD1 ILE 17 -4.583 3.451 -4.748 116 HD13 ILE 17 2HD1 ILE 17 -4.055 1.830 -4.302 117 HA PRO 18 HA PRO 18 -8.835 -1.328 -7.336 118 HB2 PRO 18 2HB PRO 18 -7.656 -2.257 -9.648 119 HB3 PRO 18 1HB PRO 18 -9.267 -1.537 -9.574 120 HG2 PRO 18 2HG PRO 18 -6.672 -0.299 -10.386 121 HG3 PRO 18 1HG PRO 18 -8.290 -0.053 -11.065 122 HD2 PRO 18 2HD PRO 18 -7.152 1.733 -9.429 123 HD3 PRO 18 1HD PRO 18 -8.894 1.431 -9.415 124 H GLY 19 H GLY 19 -7.833 -2.882 -6.270 125 HA2 GLY 19 2HA GLY 19 -5.117 -2.547 -5.465 126 HA3 GLY 19 1HA GLY 19 -6.208 -3.818 -4.965 127 H TYR 20 H TYR 20 -6.166 -3.892 -8.175 128 HA TYR 20 HA TYR 20 -4.185 -5.986 -8.145 129 HB2 TYR 20 2HB TYR 20 -6.355 -5.382 -10.144 130 HB3 TYR 20 1HB TYR 20 -5.166 -6.687 -10.261 131 HD1 TYR 20 1HD TYR 20 -5.238 -8.587 -8.776 132 HD2 TYR 20 2HD TYR 20 -8.160 -5.516 -8.538 133 HE1 TYR 20 1HE TYR 20 -6.648 -10.051 -7.401 134 HE2 TYR 20 2HE TYR 20 -9.579 -6.963 -7.159 135 HH TYR 20 HH TYR 20 -9.884 -9.370 -6.787 136 H ILE 21 H ILE 21 -4.220 -2.737 -8.932 137 HA ILE 21 HA ILE 21 -2.186 -3.132 -11.030 138 HB ILE 21 HB ILE 21 -2.339 -0.742 -11.536 139 HG12 ILE 21 2HG1 ILE 21 -4.488 -0.604 -9.398 140 HG13 ILE 21 1HG1 ILE 21 -2.862 0.042 -9.241 141 HG21 ILE 21 1HG2 ILE 21 -4.625 -0.667 -12.428 142 HG22 ILE 21 2HG2 ILE 21 -5.032 -2.069 -11.434 143 HG23 ILE 21 3HG2 ILE 21 -3.835 -2.220 -12.722 144 HD11 ILE 21 3HD1 ILE 21 -4.960 0.954 -11.201 145 HD12 ILE 21 1HD1 ILE 21 -3.322 1.601 -11.081 146 HD13 ILE 21 2HD1 ILE 21 -4.443 1.798 -9.740 147 H VAL 22 H VAL 22 -2.213 -3.125 -7.911 148 HA VAL 22 HA VAL 22 0.020 -1.306 -7.480 149 HB VAL 22 HB VAL 22 -1.721 -1.138 -5.827 150 HG11 VAL 22 1HG1 VAL 22 -2.778 -3.202 -5.991 151 HG12 VAL 22 2HG1 VAL 22 -2.246 -2.999 -4.330 152 HG13 VAL 22 3HG1 VAL 22 -1.359 -4.079 -5.443 153 HG21 VAL 22 3HG2 VAL 22 0.675 -2.552 -4.710 154 HG22 VAL 22 1HG2 VAL 22 -0.477 -1.574 -3.802 155 HG23 VAL 22 2HG2 VAL 22 0.532 -0.821 -5.031 156 H ARG 23 H ARG 23 1.969 -1.806 -6.803 157 HA ARG 23 HA ARG 23 2.882 -4.495 -7.566 158 HB2 ARG 23 2HB ARG 23 3.871 -1.957 -8.254 159 HB3 ARG 23 1HB ARG 23 4.748 -2.356 -6.829 160 HG2 ARG 23 2HG ARG 23 4.776 -4.180 -9.195 161 HG3 ARG 23 1HG ARG 23 5.940 -2.896 -8.932 162 HD2 ARG 23 2HD ARG 23 6.939 -4.914 -8.183 163 HD3 ARG 23 1HD ARG 23 6.516 -3.999 -6.759 164 HE ARG 23 HE ARG 23 4.765 -5.483 -6.292 165 HH11 ARG 23 1HH1 ARG 23 6.747 -6.585 -9.039 166 HH12 ARG 23 2HH1 ARG 23 6.206 -8.200 -8.905 167 HH21 ARG 23 1HH2 ARG 23 4.060 -7.690 -6.170 168 HH22 ARG 23 2HH2 ARG 23 4.682 -8.829 -7.292 169 H ASN 24 H ASN 24 3.462 -1.952 -5.105 170 HA ASN 24 HA ASN 24 3.928 -4.006 -3.052 171 HB2 ASN 24 2HB ASN 24 5.687 -1.567 -3.526 172 HB3 ASN 24 1HB ASN 24 5.793 -2.622 -2.129 173 HD21 ASN 24 1HD2 ASN 24 7.807 -1.934 -4.097 174 HD22 ASN 24 2HD2 ASN 24 8.330 -3.409 -4.807 175 H PHE 25 H PHE 25 3.827 -2.943 -0.820 176 HA PHE 25 HA PHE 25 2.243 -0.501 -0.821 177 HB2 PHE 25 2HB PHE 25 0.559 -1.466 0.597 178 HB3 PHE 25 1HB PHE 25 0.611 -2.355 -0.892 179 HD1 PHE 25 1HD PHE 25 1.783 -4.583 -0.988 180 HD2 PHE 25 2HD PHE 25 0.944 -2.624 2.693 181 HE1 PHE 25 1HE PHE 25 2.096 -6.695 0.193 182 HE2 PHE 25 2HE PHE 25 1.260 -4.748 3.894 183 HZ PHE 25 HZ PHE 25 1.836 -6.793 2.640 184 H HIS 26 H HIS 26 2.123 0.425 1.354 185 HA HIS 26 HA HIS 26 3.964 -0.757 3.302 186 HB2 HIS 26 2HB HIS 26 4.034 2.159 2.467 187 HB3 HIS 26 1HB HIS 26 4.796 1.534 3.913 188 HD1 HIS 26 1HD HIS 26 5.664 2.576 0.673 189 HD2 HIS 26 2HD HIS 26 6.712 -0.714 2.998 190 HE1 HIS 26 1HE HIS 26 7.768 1.734 -0.292 191 HE2 HIS 26 2HE HIS 26 8.492 -0.152 1.208 192 H TYR 27 H TYR 27 2.962 -1.006 5.159 193 HA TYR 27 HA TYR 27 0.508 0.340 5.689 194 HB2 TYR 27 2HB TYR 27 2.188 -1.545 7.303 195 HB3 TYR 27 1HB TYR 27 0.834 -0.698 8.027 196 HD1 TYR 27 2HD TYR 27 -1.314 -0.789 6.294 197 HD2 TYR 27 1HD TYR 27 1.731 -3.726 6.762 198 HE1 TYR 27 2HE TYR 27 -2.838 -2.443 5.513 199 HE2 TYR 27 1HE TYR 27 0.166 -5.449 5.962 200 HH TYR 27 HH TYR 27 -2.214 -5.779 5.852 201 H LEU 28 H LEU 28 0.821 2.509 5.913 202 HA LEU 28 HA LEU 28 2.813 3.300 7.836 203 HB2 LEU 28 2HB LEU 28 1.227 4.933 5.886 204 HB3 LEU 28 1HB LEU 28 2.297 5.608 7.096 205 HG LEU 28 HG LEU 28 3.109 3.850 4.782 206 HD11 LEU 28 1HD1 LEU 28 3.662 6.678 5.489 207 HD12 LEU 28 2HD1 LEU 28 2.523 6.166 4.236 208 HD13 LEU 28 3HD1 LEU 28 4.266 5.856 4.044 209 HD21 LEU 28 3HD2 LEU 28 4.764 5.079 6.992 210 HD22 LEU 28 1HD2 LEU 28 5.400 4.317 5.545 211 HD23 LEU 28 2HD2 LEU 28 4.510 3.351 6.716 212 H LEU 29 H LEU 29 2.386 4.178 9.564 213 HA LEU 29 HA LEU 29 -0.425 4.422 10.388 214 HB2 LEU 29 2HB LEU 29 1.862 3.279 11.998 215 HB3 LEU 29 1HB LEU 29 0.218 3.506 12.575 216 HG LEU 29 HG LEU 29 1.109 1.599 10.425 217 HD11 LEU 29 1HD1 LEU 29 0.529 -0.144 12.054 218 HD12 LEU 29 2HD1 LEU 29 0.179 1.102 13.247 219 HD13 LEU 29 3HD1 LEU 29 1.826 0.902 12.634 220 HD21 LEU 29 3HD2 LEU 29 -1.157 2.393 10.002 221 HD22 LEU 29 1HD2 LEU 29 -1.613 2.014 11.660 222 HD23 LEU 29 2HD2 LEU 29 -1.191 0.714 10.544 223 H ILE 30 H ILE 30 -0.216 5.595 12.708 224 HA ILE 30 HA ILE 30 0.853 8.142 12.085 225 HB ILE 30 HB ILE 30 0.028 7.082 14.817 226 HG12 ILE 30 2HG1 ILE 30 -1.514 8.739 12.796 227 HG13 ILE 30 1HG1 ILE 30 -1.782 7.032 13.118 228 HG21 ILE 30 1HG2 ILE 30 1.457 8.986 15.058 229 HG22 ILE 30 2HG2 ILE 30 -0.203 9.539 15.364 230 HG23 ILE 30 3HG2 ILE 30 0.592 9.843 13.803 231 HD11 ILE 30 3HD1 ILE 30 -3.451 8.422 14.207 232 HD12 ILE 30 1HD1 ILE 30 -2.180 9.285 15.075 233 HD13 ILE 30 2HD1 ILE 30 -2.462 7.574 15.401 234 H LYS 31 H LYS 31 2.020 5.469 13.967 235 HA LYS 31 HA LYS 31 4.327 6.573 15.108 236 HB2 LYS 31 2HB LYS 31 5.133 4.360 15.268 237 HB3 LYS 31 1HB LYS 31 3.516 4.560 15.893 238 HG2 LYS 31 2HG LYS 31 2.577 3.504 13.914 239 HG3 LYS 31 1HG LYS 31 4.205 3.306 13.235 240 HD2 LYS 31 2HD LYS 31 3.309 2.193 15.879 241 HD3 LYS 31 1HD LYS 31 3.326 1.284 14.366 242 HE2 LYS 31 2HE LYS 31 5.770 2.684 15.386 243 HE3 LYS 31 1HE LYS 31 5.372 1.105 15.945 244 HZ1 LYS 31 3HZ LYS 31 5.782 1.869 13.067 245 HZ2 LYS 31 1HZ LYS 31 5.506 0.317 13.636 246 HZ3 LYS 31 2HZ LYS 31 6.918 1.102 14.034 247 H ASP 32 H ASP 32 3.872 5.417 11.831 248 HA ASP 32 HA ASP 32 6.762 5.876 11.381 249 HB2 ASP 32 2HB ASP 32 4.860 4.142 9.788 250 HB3 ASP 32 1HB ASP 32 6.525 4.467 9.334 251 H GLY 33 H GLY 33 3.851 7.273 10.956 252 HA2 GLY 33 2HA GLY 33 4.587 8.506 8.386 253 HA3 GLY 33 1HA GLY 33 2.950 8.185 8.983 254 H CYS 34 H CYS 34 1.987 9.917 9.374 255 HA CYS 34 HA CYS 34 3.396 12.033 10.834 256 HB2 CYS 34 2HB CYS 34 1.289 12.377 8.694 257 HB3 CYS 34 1HB CYS 34 1.994 13.692 9.633 258 H ARG 35 H ARG 35 0.062 12.011 10.104 259 HA ARG 35 HA ARG 35 -0.553 11.073 12.816 260 HB2 ARG 35 2HB ARG 35 -0.413 13.602 12.779 261 HB3 ARG 35 1HB ARG 35 -1.748 13.593 11.644 262 HG2 ARG 35 2HG ARG 35 -3.178 12.542 13.331 263 HG3 ARG 35 1HG ARG 35 -1.830 12.545 14.466 264 HD2 ARG 35 2HD ARG 35 -3.130 14.972 13.234 265 HD3 ARG 35 1HD ARG 35 -3.316 14.413 14.896 266 HE ARG 35 HE ARG 35 -0.608 14.742 14.423 267 HH11 ARG 35 1HH1 ARG 35 -3.481 16.776 14.693 268 HH12 ARG 35 2HH1 ARG 35 -2.606 18.171 15.145 269 HH21 ARG 35 1HH2 ARG 35 0.568 16.612 15.045 270 HH22 ARG 35 2HH2 ARG 35 -0.259 18.074 15.364 271 H VAL 36 H VAL 36 -0.821 10.336 9.859 272 HA VAL 36 HA VAL 36 -3.610 9.546 10.043 273 HB VAL 36 HB VAL 36 -3.453 11.324 8.355 274 HG11 VAL 36 1HG1 VAL 36 -2.156 11.059 6.304 275 HG12 VAL 36 2HG1 VAL 36 -1.487 9.556 6.929 276 HG13 VAL 36 3HG1 VAL 36 -1.110 11.076 7.727 277 HG21 VAL 36 3HG2 VAL 36 -4.413 10.138 6.417 278 HG22 VAL 36 1HG2 VAL 36 -5.091 9.568 7.946 279 HG23 VAL 36 2HG2 VAL 36 -3.874 8.607 7.104 280 HA PRO 37 HA PRO 37 -1.590 5.654 9.225 281 HB2 PRO 37 2HB PRO 37 -3.439 4.072 10.357 282 HB3 PRO 37 1HB PRO 37 -2.343 5.046 11.327 283 HG2 PRO 37 2HG PRO 37 -5.222 5.495 10.761 284 HG3 PRO 37 1HG PRO 37 -4.278 5.912 12.195 285 HD2 PRO 37 2HD PRO 37 -4.978 7.639 10.054 286 HD3 PRO 37 1HD PRO 37 -3.858 7.984 11.391 287 H ALA 38 H ALA 38 -1.719 4.572 7.375 288 HA ALA 38 HA ALA 38 -4.081 3.729 6.114 289 HB1 ALA 38 1HB ALA 38 -2.709 6.120 4.855 290 HB2 ALA 38 2HB ALA 38 -4.324 6.109 5.552 291 HB3 ALA 38 3HB ALA 38 -3.984 5.162 4.105 292 H VAL 39 H VAL 39 -3.530 2.523 4.166 293 HA VAL 39 HA VAL 39 -0.688 1.929 4.136 294 HB VAL 39 HB VAL 39 -2.102 -0.042 4.529 295 HG11 VAL 39 1HG1 VAL 39 -4.136 0.614 3.447 296 HG12 VAL 39 2HG1 VAL 39 -3.563 -0.946 2.848 297 HG13 VAL 39 3HG1 VAL 39 -3.342 0.497 1.858 298 HG21 VAL 39 3HG2 VAL 39 -1.255 -1.515 2.751 299 HG22 VAL 39 1HG2 VAL 39 -0.024 -0.398 3.347 300 HG23 VAL 39 2HG2 VAL 39 -0.824 -0.088 1.806 301 H VAL 40 H VAL 40 0.514 2.576 2.497 302 HA VAL 40 HA VAL 40 -0.916 3.844 0.368 303 HB VAL 40 HB VAL 40 1.134 4.819 -0.308 304 HG11 VAL 40 1HG1 VAL 40 1.789 6.094 1.685 305 HG12 VAL 40 2HG1 VAL 40 0.900 4.921 2.664 306 HG13 VAL 40 3HG1 VAL 40 0.035 5.931 1.499 307 HG21 VAL 40 3HG2 VAL 40 2.517 3.136 1.756 308 HG22 VAL 40 1HG2 VAL 40 3.294 4.413 0.801 309 HG23 VAL 40 2HG2 VAL 40 2.641 2.980 -0.003 310 H PHE 41 H PHE 41 -1.167 3.009 -1.462 311 HA PHE 41 HA PHE 41 0.192 0.530 -2.058 312 HB2 PHE 41 2HB PHE 41 -2.272 1.782 -3.222 313 HB3 PHE 41 1HB PHE 41 -1.411 0.521 -4.081 314 HD1 PHE 41 2HD PHE 41 -0.686 -1.346 -1.978 315 HD2 PHE 41 1HD PHE 41 -4.278 0.879 -2.483 316 HE1 PHE 41 2HE PHE 41 -1.918 -3.105 -0.844 317 HE2 PHE 41 1HE PHE 41 -5.518 -0.882 -1.318 318 HZ PHE 41 HZ PHE 41 -4.324 -2.908 -0.514 319 H THR 42 H THR 42 1.772 0.407 -3.348 320 HA THR 42 HA THR 42 2.540 2.729 -4.927 321 HB THR 42 HB THR 42 3.936 0.111 -4.328 322 HG1 THR 42 1HG THR 42 3.508 2.080 -2.834 323 HG21 THR 42 3HG2 THR 42 5.967 1.225 -5.246 324 HG22 THR 42 1HG2 THR 42 4.968 2.590 -5.757 325 HG23 THR 42 2HG2 THR 42 4.708 0.984 -6.453 326 H THR 43 H THR 43 1.411 2.732 -6.799 327 HA THR 43 HA THR 43 0.422 0.384 -8.008 328 HB THR 43 HB THR 43 -0.256 1.883 -9.850 329 HG1 THR 43 1HG THR 43 0.169 4.068 -9.653 330 HG21 THR 43 3HG2 THR 43 -0.833 2.936 -7.074 331 HG22 THR 43 1HG2 THR 43 -1.688 1.624 -7.881 332 HG23 THR 43 2HG2 THR 43 -1.798 3.268 -8.513 333 H LEU 44 H LEU 44 0.860 0.049 -10.523 334 HA LEU 44 HA LEU 44 3.485 -0.777 -10.877 335 HB2 LEU 44 2HB LEU 44 1.339 -0.142 -12.899 336 HB3 LEU 44 1HB LEU 44 2.803 -1.038 -13.208 337 HG LEU 44 HG LEU 44 0.578 -1.911 -11.372 338 HD11 LEU 44 1HD1 LEU 44 -0.089 -1.996 -13.697 339 HD12 LEU 44 2HD1 LEU 44 0.143 -3.624 -13.062 340 HD13 LEU 44 3HD1 LEU 44 1.371 -2.894 -14.100 341 HD21 LEU 44 3HD2 LEU 44 2.728 -2.762 -10.604 342 HD22 LEU 44 1HD2 LEU 44 3.096 -3.345 -12.230 343 HD23 LEU 44 2HD2 LEU 44 1.774 -4.060 -11.317 344 H ARG 45 H ARG 45 1.856 2.150 -11.469 345 HA ARG 45 HA ARG 45 3.700 3.554 -13.090 346 HB2 ARG 45 2HB ARG 45 1.402 4.231 -12.803 347 HB3 ARG 45 1HB ARG 45 1.649 4.465 -11.086 348 HG2 ARG 45 2HG ARG 45 1.550 6.566 -12.219 349 HG3 ARG 45 1HG ARG 45 3.171 6.315 -11.575 350 HD2 ARG 45 2HD ARG 45 3.956 5.702 -13.796 351 HD3 ARG 45 1HD ARG 45 2.318 5.882 -14.439 352 HE ARG 45 HE ARG 45 3.041 8.225 -13.133 353 HH11 ARG 45 1HH1 ARG 45 3.948 6.443 -16.056 354 HH12 ARG 45 2HH1 ARG 45 4.368 7.824 -16.950 355 HH21 ARG 45 1HH2 ARG 45 3.631 10.163 -14.383 356 HH22 ARG 45 2HH2 ARG 45 4.185 9.977 -15.977 357 H GLY 46 H GLY 46 3.590 2.860 -9.652 358 HA2 GLY 46 2HA GLY 46 5.442 3.059 -8.191 359 HA3 GLY 46 1HA GLY 46 6.164 4.222 -9.296 360 H ARG 47 H ARG 47 2.868 4.653 -8.618 361 HA ARG 47 HA ARG 47 3.448 7.155 -7.241 362 HB2 ARG 47 2HB ARG 47 1.737 6.543 -9.263 363 HB3 ARG 47 1HB ARG 47 0.732 6.199 -7.860 364 HG2 ARG 47 2HG ARG 47 2.040 8.848 -8.383 365 HG3 ARG 47 1HG ARG 47 0.402 8.451 -8.867 366 HD2 ARG 47 2HD ARG 47 -0.202 8.149 -6.507 367 HD3 ARG 47 1HD ARG 47 1.452 8.541 -6.030 368 HE ARG 47 HE ARG 47 0.385 10.528 -7.704 369 HH11 ARG 47 1HH1 ARG 47 0.199 9.446 -4.327 370 HH12 ARG 47 2HH1 ARG 47 -0.195 10.984 -3.721 371 HH21 ARG 47 1HH2 ARG 47 -0.181 12.630 -6.845 372 HH22 ARG 47 2HH2 ARG 47 -0.442 12.816 -5.181 373 H GLN 48 H GLN 48 2.872 7.432 -5.118 374 HA GLN 48 HA GLN 48 1.981 5.105 -3.571 375 HB2 GLN 48 2HB GLN 48 2.848 7.868 -2.665 376 HB3 GLN 48 1HB GLN 48 2.500 6.514 -1.611 377 HG2 GLN 48 2HG GLN 48 4.392 5.308 -2.482 378 HG3 GLN 48 1HG GLN 48 4.735 6.593 -3.631 379 HE21 GLN 48 1HE2 GLN 48 4.915 5.583 -0.306 380 HE22 GLN 48 2HE2 GLN 48 5.870 6.870 0.284 381 H LEU 49 H LEU 49 -0.166 4.920 -3.133 382 HA LEU 49 HA LEU 49 -1.694 7.427 -3.029 383 HB2 LEU 49 2HB LEU 49 -1.855 5.916 -5.182 384 HB3 LEU 49 1HB LEU 49 -2.864 4.907 -4.175 385 HG LEU 49 HG LEU 49 -4.220 6.323 -5.604 386 HD11 LEU 49 1HD1 LEU 49 -5.685 7.367 -4.040 387 HD12 LEU 49 2HD1 LEU 49 -4.445 7.259 -2.792 388 HD13 LEU 49 3HD1 LEU 49 -5.136 5.785 -3.476 389 HD21 LEU 49 3HD2 LEU 49 -2.684 8.147 -5.974 390 HD22 LEU 49 1HD2 LEU 49 -2.861 8.668 -4.297 391 HD23 LEU 49 2HD2 LEU 49 -4.236 8.752 -5.397 392 H CYS 50 H CYS 50 -3.323 7.465 -1.483 393 HA CYS 50 HA CYS 50 -2.823 5.859 0.849 394 HB2 CYS 50 2HB CYS 50 -5.087 7.790 0.431 395 HB3 CYS 50 1HB CYS 50 -4.253 7.366 1.922 396 H ALA 51 H ALA 51 -3.982 3.942 1.398 397 HA ALA 51 HA ALA 51 -6.773 3.873 0.584 398 HB1 ALA 51 1HB ALA 51 -6.613 1.533 -0.040 399 HB2 ALA 51 2HB ALA 51 -4.869 1.514 0.304 400 HB3 ALA 51 3HB ALA 51 -5.544 2.510 -1.011 401 HA PRO 52 HA PRO 52 -7.424 2.831 4.742 402 HB2 PRO 52 2HB PRO 52 -9.774 1.565 4.752 403 HB3 PRO 52 1HB PRO 52 -9.645 3.236 4.189 404 HG2 PRO 52 2HG PRO 52 -9.806 0.707 2.599 405 HG3 PRO 52 1HG PRO 52 -10.630 2.229 2.279 406 HD2 PRO 52 2HD PRO 52 -8.331 1.347 1.080 407 HD3 PRO 52 1HD PRO 52 -8.797 3.048 1.123 408 HA PRO 53 HA PRO 53 -5.416 -1.229 4.907 409 HB2 PRO 53 2HB PRO 53 -4.499 -1.011 7.457 410 HB3 PRO 53 1HB PRO 53 -3.711 -0.253 6.070 411 HG2 PRO 53 2HG PRO 53 -5.581 0.945 8.070 412 HG3 PRO 53 1HG PRO 53 -4.086 1.620 7.395 413 HD2 PRO 53 2HD PRO 53 -6.528 2.361 6.517 414 HD3 PRO 53 1HD PRO 53 -5.129 2.270 5.429 415 H ASP 54 H ASP 54 -7.966 -0.105 6.940 416 HA ASP 54 HA ASP 54 -8.165 -2.719 8.226 417 HB2 ASP 54 2HB ASP 54 -9.721 -0.198 8.814 418 HB3 ASP 54 1HB ASP 54 -9.872 -1.710 9.694 419 H GLN 55 H GLN 55 -9.189 -1.594 5.394 420 HA GLN 55 HA GLN 55 -11.885 -2.624 5.692 421 HB2 GLN 55 2HB GLN 55 -10.655 -1.076 3.421 422 HB3 GLN 55 1HB GLN 55 -12.304 -1.687 3.421 423 HG2 GLN 55 2HG GLN 55 -11.163 0.282 5.392 424 HG3 GLN 55 1HG GLN 55 -12.228 0.680 4.040 425 HE21 GLN 55 1HE2 GLN 55 -14.391 0.075 4.183 426 HE22 GLN 55 2HE2 GLN 55 -15.135 -0.343 5.684 427 HA PRO 56 HA PRO 56 -11.284 -6.677 4.134 428 HB2 PRO 56 2HB PRO 56 -13.669 -6.006 2.478 429 HB3 PRO 56 1HB PRO 56 -13.356 -7.439 3.461 430 HG2 PRO 56 2HG PRO 56 -14.953 -5.526 4.347 431 HG3 PRO 56 1HG PRO 56 -13.825 -6.343 5.447 432 HD2 PRO 56 2HD PRO 56 -13.712 -3.597 4.311 433 HD3 PRO 56 1HD PRO 56 -13.096 -4.237 5.848 434 H TRP 57 H TRP 57 -12.143 -4.245 1.641 435 HA TRP 57 HA TRP 57 -11.318 -5.877 -0.504 436 HB2 TRP 57 2HB TRP 57 -11.611 -4.006 -1.960 437 HB3 TRP 57 1HB TRP 57 -12.822 -3.829 -0.709 438 HD1 TRP 57 HD1 TRP 57 -12.481 -1.664 1.017 439 HE1 TRP 57 1HE TRP 57 -11.149 0.456 0.734 440 HE3 TRP 57 3HE TRP 57 -9.524 -3.081 -2.926 441 HZ2 TRP 57 2HZ TRP 57 -9.067 1.442 -0.927 442 HZ3 TRP 57 3HZ TRP 57 -7.886 -1.461 -3.789 443 HH2 TRP 57 HH2 TRP 57 -7.668 0.735 -2.819 444 H VAL 58 H VAL 58 -9.545 -3.890 1.650 445 HA VAL 58 HA VAL 58 -7.191 -3.806 0.015 446 HB VAL 58 HB VAL 58 -7.721 -2.851 2.848 447 HG11 VAL 58 1HG1 VAL 58 -5.176 -2.558 1.237 448 HG12 VAL 58 2HG1 VAL 58 -5.372 -3.572 2.670 449 HG13 VAL 58 3HG1 VAL 58 -5.518 -1.821 2.801 450 HG21 VAL 58 3HG2 VAL 58 -7.172 -1.392 0.267 451 HG22 VAL 58 1HG2 VAL 58 -7.415 -0.639 1.837 452 HG23 VAL 58 2HG2 VAL 58 -8.729 -1.521 1.071 453 H GLU 59 H GLU 59 -8.144 -5.441 3.029 454 HA GLU 59 HA GLU 59 -5.691 -6.689 3.436 455 HB2 GLU 59 2HB GLU 59 -6.841 -8.208 5.007 456 HB3 GLU 59 1HB GLU 59 -7.266 -6.533 5.250 457 HG2 GLU 59 2HG GLU 59 -9.295 -7.646 5.544 458 HG3 GLU 59 1HG GLU 59 -9.364 -7.076 3.884 459 H ARG 60 H ARG 60 -8.184 -7.557 1.264 460 HA ARG 60 HA ARG 60 -7.435 -10.222 0.819 461 HB2 ARG 60 2HB ARG 60 -9.632 -9.083 0.371 462 HB3 ARG 60 1HB ARG 60 -8.870 -8.301 -0.991 463 HG2 ARG 60 2HG ARG 60 -10.149 -10.232 -1.710 464 HG3 ARG 60 1HG ARG 60 -8.392 -10.380 -1.968 465 HD2 ARG 60 2HD ARG 60 -9.605 -12.442 -1.018 466 HD3 ARG 60 1HD ARG 60 -8.125 -11.925 -0.216 467 HE ARG 60 HE ARG 60 -10.125 -10.617 1.114 468 HH11 ARG 60 1HH1 ARG 60 -9.512 -14.030 0.431 469 HH12 ARG 60 2HH1 ARG 60 -10.152 -14.547 1.931 470 HH21 ARG 60 1HH2 ARG 60 -10.938 -11.318 3.088 471 HH22 ARG 60 2HH2 ARG 60 -10.997 -12.980 3.480 472 H ILE 61 H ILE 61 -6.844 -7.166 -0.905 473 HA ILE 61 HA ILE 61 -5.160 -8.360 -2.871 474 HB ILE 61 HB ILE 61 -4.605 -5.924 -3.470 475 HG12 ILE 61 2HG1 ILE 61 -6.760 -5.452 -1.419 476 HG13 ILE 61 1HG1 ILE 61 -5.079 -4.961 -1.286 477 HG21 ILE 61 1HG2 ILE 61 -6.837 -5.579 -4.513 478 HG22 ILE 61 2HG2 ILE 61 -7.473 -6.885 -3.519 479 HG23 ILE 61 3HG2 ILE 61 -6.227 -7.211 -4.718 480 HD11 ILE 61 3HD1 ILE 61 -7.114 -3.945 -3.243 481 HD12 ILE 61 1HD1 ILE 61 -5.416 -3.449 -3.178 482 HD13 ILE 61 2HD1 ILE 61 -6.490 -3.108 -1.825 483 H ILE 62 H ILE 62 -4.629 -6.855 0.148 484 HA ILE 62 HA ILE 62 -1.857 -6.491 0.171 485 HB ILE 62 HB ILE 62 -3.577 -7.574 2.427 486 HG12 ILE 62 2HG1 ILE 62 -4.262 -5.323 1.782 487 HG13 ILE 62 1HG1 ILE 62 -3.471 -5.292 3.342 488 HG21 ILE 62 1HG2 ILE 62 -1.800 -6.909 3.968 489 HG22 ILE 62 2HG2 ILE 62 -0.772 -6.509 2.594 490 HG23 ILE 62 3HG2 ILE 62 -1.283 -8.178 2.857 491 HD11 ILE 62 3HD1 ILE 62 -2.840 -3.418 1.981 492 HD12 ILE 62 1HD1 ILE 62 -2.234 -4.495 0.725 493 HD13 ILE 62 2HD1 ILE 62 -1.440 -4.441 2.306 494 H GLN 63 H GLN 63 -3.639 -9.454 1.002 495 HA GLN 63 HA GLN 63 -1.494 -11.197 1.439 496 HB2 GLN 63 2HB GLN 63 -4.175 -11.827 0.194 497 HB3 GLN 63 1HB GLN 63 -3.066 -13.008 0.859 498 HG2 GLN 63 2HG GLN 63 -4.442 -10.829 2.414 499 HG3 GLN 63 1HG GLN 63 -4.955 -12.510 2.327 500 HE21 GLN 63 1HE2 GLN 63 -4.228 -10.951 4.634 501 HE22 GLN 63 2HE2 GLN 63 -2.910 -11.766 5.394 502 H ARG 64 H ARG 64 -3.086 -10.206 -1.482 503 HA ARG 64 HA ARG 64 -1.984 -12.101 -3.263 504 HB2 ARG 64 2HB ARG 64 -4.045 -10.470 -3.490 505 HB3 ARG 64 1HB ARG 64 -2.858 -9.333 -4.079 506 HG2 ARG 64 2HG ARG 64 -3.369 -12.028 -5.330 507 HG3 ARG 64 1HG ARG 64 -4.161 -10.550 -5.835 508 HD2 ARG 64 2HD ARG 64 -2.025 -9.618 -6.512 509 HD3 ARG 64 1HD ARG 64 -1.182 -11.043 -5.891 510 HE ARG 64 HE ARG 64 -2.857 -12.181 -7.571 511 HH11 ARG 64 1HH1 ARG 64 -0.914 -9.265 -8.173 512 HH12 ARG 64 2HH1 ARG 64 -0.679 -9.655 -9.817 513 HH21 ARG 64 1HH2 ARG 64 -2.517 -12.629 -9.825 514 HH22 ARG 64 2HH2 ARG 64 -1.582 -11.556 -10.764 515 H LEU 65 H LEU 65 -0.970 -8.854 -2.239 516 HA LEU 65 HA LEU 65 1.344 -8.835 -3.951 517 HB2 LEU 65 2HB LEU 65 0.616 -7.085 -1.616 518 HB3 LEU 65 1HB LEU 65 1.970 -6.817 -2.692 519 HG LEU 65 HG LEU 65 -0.946 -6.710 -3.438 520 HD11 LEU 65 1HD1 LEU 65 -0.236 -4.845 -2.099 521 HD12 LEU 65 2HD1 LEU 65 -0.447 -4.309 -3.778 522 HD13 LEU 65 3HD1 LEU 65 1.161 -4.585 -3.140 523 HD21 LEU 65 3HD2 LEU 65 1.526 -6.213 -5.091 524 HD22 LEU 65 1HD2 LEU 65 -0.127 -5.892 -5.602 525 HD23 LEU 65 2HD2 LEU 65 0.391 -7.547 -5.292 526 H GLN 66 H GLN 66 0.653 -9.569 -0.584 527 HA GLN 66 HA GLN 66 3.218 -9.636 0.426 528 HB2 GLN 66 2HB GLN 66 0.778 -11.141 1.241 529 HB3 GLN 66 1HB GLN 66 2.309 -11.315 2.094 530 HG2 GLN 66 2HG GLN 66 2.309 -8.937 2.505 531 HG3 GLN 66 1HG GLN 66 0.750 -8.784 1.701 532 HE21 GLN 66 1HE2 GLN 66 1.510 -8.240 4.497 533 HE22 GLN 66 2HE2 GLN 66 0.452 -9.205 5.455 534 H ARG 67 H ARG 67 1.816 -11.845 -1.690 535 HA ARG 67 HA ARG 67 3.317 -14.149 -1.085 536 HB2 ARG 67 2HB ARG 67 2.803 -14.985 -3.246 537 HB3 ARG 67 1HB ARG 67 1.440 -13.962 -2.825 538 HG2 ARG 67 2HG ARG 67 2.460 -12.163 -4.217 539 HG3 ARG 67 1HG ARG 67 3.699 -13.314 -4.711 540 HD2 ARG 67 2HD ARG 67 1.788 -14.812 -5.475 541 HD3 ARG 67 1HD ARG 67 0.743 -13.408 -5.261 542 HE ARG 67 HE ARG 67 2.571 -13.918 -7.375 543 HH11 ARG 67 1HH1 ARG 67 1.084 -11.212 -5.605 544 HH12 ARG 67 2HH1 ARG 67 1.232 -10.140 -6.926 545 HH21 ARG 67 1HH2 ARG 67 2.700 -12.454 -9.130 546 HH22 ARG 67 2HH2 ARG 67 2.166 -10.848 -8.989 547 H THR 68 H THR 68 4.216 -11.201 -2.772 548 HA THR 68 HA THR 68 6.802 -12.259 -3.507 549 HB THR 68 HB THR 68 7.285 -10.022 -4.423 550 HG1 THR 68 1HG THR 68 4.678 -9.377 -3.374 551 HG21 THR 68 3HG2 THR 68 4.655 -11.203 -5.317 552 HG22 THR 68 1HG2 THR 68 6.263 -11.698 -5.854 553 HG23 THR 68 2HG2 THR 68 5.649 -10.097 -6.263 554 H SER 69 H SER 69 5.436 -10.703 -0.900 555 HA SER 69 HA SER 69 7.924 -9.623 0.122 556 HB2 SER 69 2HB SER 69 5.804 -8.416 0.558 557 HB3 SER 69 1HB SER 69 5.172 -9.829 1.392 558 HG SER 69 HG SER 69 6.062 -9.112 3.090 559 H ALA 70 H ALA 70 6.179 -12.532 0.142 560 HA ALA 70 HA ALA 70 7.165 -13.632 2.573 561 HB1 ALA 70 1HB ALA 70 6.305 -15.753 1.722 562 HB2 ALA 70 2HB ALA 70 6.071 -15.026 0.131 563 HB3 ALA 70 3HB ALA 70 5.120 -14.462 1.505 564 H LYS 71 H LYS 71 8.328 -13.418 -0.704 565 HA LYS 71 HA LYS 71 10.378 -15.275 -0.102 566 HB2 LYS 71 2HB LYS 71 11.307 -14.854 -2.413 567 HB3 LYS 71 1HB LYS 71 9.670 -15.439 -2.384 568 HG2 LYS 71 2HG LYS 71 9.724 -13.851 -4.121 569 HG3 LYS 71 1HG LYS 71 8.973 -12.992 -2.784 570 HD2 LYS 71 2HD LYS 71 11.131 -11.926 -2.278 571 HD3 LYS 71 1HD LYS 71 11.871 -12.799 -3.617 572 HE2 LYS 71 2HE LYS 71 10.413 -11.644 -5.193 573 HE3 LYS 71 1HE LYS 71 9.609 -10.818 -3.858 574 HZ1 LYS 71 3HZ LYS 71 11.700 -9.736 -3.316 575 HZ2 LYS 71 1HZ LYS 71 11.267 -9.408 -4.905 576 HZ3 LYS 71 2HZ LYS 71 12.477 -10.534 -4.579 577 H MET 72 H MET 72 11.451 -14.698 1.487 578 HA MET 72 HA MET 72 13.562 -12.820 1.111 579 HB2 MET 72 2HB MET 72 13.094 -11.562 3.188 580 HB3 MET 72 1HB MET 72 11.792 -11.364 2.016 581 HG2 MET 72 2HG MET 72 10.477 -12.980 3.249 582 HG3 MET 72 1HG MET 72 11.764 -13.146 4.441 583 HE1 MET 72 3HE MET 72 12.572 -11.080 6.013 584 HE2 MET 72 1HE MET 72 11.802 -9.497 6.001 585 HE3 MET 72 2HE MET 72 12.742 -10.023 4.608 586 H LYS 73 H LYS 73 15.309 -13.454 2.305 587 HA LYS 73 HA LYS 73 15.025 -16.074 3.408 588 HB2 LYS 73 2HB LYS 73 17.509 -14.417 2.970 589 HB3 LYS 73 1HB LYS 73 17.514 -16.076 3.560 590 HG2 LYS 73 2HG LYS 73 16.458 -16.838 1.500 591 HG3 LYS 73 1HG LYS 73 16.400 -15.184 0.906 592 HD2 LYS 73 2HD LYS 73 18.919 -16.738 1.529 593 HD3 LYS 73 1HD LYS 73 18.238 -16.490 -0.077 594 HE2 LYS 73 2HE LYS 73 18.508 -14.048 0.215 595 HE3 LYS 73 1HE LYS 73 19.245 -14.349 1.787 596 HZ1 LYS 73 3HZ LYS 73 21.038 -15.540 0.687 597 HZ2 LYS 73 1HZ LYS 73 20.899 -13.983 0.068 598 HZ3 LYS 73 2HZ LYS 73 20.323 -15.282 -0.819 599 H ARG 74 H ARG 74 13.675 -15.293 4.962 600 HA ARG 74 HA ARG 74 14.897 -15.275 7.570 601 HB2 ARG 74 2HB ARG 74 14.785 -12.811 6.946 602 HB3 ARG 74 1HB ARG 74 13.058 -13.000 6.710 603 HG2 ARG 74 2HG ARG 74 12.794 -13.516 9.091 604 HG3 ARG 74 1HG ARG 74 14.533 -13.328 9.320 605 HD2 ARG 74 2HD ARG 74 12.643 -11.174 8.359 606 HD3 ARG 74 1HD ARG 74 13.270 -11.316 9.997 607 HE ARG 74 HE ARG 74 15.483 -11.241 8.360 608 HH11 ARG 74 1HH1 ARG 74 12.755 -9.039 8.973 609 HH12 ARG 74 2HH1 ARG 74 13.666 -7.634 8.720 610 HH21 ARG 74 1HH2 ARG 74 16.707 -9.296 7.987 611 HH22 ARG 74 2HH2 ARG 74 15.986 -7.776 8.140 612 H ARG 75 H ARG 75 13.183 -16.685 5.565 613 HA ARG 75 HA ARG 75 10.989 -17.477 7.225 614 HB2 ARG 75 2HB ARG 75 9.984 -15.621 6.003 615 HB3 ARG 75 1HB ARG 75 10.604 -16.239 4.485 616 HG2 ARG 75 2HG ARG 75 8.205 -16.656 4.707 617 HG3 ARG 75 1HG ARG 75 9.114 -18.164 4.639 618 HD2 ARG 75 2HD ARG 75 7.350 -18.250 6.327 619 HD3 ARG 75 1HD ARG 75 8.944 -18.385 7.063 620 HE ARG 75 HE ARG 75 8.097 -15.704 7.009 621 HH11 ARG 75 1HH1 ARG 75 7.420 -18.760 8.706 622 HH12 ARG 75 2HH1 ARG 75 6.948 -18.000 10.147 623 HH21 ARG 75 1HH2 ARG 75 7.414 -14.678 9.020 624 HH22 ARG 75 2HH2 ARG 75 6.926 -15.663 10.324 625 H SER 76 H SER 76 11.794 -19.494 7.280 626 HA SER 76 HA SER 76 12.253 -20.882 4.743 627 HB2 SER 76 2HB SER 76 14.007 -21.101 6.506 628 HB3 SER 76 1HB SER 76 12.799 -21.770 7.600 629 HG SER 76 HG SER 76 13.188 -23.621 6.748 630 H SER 77 H SER 77 10.396 -20.929 7.711 631 HA SER 77 HA SER 77 8.146 -22.055 6.439 632 HB2 SER 77 2HB SER 77 9.506 -24.105 7.036 633 HB3 SER 77 1HB SER 77 9.481 -23.588 8.716 634 HG SER 77 HG SER 77 7.844 -25.015 8.503 Start of MODEL 14 1 H1 GLY 1 1HT GLY 1 -0.817 22.932 2.472 2 H2 GLY 1 2HT GLY 1 -1.943 23.167 1.245 3 H3 GLY 1 3HT GLY 1 -1.767 24.326 2.467 4 HA2 GLY 1 1HA GLY 1 -0.699 25.052 0.431 5 HA3 GLY 1 2HA GLY 1 0.474 24.782 1.716 6 H THR 2 H THR 2 1.977 23.196 1.480 7 HA THR 2 HA THR 2 2.163 22.102 -1.182 8 HB THR 2 HB THR 2 4.163 23.180 -0.345 9 HG1 THR 2 1HG THR 2 5.625 21.360 -0.468 10 HG21 THR 2 3HG2 THR 2 5.423 22.310 1.593 11 HG22 THR 2 1HG2 THR 2 4.124 21.157 1.910 12 HG23 THR 2 2HG2 THR 2 3.829 22.890 2.069 13 H ASN 3 H ASN 3 1.979 19.998 -1.680 14 HA ASN 3 HA ASN 3 1.746 18.060 0.488 15 HB2 ASN 3 2HB ASN 3 -0.230 18.369 -1.782 16 HB3 ASN 3 1HB ASN 3 -0.179 16.981 -0.701 17 HD21 ASN 3 1HD2 ASN 3 -0.788 17.287 1.451 18 HD22 ASN 3 2HD2 ASN 3 -1.751 18.613 1.952 19 H ASP 4 H ASP 4 2.684 16.175 0.061 20 HA ASP 4 HA ASP 4 3.549 15.616 -2.671 21 HB2 ASP 4 2HB ASP 4 5.379 16.860 -1.477 22 HB3 ASP 4 1HB ASP 4 5.400 15.606 -0.255 23 H ALA 5 H ALA 5 4.390 13.277 -2.736 24 HA ALA 5 HA ALA 5 2.491 11.598 -1.487 25 HB1 ALA 5 1HB ALA 5 5.050 10.817 -2.877 26 HB2 ALA 5 2HB ALA 5 3.493 11.048 -3.666 27 HB3 ALA 5 3HB ALA 5 3.704 9.735 -2.508 28 H GLU 6 H GLU 6 5.641 12.443 -0.824 29 HA GLU 6 HA GLU 6 7.166 12.028 0.765 30 HB2 GLU 6 2HB GLU 6 4.748 12.234 2.571 31 HB3 GLU 6 1HB GLU 6 6.466 12.516 2.887 32 HG2 GLU 6 2HG GLU 6 6.493 14.360 1.293 33 HG3 GLU 6 1HG GLU 6 4.762 14.134 1.048 34 H ASP 7 H ASP 7 6.903 10.816 3.368 35 HA ASP 7 HA ASP 7 7.221 8.071 2.637 36 HB2 ASP 7 2HB ASP 7 7.568 9.548 5.231 37 HB3 ASP 7 1HB ASP 7 7.718 7.807 5.089 38 H CYS 8 H CYS 8 4.930 10.039 4.188 39 HA CYS 8 HA CYS 8 3.328 7.650 4.410 40 HB2 CYS 8 2HB CYS 8 2.217 8.462 6.475 41 HB3 CYS 8 1HB CYS 8 3.929 8.146 6.686 42 H CYS 9 H CYS 9 1.027 7.966 4.569 43 HA CYS 9 HA CYS 9 0.124 9.021 2.206 44 HB2 CYS 9 2HB CYS 9 -1.293 8.049 4.630 45 HB3 CYS 9 1HB CYS 9 -2.116 8.515 3.124 46 H LEU 10 H LEU 10 -1.205 10.567 1.597 47 HA LEU 10 HA LEU 10 -1.374 12.993 3.129 48 HB2 LEU 10 2HB LEU 10 -2.643 12.255 0.501 49 HB3 LEU 10 1HB LEU 10 -2.638 13.845 1.224 50 HG LEU 10 HG LEU 10 -0.070 13.628 1.077 51 HD11 LEU 10 1HD1 LEU 10 0.113 11.321 0.449 52 HD12 LEU 10 2HD1 LEU 10 0.729 12.357 -0.838 53 HD13 LEU 10 3HD1 LEU 10 -0.860 11.599 -0.996 54 HD21 LEU 10 3HD2 LEU 10 -0.127 14.636 -1.122 55 HD22 LEU 10 1HD2 LEU 10 -1.377 15.188 -0.005 56 HD23 LEU 10 2HD2 LEU 10 -1.811 14.067 -1.311 57 H SER 11 H SER 11 -3.752 10.890 1.447 58 HA SER 11 HA SER 11 -5.523 10.560 3.622 59 HB2 SER 11 2HB SER 11 -6.373 12.376 1.317 60 HB3 SER 11 1HB SER 11 -7.425 11.796 2.606 61 HG SER 11 HG SER 11 -5.580 12.863 3.903 62 H VAL 12 H VAL 12 -7.612 9.437 2.491 63 HA VAL 12 HA VAL 12 -6.755 8.267 -0.026 64 HB VAL 12 HB VAL 12 -7.252 6.079 0.536 65 HG11 VAL 12 1HG1 VAL 12 -5.241 6.665 1.612 66 HG12 VAL 12 2HG1 VAL 12 -6.091 5.471 2.596 67 HG13 VAL 12 3HG1 VAL 12 -6.095 7.174 3.068 68 HG21 VAL 12 3HG2 VAL 12 -8.780 6.933 3.018 69 HG22 VAL 12 1HG2 VAL 12 -8.460 5.265 2.472 70 HG23 VAL 12 2HG2 VAL 12 -9.430 6.321 1.481 71 H THR 13 H THR 13 -8.718 7.443 -1.223 72 HA THR 13 HA THR 13 -11.095 8.942 -0.454 73 HB THR 13 HB THR 13 -10.373 9.388 -2.754 74 HG1 THR 13 1HG THR 13 -12.359 9.508 -3.212 75 HG21 THR 13 3HG2 THR 13 -9.168 7.330 -3.218 76 HG22 THR 13 1HG2 THR 13 -10.362 7.637 -4.477 77 HG23 THR 13 2HG2 THR 13 -10.685 6.430 -3.235 78 H GLN 14 H GLN 14 -13.165 7.568 -1.339 79 HA GLN 14 HA GLN 14 -13.647 5.663 0.621 80 HB2 GLN 14 2HB GLN 14 -15.004 5.879 -2.073 81 HB3 GLN 14 1HB GLN 14 -15.638 5.019 -0.675 82 HG2 GLN 14 2HG GLN 14 -15.763 7.104 0.572 83 HG3 GLN 14 1HG GLN 14 -15.100 7.977 -0.806 84 HE21 GLN 14 1HE2 GLN 14 -17.874 6.377 0.497 85 HE22 GLN 14 2HE2 GLN 14 -18.993 6.925 -0.689 86 H LYS 15 H LYS 15 -13.200 4.894 -2.854 87 HA LYS 15 HA LYS 15 -11.574 2.703 -1.978 88 HB2 LYS 15 2HB LYS 15 -13.824 1.773 -2.330 89 HB3 LYS 15 1HB LYS 15 -13.784 2.307 -4.010 90 HG2 LYS 15 2HG LYS 15 -11.835 0.903 -4.399 91 HG3 LYS 15 1HG LYS 15 -11.880 0.395 -2.722 92 HD2 LYS 15 2HD LYS 15 -14.094 -0.134 -4.737 93 HD3 LYS 15 1HD LYS 15 -12.833 -1.280 -4.346 94 HE2 LYS 15 2HE LYS 15 -14.782 -1.937 -3.117 95 HE3 LYS 15 1HE LYS 15 -13.652 -1.258 -1.963 96 HZ1 LYS 15 3HZ LYS 15 -15.019 0.782 -1.899 97 HZ2 LYS 15 1HZ LYS 15 -15.919 -0.580 -1.574 98 HZ3 LYS 15 2HZ LYS 15 -16.052 0.143 -3.067 99 HA PRO 16 HA PRO 16 -9.382 5.432 -4.893 100 HB2 PRO 16 2HB PRO 16 -6.933 4.112 -4.277 101 HB3 PRO 16 1HB PRO 16 -7.565 5.609 -3.604 102 HG2 PRO 16 2HG PRO 16 -7.747 2.841 -2.470 103 HG3 PRO 16 1HG PRO 16 -7.551 4.365 -1.673 104 HD2 PRO 16 2HD PRO 16 -9.820 3.144 -1.624 105 HD3 PRO 16 1HD PRO 16 -9.706 4.884 -1.772 106 H ILE 17 H ILE 17 -7.792 2.200 -5.005 107 HA ILE 17 HA ILE 17 -8.555 2.027 -7.815 108 HB ILE 17 HB ILE 17 -6.305 1.588 -8.603 109 HG12 ILE 17 2HG1 ILE 17 -5.213 0.698 -6.571 110 HG13 ILE 17 1HG1 ILE 17 -4.251 1.966 -7.300 111 HG21 ILE 17 1HG2 ILE 17 -6.499 4.247 -7.281 112 HG22 ILE 17 2HG2 ILE 17 -7.008 3.796 -8.906 113 HG23 ILE 17 3HG2 ILE 17 -5.291 3.818 -8.491 114 HD11 ILE 17 3HD1 ILE 17 -5.959 2.188 -4.828 115 HD12 ILE 17 1HD1 ILE 17 -5.054 3.517 -5.557 116 HD13 ILE 17 2HD1 ILE 17 -4.196 2.129 -4.900 117 HA PRO 18 HA PRO 18 -8.607 -2.376 -7.049 118 HB2 PRO 18 2HB PRO 18 -7.005 -2.790 -9.512 119 HB3 PRO 18 1HB PRO 18 -8.604 -3.423 -9.105 120 HG2 PRO 18 2HG PRO 18 -8.320 -1.490 -10.915 121 HG3 PRO 18 1HG PRO 18 -9.689 -1.484 -9.784 122 HD2 PRO 18 2HD PRO 18 -7.164 0.104 -9.736 123 HD3 PRO 18 1HD PRO 18 -8.822 0.622 -9.363 124 H GLY 19 H GLY 19 -7.341 -3.537 -5.759 125 HA2 GLY 19 2HA GLY 19 -4.652 -2.733 -5.266 126 HA3 GLY 19 1HA GLY 19 -5.504 -4.030 -4.461 127 H TYR 20 H TYR 20 -5.722 -4.595 -7.697 128 HA TYR 20 HA TYR 20 -3.489 -6.402 -7.502 129 HB2 TYR 20 2HB TYR 20 -5.849 -6.378 -9.378 130 HB3 TYR 20 1HB TYR 20 -4.543 -7.571 -9.382 131 HD1 TYR 20 1HD TYR 20 -4.283 -9.131 -7.501 132 HD2 TYR 20 2HD TYR 20 -7.578 -6.449 -7.712 133 HE1 TYR 20 1HE TYR 20 -5.450 -10.434 -5.772 134 HE2 TYR 20 2HE TYR 20 -8.744 -7.733 -5.986 135 HH TYR 20 HH TYR 20 -7.153 -10.116 -4.138 136 H ILE 21 H ILE 21 -3.961 -3.347 -8.606 137 HA ILE 21 HA ILE 21 -2.098 -3.736 -10.855 138 HB ILE 21 HB ILE 21 -2.668 -1.501 -11.650 139 HG12 ILE 21 2HG1 ILE 21 -4.563 -1.316 -9.285 140 HG13 ILE 21 1HG1 ILE 21 -3.049 -0.442 -9.432 141 HG21 ILE 21 1HG2 ILE 21 -5.044 -1.850 -12.223 142 HG22 ILE 21 2HG2 ILE 21 -5.124 -3.127 -11.011 143 HG23 ILE 21 3HG2 ILE 21 -4.073 -3.312 -12.416 144 HD11 ILE 21 3HD1 ILE 21 -5.462 -0.132 -11.201 145 HD12 ILE 21 1HD1 ILE 21 -3.935 0.731 -11.396 146 HD13 ILE 21 2HD1 ILE 21 -4.913 0.992 -9.954 147 H VAL 22 H VAL 22 -1.835 -3.415 -7.786 148 HA VAL 22 HA VAL 22 0.199 -1.317 -7.791 149 HB VAL 22 HB VAL 22 -1.334 -0.974 -5.992 150 HG11 VAL 22 1HG1 VAL 22 -2.349 -3.085 -5.795 151 HG12 VAL 22 2HG1 VAL 22 -1.687 -2.655 -4.227 152 HG13 VAL 22 3HG1 VAL 22 -0.866 -3.847 -5.272 153 HG21 VAL 22 3HG2 VAL 22 1.176 -2.214 -4.906 154 HG22 VAL 22 1HG2 VAL 22 0.089 -1.140 -4.024 155 HG23 VAL 22 2HG2 VAL 22 0.970 -0.544 -5.428 156 H ARG 23 H ARG 23 2.233 -1.544 -7.467 157 HA ARG 23 HA ARG 23 3.321 -4.221 -7.920 158 HB2 ARG 23 2HB ARG 23 3.949 -1.867 -9.132 159 HB3 ARG 23 1HB ARG 23 4.946 -1.725 -7.732 160 HG2 ARG 23 2HG ARG 23 5.142 -4.055 -9.623 161 HG3 ARG 23 1HG ARG 23 6.170 -2.631 -9.684 162 HD2 ARG 23 2HD ARG 23 7.021 -3.134 -7.463 163 HD3 ARG 23 1HD ARG 23 5.928 -4.506 -7.333 164 HE ARG 23 HE ARG 23 7.244 -5.248 -9.445 165 HH11 ARG 23 1HH1 ARG 23 8.588 -3.649 -6.571 166 HH12 ARG 23 2HH1 ARG 23 10.091 -4.442 -6.639 167 HH21 ARG 23 1HH2 ARG 23 9.320 -6.363 -9.532 168 HH22 ARG 23 2HH2 ARG 23 10.529 -6.029 -8.387 169 H ASN 24 H ASN 24 3.976 -1.397 -5.812 170 HA ASN 24 HA ASN 24 4.758 -3.211 -3.649 171 HB2 ASN 24 2HB ASN 24 6.192 -0.707 -4.523 172 HB3 ASN 24 1HB ASN 24 6.398 -1.393 -2.927 173 HD21 ASN 24 1HD2 ASN 24 7.479 -3.364 -2.748 174 HD22 ASN 24 2HD2 ASN 24 8.528 -3.941 -3.989 175 H PHE 25 H PHE 25 4.512 -2.245 -1.542 176 HA PHE 25 HA PHE 25 2.787 0.085 -1.535 177 HB2 PHE 25 2HB PHE 25 1.180 -0.933 -0.126 178 HB3 PHE 25 1HB PHE 25 1.316 -1.949 -1.520 179 HD1 PHE 25 1HD PHE 25 2.969 -4.002 -1.318 180 HD2 PHE 25 2HD PHE 25 1.339 -1.927 2.020 181 HE1 PHE 25 1HE PHE 25 3.438 -5.939 0.117 182 HE2 PHE 25 2HE PHE 25 1.813 -3.856 3.458 183 HZ PHE 25 HZ PHE 25 2.859 -5.868 2.510 184 H HIS 26 H HIS 26 2.840 1.166 0.428 185 HA HIS 26 HA HIS 26 4.796 0.173 2.376 186 HB2 HIS 26 2HB HIS 26 4.346 3.109 1.649 187 HB3 HIS 26 1HB HIS 26 5.371 2.532 2.943 188 HD1 HIS 26 1HD HIS 26 6.238 4.215 0.287 189 HD2 HIS 26 2HD HIS 26 6.916 0.189 1.089 190 HE1 HIS 26 1HE HIS 26 8.206 3.565 -1.119 191 HE2 HIS 26 2HE HIS 26 8.385 1.053 -0.804 192 H TYR 27 H TYR 27 3.921 -0.161 4.310 193 HA TYR 27 HA TYR 27 1.142 0.641 4.613 194 HB2 TYR 27 2HB TYR 27 2.018 -1.756 4.851 195 HB3 TYR 27 1HB TYR 27 2.722 -1.209 6.374 196 HD1 TYR 27 2HD TYR 27 -0.416 -0.904 4.567 197 HD2 TYR 27 1HD TYR 27 1.437 -1.675 8.255 198 HE1 TYR 27 2HE TYR 27 -2.623 -1.224 5.542 199 HE2 TYR 27 1HE TYR 27 -0.766 -2.028 9.314 200 HH TYR 27 HH TYR 27 -3.604 -2.389 7.471 201 H LEU 28 H LEU 28 0.777 2.463 5.686 202 HA LEU 28 HA LEU 28 2.690 3.293 7.733 203 HB2 LEU 28 2HB LEU 28 0.955 4.799 5.835 204 HB3 LEU 28 1HB LEU 28 1.487 5.614 7.262 205 HG LEU 28 HG LEU 28 2.828 6.262 5.485 206 HD11 LEU 28 1HD1 LEU 28 4.392 4.338 7.171 207 HD12 LEU 28 2HD1 LEU 28 4.009 6.023 7.529 208 HD13 LEU 28 3HD1 LEU 28 5.076 5.629 6.176 209 HD21 LEU 28 3HD2 LEU 28 4.164 4.760 4.098 210 HD22 LEU 28 1HD2 LEU 28 2.440 4.435 3.949 211 HD23 LEU 28 2HD2 LEU 28 3.456 3.372 4.926 212 H LEU 29 H LEU 29 2.042 3.318 9.742 213 HA LEU 29 HA LEU 29 -0.826 3.587 10.330 214 HB2 LEU 29 2HB LEU 29 1.254 1.952 11.774 215 HB3 LEU 29 1HB LEU 29 -0.370 2.213 12.351 216 HG LEU 29 HG LEU 29 0.414 0.741 9.867 217 HD11 LEU 29 1HD1 LEU 29 -0.388 -1.248 11.118 218 HD12 LEU 29 2HD1 LEU 29 -0.640 -0.222 12.529 219 HD13 LEU 29 3HD1 LEU 29 0.985 -0.468 11.898 220 HD21 LEU 29 3HD2 LEU 29 -1.753 1.826 9.596 221 HD22 LEU 29 1HD2 LEU 29 -2.304 1.149 11.127 222 HD23 LEU 29 2HD2 LEU 29 -1.965 0.085 9.762 223 H ILE 30 H ILE 30 -0.975 4.242 12.779 224 HA ILE 30 HA ILE 30 0.582 6.629 13.088 225 HB ILE 30 HB ILE 30 -1.237 5.287 15.137 226 HG12 ILE 30 2HG1 ILE 30 -1.867 7.477 13.131 227 HG13 ILE 30 1HG1 ILE 30 -2.422 5.816 13.023 228 HG21 ILE 30 1HG2 ILE 30 0.317 6.924 16.100 229 HG22 ILE 30 2HG2 ILE 30 -1.334 7.553 16.145 230 HG23 ILE 30 3HG2 ILE 30 -0.185 8.115 14.918 231 HD11 ILE 30 3HD1 ILE 30 -4.177 7.277 13.844 232 HD12 ILE 30 1HD1 ILE 30 -3.147 7.788 15.182 233 HD13 ILE 30 2HD1 ILE 30 -3.699 6.119 15.087 234 H LYS 31 H LYS 31 0.801 3.378 13.938 235 HA LYS 31 HA LYS 31 2.628 3.316 16.056 236 HB2 LYS 31 2HB LYS 31 2.419 1.488 13.677 237 HB3 LYS 31 1HB LYS 31 3.343 1.167 15.140 238 HG2 LYS 31 2HG LYS 31 1.271 1.246 16.453 239 HG3 LYS 31 1HG LYS 31 0.355 1.529 14.975 240 HD2 LYS 31 2HD LYS 31 0.277 -0.831 15.639 241 HD3 LYS 31 1HD LYS 31 1.096 -0.624 14.092 242 HE2 LYS 31 2HE LYS 31 2.270 -2.203 15.508 243 HE3 LYS 31 1HE LYS 31 3.266 -0.807 15.190 244 HZ1 LYS 31 3HZ LYS 31 3.429 -1.418 17.485 245 HZ2 LYS 31 1HZ LYS 31 1.749 -1.329 17.708 246 HZ3 LYS 31 2HZ LYS 31 2.651 0.055 17.381 247 H ASP 32 H ASP 32 3.025 3.957 12.631 248 HA ASP 32 HA ASP 32 5.874 3.984 12.704 249 HB2 ASP 32 2HB ASP 32 3.941 5.112 10.664 250 HB3 ASP 32 1HB ASP 32 5.685 5.019 10.444 251 H GLY 33 H GLY 33 3.325 6.422 12.828 252 HA2 GLY 33 2HA GLY 33 4.292 8.105 14.641 253 HA3 GLY 33 1HA GLY 33 5.306 8.520 13.276 254 H CYS 34 H CYS 34 3.467 8.324 11.225 255 HA CYS 34 HA CYS 34 2.243 10.861 11.434 256 HB2 CYS 34 2HB CYS 34 1.823 8.703 9.335 257 HB3 CYS 34 1HB CYS 34 1.365 10.395 9.173 258 H ARG 35 H ARG 35 0.099 11.439 11.651 259 HA ARG 35 HA ARG 35 -1.505 9.634 13.224 260 HB2 ARG 35 2HB ARG 35 -2.049 12.454 12.311 261 HB3 ARG 35 1HB ARG 35 -3.060 11.546 13.422 262 HG2 ARG 35 2HG ARG 35 -0.218 12.432 13.879 263 HG3 ARG 35 1HG ARG 35 -1.671 13.086 14.633 264 HD2 ARG 35 2HD ARG 35 -0.525 10.318 14.984 265 HD3 ARG 35 1HD ARG 35 -0.579 11.608 16.175 266 HE ARG 35 HE ARG 35 -3.177 10.917 15.232 267 HH11 ARG 35 1HH1 ARG 35 -0.679 10.026 17.558 268 HH12 ARG 35 2HH1 ARG 35 -1.703 9.081 18.534 269 HH21 ARG 35 1HH2 ARG 35 -4.593 9.641 16.526 270 HH22 ARG 35 2HH2 ARG 35 -4.003 8.849 17.936 271 H VAL 36 H VAL 36 -1.121 9.808 10.078 272 HA VAL 36 HA VAL 36 -3.886 9.085 9.573 273 HB VAL 36 HB VAL 36 -3.366 11.060 8.279 274 HG11 VAL 36 1HG1 VAL 36 -1.580 11.132 6.600 275 HG12 VAL 36 2HG1 VAL 36 -1.021 9.551 7.147 276 HG13 VAL 36 3HG1 VAL 36 -0.951 10.936 8.238 277 HG21 VAL 36 3HG2 VAL 36 -3.782 10.267 5.982 278 HG22 VAL 36 1HG2 VAL 36 -4.784 9.421 7.164 279 HG23 VAL 36 2HG2 VAL 36 -3.364 8.628 6.487 280 HA PRO 37 HA PRO 37 -1.735 5.212 8.895 281 HB2 PRO 37 2HB PRO 37 -3.790 3.613 9.686 282 HB3 PRO 37 1HB PRO 37 -2.684 4.362 10.836 283 HG2 PRO 37 2HG PRO 37 -5.475 5.100 10.156 284 HG3 PRO 37 1HG PRO 37 -4.601 5.288 11.683 285 HD2 PRO 37 2HD PRO 37 -5.095 7.287 9.784 286 HD3 PRO 37 1HD PRO 37 -3.940 7.383 11.128 287 H ALA 38 H ALA 38 -1.687 4.314 6.958 288 HA ALA 38 HA ALA 38 -3.865 3.447 5.479 289 HB1 ALA 38 1HB ALA 38 -2.684 6.033 4.458 290 HB2 ALA 38 2HB ALA 38 -4.310 5.844 5.116 291 HB3 ALA 38 3HB ALA 38 -3.863 5.027 3.617 292 H VAL 39 H VAL 39 -3.213 2.698 3.379 293 HA VAL 39 HA VAL 39 -0.351 2.114 3.423 294 HB VAL 39 HB VAL 39 -1.760 0.109 3.674 295 HG11 VAL 39 1HG1 VAL 39 -3.765 0.801 2.568 296 HG12 VAL 39 2HG1 VAL 39 -3.155 -0.707 1.878 297 HG13 VAL 39 3HG1 VAL 39 -2.919 0.808 1.009 298 HG21 VAL 39 3HG2 VAL 39 -0.826 -1.246 1.874 299 HG22 VAL 39 1HG2 VAL 39 0.369 -0.135 2.547 300 HG23 VAL 39 2HG2 VAL 39 -0.397 0.225 0.997 301 H VAL 40 H VAL 40 0.895 2.860 1.784 302 HA VAL 40 HA VAL 40 -0.504 4.288 -0.282 303 HB VAL 40 HB VAL 40 1.388 5.413 -0.736 304 HG11 VAL 40 1HG1 VAL 40 2.731 5.995 1.241 305 HG12 VAL 40 2HG1 VAL 40 1.898 4.701 2.101 306 HG13 VAL 40 3HG1 VAL 40 0.984 6.038 1.444 307 HG21 VAL 40 3HG2 VAL 40 3.127 3.070 0.037 308 HG22 VAL 40 1HG2 VAL 40 3.761 4.664 -0.435 309 HG23 VAL 40 2HG2 VAL 40 2.784 3.729 -1.563 310 H PHE 41 H PHE 41 -0.847 3.472 -2.233 311 HA PHE 41 HA PHE 41 0.436 0.945 -2.857 312 HB2 PHE 41 2HB PHE 41 -2.119 2.198 -3.736 313 HB3 PHE 41 1HB PHE 41 -1.444 0.904 -4.680 314 HD1 PHE 41 2HD PHE 41 -0.413 -0.734 -2.226 315 HD2 PHE 41 1HD PHE 41 -4.122 1.200 -3.064 316 HE1 PHE 41 2HE PHE 41 -1.558 -2.316 -0.775 317 HE2 PHE 41 1HE PHE 41 -5.270 -0.388 -1.599 318 HZ PHE 41 HZ PHE 41 -3.978 -2.167 -0.453 319 H THR 42 H THR 42 2.108 1.051 -4.097 320 HA THR 42 HA THR 42 2.403 3.180 -6.033 321 HB THR 42 HB THR 42 4.115 0.747 -5.440 322 HG1 THR 42 1HG THR 42 4.859 3.410 -5.002 323 HG21 THR 42 3HG2 THR 42 5.859 1.871 -6.839 324 HG22 THR 42 1HG2 THR 42 4.653 3.065 -7.343 325 HG23 THR 42 2HG2 THR 42 4.446 1.359 -7.749 326 H THR 43 H THR 43 1.017 2.973 -7.680 327 HA THR 43 HA THR 43 0.152 0.437 -8.611 328 HB THR 43 HB THR 43 -1.057 1.755 -10.311 329 HG1 THR 43 1HG THR 43 -0.968 4.103 -9.924 330 HG21 THR 43 3HG2 THR 43 -1.289 2.805 -7.489 331 HG22 THR 43 1HG2 THR 43 -2.045 1.337 -8.104 332 HG23 THR 43 2HG2 THR 43 -2.539 2.914 -8.724 333 H LEU 44 H LEU 44 0.239 -0.059 -11.068 334 HA LEU 44 HA LEU 44 2.846 -0.518 -11.836 335 HB2 LEU 44 2HB LEU 44 0.328 -0.414 -13.465 336 HB3 LEU 44 1HB LEU 44 1.842 -1.111 -13.985 337 HG LEU 44 HG LEU 44 0.118 -2.115 -11.719 338 HD11 LEU 44 1HD1 LEU 44 -0.861 -2.554 -13.888 339 HD12 LEU 44 2HD1 LEU 44 -0.270 -4.044 -13.156 340 HD13 LEU 44 3HD1 LEU 44 0.652 -3.271 -14.445 341 HD21 LEU 44 3HD2 LEU 44 2.481 -2.516 -11.259 342 HD22 LEU 44 1HD2 LEU 44 2.679 -3.240 -12.859 343 HD23 LEU 44 2HD2 LEU 44 1.660 -4.021 -11.654 344 H ARG 45 H ARG 45 0.724 2.118 -12.428 345 HA ARG 45 HA ARG 45 2.169 3.375 -14.532 346 HB2 ARG 45 2HB ARG 45 -0.205 3.791 -14.089 347 HB3 ARG 45 1HB ARG 45 0.199 4.503 -12.542 348 HG2 ARG 45 2HG ARG 45 -0.377 6.183 -14.183 349 HG3 ARG 45 1HG ARG 45 1.303 6.360 -13.684 350 HD2 ARG 45 2HD ARG 45 0.438 4.926 -16.200 351 HD3 ARG 45 1HD ARG 45 0.836 6.637 -16.161 352 HE ARG 45 HE ARG 45 2.997 5.473 -15.068 353 HH11 ARG 45 1HH1 ARG 45 1.275 4.856 -18.106 354 HH12 ARG 45 2HH1 ARG 45 2.665 4.416 -18.973 355 HH21 ARG 45 1HH2 ARG 45 4.912 4.876 -16.281 356 HH22 ARG 45 2HH2 ARG 45 4.771 4.440 -17.920 357 H GLY 46 H GLY 46 2.749 3.087 -11.175 358 HA2 GLY 46 2HA GLY 46 4.750 3.725 -10.156 359 HA3 GLY 46 1HA GLY 46 4.987 4.944 -11.396 360 H ARG 47 H ARG 47 1.875 4.807 -10.053 361 HA ARG 47 HA ARG 47 2.357 7.346 -8.706 362 HB2 ARG 47 2HB ARG 47 -0.161 5.926 -9.511 363 HB3 ARG 47 1HB ARG 47 -0.150 7.418 -8.591 364 HG2 ARG 47 2HG ARG 47 1.100 7.044 -11.265 365 HG3 ARG 47 1HG ARG 47 -0.532 7.725 -11.050 366 HD2 ARG 47 2HD ARG 47 0.531 9.523 -9.684 367 HD3 ARG 47 1HD ARG 47 2.107 8.835 -10.069 368 HE ARG 47 HE ARG 47 0.943 9.251 -12.487 369 HH11 ARG 47 1HH1 ARG 47 1.643 11.350 -9.702 370 HH12 ARG 47 2HH1 ARG 47 1.842 12.742 -10.660 371 HH21 ARG 47 1HH2 ARG 47 1.204 11.184 -13.764 372 HH22 ARG 47 2HH2 ARG 47 1.590 12.651 -12.976 373 H GLN 48 H GLN 48 2.044 7.641 -6.636 374 HA GLN 48 HA GLN 48 1.494 5.243 -5.033 375 HB2 GLN 48 2HB GLN 48 2.939 7.780 -4.229 376 HB3 GLN 48 1HB GLN 48 2.544 6.477 -3.113 377 HG2 GLN 48 2HG GLN 48 3.897 4.934 -4.436 378 HG3 GLN 48 1HG GLN 48 4.296 6.244 -5.538 379 HE21 GLN 48 1HE2 GLN 48 6.453 5.979 -5.144 380 HE22 GLN 48 2HE2 GLN 48 7.231 6.480 -3.688 381 H LEU 49 H LEU 49 -0.454 5.074 -4.421 382 HA LEU 49 HA LEU 49 -1.923 7.490 -3.593 383 HB2 LEU 49 2HB LEU 49 -2.616 6.797 -5.870 384 HB3 LEU 49 1HB LEU 49 -2.998 5.209 -5.224 385 HG LEU 49 HG LEU 49 -4.809 6.150 -3.872 386 HD11 LEU 49 1HD1 LEU 49 -4.061 8.793 -5.125 387 HD12 LEU 49 2HD1 LEU 49 -3.878 8.356 -3.425 388 HD13 LEU 49 3HD1 LEU 49 -5.485 8.487 -4.133 389 HD21 LEU 49 3HD2 LEU 49 -5.288 5.431 -6.165 390 HD22 LEU 49 1HD2 LEU 49 -4.952 7.060 -6.740 391 HD23 LEU 49 2HD2 LEU 49 -6.326 6.776 -5.676 392 H CYS 50 H CYS 50 -2.886 7.248 -1.613 393 HA CYS 50 HA CYS 50 -2.518 4.729 -0.354 394 HB2 CYS 50 2HB CYS 50 -3.480 7.384 0.539 395 HB3 CYS 50 1HB CYS 50 -3.310 6.015 1.626 396 H ALA 51 H ALA 51 -4.015 3.487 0.606 397 HA ALA 51 HA ALA 51 -6.831 3.955 -0.075 398 HB1 ALA 51 1HB ALA 51 -7.122 1.663 -0.573 399 HB2 ALA 51 2HB ALA 51 -5.456 1.258 -0.087 400 HB3 ALA 51 3HB ALA 51 -5.789 2.238 -1.528 401 HA PRO 52 HA PRO 52 -7.729 3.434 4.119 402 HB2 PRO 52 2HB PRO 52 -10.085 2.123 4.201 403 HB3 PRO 52 1HB PRO 52 -9.957 3.767 3.560 404 HG2 PRO 52 2HG PRO 52 -10.032 1.160 2.093 405 HG3 PRO 52 1HG PRO 52 -10.936 2.624 1.716 406 HD2 PRO 52 2HD PRO 52 -8.713 1.879 0.466 407 HD3 PRO 52 1HD PRO 52 -9.107 3.586 0.657 408 HA PRO 53 HA PRO 53 -5.637 -0.529 4.659 409 HB2 PRO 53 2HB PRO 53 -4.662 -0.070 7.131 410 HB3 PRO 53 1HB PRO 53 -3.987 0.698 5.690 411 HG2 PRO 53 2HG PRO 53 -5.989 1.773 7.634 412 HG3 PRO 53 1HG PRO 53 -4.522 2.566 7.043 413 HD2 PRO 53 2HD PRO 53 -6.923 3.128 5.989 414 HD3 PRO 53 1HD PRO 53 -5.536 3.044 4.923 415 H ASP 54 H ASP 54 -7.924 0.799 6.925 416 HA ASP 54 HA ASP 54 -8.162 -1.655 8.381 417 HB2 ASP 54 2HB ASP 54 -8.459 0.339 9.641 418 HB3 ASP 54 1HB ASP 54 -9.668 0.956 8.538 419 H GLN 55 H GLN 55 -9.673 -0.238 5.652 420 HA GLN 55 HA GLN 55 -12.121 -1.607 5.792 421 HB2 GLN 55 2HB GLN 55 -10.722 -0.334 3.460 422 HB3 GLN 55 1HB GLN 55 -12.325 -1.044 3.343 423 HG2 GLN 55 2HG GLN 55 -11.559 1.205 5.187 424 HG3 GLN 55 1HG GLN 55 -12.389 1.394 3.639 425 HE21 GLN 55 1HE2 GLN 55 -14.514 0.750 3.491 426 HE22 GLN 55 2HE2 GLN 55 -15.496 0.460 4.879 427 HA PRO 56 HA PRO 56 -11.220 -5.779 4.907 428 HB2 PRO 56 2HB PRO 56 -13.653 -5.650 3.204 429 HB3 PRO 56 1HB PRO 56 -13.243 -6.791 4.487 430 HG2 PRO 56 2HG PRO 56 -14.991 -4.881 4.970 431 HG3 PRO 56 1HG PRO 56 -13.749 -5.256 6.174 432 HD2 PRO 56 2HD PRO 56 -13.883 -2.985 4.246 433 HD3 PRO 56 1HD PRO 56 -13.378 -3.022 5.952 434 H TRP 57 H TRP 57 -12.133 -3.841 2.066 435 HA TRP 57 HA TRP 57 -11.284 -5.807 0.224 436 HB2 TRP 57 2HB TRP 57 -11.636 -4.227 -1.546 437 HB3 TRP 57 1HB TRP 57 -12.864 -3.886 -0.340 438 HD1 TRP 57 HD1 TRP 57 -12.607 -1.455 0.995 439 HE1 TRP 57 1HE TRP 57 -11.329 0.658 0.339 440 HE3 TRP 57 3HE TRP 57 -9.614 -3.399 -2.679 441 HZ2 TRP 57 2HZ TRP 57 -9.285 1.407 -1.496 442 HZ3 TRP 57 3HZ TRP 57 -8.039 -1.893 -3.820 443 HH2 TRP 57 HH2 TRP 57 -7.899 0.450 -3.232 444 H VAL 58 H VAL 58 -9.555 -3.340 1.915 445 HA VAL 58 HA VAL 58 -7.251 -3.527 0.237 446 HB VAL 58 HB VAL 58 -7.704 -2.040 2.854 447 HG11 VAL 58 1HG1 VAL 58 -5.272 -2.000 1.075 448 HG12 VAL 58 2HG1 VAL 58 -5.355 -2.687 2.694 449 HG13 VAL 58 3HG1 VAL 58 -5.553 -0.945 2.460 450 HG21 VAL 58 3HG2 VAL 58 -7.336 -1.073 0.019 451 HG22 VAL 58 1HG2 VAL 58 -7.544 -0.046 1.424 452 HG23 VAL 58 2HG2 VAL 58 -8.846 -1.104 0.906 453 H GLU 59 H GLU 59 -8.391 -5.018 3.143 454 HA GLU 59 HA GLU 59 -5.998 -5.918 4.261 455 HB2 GLU 59 2HB GLU 59 -8.619 -7.434 4.212 456 HB3 GLU 59 1HB GLU 59 -7.305 -7.678 5.345 457 HG2 GLU 59 2HG GLU 59 -7.678 -5.417 6.228 458 HG3 GLU 59 1HG GLU 59 -9.027 -5.218 5.110 459 H ARG 60 H ARG 60 -8.076 -7.485 1.876 460 HA ARG 60 HA ARG 60 -6.563 -9.864 1.648 461 HB2 ARG 60 2HB ARG 60 -8.499 -8.643 -0.323 462 HB3 ARG 60 1HB ARG 60 -7.714 -10.185 -0.607 463 HG2 ARG 60 2HG ARG 60 -9.935 -10.592 0.187 464 HG3 ARG 60 1HG ARG 60 -8.825 -11.030 1.481 465 HD2 ARG 60 2HD ARG 60 -9.277 -8.939 2.599 466 HD3 ARG 60 1HD ARG 60 -10.317 -8.413 1.284 467 HE ARG 60 HE ARG 60 -10.882 -10.760 2.956 468 HH11 ARG 60 1HH1 ARG 60 -11.981 -7.829 1.281 469 HH12 ARG 60 2HH1 ARG 60 -13.575 -7.921 1.850 470 HH21 ARG 60 1HH2 ARG 60 -13.107 -10.890 3.738 471 HH22 ARG 60 2HH2 ARG 60 -14.228 -9.696 3.285 472 H ILE 61 H ILE 61 -6.446 -6.913 -0.279 473 HA ILE 61 HA ILE 61 -4.530 -7.974 -2.066 474 HB ILE 61 HB ILE 61 -4.193 -5.596 -2.786 475 HG12 ILE 61 2HG1 ILE 61 -6.463 -5.142 -0.850 476 HG13 ILE 61 1HG1 ILE 61 -4.831 -4.509 -0.689 477 HG21 ILE 61 1HG2 ILE 61 -6.521 -5.528 -3.843 478 HG22 ILE 61 2HG2 ILE 61 -6.934 -6.857 -2.775 479 HG23 ILE 61 3HG2 ILE 61 -5.685 -7.079 -3.983 480 HD11 ILE 61 3HD1 ILE 61 -6.812 -3.799 -2.838 481 HD12 ILE 61 1HD1 ILE 61 -5.180 -3.154 -2.685 482 HD13 ILE 61 2HD1 ILE 61 -6.377 -2.806 -1.449 483 H ILE 62 H ILE 62 -4.198 -6.118 0.864 484 HA ILE 62 HA ILE 62 -1.413 -5.668 0.710 485 HB ILE 62 HB ILE 62 -3.082 -6.210 3.193 486 HG12 ILE 62 2HG1 ILE 62 -2.170 -3.612 1.944 487 HG13 ILE 62 1HG1 ILE 62 -3.806 -4.246 1.971 488 HG21 ILE 62 1HG2 ILE 62 -1.260 -5.161 4.470 489 HG22 ILE 62 2HG2 ILE 62 -0.295 -5.058 2.995 490 HG23 ILE 62 3HG2 ILE 62 -0.730 -6.634 3.658 491 HD11 ILE 62 3HD1 ILE 62 -3.877 -4.037 4.369 492 HD12 ILE 62 1HD1 ILE 62 -3.475 -2.490 3.620 493 HD13 ILE 62 2HD1 ILE 62 -2.210 -3.450 4.381 494 H GLN 63 H GLN 63 -3.252 -8.374 2.030 495 HA GLN 63 HA GLN 63 -1.102 -9.972 2.848 496 HB2 GLN 63 2HB GLN 63 -3.770 -10.913 1.773 497 HB3 GLN 63 1HB GLN 63 -2.641 -11.880 2.698 498 HG2 GLN 63 2HG GLN 63 -4.217 -9.504 3.661 499 HG3 GLN 63 1HG GLN 63 -4.469 -11.193 4.080 500 HE21 GLN 63 1HE2 GLN 63 -2.979 -12.198 5.451 501 HE22 GLN 63 2HE2 GLN 63 -1.920 -11.302 6.472 502 H ARG 64 H ARG 64 -2.787 -9.666 -0.188 503 HA ARG 64 HA ARG 64 -1.600 -11.738 -1.623 504 HB2 ARG 64 2HB ARG 64 -3.631 -10.374 -2.294 505 HB3 ARG 64 1HB ARG 64 -2.546 -9.070 -2.712 506 HG2 ARG 64 2HG ARG 64 -2.471 -11.778 -4.033 507 HG3 ARG 64 1HG ARG 64 -3.448 -10.443 -4.624 508 HD2 ARG 64 2HD ARG 64 -1.411 -9.115 -4.938 509 HD3 ARG 64 1HD ARG 64 -0.445 -10.461 -4.331 510 HE ARG 64 HE ARG 64 -1.771 -11.609 -6.334 511 HH11 ARG 64 1HH1 ARG 64 -0.062 -8.508 -6.266 512 HH12 ARG 64 2HH1 ARG 64 0.470 -8.633 -7.871 513 HH21 ARG 64 1HH2 ARG 64 -1.064 -11.744 -8.520 514 HH22 ARG 64 2HH2 ARG 64 -0.101 -10.501 -9.197 515 H LEU 65 H LEU 65 -0.612 -8.269 -1.475 516 HA LEU 65 HA LEU 65 1.746 -8.792 -2.917 517 HB2 LEU 65 2HB LEU 65 0.947 -6.463 -1.210 518 HB3 LEU 65 1HB LEU 65 2.504 -6.556 -2.002 519 HG LEU 65 HG LEU 65 -0.160 -6.565 -3.425 520 HD11 LEU 65 1HD1 LEU 65 0.297 -4.431 -2.428 521 HD12 LEU 65 2HD1 LEU 65 0.581 -4.312 -4.182 522 HD13 LEU 65 3HD1 LEU 65 1.935 -4.434 -3.074 523 HD21 LEU 65 3HD2 LEU 65 2.678 -6.490 -4.461 524 HD22 LEU 65 1HD2 LEU 65 1.245 -6.227 -5.437 525 HD23 LEU 65 2HD2 LEU 65 1.517 -7.801 -4.689 526 H GLN 66 H GLN 66 1.046 -9.029 0.501 527 HA GLN 66 HA GLN 66 3.791 -9.218 1.192 528 HB2 GLN 66 2HB GLN 66 1.381 -10.278 2.673 529 HB3 GLN 66 1HB GLN 66 3.020 -10.322 3.306 530 HG2 GLN 66 2HG GLN 66 3.101 -7.878 3.180 531 HG3 GLN 66 1HG GLN 66 1.427 -7.866 2.628 532 HE21 GLN 66 1HE2 GLN 66 -0.198 -8.425 4.084 533 HE22 GLN 66 2HE2 GLN 66 0.053 -8.434 5.779 534 H ARG 67 H ARG 67 1.488 -11.502 0.020 535 HA ARG 67 HA ARG 67 3.169 -13.762 0.480 536 HB2 ARG 67 2HB ARG 67 0.818 -13.464 -1.396 537 HB3 ARG 67 1HB ARG 67 1.625 -14.981 -1.033 538 HG2 ARG 67 2HG ARG 67 0.124 -13.250 0.924 539 HG3 ARG 67 1HG ARG 67 -0.425 -14.782 0.247 540 HD2 ARG 67 2HD ARG 67 1.468 -15.923 1.315 541 HD3 ARG 67 1HD ARG 67 2.013 -14.387 1.981 542 HE ARG 67 HE ARG 67 -0.680 -15.181 2.668 543 HH11 ARG 67 1HH1 ARG 67 2.725 -15.161 3.628 544 HH12 ARG 67 2HH1 ARG 67 2.416 -15.359 5.289 545 HH21 ARG 67 1HH2 ARG 67 -1.098 -15.489 4.965 546 HH22 ARG 67 2HH2 ARG 67 0.197 -15.546 6.064 547 H THR 68 H THR 68 2.699 -11.559 -2.237 548 HA THR 68 HA THR 68 4.387 -13.071 -3.950 549 HB THR 68 HB THR 68 4.506 -11.002 -5.318 550 HG1 THR 68 1HG THR 68 4.174 -9.274 -4.013 551 HG21 THR 68 3HG2 THR 68 1.736 -11.872 -4.492 552 HG22 THR 68 1HG2 THR 68 2.752 -12.630 -5.715 553 HG23 THR 68 2HG2 THR 68 2.127 -11.000 -5.976 554 H SER 69 H SER 69 4.852 -10.595 -1.693 555 HA SER 69 HA SER 69 7.600 -10.123 -2.233 556 HB2 SER 69 2HB SER 69 6.161 -8.516 -0.991 557 HB3 SER 69 1HB SER 69 6.056 -9.664 0.337 558 HG SER 69 HG SER 69 8.501 -8.639 -0.653 559 H ALA 70 H ALA 70 5.832 -12.355 -0.184 560 HA ALA 70 HA ALA 70 8.052 -13.403 1.220 561 HB1 ALA 70 1HB ALA 70 6.565 -15.233 1.867 562 HB2 ALA 70 2HB ALA 70 5.398 -14.726 0.647 563 HB3 ALA 70 3HB ALA 70 5.745 -13.679 2.022 564 H LYS 71 H LYS 71 6.402 -14.390 -1.782 565 HA LYS 71 HA LYS 71 7.986 -16.667 -2.273 566 HB2 LYS 71 2HB LYS 71 6.550 -14.830 -4.195 567 HB3 LYS 71 1HB LYS 71 7.169 -16.425 -4.572 568 HG2 LYS 71 2HG LYS 71 4.967 -15.812 -2.606 569 HG3 LYS 71 1HG LYS 71 4.738 -16.406 -4.246 570 HD2 LYS 71 2HD LYS 71 5.994 -18.457 -3.631 571 HD3 LYS 71 1HD LYS 71 6.124 -17.846 -1.979 572 HE2 LYS 71 2HE LYS 71 3.684 -17.812 -1.783 573 HE3 LYS 71 1HE LYS 71 3.542 -18.381 -3.442 574 HZ1 LYS 71 3HZ LYS 71 3.258 -20.183 -1.879 575 HZ2 LYS 71 1HZ LYS 71 4.731 -19.875 -1.173 576 HZ3 LYS 71 2HZ LYS 71 4.670 -20.440 -2.767 577 H MET 72 H MET 72 8.324 -13.273 -2.911 578 HA MET 72 HA MET 72 10.541 -13.349 -4.687 579 HB2 MET 72 2HB MET 72 9.010 -11.437 -4.506 580 HB3 MET 72 1HB MET 72 9.512 -11.184 -2.845 581 HG2 MET 72 2HG MET 72 11.724 -10.594 -3.635 582 HG3 MET 72 1HG MET 72 11.209 -10.850 -5.304 583 HE1 MET 72 3HE MET 72 11.945 -8.394 -5.969 584 HE2 MET 72 1HE MET 72 12.501 -8.112 -4.318 585 HE3 MET 72 2HE MET 72 11.434 -6.943 -5.098 586 H LYS 73 H LYS 73 10.169 -13.718 -1.365 587 HA LYS 73 HA LYS 73 12.935 -13.148 -0.686 588 HB2 LYS 73 2HB LYS 73 10.931 -12.582 0.805 589 HB3 LYS 73 1HB LYS 73 10.722 -14.300 1.041 590 HG2 LYS 73 2HG LYS 73 11.854 -13.362 2.942 591 HG3 LYS 73 1HG LYS 73 12.977 -14.398 2.059 592 HD2 LYS 73 2HD LYS 73 13.990 -12.447 1.006 593 HD3 LYS 73 1HD LYS 73 12.817 -11.395 1.796 594 HE2 LYS 73 2HE LYS 73 14.833 -13.123 3.224 595 HE3 LYS 73 1HE LYS 73 15.033 -11.403 2.906 596 HZ1 LYS 73 3HZ LYS 73 13.026 -11.004 4.258 597 HZ2 LYS 73 1HZ LYS 73 14.216 -11.776 5.156 598 HZ3 LYS 73 2HZ LYS 73 12.887 -12.623 4.577 599 H ARG 74 H ARG 74 14.410 -14.812 -0.337 600 HA ARG 74 HA ARG 74 13.837 -17.317 -1.588 601 HB2 ARG 74 2HB ARG 74 16.132 -17.887 -1.151 602 HB3 ARG 74 1HB ARG 74 16.041 -16.241 -1.754 603 HG2 ARG 74 2HG ARG 74 16.228 -15.445 0.611 604 HG3 ARG 74 1HG ARG 74 16.483 -17.119 1.087 605 HD2 ARG 74 2HD ARG 74 18.438 -17.251 -0.352 606 HD3 ARG 74 1HD ARG 74 18.192 -15.574 -0.847 607 HE ARG 74 HE ARG 74 18.506 -16.105 1.983 608 HH11 ARG 74 1HH1 ARG 74 19.959 -14.913 -1.020 609 HH12 ARG 74 2HH1 ARG 74 21.292 -14.198 -0.240 610 HH21 ARG 74 1HH2 ARG 74 20.378 -15.106 3.033 611 HH22 ARG 74 2HH2 ARG 74 21.548 -14.319 2.064 612 H ARG 75 H ARG 75 13.243 -16.236 1.435 613 HA ARG 75 HA ARG 75 12.566 -17.104 3.383 614 HB2 ARG 75 2HB ARG 75 11.054 -18.510 2.090 615 HB3 ARG 75 1HB ARG 75 12.323 -19.697 1.843 616 HG2 ARG 75 2HG ARG 75 10.816 -20.488 3.568 617 HG3 ARG 75 1HG ARG 75 12.378 -20.106 4.282 618 HD2 ARG 75 2HD ARG 75 10.556 -19.289 5.686 619 HD3 ARG 75 1HD ARG 75 11.506 -17.942 5.059 620 HE ARG 75 HE ARG 75 9.290 -18.613 3.411 621 HH11 ARG 75 1HH1 ARG 75 10.160 -16.776 6.378 622 HH12 ARG 75 2HH1 ARG 75 8.845 -15.720 6.227 623 HH21 ARG 75 1HH2 ARG 75 7.475 -17.139 3.287 624 HH22 ARG 75 2HH2 ARG 75 7.285 -15.924 4.455 625 H SER 76 H SER 76 14.257 -16.823 4.587 626 HA SER 76 HA SER 76 15.798 -19.249 5.149 627 HB2 SER 76 2HB SER 76 16.824 -16.399 5.235 628 HB3 SER 76 1HB SER 76 17.738 -17.857 5.662 629 HG SER 76 HG SER 76 16.607 -18.167 3.297 630 H SER 77 H SER 77 13.822 -16.708 6.174 631 HA SER 77 HA SER 77 13.426 -17.816 8.717 632 HB2 SER 77 2HB SER 77 14.508 -14.975 8.471 633 HB3 SER 77 1HB SER 77 13.868 -15.695 9.947 634 HG SER 77 HG SER 77 15.713 -17.285 8.854 Start of MODEL 15 1 H1 GLY 1 1HT GLY 1 -2.081 24.274 -6.240 2 H2 GLY 1 2HT GLY 1 -0.939 23.933 -5.018 3 H3 GLY 1 3HT GLY 1 -2.567 23.821 -4.676 4 HA2 GLY 1 1HA GLY 1 -2.788 21.979 -6.178 5 HA3 GLY 1 2HA GLY 1 -1.077 22.131 -6.566 6 H THR 2 H THR 2 -2.393 19.836 -5.444 7 HA THR 2 HA THR 2 -1.968 19.681 -2.678 8 HB THR 2 HB THR 2 -2.033 17.189 -3.130 9 HG1 THR 2 1HG THR 2 -1.324 17.734 -5.425 10 HG21 THR 2 3HG2 THR 2 -4.042 18.472 -2.538 11 HG22 THR 2 1HG2 THR 2 -4.423 17.209 -3.707 12 HG23 THR 2 2HG2 THR 2 -4.274 18.884 -4.237 13 H ASN 3 H ASN 3 -0.136 19.708 -1.651 14 HA ASN 3 HA ASN 3 2.212 18.485 -2.894 15 HB2 ASN 3 2HB ASN 3 2.426 20.919 -2.992 16 HB3 ASN 3 1HB ASN 3 2.136 21.032 -1.262 17 HD21 ASN 3 1HD2 ASN 3 4.104 22.010 -0.851 18 HD22 ASN 3 2HD2 ASN 3 5.604 21.191 -0.958 19 H ASP 4 H ASP 4 2.274 16.672 -1.798 20 HA ASP 4 HA ASP 4 1.997 16.794 1.095 21 HB2 ASP 4 2HB ASP 4 1.764 14.321 1.032 22 HB3 ASP 4 1HB ASP 4 0.537 15.147 0.090 23 H ALA 5 H ALA 5 3.683 16.911 2.257 24 HA ALA 5 HA ALA 5 6.282 16.168 1.149 25 HB1 ALA 5 1HB ALA 5 7.230 17.449 3.007 26 HB2 ALA 5 2HB ALA 5 5.614 17.694 3.664 27 HB3 ALA 5 3HB ALA 5 6.053 18.416 2.120 28 H GLU 6 H GLU 6 3.930 14.937 2.906 29 HA GLU 6 HA GLU 6 5.298 13.746 5.066 30 HB2 GLU 6 2HB GLU 6 2.582 13.131 3.911 31 HB3 GLU 6 1HB GLU 6 3.230 12.365 5.346 32 HG2 GLU 6 2HG GLU 6 1.736 14.066 6.055 33 HG3 GLU 6 1HG GLU 6 3.354 14.625 6.405 34 H ASP 7 H ASP 7 6.055 11.757 5.370 35 HA ASP 7 HA ASP 7 6.760 10.177 3.124 36 HB2 ASP 7 2HB ASP 7 8.176 10.157 5.125 37 HB3 ASP 7 1HB ASP 7 6.844 9.515 6.080 38 H CYS 8 H CYS 8 4.277 10.154 5.430 39 HA CYS 8 HA CYS 8 3.100 7.776 4.325 40 HB2 CYS 8 2HB CYS 8 1.215 8.221 5.940 41 HB3 CYS 8 1HB CYS 8 2.790 7.987 6.683 42 H CYS 9 H CYS 9 0.407 8.304 4.133 43 HA CYS 9 HA CYS 9 0.617 9.627 1.572 44 HB2 CYS 9 2HB CYS 9 -0.586 7.331 2.286 45 HB3 CYS 9 1HB CYS 9 -1.934 8.456 2.427 46 H LEU 10 H LEU 10 -1.897 10.543 1.078 47 HA LEU 10 HA LEU 10 -1.943 12.910 2.771 48 HB2 LEU 10 2HB LEU 10 -1.737 12.998 0.232 49 HB3 LEU 10 1HB LEU 10 -3.380 12.420 0.145 50 HG LEU 10 HG LEU 10 -2.512 15.077 1.328 51 HD11 LEU 10 1HD1 LEU 10 -3.790 14.424 -1.311 52 HD12 LEU 10 2HD1 LEU 10 -2.145 14.993 -1.047 53 HD13 LEU 10 3HD1 LEU 10 -3.511 16.052 -0.682 54 HD21 LEU 10 3HD2 LEU 10 -4.878 15.667 1.267 55 HD22 LEU 10 1HD2 LEU 10 -4.612 14.264 2.307 56 HD23 LEU 10 2HD2 LEU 10 -5.280 14.053 0.688 57 H SER 11 H SER 11 -4.499 10.906 1.135 58 HA SER 11 HA SER 11 -5.963 10.391 3.501 59 HB2 SER 11 2HB SER 11 -7.080 12.573 1.677 60 HB3 SER 11 1HB SER 11 -8.001 11.753 2.933 61 HG SER 11 HG SER 11 -5.642 12.774 3.822 62 H VAL 12 H VAL 12 -7.913 9.090 2.957 63 HA VAL 12 HA VAL 12 -7.577 8.021 0.237 64 HB VAL 12 HB VAL 12 -7.851 5.866 0.942 65 HG11 VAL 12 1HG1 VAL 12 -5.765 6.498 1.709 66 HG12 VAL 12 2HG1 VAL 12 -6.452 5.422 2.927 67 HG13 VAL 12 3HG1 VAL 12 -6.411 7.164 3.206 68 HG21 VAL 12 3HG2 VAL 12 -9.117 6.759 3.545 69 HG22 VAL 12 1HG2 VAL 12 -8.715 5.092 3.050 70 HG23 VAL 12 2HG2 VAL 12 -9.891 6.003 2.126 71 H THR 13 H THR 13 -9.500 7.062 -0.654 72 HA THR 13 HA THR 13 -11.969 8.255 0.344 73 HB THR 13 HB THR 13 -11.507 8.934 -1.967 74 HG1 THR 13 1HG THR 13 -13.494 8.728 -2.373 75 HG21 THR 13 3HG2 THR 13 -10.016 7.137 -2.629 76 HG22 THR 13 1HG2 THR 13 -11.321 7.319 -3.803 77 HG23 THR 13 2HG2 THR 13 -11.365 6.001 -2.631 78 H GLN 14 H GLN 14 -13.929 6.577 -0.400 79 HA GLN 14 HA GLN 14 -13.732 4.475 1.397 80 HB2 GLN 14 2HB GLN 14 -15.894 5.321 0.570 81 HB3 GLN 14 1HB GLN 14 -15.566 4.591 -1.001 82 HG2 GLN 14 2HG GLN 14 -15.521 2.387 0.012 83 HG3 GLN 14 1HG GLN 14 -15.800 3.125 1.590 84 HE21 GLN 14 1HE2 GLN 14 -17.205 2.270 -1.463 85 HE22 GLN 14 2HE2 GLN 14 -18.845 2.483 -0.979 86 H LYS 15 H LYS 15 -13.428 4.263 -2.156 87 HA LYS 15 HA LYS 15 -11.597 2.107 -1.682 88 HB2 LYS 15 2HB LYS 15 -13.786 1.030 -2.066 89 HB3 LYS 15 1HB LYS 15 -13.869 1.820 -3.635 90 HG2 LYS 15 2HG LYS 15 -11.885 0.649 -4.351 91 HG3 LYS 15 1HG LYS 15 -11.761 -0.099 -2.759 92 HD2 LYS 15 2HD LYS 15 -13.929 -1.188 -3.065 93 HD3 LYS 15 1HD LYS 15 -14.100 -0.406 -4.636 94 HE2 LYS 15 2HE LYS 15 -12.176 -1.639 -5.469 95 HE3 LYS 15 1HE LYS 15 -11.965 -2.397 -3.891 96 HZ1 LYS 15 3HZ LYS 15 -14.124 -3.447 -4.142 97 HZ2 LYS 15 1HZ LYS 15 -13.151 -3.829 -5.465 98 HZ3 LYS 15 2HZ LYS 15 -14.370 -2.683 -5.611 99 HA PRO 16 HA PRO 16 -9.866 5.429 -4.317 100 HB2 PRO 16 2HB PRO 16 -7.309 4.236 -3.934 101 HB3 PRO 16 1HB PRO 16 -7.971 5.684 -3.184 102 HG2 PRO 16 2HG PRO 16 -7.790 2.943 -2.029 103 HG3 PRO 16 1HG PRO 16 -7.923 4.479 -1.265 104 HD2 PRO 16 2HD PRO 16 -9.924 2.781 -1.313 105 HD3 PRO 16 1HD PRO 16 -10.060 4.516 -1.264 106 H ILE 17 H ILE 17 -7.963 2.420 -4.782 107 HA ILE 17 HA ILE 17 -8.626 2.594 -7.627 108 HB ILE 17 HB ILE 17 -6.316 2.362 -8.329 109 HG12 ILE 17 2HG1 ILE 17 -5.366 1.081 -6.416 110 HG13 ILE 17 1HG1 ILE 17 -4.361 2.449 -6.849 111 HG21 ILE 17 1HG2 ILE 17 -6.588 4.689 -6.476 112 HG22 ILE 17 2HG2 ILE 17 -7.070 4.599 -8.167 113 HG23 ILE 17 3HG2 ILE 17 -5.361 4.521 -7.730 114 HD11 ILE 17 3HD1 ILE 17 -6.216 2.255 -4.478 115 HD12 ILE 17 1HD1 ILE 17 -5.255 3.672 -4.912 116 HD13 ILE 17 2HD1 ILE 17 -4.455 2.171 -4.462 117 HA PRO 18 HA PRO 18 -8.653 -1.872 -7.571 118 HB2 PRO 18 2HB PRO 18 -6.673 -1.872 -9.805 119 HB3 PRO 18 1HB PRO 18 -8.276 -2.617 -9.729 120 HG2 PRO 18 2HG PRO 18 -7.912 -0.441 -11.176 121 HG3 PRO 18 1HG PRO 18 -9.373 -0.633 -10.188 122 HD2 PRO 18 2HD PRO 18 -6.910 0.951 -9.641 123 HD3 PRO 18 1HD PRO 18 -8.611 1.417 -9.410 124 H GLY 19 H GLY 19 -7.578 -3.188 -6.228 125 HA2 GLY 19 2HA GLY 19 -4.964 -2.444 -5.296 126 HA3 GLY 19 1HA GLY 19 -5.999 -3.703 -4.658 127 H TYR 20 H TYR 20 -5.838 -4.330 -7.839 128 HA TYR 20 HA TYR 20 -3.596 -6.082 -7.404 129 HB2 TYR 20 2HB TYR 20 -5.842 -6.218 -9.389 130 HB3 TYR 20 1HB TYR 20 -4.451 -7.295 -9.430 131 HD1 TYR 20 1HD TYR 20 -4.091 -8.877 -7.559 132 HD2 TYR 20 2HD TYR 20 -7.612 -6.517 -7.782 133 HE1 TYR 20 1HE TYR 20 -5.179 -10.347 -5.924 134 HE2 TYR 20 2HE TYR 20 -8.708 -7.972 -6.155 135 HH TYR 20 HH TYR 20 -6.967 -10.256 -4.334 136 H ILE 21 H ILE 21 -3.960 -3.089 -8.670 137 HA ILE 21 HA ILE 21 -2.045 -3.558 -10.865 138 HB ILE 21 HB ILE 21 -2.444 -1.251 -11.588 139 HG12 ILE 21 2HG1 ILE 21 -4.367 -1.064 -9.248 140 HG13 ILE 21 1HG1 ILE 21 -2.815 -0.255 -9.363 141 HG21 ILE 21 1HG2 ILE 21 -4.801 -1.446 -12.247 142 HG22 ILE 21 2HG2 ILE 21 -5.001 -2.758 -11.085 143 HG23 ILE 21 3HG2 ILE 21 -3.915 -2.960 -12.460 144 HD11 ILE 21 3HD1 ILE 21 -5.190 0.214 -11.145 145 HD12 ILE 21 1HD1 ILE 21 -3.633 1.034 -11.270 146 HD13 ILE 21 2HD1 ILE 21 -4.640 1.262 -9.837 147 H VAL 22 H VAL 22 -1.810 -3.257 -7.789 148 HA VAL 22 HA VAL 22 0.251 -1.218 -7.662 149 HB VAL 22 HB VAL 22 -1.265 -1.078 -5.847 150 HG11 VAL 22 1HG1 VAL 22 -2.292 -3.189 -5.909 151 HG12 VAL 22 2HG1 VAL 22 -1.640 -2.962 -4.286 152 HG13 VAL 22 3HG1 VAL 22 -0.809 -4.010 -5.452 153 HG21 VAL 22 3HG2 VAL 22 1.243 -2.437 -4.910 154 HG22 VAL 22 1HG2 VAL 22 0.159 -1.490 -3.898 155 HG23 VAL 22 2HG2 VAL 22 1.024 -0.715 -5.219 156 H ARG 23 H ARG 23 2.284 -1.466 -7.358 157 HA ARG 23 HA ARG 23 3.411 -4.022 -8.145 158 HB2 ARG 23 2HB ARG 23 4.037 -1.518 -8.911 159 HB3 ARG 23 1HB ARG 23 4.995 -1.574 -7.462 160 HG2 ARG 23 2HG ARG 23 5.291 -3.500 -9.764 161 HG3 ARG 23 1HG ARG 23 6.313 -2.107 -9.458 162 HD2 ARG 23 2HD ARG 23 7.057 -3.082 -7.373 163 HD3 ARG 23 1HD ARG 23 5.957 -4.438 -7.589 164 HE ARG 23 HE ARG 23 7.515 -4.374 -9.831 165 HH11 ARG 23 1HH1 ARG 23 8.126 -4.678 -6.360 166 HH12 ARG 23 2HH1 ARG 23 9.465 -5.709 -6.515 167 HH21 ARG 23 1HH2 ARG 23 9.367 -5.757 -10.082 168 HH22 ARG 23 2HH2 ARG 23 10.205 -6.349 -8.715 169 H ASN 24 H ASN 24 3.938 -1.589 -5.573 170 HA ASN 24 HA ASN 24 4.317 -3.653 -3.562 171 HB2 ASN 24 2HB ASN 24 6.303 -1.427 -4.118 172 HB3 ASN 24 1HB ASN 24 6.217 -2.238 -2.568 173 HD21 ASN 24 1HD2 ASN 24 6.887 -4.380 -2.450 174 HD22 ASN 24 2HD2 ASN 24 7.919 -5.091 -3.641 175 H PHE 25 H PHE 25 4.121 -2.690 -1.369 176 HA PHE 25 HA PHE 25 2.627 -0.160 -1.453 177 HB2 PHE 25 2HB PHE 25 0.998 -0.992 0.093 178 HB3 PHE 25 1HB PHE 25 0.962 -2.050 -1.284 179 HD1 PHE 25 1HD PHE 25 2.270 -4.284 -1.087 180 HD2 PHE 25 2HD PHE 25 1.309 -1.837 2.256 181 HE1 PHE 25 1HE PHE 25 2.617 -6.194 0.407 182 HE2 PHE 25 2HE PHE 25 1.659 -3.752 3.759 183 HZ PHE 25 HZ PHE 25 2.315 -5.930 2.835 184 H HIS 26 H HIS 26 2.656 0.978 0.517 185 HA HIS 26 HA HIS 26 4.520 -0.063 2.535 186 HB2 HIS 26 2HB HIS 26 4.195 2.910 1.868 187 HB3 HIS 26 1HB HIS 26 5.198 2.232 3.124 188 HD1 HIS 26 1HD HIS 26 5.986 3.964 0.399 189 HD2 HIS 26 2HD HIS 26 6.776 -0.019 1.298 190 HE1 HIS 26 1HE HIS 26 7.963 3.340 -0.973 191 HE2 HIS 26 2HE HIS 26 8.047 0.860 -0.731 192 H TYR 27 H TYR 27 3.395 -0.620 4.232 193 HA TYR 27 HA TYR 27 0.733 0.440 4.699 194 HB2 TYR 27 2HB TYR 27 1.544 -2.001 4.951 195 HB3 TYR 27 1HB TYR 27 2.298 -1.417 6.443 196 HD1 TYR 27 2HD TYR 27 -0.912 -1.198 4.688 197 HD2 TYR 27 1HD TYR 27 1.051 -1.714 8.385 198 HE1 TYR 27 2HE TYR 27 -3.060 -1.472 5.721 199 HE2 TYR 27 1HE TYR 27 -1.129 -2.013 9.514 200 HH TYR 27 HH TYR 27 -3.520 -1.368 9.105 201 H LEU 28 H LEU 28 0.829 2.447 5.427 202 HA LEU 28 HA LEU 28 2.783 3.028 7.512 203 HB2 LEU 28 2HB LEU 28 1.531 4.843 5.504 204 HB3 LEU 28 1HB LEU 28 2.666 5.348 6.733 205 HG LEU 28 HG LEU 28 3.214 3.518 4.406 206 HD11 LEU 28 1HD1 LEU 28 4.164 6.192 5.202 207 HD12 LEU 28 2HD1 LEU 28 3.039 5.825 3.885 208 HD13 LEU 28 3HD1 LEU 28 4.737 5.307 3.765 209 HD21 LEU 28 3HD2 LEU 28 5.088 4.376 6.618 210 HD22 LEU 28 1HD2 LEU 28 5.533 3.478 5.168 211 HD23 LEU 28 2HD2 LEU 28 4.472 2.741 6.358 212 H LEU 29 H LEU 29 2.203 3.980 9.243 213 HA LEU 29 HA LEU 29 -0.639 4.562 9.764 214 HB2 LEU 29 2HB LEU 29 0.933 2.549 11.352 215 HB3 LEU 29 1HB LEU 29 -0.641 3.150 11.791 216 HG LEU 29 HG LEU 29 0.028 1.477 9.393 217 HD11 LEU 29 1HD1 LEU 29 -1.271 -0.261 10.574 218 HD12 LEU 29 2HD1 LEU 29 -1.436 0.826 11.950 219 HD13 LEU 29 3HD1 LEU 29 0.156 0.236 11.482 220 HD21 LEU 29 3HD2 LEU 29 -1.840 2.943 8.884 221 HD22 LEU 29 1HD2 LEU 29 -2.651 2.469 10.379 222 HD23 LEU 29 2HD2 LEU 29 -2.417 1.289 9.094 223 H ILE 30 H ILE 30 -0.943 5.428 11.969 224 HA ILE 30 HA ILE 30 1.224 7.169 12.754 225 HB ILE 30 HB ILE 30 -1.367 6.625 14.270 226 HG12 ILE 30 2HG1 ILE 30 -0.727 8.846 12.303 227 HG13 ILE 30 1HG1 ILE 30 -1.804 7.494 11.991 228 HG21 ILE 30 1HG2 ILE 30 0.422 7.625 15.621 229 HG22 ILE 30 2HG2 ILE 30 -0.875 8.804 15.355 230 HG23 ILE 30 3HG2 ILE 30 0.629 8.896 14.431 231 HD11 ILE 30 3HD1 ILE 30 -3.033 9.535 12.519 232 HD12 ILE 30 1HD1 ILE 30 -2.210 9.630 14.072 233 HD13 ILE 30 2HD1 ILE 30 -3.314 8.293 13.741 234 H LYS 31 H LYS 31 -0.235 4.181 13.669 235 HA LYS 31 HA LYS 31 0.970 3.540 16.052 236 HB2 LYS 31 2HB LYS 31 0.298 1.811 13.720 237 HB3 LYS 31 1HB LYS 31 0.840 1.179 15.275 238 HG2 LYS 31 2HG LYS 31 -0.999 2.463 16.331 239 HG3 LYS 31 1HG LYS 31 -1.601 2.805 14.710 240 HD2 LYS 31 2HD LYS 31 -1.884 0.501 14.269 241 HD3 LYS 31 1HD LYS 31 -1.093 0.065 15.789 242 HE2 LYS 31 2HE LYS 31 -3.314 -0.127 16.178 243 HE3 LYS 31 1HE LYS 31 -2.829 1.343 16.958 244 HZ1 LYS 31 3HZ LYS 31 -3.724 2.655 15.106 245 HZ2 LYS 31 1HZ LYS 31 -4.910 1.719 15.831 246 HZ3 LYS 31 2HZ LYS 31 -4.279 1.267 14.342 247 H ASP 32 H ASP 32 2.117 3.238 12.747 248 HA ASP 32 HA ASP 32 4.718 2.259 13.412 249 HB2 ASP 32 2HB ASP 32 3.779 1.804 11.210 250 HB3 ASP 32 1HB ASP 32 3.624 3.528 10.886 251 H GLY 33 H GLY 33 3.555 5.393 12.093 252 HA2 GLY 33 2HA GLY 33 4.232 7.144 13.860 253 HA3 GLY 33 1HA GLY 33 5.849 6.670 13.414 254 H CYS 34 H CYS 34 2.885 8.201 12.383 255 HA CYS 34 HA CYS 34 4.242 10.217 11.041 256 HB2 CYS 34 2HB CYS 34 4.237 8.299 9.288 257 HB3 CYS 34 1HB CYS 34 2.491 8.503 9.245 258 H ARG 35 H ARG 35 2.299 11.624 9.956 259 HA ARG 35 HA ARG 35 0.462 11.748 12.207 260 HB2 ARG 35 2HB ARG 35 -0.131 13.980 11.494 261 HB3 ARG 35 1HB ARG 35 1.607 13.800 11.584 262 HG2 ARG 35 2HG ARG 35 1.708 13.613 9.134 263 HG3 ARG 35 1HG ARG 35 -0.046 13.789 9.058 264 HD2 ARG 35 2HD ARG 35 0.147 15.985 10.163 265 HD3 ARG 35 1HD ARG 35 1.903 15.817 10.155 266 HE ARG 35 HE ARG 35 0.812 15.542 7.557 267 HH11 ARG 35 1HH1 ARG 35 1.593 17.993 9.994 268 HH12 ARG 35 2HH1 ARG 35 1.804 19.254 8.880 269 HH21 ARG 35 1HH2 ARG 35 1.073 17.295 6.001 270 HH22 ARG 35 2HH2 ARG 35 1.491 18.851 6.544 271 H VAL 36 H VAL 36 0.207 10.243 9.299 272 HA VAL 36 HA VAL 36 -2.629 10.127 9.636 273 HB VAL 36 HB VAL 36 -2.611 11.969 8.095 274 HG11 VAL 36 1HG1 VAL 36 -1.480 11.916 5.937 275 HG12 VAL 36 2HG1 VAL 36 -0.758 10.367 6.366 276 HG13 VAL 36 3HG1 VAL 36 -0.356 11.810 7.295 277 HG21 VAL 36 3HG2 VAL 36 -3.693 11.057 6.064 278 HG22 VAL 36 1HG2 VAL 36 -4.321 10.318 7.545 279 HG23 VAL 36 2HG2 VAL 36 -3.169 9.451 6.523 280 HA PRO 37 HA PRO 37 -1.476 5.988 8.558 281 HB2 PRO 37 2HB PRO 37 -3.665 4.764 9.477 282 HB3 PRO 37 1HB PRO 37 -2.478 5.477 10.572 283 HG2 PRO 37 2HG PRO 37 -5.169 6.477 9.802 284 HG3 PRO 37 1HG PRO 37 -4.291 6.657 11.328 285 HD2 PRO 37 2HD PRO 37 -4.489 8.578 9.267 286 HD3 PRO 37 1HD PRO 37 -3.401 8.615 10.672 287 H ALA 38 H ALA 38 -1.614 4.979 6.683 288 HA ALA 38 HA ALA 38 -3.950 4.304 5.311 289 HB1 ALA 38 1HB ALA 38 -2.398 6.621 4.122 290 HB2 ALA 38 2HB ALA 38 -4.051 6.693 4.734 291 HB3 ALA 38 3HB ALA 38 -3.680 5.722 3.308 292 H VAL 39 H VAL 39 -3.387 2.937 3.543 293 HA VAL 39 HA VAL 39 -0.542 2.342 3.521 294 HB VAL 39 HB VAL 39 -2.005 0.385 3.989 295 HG11 VAL 39 1HG1 VAL 39 -4.013 1.059 2.779 296 HG12 VAL 39 2HG1 VAL 39 -3.446 -0.551 2.298 297 HG13 VAL 39 3HG1 VAL 39 -3.145 0.822 1.248 298 HG21 VAL 39 3HG2 VAL 39 -1.142 -1.151 2.304 299 HG22 VAL 39 1HG2 VAL 39 0.103 -0.023 2.840 300 HG23 VAL 39 2HG2 VAL 39 -0.694 0.214 1.284 301 H VAL 40 H VAL 40 0.655 2.860 1.809 302 HA VAL 40 HA VAL 40 -0.817 4.107 -0.302 303 HB VAL 40 HB VAL 40 1.144 5.138 -0.995 304 HG11 VAL 40 1HG1 VAL 40 1.986 6.345 0.966 305 HG12 VAL 40 2HG1 VAL 40 1.144 5.184 1.995 306 HG13 VAL 40 3HG1 VAL 40 0.232 6.208 0.877 307 HG21 VAL 40 3HG2 VAL 40 2.694 3.295 0.783 308 HG22 VAL 40 1HG2 VAL 40 3.412 4.721 -0.013 309 HG23 VAL 40 2HG2 VAL 40 2.710 3.423 -0.982 310 H PHE 41 H PHE 41 -1.174 3.136 -2.065 311 HA PHE 41 HA PHE 41 0.315 0.718 -2.651 312 HB2 PHE 41 2HB PHE 41 -2.298 1.753 -3.714 313 HB3 PHE 41 1HB PHE 41 -1.439 0.421 -4.466 314 HD1 PHE 41 2HD PHE 41 -0.510 -1.142 -2.213 315 HD2 PHE 41 1HD PHE 41 -4.198 0.897 -2.730 316 HE1 PHE 41 2HE PHE 41 -1.577 -2.740 -0.717 317 HE2 PHE 41 1HE PHE 41 -5.282 -0.698 -1.229 318 HZ PHE 41 HZ PHE 41 -3.949 -2.557 -0.226 319 H THR 42 H THR 42 2.026 0.978 -3.806 320 HA THR 42 HA THR 42 2.280 3.166 -5.630 321 HB THR 42 HB THR 42 4.048 0.791 -5.007 322 HG1 THR 42 1HG THR 42 4.582 3.479 -4.453 323 HG21 THR 42 3HG2 THR 42 5.821 2.009 -6.213 324 HG22 THR 42 1HG2 THR 42 4.646 3.229 -6.713 325 HG23 THR 42 2HG2 THR 42 4.494 1.557 -7.280 326 H THR 43 H THR 43 1.009 3.001 -7.358 327 HA THR 43 HA THR 43 0.238 0.545 -8.523 328 HB THR 43 HB THR 43 -0.703 1.977 -10.316 329 HG1 THR 43 1HG THR 43 -0.563 4.293 -9.763 330 HG21 THR 43 3HG2 THR 43 -1.222 2.961 -7.503 331 HG22 THR 43 1HG2 THR 43 -1.977 1.553 -8.249 332 HG23 THR 43 2HG2 THR 43 -2.306 3.170 -8.876 333 H LEU 44 H LEU 44 0.630 0.069 -10.933 334 HA LEU 44 HA LEU 44 3.307 -0.331 -11.469 335 HB2 LEU 44 2HB LEU 44 0.953 -0.176 -13.340 336 HB3 LEU 44 1HB LEU 44 2.514 -0.855 -13.722 337 HG LEU 44 HG LEU 44 0.585 -1.931 -11.667 338 HD11 LEU 44 1HD1 LEU 44 -0.203 -2.284 -13.931 339 HD12 LEU 44 2HD1 LEU 44 0.315 -3.805 -13.206 340 HD13 LEU 44 3HD1 LEU 44 1.350 -2.989 -14.377 341 HD21 LEU 44 3HD2 LEU 44 2.894 -2.371 -11.016 342 HD22 LEU 44 1HD2 LEU 44 3.233 -3.023 -12.623 343 HD23 LEU 44 2HD2 LEU 44 2.108 -3.855 -11.554 344 H ARG 45 H ARG 45 1.185 2.278 -12.149 345 HA ARG 45 HA ARG 45 2.683 3.741 -14.035 346 HB2 ARG 45 2HB ARG 45 0.346 4.193 -13.591 347 HB3 ARG 45 1HB ARG 45 0.720 4.657 -11.940 348 HG2 ARG 45 2HG ARG 45 0.316 6.608 -13.289 349 HG3 ARG 45 1HG ARG 45 2.002 6.559 -12.775 350 HD2 ARG 45 2HD ARG 45 2.619 5.663 -14.970 351 HD3 ARG 45 1HD ARG 45 0.931 5.765 -15.481 352 HE ARG 45 HE ARG 45 2.130 8.199 -14.498 353 HH11 ARG 45 1HH1 ARG 45 1.310 6.285 -17.346 354 HH12 ARG 45 2HH1 ARG 45 1.380 7.616 -18.417 355 HH21 ARG 45 1HH2 ARG 45 2.230 9.992 -15.975 356 HH22 ARG 45 2HH2 ARG 45 1.910 9.758 -17.624 357 H GLY 46 H GLY 46 3.036 3.352 -10.584 358 HA2 GLY 46 2HA GLY 46 5.089 3.900 -9.503 359 HA3 GLY 46 1HA GLY 46 5.333 5.185 -10.679 360 H ARG 47 H ARG 47 2.189 4.905 -9.373 361 HA ARG 47 HA ARG 47 2.664 7.367 -7.853 362 HB2 ARG 47 2HB ARG 47 0.149 6.164 -8.955 363 HB3 ARG 47 1HB ARG 47 0.177 7.593 -7.947 364 HG2 ARG 47 2HG ARG 47 1.557 8.709 -9.689 365 HG3 ARG 47 1HG ARG 47 1.403 7.258 -10.684 366 HD2 ARG 47 2HD ARG 47 -1.033 7.512 -10.660 367 HD3 ARG 47 1HD ARG 47 -0.866 8.978 -9.694 368 HE ARG 47 HE ARG 47 0.655 9.135 -12.070 369 HH11 ARG 47 1HH1 ARG 47 -2.642 9.441 -10.846 370 HH12 ARG 47 2HH1 ARG 47 -3.185 10.401 -12.140 371 HH21 ARG 47 1HH2 ARG 47 -0.102 10.469 -13.868 372 HH22 ARG 47 2HH2 ARG 47 -1.713 11.013 -13.878 373 H GLN 48 H GLN 48 2.677 7.241 -5.712 374 HA GLN 48 HA GLN 48 1.629 4.932 -4.326 375 HB2 GLN 48 2HB GLN 48 2.837 7.537 -3.335 376 HB3 GLN 48 1HB GLN 48 2.224 6.313 -2.252 377 HG2 GLN 48 2HG GLN 48 4.629 6.200 -2.377 378 HG3 GLN 48 1HG GLN 48 3.929 4.749 -3.072 379 HE21 GLN 48 1HE2 GLN 48 5.659 7.685 -3.691 380 HE22 GLN 48 2HE2 GLN 48 6.195 7.256 -5.279 381 H LEU 49 H LEU 49 -0.480 4.775 -3.998 382 HA LEU 49 HA LEU 49 -2.004 7.295 -3.756 383 HB2 LEU 49 2HB LEU 49 -2.319 5.711 -5.808 384 HB3 LEU 49 1HB LEU 49 -3.182 4.685 -4.693 385 HG LEU 49 HG LEU 49 -4.718 5.994 -6.057 386 HD11 LEU 49 1HD1 LEU 49 -6.131 7.012 -4.404 387 HD12 LEU 49 2HD1 LEU 49 -4.816 6.956 -3.236 388 HD13 LEU 49 3HD1 LEU 49 -5.503 5.458 -3.851 389 HD21 LEU 49 3HD2 LEU 49 -3.314 7.887 -6.551 390 HD22 LEU 49 1HD2 LEU 49 -3.418 8.432 -4.877 391 HD23 LEU 49 2HD2 LEU 49 -4.859 8.415 -5.894 392 H CYS 50 H CYS 50 -3.530 7.442 -2.120 393 HA CYS 50 HA CYS 50 -2.933 5.939 0.240 394 HB2 CYS 50 2HB CYS 50 -5.146 7.929 -0.178 395 HB3 CYS 50 1HB CYS 50 -4.264 7.538 1.296 396 H ALA 51 H ALA 51 -3.981 3.948 0.652 397 HA ALA 51 HA ALA 51 -6.829 3.938 0.047 398 HB1 ALA 51 1HB ALA 51 -6.845 1.670 -0.506 399 HB2 ALA 51 2HB ALA 51 -5.138 1.432 -0.066 400 HB3 ALA 51 3HB ALA 51 -5.595 2.424 -1.473 401 HA PRO 52 HA PRO 52 -7.739 3.327 4.178 402 HB2 PRO 52 2HB PRO 52 -10.031 1.948 4.206 403 HB3 PRO 52 1HB PRO 52 -9.947 3.574 3.526 404 HG2 PRO 52 2HG PRO 52 -9.922 0.927 2.123 405 HG3 PRO 52 1HG PRO 52 -10.791 2.387 1.655 406 HD2 PRO 52 2HD PRO 52 -8.461 1.514 0.611 407 HD3 PRO 52 1HD PRO 52 -8.942 3.209 0.562 408 HA PRO 53 HA PRO 53 -5.859 -0.721 5.189 409 HB2 PRO 53 2HB PRO 53 -5.036 -0.015 7.680 410 HB3 PRO 53 1HB PRO 53 -4.153 0.442 6.218 411 HG2 PRO 53 2HG PRO 53 -6.094 2.051 7.831 412 HG3 PRO 53 1HG PRO 53 -4.519 2.536 7.173 413 HD2 PRO 53 2HD PRO 53 -6.818 3.205 5.967 414 HD3 PRO 53 1HD PRO 53 -5.360 2.823 5.037 415 H ASP 54 H ASP 54 -8.603 0.781 6.303 416 HA ASP 54 HA ASP 54 -9.161 -1.224 8.387 417 HB2 ASP 54 2HB ASP 54 -10.707 1.274 7.695 418 HB3 ASP 54 1HB ASP 54 -11.068 0.166 9.010 419 H GLN 55 H GLN 55 -9.612 -0.858 5.131 420 HA GLN 55 HA GLN 55 -12.281 -1.991 5.266 421 HB2 GLN 55 2HB GLN 55 -10.884 -0.655 2.973 422 HB3 GLN 55 1HB GLN 55 -12.461 -1.418 2.868 423 HG2 GLN 55 2HG GLN 55 -11.783 0.867 4.703 424 HG3 GLN 55 1HG GLN 55 -12.605 1.027 3.154 425 HE21 GLN 55 1HE2 GLN 55 -12.877 -0.017 6.475 426 HE22 GLN 55 2HE2 GLN 55 -14.579 -0.199 6.480 427 HA PRO 56 HA PRO 56 -11.030 -6.123 4.497 428 HB2 PRO 56 2HB PRO 56 -13.476 -6.042 2.799 429 HB3 PRO 56 1HB PRO 56 -12.976 -7.249 3.988 430 HG2 PRO 56 2HG PRO 56 -14.816 -5.480 4.630 431 HG3 PRO 56 1HG PRO 56 -13.540 -5.881 5.793 432 HD2 PRO 56 2HD PRO 56 -13.864 -3.443 4.111 433 HD3 PRO 56 1HD PRO 56 -13.207 -3.636 5.755 434 H TRP 57 H TRP 57 -11.943 -4.119 1.717 435 HA TRP 57 HA TRP 57 -10.966 -5.978 -0.209 436 HB2 TRP 57 2HB TRP 57 -11.348 -4.331 -1.903 437 HB3 TRP 57 1HB TRP 57 -12.597 -4.043 -0.707 438 HD1 TRP 57 HD1 TRP 57 -12.351 -1.705 0.760 439 HE1 TRP 57 1HE TRP 57 -11.075 0.420 0.278 440 HE3 TRP 57 3HE TRP 57 -9.308 -3.430 -2.969 441 HZ2 TRP 57 2HZ TRP 57 -8.996 1.275 -1.445 442 HZ3 TRP 57 3HZ TRP 57 -7.699 -1.860 -3.971 443 HH2 TRP 57 HH2 TRP 57 -7.560 0.435 -3.221 444 H VAL 58 H VAL 58 -9.462 -3.458 1.656 445 HA VAL 58 HA VAL 58 -7.008 -3.528 0.170 446 HB VAL 58 HB VAL 58 -7.723 -2.229 2.835 447 HG11 VAL 58 1HG1 VAL 58 -5.129 -2.031 1.303 448 HG12 VAL 58 2HG1 VAL 58 -5.357 -2.876 2.836 449 HG13 VAL 58 3HG1 VAL 58 -5.559 -1.125 2.753 450 HG21 VAL 58 3HG2 VAL 58 -7.101 -1.053 0.122 451 HG22 VAL 58 1HG2 VAL 58 -7.446 -0.133 1.572 452 HG23 VAL 58 2HG2 VAL 58 -8.684 -1.147 0.864 453 H GLU 59 H GLU 59 -8.292 -4.836 3.123 454 HA GLU 59 HA GLU 59 -5.988 -6.010 4.139 455 HB2 GLU 59 2HB GLU 59 -8.846 -6.916 4.452 456 HB3 GLU 59 1HB GLU 59 -7.496 -7.438 5.453 457 HG2 GLU 59 2HG GLU 59 -7.149 -5.124 6.169 458 HG3 GLU 59 1HG GLU 59 -8.529 -4.626 5.201 459 H ARG 60 H ARG 60 -8.011 -7.053 1.553 460 HA ARG 60 HA ARG 60 -6.891 -9.741 1.545 461 HB2 ARG 60 2HB ARG 60 -8.206 -10.130 -0.534 462 HB3 ARG 60 1HB ARG 60 -9.185 -9.569 0.811 463 HG2 ARG 60 2HG ARG 60 -9.313 -7.379 -0.128 464 HG3 ARG 60 1HG ARG 60 -8.191 -7.825 -1.411 465 HD2 ARG 60 2HD ARG 60 -10.871 -9.130 -0.971 466 HD3 ARG 60 1HD ARG 60 -10.589 -7.808 -2.100 467 HE ARG 60 HE ARG 60 -8.753 -9.607 -2.857 468 HH11 ARG 60 1HH1 ARG 60 -12.207 -9.983 -2.233 469 HH12 ARG 60 2HH1 ARG 60 -12.470 -11.129 -3.450 470 HH21 ARG 60 1HH2 ARG 60 -9.092 -11.131 -4.562 471 HH22 ARG 60 2HH2 ARG 60 -10.629 -11.836 -4.813 472 H ILE 61 H ILE 61 -6.487 -6.871 -0.400 473 HA ILE 61 HA ILE 61 -4.733 -8.135 -2.245 474 HB ILE 61 HB ILE 61 -4.213 -5.755 -2.988 475 HG12 ILE 61 2HG1 ILE 61 -6.335 -5.185 -0.926 476 HG13 ILE 61 1HG1 ILE 61 -4.665 -4.640 -0.884 477 HG21 ILE 61 1HG2 ILE 61 -6.422 -5.520 -4.034 478 HG22 ILE 61 2HG2 ILE 61 -7.074 -6.706 -2.900 479 HG23 ILE 61 3HG2 ILE 61 -5.841 -7.184 -4.062 480 HD11 ILE 61 3HD1 ILE 61 -6.775 -3.854 -2.853 481 HD12 ILE 61 1HD1 ILE 61 -5.085 -3.325 -2.890 482 HD13 ILE 61 2HD1 ILE 61 -6.125 -2.858 -1.552 483 H ILE 62 H ILE 62 -4.204 -6.297 0.649 484 HA ILE 62 HA ILE 62 -1.436 -5.991 0.519 485 HB ILE 62 HB ILE 62 -3.176 -6.541 2.947 486 HG12 ILE 62 2HG1 ILE 62 -2.035 -3.966 1.851 487 HG13 ILE 62 1HG1 ILE 62 -3.718 -4.467 1.788 488 HG21 ILE 62 1HG2 ILE 62 -1.339 -5.666 4.321 489 HG22 ILE 62 2HG2 ILE 62 -0.312 -5.599 2.889 490 HG23 ILE 62 3HG2 ILE 62 -0.893 -7.153 3.484 491 HD11 ILE 62 3HD1 ILE 62 -3.851 -4.368 4.218 492 HD12 ILE 62 1HD1 ILE 62 -3.322 -2.820 3.552 493 HD13 ILE 62 2HD1 ILE 62 -2.154 -3.908 4.296 494 H GLN 63 H GLN 63 -3.369 -8.764 1.459 495 HA GLN 63 HA GLN 63 -1.339 -10.388 2.496 496 HB2 GLN 63 2HB GLN 63 -3.834 -11.280 1.062 497 HB3 GLN 63 1HB GLN 63 -2.834 -12.268 2.122 498 HG2 GLN 63 2HG GLN 63 -4.408 -9.838 2.901 499 HG3 GLN 63 1HG GLN 63 -4.796 -11.516 3.275 500 HE21 GLN 63 1HE2 GLN 63 -4.242 -9.165 4.979 501 HE22 GLN 63 2HE2 GLN 63 -2.987 -9.653 6.033 502 H ARG 64 H ARG 64 -2.574 -10.086 -0.775 503 HA ARG 64 HA ARG 64 -1.005 -12.085 -1.949 504 HB2 ARG 64 2HB ARG 64 -2.826 -11.157 -3.210 505 HB3 ARG 64 1HB ARG 64 -2.122 -9.546 -3.141 506 HG2 ARG 64 2HG ARG 64 -0.283 -10.253 -4.535 507 HG3 ARG 64 1HG ARG 64 -0.896 -11.902 -4.560 508 HD2 ARG 64 2HD ARG 64 -2.865 -11.196 -5.749 509 HD3 ARG 64 1HD ARG 64 -2.392 -9.503 -5.597 510 HE ARG 64 HE ARG 64 -0.295 -10.568 -6.855 511 HH11 ARG 64 1HH1 ARG 64 -3.707 -11.113 -7.548 512 HH12 ARG 64 2HH1 ARG 64 -3.562 -10.958 -9.230 513 HH21 ARG 64 1HH2 ARG 64 -0.053 -10.356 -9.147 514 HH22 ARG 64 2HH2 ARG 64 -1.391 -10.504 -10.187 515 H LEU 65 H LEU 65 -0.342 -8.570 -1.720 516 HA LEU 65 HA LEU 65 2.228 -8.921 -2.808 517 HB2 LEU 65 2HB LEU 65 1.070 -6.624 -1.263 518 HB3 LEU 65 1HB LEU 65 2.662 -6.596 -1.995 519 HG LEU 65 HG LEU 65 0.033 -6.851 -3.457 520 HD11 LEU 65 1HD1 LEU 65 0.387 -4.650 -2.595 521 HD12 LEU 65 2HD1 LEU 65 0.655 -4.615 -4.352 522 HD13 LEU 65 3HD1 LEU 65 2.019 -4.603 -3.251 523 HD21 LEU 65 3HD2 LEU 65 2.854 -6.706 -4.533 524 HD22 LEU 65 1HD2 LEU 65 1.389 -6.624 -5.504 525 HD23 LEU 65 2HD2 LEU 65 1.786 -8.100 -4.626 526 H GLN 66 H GLN 66 1.074 -9.212 0.474 527 HA GLN 66 HA GLN 66 3.643 -9.096 1.645 528 HB2 GLN 66 2HB GLN 66 1.134 -10.430 2.623 529 HB3 GLN 66 1HB GLN 66 2.630 -10.412 3.546 530 HG2 GLN 66 2HG GLN 66 2.586 -7.961 3.462 531 HG3 GLN 66 1HG GLN 66 1.018 -8.046 2.670 532 HE21 GLN 66 1HE2 GLN 66 0.166 -10.368 4.279 533 HE22 GLN 66 2HE2 GLN 66 -0.195 -9.730 5.836 534 H ARG 67 H ARG 67 2.114 -11.491 -0.188 535 HA ARG 67 HA ARG 67 3.715 -13.683 0.729 536 HB2 ARG 67 2HB ARG 67 2.262 -13.347 -1.907 537 HB3 ARG 67 1HB ARG 67 2.935 -14.847 -1.294 538 HG2 ARG 67 2HG ARG 67 0.760 -13.323 0.123 539 HG3 ARG 67 1HG ARG 67 0.428 -14.546 -1.089 540 HD2 ARG 67 2HD ARG 67 0.210 -15.444 1.178 541 HD3 ARG 67 1HD ARG 67 1.507 -16.237 0.306 542 HE ARG 67 HE ARG 67 3.052 -14.829 1.640 543 HH11 ARG 67 1HH1 ARG 67 -0.209 -15.372 2.919 544 HH12 ARG 67 2HH1 ARG 67 0.296 -15.275 4.548 545 HH21 ARG 67 1HH2 ARG 67 3.704 -14.734 3.846 546 HH22 ARG 67 2HH2 ARG 67 2.551 -14.903 5.086 547 H THR 68 H THR 68 3.998 -11.274 -1.832 548 HA THR 68 HA THR 68 6.428 -12.449 -2.776 549 HB THR 68 HB THR 68 6.505 -10.472 -4.275 550 HG1 THR 68 1HG THR 68 4.387 -9.326 -4.342 551 HG21 THR 68 3HG2 THR 68 3.936 -12.065 -4.293 552 HG22 THR 68 1HG2 THR 68 5.471 -12.550 -5.016 553 HG23 THR 68 2HG2 THR 68 4.582 -11.173 -5.670 554 H SER 69 H SER 69 5.513 -9.800 -0.806 555 HA SER 69 HA SER 69 8.078 -8.628 -0.597 556 HB2 SER 69 2HB SER 69 5.688 -8.424 1.235 557 HB3 SER 69 1HB SER 69 7.097 -7.366 1.230 558 HG SER 69 HG SER 69 5.211 -7.737 -0.849 559 H ALA 70 H ALA 70 6.632 -11.385 0.857 560 HA ALA 70 HA ALA 70 8.168 -11.439 3.254 561 HB1 ALA 70 1HB ALA 70 7.377 -13.723 3.469 562 HB2 ALA 70 2HB ALA 70 6.785 -13.677 1.811 563 HB3 ALA 70 3HB ALA 70 6.050 -12.640 3.040 564 H LYS 71 H LYS 71 8.597 -12.638 0.002 565 HA LYS 71 HA LYS 71 11.270 -13.405 0.810 566 HB2 LYS 71 2HB LYS 71 10.062 -15.372 0.325 567 HB3 LYS 71 1HB LYS 71 9.580 -14.802 -1.277 568 HG2 LYS 71 2HG LYS 71 11.958 -14.840 -1.963 569 HG3 LYS 71 1HG LYS 71 12.402 -15.428 -0.360 570 HD2 LYS 71 2HD LYS 71 10.571 -16.854 -2.292 571 HD3 LYS 71 1HD LYS 71 12.275 -17.236 -2.052 572 HE2 LYS 71 2HE LYS 71 11.836 -17.792 0.284 573 HE3 LYS 71 1HE LYS 71 10.144 -17.358 0.085 574 HZ1 LYS 71 3HZ LYS 71 9.910 -19.148 -1.506 575 HZ2 LYS 71 1HZ LYS 71 10.449 -19.728 -0.030 576 HZ3 LYS 71 2HZ LYS 71 11.534 -19.574 -1.320 577 H MET 72 H MET 72 11.804 -11.473 0.499 578 HA MET 72 HA MET 72 13.029 -10.664 -1.864 579 HB2 MET 72 2HB MET 72 10.654 -10.191 -2.588 580 HB3 MET 72 1HB MET 72 10.450 -9.179 -1.172 581 HG2 MET 72 2HG MET 72 10.807 -7.831 -3.156 582 HG3 MET 72 1HG MET 72 12.147 -7.650 -2.025 583 HE1 MET 72 3HE MET 72 13.898 -7.268 -5.494 584 HE2 MET 72 1HE MET 72 13.657 -6.556 -3.901 585 HE3 MET 72 2HE MET 72 12.301 -6.690 -5.022 586 H LYS 73 H LYS 73 13.971 -8.418 -1.377 587 HA LYS 73 HA LYS 73 14.748 -8.275 1.335 588 HB2 LYS 73 2HB LYS 73 16.115 -7.480 -0.545 589 HB3 LYS 73 1HB LYS 73 14.972 -6.175 -0.835 590 HG2 LYS 73 2HG LYS 73 15.505 -5.290 1.420 591 HG3 LYS 73 1HG LYS 73 16.696 -6.578 1.598 592 HD2 LYS 73 2HD LYS 73 16.727 -4.448 -0.544 593 HD3 LYS 73 1HD LYS 73 17.746 -4.477 0.893 594 HE2 LYS 73 2HE LYS 73 18.760 -6.583 0.121 595 HE3 LYS 73 1HE LYS 73 17.730 -6.559 -1.301 596 HZ1 LYS 73 3HZ LYS 73 19.776 -4.519 -0.622 597 HZ2 LYS 73 1HZ LYS 73 18.799 -4.509 -1.998 598 HZ3 LYS 73 2HZ LYS 73 19.933 -5.726 -1.790 599 H ARG 74 H ARG 74 13.876 -7.169 2.996 600 HA ARG 74 HA ARG 74 11.229 -6.149 2.616 601 HB2 ARG 74 2HB ARG 74 11.110 -6.018 5.049 602 HB3 ARG 74 1HB ARG 74 11.738 -7.566 4.533 603 HG2 ARG 74 2HG ARG 74 14.044 -6.627 5.014 604 HG3 ARG 74 1HG ARG 74 13.210 -5.294 5.817 605 HD2 ARG 74 2HD ARG 74 13.763 -6.986 7.460 606 HD3 ARG 74 1HD ARG 74 12.011 -6.943 7.227 607 HE ARG 74 HE ARG 74 13.605 -8.839 5.705 608 HH11 ARG 74 1HH1 ARG 74 11.175 -8.313 8.226 609 HH12 ARG 74 2HH1 ARG 74 10.699 -9.945 8.320 610 HH21 ARG 74 1HH2 ARG 74 12.965 -11.096 5.844 611 HH22 ARG 74 2HH2 ARG 74 11.759 -11.583 6.931 612 H ARG 75 H ARG 75 10.469 -4.141 2.955 613 HA ARG 75 HA ARG 75 12.348 -2.089 2.159 614 HB2 ARG 75 2HB ARG 75 10.283 -2.326 0.923 615 HB3 ARG 75 1HB ARG 75 9.342 -2.070 2.380 616 HG2 ARG 75 2HG ARG 75 9.306 -0.066 1.049 617 HG3 ARG 75 1HG ARG 75 10.230 0.227 2.516 618 HD2 ARG 75 2HD ARG 75 12.315 -0.066 1.258 619 HD3 ARG 75 1HD ARG 75 11.387 -0.358 -0.215 620 HE ARG 75 HE ARG 75 10.813 2.115 1.152 621 HH11 ARG 75 1HH1 ARG 75 12.708 0.577 -1.399 622 HH12 ARG 75 2HH1 ARG 75 13.061 2.029 -2.213 623 HH21 ARG 75 1HH2 ARG 75 11.302 4.142 0.013 624 HH22 ARG 75 2HH2 ARG 75 12.253 4.071 -1.402 625 H SER 76 H SER 76 10.307 -2.783 4.945 626 HA SER 76 HA SER 76 10.545 -0.167 6.051 627 HB2 SER 76 2HB SER 76 9.580 -2.724 7.323 628 HB3 SER 76 1HB SER 76 9.346 -1.094 7.959 629 HG SER 76 HG SER 76 8.226 -0.600 6.043 630 H SER 77 H SER 77 12.906 -2.424 5.810 631 HA SER 77 HA SER 77 14.355 -1.208 7.961 632 HB2 SER 77 2HB SER 77 13.961 -4.216 7.849 633 HB3 SER 77 1HB SER 77 15.100 -3.387 8.915 634 HG SER 77 HG SER 77 12.830 -2.178 9.160 Start of MODEL 16 1 H1 GLY 1 1HT GLY 1 6.686 18.685 -8.177 2 H2 GLY 1 2HT GLY 1 5.502 17.697 -8.776 3 H3 GLY 1 3HT GLY 1 5.984 19.044 -9.686 4 HA2 GLY 1 1HA GLY 1 6.911 17.038 -10.627 5 HA3 GLY 1 2HA GLY 1 8.201 17.980 -9.884 6 H THR 2 H THR 2 9.347 17.088 -8.199 7 HA THR 2 HA THR 2 8.204 14.753 -6.944 8 HB THR 2 HB THR 2 11.053 14.878 -7.993 9 HG1 THR 2 1HG THR 2 9.031 14.413 -9.312 10 HG21 THR 2 3HG2 THR 2 10.908 13.642 -5.854 11 HG22 THR 2 1HG2 THR 2 11.219 12.537 -7.190 12 HG23 THR 2 2HG2 THR 2 9.598 12.660 -6.506 13 H ASN 3 H ASN 3 7.694 16.262 -5.392 14 HA ASN 3 HA ASN 3 9.808 16.597 -3.434 15 HB2 ASN 3 2HB ASN 3 7.846 18.794 -4.211 16 HB3 ASN 3 1HB ASN 3 8.885 18.839 -2.799 17 HD21 ASN 3 1HD2 ASN 3 11.094 19.222 -3.079 18 HD22 ASN 3 2HD2 ASN 3 11.723 19.874 -4.544 19 H ASP 4 H ASP 4 8.925 14.872 -2.438 20 HA ASP 4 HA ASP 4 6.110 14.947 -1.765 21 HB2 ASP 4 2HB ASP 4 8.197 12.825 -1.230 22 HB3 ASP 4 1HB ASP 4 6.511 12.704 -0.741 23 H ALA 5 H ALA 5 5.660 16.305 -0.266 24 HA ALA 5 HA ALA 5 7.392 16.567 2.035 25 HB1 ALA 5 1HB ALA 5 5.951 18.447 2.678 26 HB2 ALA 5 2HB ALA 5 4.869 18.069 1.337 27 HB3 ALA 5 3HB ALA 5 6.514 18.621 1.016 28 H GLU 6 H GLU 6 4.766 14.952 1.031 29 HA GLU 6 HA GLU 6 3.870 14.402 3.744 30 HB2 GLU 6 2HB GLU 6 1.886 13.278 2.732 31 HB3 GLU 6 1HB GLU 6 2.002 14.981 2.337 32 HG2 GLU 6 2HG GLU 6 2.936 12.810 0.502 33 HG3 GLU 6 1HG GLU 6 1.269 13.373 0.499 34 H ASP 7 H ASP 7 4.593 12.741 4.716 35 HA ASP 7 HA ASP 7 5.945 10.637 3.243 36 HB2 ASP 7 2HB ASP 7 7.000 11.457 5.308 37 HB3 ASP 7 1HB ASP 7 5.571 10.998 6.223 38 H CYS 8 H CYS 8 3.514 10.768 5.646 39 HA CYS 8 HA CYS 8 2.385 8.299 4.636 40 HB2 CYS 8 2HB CYS 8 0.727 8.515 6.478 41 HB3 CYS 8 1HB CYS 8 2.380 8.548 7.064 42 H CYS 9 H CYS 9 0.265 8.181 3.772 43 HA CYS 9 HA CYS 9 -0.133 10.347 1.937 44 HB2 CYS 9 2HB CYS 9 -0.392 7.759 1.628 45 HB3 CYS 9 1HB CYS 9 -2.010 8.103 2.293 46 H LEU 10 H LEU 10 -1.953 11.674 1.824 47 HA LEU 10 HA LEU 10 -2.792 12.505 4.383 48 HB2 LEU 10 2HB LEU 10 -3.591 13.555 1.701 49 HB3 LEU 10 1HB LEU 10 -3.979 14.312 3.231 50 HG LEU 10 HG LEU 10 -1.231 13.934 2.056 51 HD11 LEU 10 1HD1 LEU 10 -2.828 16.411 2.648 52 HD12 LEU 10 2HD1 LEU 10 -2.521 15.735 1.050 53 HD13 LEU 10 3HD1 LEU 10 -1.186 16.370 2.015 54 HD21 LEU 10 3HD2 LEU 10 -0.418 15.152 4.017 55 HD22 LEU 10 1HD2 LEU 10 -1.152 13.607 4.452 56 HD23 LEU 10 2HD2 LEU 10 -2.044 15.106 4.711 57 H SER 11 H SER 11 -4.702 10.885 1.854 58 HA SER 11 HA SER 11 -6.832 10.405 3.761 59 HB2 SER 11 2HB SER 11 -7.415 12.454 1.595 60 HB3 SER 11 1HB SER 11 -8.594 11.773 2.713 61 HG SER 11 HG SER 11 -6.677 12.674 4.193 62 H VAL 12 H VAL 12 -8.179 8.748 3.053 63 HA VAL 12 HA VAL 12 -7.602 7.855 0.313 64 HB VAL 12 HB VAL 12 -7.864 5.689 0.913 65 HG11 VAL 12 1HG1 VAL 12 -6.025 6.304 2.196 66 HG12 VAL 12 2HG1 VAL 12 -6.964 5.165 3.147 67 HG13 VAL 12 3HG1 VAL 12 -7.048 6.881 3.524 68 HG21 VAL 12 3HG2 VAL 12 -9.728 6.355 3.218 69 HG22 VAL 12 1HG2 VAL 12 -9.219 4.739 2.678 70 HG23 VAL 12 2HG2 VAL 12 -10.154 5.751 1.599 71 H THR 13 H THR 13 -9.417 6.960 -0.856 72 HA THR 13 HA THR 13 -11.895 8.339 -0.140 73 HB THR 13 HB THR 13 -11.045 9.028 -2.374 74 HG1 THR 13 1HG THR 13 -12.987 8.044 -3.603 75 HG21 THR 13 3HG2 THR 13 -9.874 6.961 -2.950 76 HG22 THR 13 1HG2 THR 13 -10.973 7.456 -4.244 77 HG23 THR 13 2HG2 THR 13 -11.413 6.140 -3.151 78 H GLN 14 H GLN 14 -13.814 6.992 -1.290 79 HA GLN 14 HA GLN 14 -14.400 4.876 0.411 80 HB2 GLN 14 2HB GLN 14 -15.438 5.316 -2.384 81 HB3 GLN 14 1HB GLN 14 -16.185 4.286 -1.172 82 HG2 GLN 14 2HG GLN 14 -16.607 6.177 0.241 83 HG3 GLN 14 1HG GLN 14 -15.753 7.239 -0.871 84 HE21 GLN 14 1HE2 GLN 14 -18.492 7.297 0.077 85 HE22 GLN 14 2HE2 GLN 14 -19.486 7.274 -1.334 86 H LYS 15 H LYS 15 -13.037 4.719 -2.855 87 HA LYS 15 HA LYS 15 -11.531 2.467 -2.050 88 HB2 LYS 15 2HB LYS 15 -13.638 1.415 -2.895 89 HB3 LYS 15 1HB LYS 15 -13.322 2.179 -4.450 90 HG2 LYS 15 2HG LYS 15 -11.223 1.003 -4.631 91 HG3 LYS 15 1HG LYS 15 -11.506 0.250 -3.070 92 HD2 LYS 15 2HD LYS 15 -12.091 -1.305 -4.901 93 HD3 LYS 15 1HD LYS 15 -13.525 -0.860 -3.968 94 HE2 LYS 15 2HE LYS 15 -14.143 0.773 -5.662 95 HE3 LYS 15 1HE LYS 15 -12.679 0.400 -6.573 96 HZ1 LYS 15 3HZ LYS 15 -14.903 -1.470 -6.006 97 HZ2 LYS 15 1HZ LYS 15 -13.531 -1.834 -6.920 98 HZ3 LYS 15 2HZ LYS 15 -14.648 -0.688 -7.466 99 HA PRO 16 HA PRO 16 -9.057 5.642 -4.260 100 HB2 PRO 16 2HB PRO 16 -6.795 3.927 -3.863 101 HB3 PRO 16 1HB PRO 16 -7.241 5.385 -2.992 102 HG2 PRO 16 2HG PRO 16 -7.811 2.538 -2.233 103 HG3 PRO 16 1HG PRO 16 -7.527 3.951 -1.256 104 HD2 PRO 16 2HD PRO 16 -9.893 2.976 -1.442 105 HD3 PRO 16 1HD PRO 16 -9.567 4.709 -1.454 106 H ILE 17 H ILE 17 -7.993 2.266 -4.995 107 HA ILE 17 HA ILE 17 -8.492 2.765 -7.810 108 HB ILE 17 HB ILE 17 -6.268 2.078 -8.534 109 HG12 ILE 17 2HG1 ILE 17 -5.454 0.791 -6.600 110 HG13 ILE 17 1HG1 ILE 17 -4.276 1.991 -7.092 111 HG21 ILE 17 1HG2 ILE 17 -6.221 4.562 -6.931 112 HG22 ILE 17 2HG2 ILE 17 -6.629 4.351 -8.628 113 HG23 ILE 17 3HG2 ILE 17 -4.964 4.103 -8.087 114 HD11 ILE 17 3HD1 ILE 17 -6.116 2.144 -4.704 115 HD12 ILE 17 1HD1 ILE 17 -4.966 3.394 -5.186 116 HD13 ILE 17 2HD1 ILE 17 -4.384 1.808 -4.690 117 HA PRO 18 HA PRO 18 -9.109 -1.674 -7.939 118 HB2 PRO 18 2HB PRO 18 -7.196 -1.830 -10.209 119 HB3 PRO 18 1HB PRO 18 -8.882 -2.358 -10.126 120 HG2 PRO 18 2HG PRO 18 -8.174 -0.187 -11.501 121 HG3 PRO 18 1HG PRO 18 -9.705 -0.250 -10.605 122 HD2 PRO 18 2HD PRO 18 -7.143 1.094 -9.938 123 HD3 PRO 18 1HD PRO 18 -8.807 1.651 -9.653 124 H GLY 19 H GLY 19 -8.137 -3.169 -6.745 125 HA2 GLY 19 2HA GLY 19 -5.591 -2.599 -5.623 126 HA3 GLY 19 1HA GLY 19 -6.647 -3.934 -5.227 127 H TYR 20 H TYR 20 -6.167 -4.154 -8.454 128 HA TYR 20 HA TYR 20 -3.990 -6.002 -7.996 129 HB2 TYR 20 2HB TYR 20 -5.864 -5.762 -10.342 130 HB3 TYR 20 1HB TYR 20 -4.526 -6.898 -10.200 131 HD1 TYR 20 1HD TYR 20 -4.575 -8.578 -8.310 132 HD2 TYR 20 2HD TYR 20 -7.960 -6.281 -9.434 133 HE1 TYR 20 1HE TYR 20 -6.039 -10.197 -7.177 134 HE2 TYR 20 2HE TYR 20 -9.439 -7.895 -8.306 135 HH TYR 20 HH TYR 20 -8.242 -10.339 -6.220 136 H ILE 21 H ILE 21 -4.309 -2.829 -9.062 137 HA ILE 21 HA ILE 21 -2.162 -3.100 -11.033 138 HB ILE 21 HB ILE 21 -2.483 -0.731 -11.583 139 HG12 ILE 21 2HG1 ILE 21 -4.607 -0.695 -9.412 140 HG13 ILE 21 1HG1 ILE 21 -3.028 0.070 -9.286 141 HG21 ILE 21 1HG2 ILE 21 -4.785 -0.827 -12.432 142 HG22 ILE 21 2HG2 ILE 21 -5.090 -2.225 -11.406 143 HG23 ILE 21 3HG2 ILE 21 -3.900 -2.331 -12.705 144 HD11 ILE 21 3HD1 ILE 21 -5.204 0.781 -11.245 145 HD12 ILE 21 1HD1 ILE 21 -3.611 1.536 -11.167 146 HD13 ILE 21 2HD1 ILE 21 -4.730 1.704 -9.816 147 H VAL 22 H VAL 22 -2.216 -3.043 -7.900 148 HA VAL 22 HA VAL 22 -0.050 -1.175 -7.446 149 HB VAL 22 HB VAL 22 -1.684 -1.007 -5.750 150 HG11 VAL 22 1HG1 VAL 22 -2.911 -2.973 -6.067 151 HG12 VAL 22 2HG1 VAL 22 -2.393 -2.901 -4.385 152 HG13 VAL 22 3HG1 VAL 22 -1.573 -3.993 -5.510 153 HG21 VAL 22 3HG2 VAL 22 0.573 -2.690 -4.704 154 HG22 VAL 22 1HG2 VAL 22 -0.519 -1.715 -3.726 155 HG23 VAL 22 2HG2 VAL 22 0.558 -0.936 -4.883 156 H ARG 23 H ARG 23 1.903 -1.529 -6.978 157 HA ARG 23 HA ARG 23 3.075 -4.040 -7.860 158 HB2 ARG 23 2HB ARG 23 3.875 -1.581 -8.421 159 HB3 ARG 23 1HB ARG 23 4.394 -1.586 -6.781 160 HG2 ARG 23 2HG ARG 23 5.920 -3.403 -7.134 161 HG3 ARG 23 1HG ARG 23 5.407 -3.535 -8.818 162 HD2 ARG 23 2HD ARG 23 6.129 -1.198 -9.174 163 HD3 ARG 23 1HD ARG 23 6.723 -1.155 -7.519 164 HE ARG 23 HE ARG 23 7.795 -3.307 -9.080 165 HH11 ARG 23 1HH1 ARG 23 8.265 0.069 -8.128 166 HH12 ARG 23 2HH1 ARG 23 9.885 0.140 -8.634 167 HH21 ARG 23 1HH2 ARG 23 10.012 -3.222 -9.749 168 HH22 ARG 23 2HH2 ARG 23 10.910 -1.791 -9.584 169 H ASN 24 H ASN 24 3.316 -1.807 -5.106 170 HA ASN 24 HA ASN 24 3.560 -3.948 -3.189 171 HB2 ASN 24 2HB ASN 24 5.735 -1.849 -3.550 172 HB3 ASN 24 1HB ASN 24 5.567 -2.843 -2.112 173 HD21 ASN 24 1HD2 ASN 24 6.046 -5.066 -2.254 174 HD22 ASN 24 2HD2 ASN 24 6.989 -5.702 -3.537 175 H PHE 25 H PHE 25 3.702 -2.835 -0.928 176 HA PHE 25 HA PHE 25 2.109 -0.383 -0.940 177 HB2 PHE 25 2HB PHE 25 0.441 -1.390 0.535 178 HB3 PHE 25 1HB PHE 25 0.511 -2.241 -0.993 179 HD1 PHE 25 1HD PHE 25 1.528 -4.462 -1.184 180 HD2 PHE 25 2HD PHE 25 1.090 -2.545 2.585 181 HE1 PHE 25 1HE PHE 25 1.967 -6.598 -0.058 182 HE2 PHE 25 2HE PHE 25 1.536 -4.682 3.719 183 HZ PHE 25 HZ PHE 25 1.977 -6.711 2.391 184 H HIS 26 H HIS 26 2.097 0.659 1.150 185 HA HIS 26 HA HIS 26 4.004 -0.433 3.113 186 HB2 HIS 26 2HB HIS 26 3.975 2.492 2.250 187 HB3 HIS 26 1HB HIS 26 4.941 1.827 3.546 188 HD1 HIS 26 1HD HIS 26 5.820 3.282 0.731 189 HD2 HIS 26 2HD HIS 26 6.246 -0.701 1.831 190 HE1 HIS 26 1HE HIS 26 7.674 2.382 -0.685 191 HE2 HIS 26 2HE HIS 26 7.662 -0.080 -0.205 192 H TYR 27 H TYR 27 3.057 -0.588 5.057 193 HA TYR 27 HA TYR 27 0.523 0.625 5.563 194 HB2 TYR 27 2HB TYR 27 2.376 -0.939 7.350 195 HB3 TYR 27 1HB TYR 27 0.812 -0.330 7.855 196 HD1 TYR 27 2HD TYR 27 -1.081 -0.934 6.030 197 HD2 TYR 27 1HD TYR 27 2.453 -3.136 6.828 198 HE1 TYR 27 2HE TYR 27 -2.164 -2.864 5.230 199 HE2 TYR 27 1HE TYR 27 1.374 -5.174 6.008 200 HH TYR 27 HH TYR 27 -0.828 -6.034 5.717 201 H LEU 28 H LEU 28 0.685 2.925 5.948 202 HA LEU 28 HA LEU 28 2.752 3.643 7.852 203 HB2 LEU 28 2HB LEU 28 1.362 5.335 5.812 204 HB3 LEU 28 1HB LEU 28 2.486 5.938 7.016 205 HG LEU 28 HG LEU 28 3.123 4.051 4.750 206 HD11 LEU 28 1HD1 LEU 28 4.537 5.903 4.037 207 HD12 LEU 28 2HD1 LEU 28 3.903 6.814 5.431 208 HD13 LEU 28 3HD1 LEU 28 2.809 6.331 4.126 209 HD21 LEU 28 3HD2 LEU 28 4.930 5.125 6.923 210 HD22 LEU 28 1HD2 LEU 28 5.450 4.221 5.500 211 HD23 LEU 28 2HD2 LEU 28 4.439 3.441 6.709 212 H LEU 29 H LEU 29 2.304 4.543 9.599 213 HA LEU 29 HA LEU 29 -0.543 5.060 10.287 214 HB2 LEU 29 2HB LEU 29 1.375 3.558 12.063 215 HB3 LEU 29 1HB LEU 29 -0.316 3.864 12.354 216 HG LEU 29 HG LEU 29 0.807 2.126 10.217 217 HD11 LEU 29 1HD1 LEU 29 -0.128 0.249 11.578 218 HD12 LEU 29 2HD1 LEU 29 -0.556 1.413 12.830 219 HD13 LEU 29 3HD1 LEU 29 1.137 1.140 12.425 220 HD21 LEU 29 3HD2 LEU 29 -1.328 3.052 9.533 221 HD22 LEU 29 1HD2 LEU 29 -2.062 2.567 11.065 222 HD23 LEU 29 2HD2 LEU 29 -1.537 1.342 9.909 223 H ILE 30 H ILE 30 -0.480 5.931 12.719 224 HA ILE 30 HA ILE 30 1.200 8.212 12.663 225 HB ILE 30 HB ILE 30 -0.540 7.196 14.946 226 HG12 ILE 30 2HG1 ILE 30 -1.045 9.334 12.857 227 HG13 ILE 30 1HG1 ILE 30 -1.797 7.750 12.885 228 HG21 ILE 30 1HG2 ILE 30 1.249 8.707 15.721 229 HG22 ILE 30 2HG2 ILE 30 -0.334 9.491 15.864 230 HG23 ILE 30 3HG2 ILE 30 0.770 9.905 14.544 231 HD11 ILE 30 3HD1 ILE 30 -3.304 9.463 13.704 232 HD12 ILE 30 1HD1 ILE 30 -2.133 9.921 14.940 233 HD13 ILE 30 2HD1 ILE 30 -2.897 8.333 14.998 234 H LYS 31 H LYS 31 1.495 5.022 13.991 235 HA LYS 31 HA LYS 31 3.587 5.766 15.699 236 HB2 LYS 31 2HB LYS 31 4.163 3.313 15.956 237 HB3 LYS 31 1HB LYS 31 2.556 3.783 16.422 238 HG2 LYS 31 2HG LYS 31 2.245 1.708 15.414 239 HG3 LYS 31 1HG LYS 31 1.843 2.810 14.120 240 HD2 LYS 31 2HD LYS 31 4.564 1.509 14.404 241 HD3 LYS 31 1HD LYS 31 3.230 0.775 13.529 242 HE2 LYS 31 2HE LYS 31 3.189 2.669 12.007 243 HE3 LYS 31 1HE LYS 31 4.489 3.435 12.913 244 HZ1 LYS 31 3HZ LYS 31 5.303 2.344 10.943 245 HZ2 LYS 31 1HZ LYS 31 4.646 0.877 11.435 246 HZ3 LYS 31 2HZ LYS 31 5.913 1.541 12.308 247 H ASP 32 H ASP 32 3.633 5.675 12.419 248 HA ASP 32 HA ASP 32 6.512 5.344 12.224 249 HB2 ASP 32 2HB ASP 32 4.513 6.445 10.228 250 HB3 ASP 32 1HB ASP 32 6.225 6.224 9.892 251 H GLY 33 H GLY 33 4.543 7.618 13.460 252 HA2 GLY 33 2HA GLY 33 5.027 9.641 14.355 253 HA3 GLY 33 1HA GLY 33 6.604 9.622 13.596 254 H CYS 34 H CYS 34 3.369 9.329 12.224 255 HA CYS 34 HA CYS 34 3.743 11.874 10.872 256 HB2 CYS 34 2HB CYS 34 4.405 9.843 9.427 257 HB3 CYS 34 1HB CYS 34 2.708 9.381 9.491 258 H ARG 35 H ARG 35 1.512 12.697 10.171 259 HA ARG 35 HA ARG 35 -0.203 12.080 12.445 260 HB2 ARG 35 2HB ARG 35 -0.204 14.434 10.591 261 HB3 ARG 35 1HB ARG 35 -1.281 14.241 11.963 262 HG2 ARG 35 2HG ARG 35 0.646 14.160 13.461 263 HG3 ARG 35 1HG ARG 35 1.714 14.384 12.078 264 HD2 ARG 35 2HD ARG 35 -0.386 16.317 13.041 265 HD3 ARG 35 1HD ARG 35 1.356 16.461 13.258 266 HE ARG 35 HE ARG 35 0.314 16.294 10.545 267 HH11 ARG 35 1HH1 ARG 35 1.756 18.297 13.100 268 HH12 ARG 35 2HH1 ARG 35 2.134 19.568 12.016 269 HH21 ARG 35 1HH2 ARG 35 0.840 18.056 9.131 270 HH22 ARG 35 2HH2 ARG 35 1.636 19.430 9.759 271 H VAL 36 H VAL 36 -0.285 10.635 9.633 272 HA VAL 36 HA VAL 36 -3.076 10.253 9.922 273 HB VAL 36 HB VAL 36 -3.315 12.092 8.414 274 HG11 VAL 36 1HG1 VAL 36 -2.258 12.262 6.248 275 HG12 VAL 36 2HG1 VAL 36 -1.385 10.754 6.536 276 HG13 VAL 36 3HG1 VAL 36 -1.056 12.165 7.533 277 HG21 VAL 36 3HG2 VAL 36 -4.375 11.073 6.439 278 HG22 VAL 36 1HG2 VAL 36 -4.822 10.249 7.940 279 HG23 VAL 36 2HG2 VAL 36 -3.627 9.533 6.858 280 HA PRO 37 HA PRO 37 -1.556 6.247 8.866 281 HB2 PRO 37 2HB PRO 37 -3.528 4.830 9.960 282 HB3 PRO 37 1HB PRO 37 -2.386 5.729 10.952 283 HG2 PRO 37 2HG PRO 37 -5.176 6.473 10.190 284 HG3 PRO 37 1HG PRO 37 -4.360 6.643 11.755 285 HD2 PRO 37 2HD PRO 37 -4.659 8.671 9.897 286 HD3 PRO 37 1HD PRO 37 -3.429 8.633 11.177 287 H ALA 38 H ALA 38 -1.752 5.082 7.099 288 HA ALA 38 HA ALA 38 -4.109 4.231 5.850 289 HB1 ALA 38 1HB ALA 38 -2.678 6.510 4.446 290 HB2 ALA 38 2HB ALA 38 -4.309 6.575 5.112 291 HB3 ALA 38 3HB ALA 38 -3.955 5.518 3.743 292 H VAL 39 H VAL 39 -3.557 2.827 4.039 293 HA VAL 39 HA VAL 39 -0.698 2.297 3.998 294 HB VAL 39 HB VAL 39 -2.064 0.319 4.526 295 HG11 VAL 39 1HG1 VAL 39 -4.122 0.829 3.368 296 HG12 VAL 39 2HG1 VAL 39 -3.475 -0.752 2.903 297 HG13 VAL 39 3HG1 VAL 39 -3.299 0.622 1.807 298 HG21 VAL 39 3HG2 VAL 39 -1.166 -1.246 2.846 299 HG22 VAL 39 1HG2 VAL 39 0.024 -0.063 3.391 300 HG23 VAL 39 2HG2 VAL 39 -0.757 0.131 1.823 301 H VAL 40 H VAL 40 0.438 2.747 2.265 302 HA VAL 40 HA VAL 40 -1.088 3.986 0.193 303 HB VAL 40 HB VAL 40 0.911 4.943 -0.605 304 HG11 VAL 40 1HG1 VAL 40 1.554 6.339 1.277 305 HG12 VAL 40 2HG1 VAL 40 0.880 5.128 2.390 306 HG13 VAL 40 3HG1 VAL 40 -0.183 5.957 1.274 307 HG21 VAL 40 3HG2 VAL 40 2.400 3.322 1.441 308 HG22 VAL 40 1HG2 VAL 40 3.111 4.583 0.402 309 HG23 VAL 40 2HG2 VAL 40 2.420 3.115 -0.314 310 H PHE 41 H PHE 41 -1.448 3.114 -1.589 311 HA PHE 41 HA PHE 41 -0.097 0.655 -2.240 312 HB2 PHE 41 2HB PHE 41 -2.587 1.922 -3.314 313 HB3 PHE 41 1HB PHE 41 -1.736 0.757 -4.295 314 HD1 PHE 41 2HD PHE 41 -0.873 -1.070 -1.953 315 HD2 PHE 41 1HD PHE 41 -4.595 0.730 -2.987 316 HE1 PHE 41 2HE PHE 41 -2.049 -2.930 -0.915 317 HE2 PHE 41 1HE PHE 41 -5.777 -1.138 -1.924 318 HZ PHE 41 HZ PHE 41 -4.488 -2.996 -0.904 319 H THR 42 H THR 42 1.609 0.646 -3.322 320 HA THR 42 HA THR 42 2.315 2.919 -4.962 321 HB THR 42 HB THR 42 3.798 0.399 -4.192 322 HG1 THR 42 1HG THR 42 3.296 2.591 -2.884 323 HG21 THR 42 3HG2 THR 42 5.814 1.542 -5.106 324 HG22 THR 42 1HG2 THR 42 4.776 2.842 -5.707 325 HG23 THR 42 2HG2 THR 42 4.601 1.205 -6.343 326 H THR 43 H THR 43 1.385 2.857 -6.903 327 HA THR 43 HA THR 43 0.462 0.462 -8.082 328 HB THR 43 HB THR 43 -0.059 1.888 -10.015 329 HG1 THR 43 1HG THR 43 0.427 4.060 -9.902 330 HG21 THR 43 3HG2 THR 43 -0.808 3.075 -7.335 331 HG22 THR 43 1HG2 THR 43 -1.624 1.726 -8.127 332 HG23 THR 43 2HG2 THR 43 -1.673 3.342 -8.847 333 H LEU 44 H LEU 44 1.067 0.028 -10.536 334 HA LEU 44 HA LEU 44 3.645 -0.938 -10.658 335 HB2 LEU 44 2HB LEU 44 1.757 -0.195 -12.884 336 HB3 LEU 44 1HB LEU 44 3.170 -1.217 -13.030 337 HG LEU 44 HG LEU 44 0.705 -1.864 -11.416 338 HD11 LEU 44 1HD1 LEU 44 0.293 -1.967 -13.800 339 HD12 LEU 44 2HD1 LEU 44 0.314 -3.585 -13.097 340 HD13 LEU 44 3HD1 LEU 44 1.703 -3.004 -14.015 341 HD21 LEU 44 3HD2 LEU 44 2.716 -2.835 -10.412 342 HD22 LEU 44 1HD2 LEU 44 3.178 -3.516 -11.967 343 HD23 LEU 44 2HD2 LEU 44 1.722 -4.086 -11.154 344 H ARG 45 H ARG 45 2.300 2.125 -11.614 345 HA ARG 45 HA ARG 45 4.539 3.098 -13.051 346 HB2 ARG 45 2HB ARG 45 2.300 4.026 -13.333 347 HB3 ARG 45 1HB ARG 45 2.285 4.556 -11.663 348 HG2 ARG 45 2HG ARG 45 2.657 6.376 -13.210 349 HG3 ARG 45 1HG ARG 45 4.053 6.160 -12.148 350 HD2 ARG 45 2HD ARG 45 5.202 4.975 -13.944 351 HD3 ARG 45 1HD ARG 45 3.799 5.174 -14.997 352 HE ARG 45 HE ARG 45 4.602 7.673 -14.044 353 HH11 ARG 45 1HH1 ARG 45 5.856 5.139 -16.173 354 HH12 ARG 45 2HH1 ARG 45 6.656 6.224 -17.219 355 HH21 ARG 45 1HH2 ARG 45 5.727 9.171 -15.493 356 HH22 ARG 45 2HH2 ARG 45 6.564 8.552 -16.835 357 H GLY 46 H GLY 46 3.952 2.679 -9.688 358 HA2 GLY 46 2HA GLY 46 5.680 2.893 -8.086 359 HA3 GLY 46 1HA GLY 46 6.442 4.092 -9.126 360 H ARG 47 H ARG 47 3.086 4.413 -8.714 361 HA ARG 47 HA ARG 47 3.548 6.867 -7.181 362 HB2 ARG 47 2HB ARG 47 1.172 5.885 -8.712 363 HB3 ARG 47 1HB ARG 47 1.284 7.445 -7.918 364 HG2 ARG 47 2HG ARG 47 3.090 6.480 -10.081 365 HG3 ARG 47 1HG ARG 47 1.669 7.477 -10.423 366 HD2 ARG 47 2HD ARG 47 3.626 8.881 -10.462 367 HD3 ARG 47 1HD ARG 47 2.758 9.245 -8.980 368 HE ARG 47 HE ARG 47 4.617 7.364 -8.255 369 HH11 ARG 47 1HH1 ARG 47 4.867 10.467 -9.938 370 HH12 ARG 47 2HH1 ARG 47 6.322 10.902 -9.191 371 HH21 ARG 47 1HH2 ARG 47 6.630 7.974 -7.199 372 HH22 ARG 47 2HH2 ARG 47 7.350 9.449 -7.614 373 H GLN 48 H GLN 48 2.525 7.323 -5.421 374 HA GLN 48 HA GLN 48 1.465 5.002 -3.939 375 HB2 GLN 48 2HB GLN 48 2.585 7.594 -2.879 376 HB3 GLN 48 1HB GLN 48 2.063 6.228 -1.912 377 HG2 GLN 48 2HG GLN 48 3.831 4.861 -2.878 378 HG3 GLN 48 1HG GLN 48 4.348 6.224 -3.867 379 HE21 GLN 48 1HE2 GLN 48 6.364 6.325 -2.968 380 HE22 GLN 48 2HE2 GLN 48 6.647 6.849 -1.351 381 H LEU 49 H LEU 49 -0.596 5.024 -3.295 382 HA LEU 49 HA LEU 49 -1.946 7.612 -3.141 383 HB2 LEU 49 2HB LEU 49 -2.525 6.423 -5.278 384 HB3 LEU 49 1HB LEU 49 -3.202 5.127 -4.315 385 HG LEU 49 HG LEU 49 -4.862 6.701 -3.373 386 HD11 LEU 49 1HD1 LEU 49 -3.664 8.663 -5.315 387 HD12 LEU 49 2HD1 LEU 49 -3.624 8.774 -3.553 388 HD13 LEU 49 3HD1 LEU 49 -5.155 8.904 -4.413 389 HD21 LEU 49 3HD2 LEU 49 -5.446 5.382 -5.301 390 HD22 LEU 49 1HD2 LEU 49 -4.778 6.609 -6.378 391 HD23 LEU 49 2HD2 LEU 49 -6.207 6.967 -5.403 392 H CYS 50 H CYS 50 -3.726 7.664 -1.605 393 HA CYS 50 HA CYS 50 -3.112 6.179 0.734 394 HB2 CYS 50 2HB CYS 50 -5.546 7.852 0.246 395 HB3 CYS 50 1HB CYS 50 -4.663 7.592 1.739 396 H ALA 51 H ALA 51 -4.059 4.080 1.161 397 HA ALA 51 HA ALA 51 -6.854 3.846 0.409 398 HB1 ALA 51 1HB ALA 51 -6.565 1.537 -0.295 399 HB2 ALA 51 2HB ALA 51 -4.824 1.582 0.067 400 HB3 ALA 51 3HB ALA 51 -5.540 2.577 -1.224 401 HA PRO 52 HA PRO 52 -7.429 2.772 4.550 402 HB2 PRO 52 2HB PRO 52 -9.635 1.263 4.574 403 HB3 PRO 52 1HB PRO 52 -9.680 2.939 4.018 404 HG2 PRO 52 2HG PRO 52 -9.594 0.411 2.417 405 HG3 PRO 52 1HG PRO 52 -10.574 1.840 2.106 406 HD2 PRO 52 2HD PRO 52 -8.226 1.199 0.880 407 HD3 PRO 52 1HD PRO 52 -8.844 2.847 0.942 408 HA PRO 53 HA PRO 53 -5.077 -1.134 4.821 409 HB2 PRO 53 2HB PRO 53 -4.080 -0.721 7.302 410 HB3 PRO 53 1HB PRO 53 -3.413 0.053 5.865 411 HG2 PRO 53 2HG PRO 53 -5.285 1.171 7.916 412 HG3 PRO 53 1HG PRO 53 -3.896 1.940 7.132 413 HD2 PRO 53 2HD PRO 53 -6.459 2.406 6.385 414 HD3 PRO 53 1HD PRO 53 -5.100 2.475 5.248 415 H ASP 54 H ASP 54 -7.662 -0.102 6.733 416 HA ASP 54 HA ASP 54 -7.691 -2.520 8.375 417 HB2 ASP 54 2HB ASP 54 -8.045 -0.340 9.464 418 HB3 ASP 54 1HB ASP 54 -9.455 -0.065 8.460 419 H GLN 55 H GLN 55 -9.104 -1.299 5.525 420 HA GLN 55 HA GLN 55 -11.619 -2.643 5.871 421 HB2 GLN 55 2HB GLN 55 -10.560 -1.060 3.549 422 HB3 GLN 55 1HB GLN 55 -12.161 -1.785 3.585 423 HG2 GLN 55 2HG GLN 55 -11.124 0.284 5.512 424 HG3 GLN 55 1HG GLN 55 -12.244 0.591 4.184 425 HE21 GLN 55 1HE2 GLN 55 -14.369 -0.205 4.383 426 HE22 GLN 55 2HE2 GLN 55 -15.031 -0.609 5.916 427 HA PRO 56 HA PRO 56 -11.121 -6.669 4.372 428 HB2 PRO 56 2HB PRO 56 -13.330 -6.767 2.655 429 HB3 PRO 56 1HB PRO 56 -13.302 -7.163 4.367 430 HG2 PRO 56 2HG PRO 56 -14.129 -4.640 3.021 431 HG3 PRO 56 1HG PRO 56 -14.804 -5.416 4.462 432 HD2 PRO 56 2HD PRO 56 -13.269 -3.268 4.673 433 HD3 PRO 56 1HD PRO 56 -13.125 -4.592 5.842 434 H TRP 57 H TRP 57 -11.945 -4.433 1.733 435 HA TRP 57 HA TRP 57 -11.107 -6.244 -0.279 436 HB2 TRP 57 2HB TRP 57 -11.337 -4.489 -1.915 437 HB3 TRP 57 1HB TRP 57 -12.638 -4.301 -0.757 438 HD1 TRP 57 HD1 TRP 57 -12.407 -2.092 0.948 439 HE1 TRP 57 1HE TRP 57 -11.256 0.126 0.566 440 HE3 TRP 57 3HE TRP 57 -9.398 -3.374 -3.011 441 HZ2 TRP 57 2HZ TRP 57 -9.304 1.236 -1.160 442 HZ3 TRP 57 3HZ TRP 57 -7.911 -1.611 -3.940 443 HH2 TRP 57 HH2 TRP 57 -7.890 0.606 -3.041 444 H VAL 58 H VAL 58 -9.386 -3.809 1.500 445 HA VAL 58 HA VAL 58 -7.091 -3.776 -0.145 446 HB VAL 58 HB VAL 58 -7.519 -2.810 2.698 447 HG11 VAL 58 1HG1 VAL 58 -5.142 -2.344 0.896 448 HG12 VAL 58 2HG1 VAL 58 -5.143 -3.344 2.352 449 HG13 VAL 58 3HG1 VAL 58 -5.414 -1.608 2.472 450 HG21 VAL 58 3HG2 VAL 58 -7.260 -1.357 0.076 451 HG22 VAL 58 1HG2 VAL 58 -7.459 -0.611 1.650 452 HG23 VAL 58 2HG2 VAL 58 -8.750 -1.604 0.985 453 H GLU 59 H GLU 59 -7.834 -5.432 2.889 454 HA GLU 59 HA GLU 59 -5.275 -6.534 3.187 455 HB2 GLU 59 2HB GLU 59 -6.296 -8.151 4.732 456 HB3 GLU 59 1HB GLU 59 -6.765 -6.490 5.065 457 HG2 GLU 59 2HG GLU 59 -8.901 -6.840 4.069 458 HG3 GLU 59 1HG GLU 59 -8.429 -8.449 3.531 459 H ARG 60 H ARG 60 -7.989 -7.635 1.280 460 HA ARG 60 HA ARG 60 -7.047 -10.287 0.871 461 HB2 ARG 60 2HB ARG 60 -8.841 -8.634 -0.914 462 HB3 ARG 60 1HB ARG 60 -8.551 -10.350 -1.098 463 HG2 ARG 60 2HG ARG 60 -9.982 -8.985 1.189 464 HG3 ARG 60 1HG ARG 60 -10.713 -9.958 -0.082 465 HD2 ARG 60 2HD ARG 60 -10.620 -11.446 1.714 466 HD3 ARG 60 1HD ARG 60 -9.164 -11.836 0.815 467 HE ARG 60 HE ARG 60 -9.049 -9.989 3.077 468 HH11 ARG 60 1HH1 ARG 60 -7.956 -13.013 1.602 469 HH12 ARG 60 2HH1 ARG 60 -6.935 -13.426 2.904 470 HH21 ARG 60 1HH2 ARG 60 -7.672 -10.585 4.857 471 HH22 ARG 60 2HH2 ARG 60 -6.751 -12.025 4.772 472 H ILE 61 H ILE 61 -6.834 -7.391 -1.153 473 HA ILE 61 HA ILE 61 -5.198 -8.573 -3.124 474 HB ILE 61 HB ILE 61 -4.676 -6.125 -3.765 475 HG12 ILE 61 2HG1 ILE 61 -6.710 -5.682 -1.580 476 HG13 ILE 61 1HG1 ILE 61 -5.038 -5.147 -1.585 477 HG21 ILE 61 1HG2 ILE 61 -6.942 -5.809 -4.685 478 HG22 ILE 61 2HG2 ILE 61 -7.528 -7.113 -3.657 479 HG23 ILE 61 3HG2 ILE 61 -6.336 -7.434 -4.928 480 HD11 ILE 61 3HD1 ILE 61 -7.239 -4.226 -3.392 481 HD12 ILE 61 1HD1 ILE 61 -5.556 -3.691 -3.476 482 HD13 ILE 61 2HD1 ILE 61 -6.521 -3.339 -2.049 483 H ILE 62 H ILE 62 -4.399 -6.831 -0.191 484 HA ILE 62 HA ILE 62 -1.668 -6.657 -0.526 485 HB ILE 62 HB ILE 62 -3.368 -7.001 1.931 486 HG12 ILE 62 2HG1 ILE 62 -1.865 -4.683 0.733 487 HG13 ILE 62 1HG1 ILE 62 -3.596 -4.916 0.765 488 HG21 ILE 62 1HG2 ILE 62 -1.432 -6.447 3.317 489 HG22 ILE 62 2HG2 ILE 62 -0.396 -6.565 1.894 490 HG23 ILE 62 3HG2 ILE 62 -1.240 -7.994 2.492 491 HD11 ILE 62 3HD1 ILE 62 -3.603 -4.703 3.193 492 HD12 ILE 62 1HD1 ILE 62 -2.909 -3.280 2.414 493 HD13 ILE 62 2HD1 ILE 62 -1.855 -4.474 3.176 494 H GLN 63 H GLN 63 -3.568 -9.385 0.675 495 HA GLN 63 HA GLN 63 -1.375 -11.065 1.250 496 HB2 GLN 63 2HB GLN 63 -4.188 -11.796 0.460 497 HB3 GLN 63 1HB GLN 63 -3.001 -12.934 1.073 498 HG2 GLN 63 2HG GLN 63 -4.042 -10.539 2.552 499 HG3 GLN 63 1HG GLN 63 -4.600 -12.201 2.734 500 HE21 GLN 63 1HE2 GLN 63 -4.014 -12.243 4.933 501 HE22 GLN 63 2HE2 GLN 63 -2.379 -12.319 5.454 502 H ARG 64 H ARG 64 -3.212 -10.498 -1.649 503 HA ARG 64 HA ARG 64 -2.033 -12.493 -3.227 504 HB2 ARG 64 2HB ARG 64 -3.197 -9.850 -4.096 505 HB3 ARG 64 1HB ARG 64 -2.843 -11.220 -5.135 506 HG2 ARG 64 2HG ARG 64 -4.902 -11.108 -2.940 507 HG3 ARG 64 1HG ARG 64 -5.206 -11.137 -4.675 508 HD2 ARG 64 2HD ARG 64 -4.149 -13.377 -4.780 509 HD3 ARG 64 1HD ARG 64 -3.940 -13.330 -3.031 510 HE ARG 64 HE ARG 64 -6.612 -12.964 -4.063 511 HH11 ARG 64 1HH1 ARG 64 -4.311 -15.143 -2.457 512 HH12 ARG 64 2HH1 ARG 64 -5.480 -16.301 -2.039 513 HH21 ARG 64 1HH2 ARG 64 -8.213 -14.566 -3.470 514 HH22 ARG 64 2HH2 ARG 64 -7.732 -15.961 -2.627 515 H LEU 65 H LEU 65 -1.018 -9.184 -2.479 516 HA LEU 65 HA LEU 65 1.200 -9.321 -4.279 517 HB2 LEU 65 2HB LEU 65 0.659 -7.461 -1.971 518 HB3 LEU 65 1HB LEU 65 1.975 -7.280 -3.108 519 HG LEU 65 HG LEU 65 -0.967 -7.076 -3.743 520 HD11 LEU 65 1HD1 LEU 65 -0.178 -5.194 -2.522 521 HD12 LEU 65 2HD1 LEU 65 -0.406 -4.711 -4.201 522 HD13 LEU 65 3HD1 LEU 65 1.217 -5.009 -3.599 523 HD21 LEU 65 3HD2 LEU 65 1.444 -6.742 -5.533 524 HD22 LEU 65 1HD2 LEU 65 -0.221 -6.367 -5.976 525 HD23 LEU 65 2HD2 LEU 65 0.238 -8.029 -5.632 526 H GLN 66 H GLN 66 0.684 -10.040 -0.891 527 HA GLN 66 HA GLN 66 3.480 -10.343 -0.387 528 HB2 GLN 66 2HB GLN 66 1.169 -11.195 1.332 529 HB3 GLN 66 1HB GLN 66 2.856 -11.245 1.819 530 HG2 GLN 66 2HG GLN 66 2.916 -8.786 1.398 531 HG3 GLN 66 1HG GLN 66 1.167 -8.851 1.218 532 HE21 GLN 66 1HE2 GLN 66 -0.102 -9.448 3.026 533 HE22 GLN 66 2HE2 GLN 66 0.523 -9.284 4.626 534 H ARG 67 H ARG 67 1.159 -12.431 -1.699 535 HA ARG 67 HA ARG 67 2.311 -14.856 -0.815 536 HB2 ARG 67 2HB ARG 67 1.093 -16.039 -2.530 537 HB3 ARG 67 1HB ARG 67 0.065 -14.866 -1.720 538 HG2 ARG 67 2HG ARG 67 0.234 -13.391 -3.657 539 HG3 ARG 67 1HG ARG 67 1.295 -14.559 -4.458 540 HD2 ARG 67 2HD ARG 67 -0.482 -16.240 -4.359 541 HD3 ARG 67 1HD ARG 67 -1.537 -15.082 -3.561 542 HE ARG 67 HE ARG 67 -0.704 -13.978 -5.993 543 HH11 ARG 67 1HH1 ARG 67 -2.716 -16.681 -4.828 544 HH12 ARG 67 2HH1 ARG 67 -3.721 -16.682 -6.180 545 HH21 ARG 67 1HH2 ARG 67 -2.132 -14.044 -7.895 546 HH22 ARG 67 2HH2 ARG 67 -3.397 -15.175 -7.933 547 H THR 68 H THR 68 3.642 -12.635 -2.804 548 HA THR 68 HA THR 68 5.146 -14.211 -4.600 549 HB THR 68 HB THR 68 6.729 -12.316 -4.593 550 HG1 THR 68 1HG THR 68 5.765 -10.436 -3.271 551 HG21 THR 68 3HG2 THR 68 3.816 -11.512 -4.728 552 HG22 THR 68 1HG2 THR 68 4.757 -12.221 -6.042 553 HG23 THR 68 2HG2 THR 68 5.150 -10.611 -5.439 554 H SER 69 H SER 69 5.387 -13.544 -1.286 555 HA SER 69 HA SER 69 8.045 -14.446 -0.870 556 HB2 SER 69 2HB SER 69 5.760 -14.045 1.026 557 HB3 SER 69 1HB SER 69 7.454 -14.262 1.458 558 HG SER 69 HG SER 69 7.012 -12.284 -0.402 559 H ALA 70 H ALA 70 5.065 -16.022 -1.371 560 HA ALA 70 HA ALA 70 5.677 -18.402 0.135 561 HB1 ALA 70 1HB ALA 70 3.686 -19.355 -0.956 562 HB2 ALA 70 2HB ALA 70 3.597 -17.953 -2.023 563 HB3 ALA 70 3HB ALA 70 3.339 -17.760 -0.292 564 H LYS 71 H LYS 71 6.363 -17.099 -2.931 565 HA LYS 71 HA LYS 71 7.164 -19.555 -4.205 566 HB2 LYS 71 2HB LYS 71 6.356 -17.570 -5.468 567 HB3 LYS 71 1HB LYS 71 7.743 -16.665 -4.888 568 HG2 LYS 71 2HG LYS 71 9.234 -18.238 -6.083 569 HG3 LYS 71 1HG LYS 71 7.813 -19.063 -6.719 570 HD2 LYS 71 2HD LYS 71 8.677 -17.521 -8.385 571 HD3 LYS 71 1HD LYS 71 7.109 -16.958 -7.807 572 HE2 LYS 71 2HE LYS 71 8.214 -15.338 -6.341 573 HE3 LYS 71 1HE LYS 71 9.793 -15.922 -6.855 574 HZ1 LYS 71 3HZ LYS 71 7.758 -14.604 -8.565 575 HZ2 LYS 71 1HZ LYS 71 9.218 -15.186 -9.127 576 HZ3 LYS 71 2HZ LYS 71 9.188 -13.901 -8.028 577 H MET 72 H MET 72 8.408 -17.373 -1.963 578 HA MET 72 HA MET 72 11.213 -17.719 -2.523 579 HB2 MET 72 2HB MET 72 10.361 -15.626 -1.561 580 HB3 MET 72 1HB MET 72 9.763 -16.495 -0.158 581 HG2 MET 72 2HG MET 72 12.072 -17.076 0.394 582 HG3 MET 72 1HG MET 72 12.634 -16.114 -0.973 583 HE1 MET 72 3HE MET 72 12.240 -13.447 -1.151 584 HE2 MET 72 1HE MET 72 11.445 -12.501 0.106 585 HE3 MET 72 2HE MET 72 10.513 -13.657 -0.844 586 H LYS 73 H LYS 73 12.646 -18.862 -1.155 587 HA LYS 73 HA LYS 73 11.557 -21.300 -0.153 588 HB2 LYS 73 2HB LYS 73 13.803 -21.008 -1.358 589 HB3 LYS 73 1HB LYS 73 14.387 -20.265 0.112 590 HG2 LYS 73 2HG LYS 73 13.417 -23.122 -0.109 591 HG3 LYS 73 1HG LYS 73 15.101 -22.620 -0.184 592 HD2 LYS 73 2HD LYS 73 14.912 -21.753 2.110 593 HD3 LYS 73 1HD LYS 73 13.232 -22.285 2.166 594 HE2 LYS 73 2HE LYS 73 15.649 -24.053 1.799 595 HE3 LYS 73 1HE LYS 73 14.692 -23.900 3.269 596 HZ1 LYS 73 3HZ LYS 73 12.762 -24.783 1.986 597 HZ2 LYS 73 1HZ LYS 73 14.058 -25.871 2.020 598 HZ3 LYS 73 2HZ LYS 73 13.767 -24.954 0.664 599 H ARG 74 H ARG 74 10.353 -20.992 1.588 600 HA ARG 74 HA ARG 74 11.738 -20.209 4.020 601 HB2 ARG 74 2HB ARG 74 9.690 -19.095 4.867 602 HB3 ARG 74 1HB ARG 74 10.317 -18.290 3.444 603 HG2 ARG 74 2HG ARG 74 8.586 -19.392 2.086 604 HG3 ARG 74 1HG ARG 74 7.956 -20.162 3.544 605 HD2 ARG 74 2HD ARG 74 7.551 -17.933 4.522 606 HD3 ARG 74 1HD ARG 74 8.135 -17.191 3.035 607 HE ARG 74 HE ARG 74 6.066 -19.020 2.503 608 HH11 ARG 74 1HH1 ARG 74 6.591 -15.761 3.746 609 HH12 ARG 74 2HH1 ARG 74 5.034 -15.186 3.355 610 HH21 ARG 74 1HH2 ARG 74 3.907 -18.267 1.994 611 HH22 ARG 74 2HH2 ARG 74 3.457 -16.668 2.318 612 H ARG 75 H ARG 75 11.037 -21.381 5.862 613 HA ARG 75 HA ARG 75 10.555 -23.284 6.934 614 HB2 ARG 75 2HB ARG 75 8.235 -23.457 4.979 615 HB3 ARG 75 1HB ARG 75 8.441 -24.531 6.350 616 HG2 ARG 75 2HG ARG 75 8.087 -21.541 6.523 617 HG3 ARG 75 1HG ARG 75 6.815 -22.740 6.786 618 HD2 ARG 75 2HD ARG 75 8.103 -23.674 8.653 619 HD3 ARG 75 1HD ARG 75 9.361 -22.471 8.377 620 HE ARG 75 HE ARG 75 7.007 -21.087 8.722 621 HH11 ARG 75 1HH1 ARG 75 9.023 -23.269 10.626 622 HH12 ARG 75 2HH1 ARG 75 8.646 -22.597 12.133 623 HH21 ARG 75 1HH2 ARG 75 6.479 -20.107 10.822 624 HH22 ARG 75 2HH2 ARG 75 7.185 -20.751 12.240 625 H SER 76 H SER 76 12.340 -24.417 6.542 626 HA SER 76 HA SER 76 12.692 -25.786 4.042 627 HB2 SER 76 2HB SER 76 14.638 -24.825 5.283 628 HB3 SER 76 1HB SER 76 14.353 -25.995 6.570 629 HG SER 76 HG SER 76 15.112 -27.540 5.397 630 H SER 77 H SER 77 11.587 -26.596 7.258 631 HA SER 77 HA SER 77 11.459 -29.407 6.525 632 HB2 SER 77 2HB SER 77 10.952 -28.030 9.170 633 HB3 SER 77 1HB SER 77 11.016 -29.773 8.902 634 HG SER 77 HG SER 77 13.213 -28.941 7.897 Start of MODEL 17 1 H1 GLY 1 1HT GLY 1 7.183 17.810 -4.714 2 H2 GLY 1 2HT GLY 1 8.034 16.361 -4.570 3 H3 GLY 1 3HT GLY 1 6.868 16.540 -5.783 4 HA2 GLY 1 1HA GLY 1 9.116 16.758 -6.656 5 HA3 GLY 1 2HA GLY 1 8.195 18.256 -6.811 6 H THR 2 H THR 2 11.118 17.679 -6.545 7 HA THR 2 HA THR 2 12.942 18.607 -5.646 8 HB THR 2 HB THR 2 11.035 20.544 -4.289 9 HG1 THR 2 1HG THR 2 10.924 20.439 -6.605 10 HG21 THR 2 3HG2 THR 2 13.299 20.575 -3.310 11 HG22 THR 2 1HG2 THR 2 12.988 22.055 -4.216 12 HG23 THR 2 2HG2 THR 2 13.994 20.788 -4.916 13 H ASN 3 H ASN 3 10.678 18.995 -2.907 14 HA ASN 3 HA ASN 3 12.610 17.560 -1.224 15 HB2 ASN 3 2HB ASN 3 12.021 19.800 -0.420 16 HB3 ASN 3 1HB ASN 3 10.312 19.367 -0.435 17 HD21 ASN 3 1HD2 ASN 3 13.348 18.979 1.192 18 HD22 ASN 3 2HD2 ASN 3 12.732 18.235 2.611 19 H ASP 4 H ASP 4 12.143 15.605 -0.532 20 HA ASP 4 HA ASP 4 9.347 14.762 -0.423 21 HB2 ASP 4 2HB ASP 4 10.377 13.884 -2.512 22 HB3 ASP 4 1HB ASP 4 11.622 13.172 -1.474 23 H ALA 5 H ALA 5 9.735 15.313 1.714 24 HA ALA 5 HA ALA 5 11.435 13.513 3.268 25 HB1 ALA 5 1HB ALA 5 11.029 14.982 5.170 26 HB2 ALA 5 2HB ALA 5 9.855 15.900 4.225 27 HB3 ALA 5 3HB ALA 5 11.558 15.917 3.775 28 H GLU 6 H GLU 6 8.472 13.476 2.135 29 HA GLU 6 HA GLU 6 7.278 12.140 4.463 30 HB2 GLU 6 2HB GLU 6 5.107 12.514 3.354 31 HB3 GLU 6 1HB GLU 6 5.953 14.007 3.709 32 HG2 GLU 6 2HG GLU 6 6.688 14.130 1.373 33 HG3 GLU 6 1HG GLU 6 5.803 12.643 1.033 34 H ASP 7 H ASP 7 6.372 10.117 4.267 35 HA ASP 7 HA ASP 7 6.447 8.755 1.647 36 HB2 ASP 7 2HB ASP 7 8.549 8.231 3.051 37 HB3 ASP 7 1HB ASP 7 7.464 7.465 4.200 38 H CYS 8 H CYS 8 4.643 9.947 3.831 39 HA CYS 8 HA CYS 8 3.049 7.595 4.312 40 HB2 CYS 8 2HB CYS 8 3.720 8.914 6.294 41 HB3 CYS 8 1HB CYS 8 2.884 10.309 5.625 42 H CYS 9 H CYS 9 0.557 8.497 4.610 43 HA CYS 9 HA CYS 9 -0.280 9.075 1.923 44 HB2 CYS 9 2HB CYS 9 -1.799 8.402 4.431 45 HB3 CYS 9 1HB CYS 9 -2.515 8.670 2.840 46 H LEU 10 H LEU 10 -2.009 10.532 1.532 47 HA LEU 10 HA LEU 10 -1.899 12.955 3.143 48 HB2 LEU 10 2HB LEU 10 -2.932 12.492 0.320 49 HB3 LEU 10 1HB LEU 10 -3.104 13.995 1.183 50 HG LEU 10 HG LEU 10 -1.357 14.247 -0.404 51 HD11 LEU 10 1HD1 LEU 10 -0.184 13.982 2.332 52 HD12 LEU 10 2HD1 LEU 10 -0.981 15.395 1.642 53 HD13 LEU 10 3HD1 LEU 10 0.560 14.831 0.981 54 HD21 LEU 10 3HD2 LEU 10 -0.748 11.923 -0.795 55 HD22 LEU 10 1HD2 LEU 10 -0.014 11.827 0.807 56 HD23 LEU 10 2HD2 LEU 10 0.689 12.878 -0.423 57 H SER 11 H SER 11 -4.168 10.767 1.404 58 HA SER 11 HA SER 11 -5.971 10.614 3.581 59 HB2 SER 11 2HB SER 11 -6.831 12.197 1.119 60 HB3 SER 11 1HB SER 11 -7.911 11.653 2.400 61 HG SER 11 HG SER 11 -5.797 13.065 3.359 62 H VAL 12 H VAL 12 -8.048 9.396 2.543 63 HA VAL 12 HA VAL 12 -7.184 8.018 0.135 64 HB VAL 12 HB VAL 12 -7.771 5.882 0.837 65 HG11 VAL 12 1HG1 VAL 12 -5.701 6.405 1.776 66 HG12 VAL 12 2HG1 VAL 12 -6.567 5.361 2.907 67 HG13 VAL 12 3HG1 VAL 12 -6.441 7.098 3.215 68 HG21 VAL 12 3HG2 VAL 12 -9.154 6.956 3.307 69 HG22 VAL 12 1HG2 VAL 12 -8.932 5.242 2.866 70 HG23 VAL 12 2HG2 VAL 12 -9.894 6.284 1.839 71 H THR 13 H THR 13 -8.949 7.449 -1.181 72 HA THR 13 HA THR 13 -11.346 8.953 -0.534 73 HB THR 13 HB THR 13 -10.367 9.348 -2.785 74 HG1 THR 13 1HG THR 13 -12.619 9.518 -2.551 75 HG21 THR 13 3HG2 THR 13 -9.405 7.152 -3.178 76 HG22 THR 13 1HG2 THR 13 -10.448 7.629 -4.522 77 HG23 THR 13 2HG2 THR 13 -11.024 6.467 -3.327 78 H GLN 14 H GLN 14 -13.448 7.648 -1.575 79 HA GLN 14 HA GLN 14 -14.183 5.831 0.321 80 HB2 GLN 14 2HB GLN 14 -15.759 6.973 -1.133 81 HB3 GLN 14 1HB GLN 14 -15.165 6.087 -2.525 82 HG2 GLN 14 2HG GLN 14 -16.013 4.014 -1.579 83 HG3 GLN 14 1HG GLN 14 -16.563 4.906 -0.155 84 HE21 GLN 14 1HE2 GLN 14 -18.677 4.259 -0.525 85 HE22 GLN 14 2HE2 GLN 14 -19.640 4.962 -1.779 86 H LYS 15 H LYS 15 -13.628 4.705 -3.098 87 HA LYS 15 HA LYS 15 -12.101 2.581 -1.994 88 HB2 LYS 15 2HB LYS 15 -14.341 2.443 -3.974 89 HB3 LYS 15 1HB LYS 15 -13.130 1.187 -3.757 90 HG2 LYS 15 2HG LYS 15 -13.781 0.951 -1.404 91 HG3 LYS 15 1HG LYS 15 -14.942 2.243 -1.586 92 HD2 LYS 15 2HD LYS 15 -16.120 0.133 -1.601 93 HD3 LYS 15 1HD LYS 15 -16.199 0.837 -3.210 94 HE2 LYS 15 2HE LYS 15 -14.484 -0.653 -4.002 95 HE3 LYS 15 1HE LYS 15 -14.208 -1.270 -2.373 96 HZ1 LYS 15 3HZ LYS 15 -16.461 -2.132 -2.370 97 HZ2 LYS 15 1HZ LYS 15 -15.584 -2.790 -3.652 98 HZ3 LYS 15 2HZ LYS 15 -16.728 -1.574 -3.926 99 HA PRO 16 HA PRO 16 -9.690 5.372 -4.681 100 HB2 PRO 16 2HB PRO 16 -7.340 3.954 -3.944 101 HB3 PRO 16 1HB PRO 16 -7.919 5.515 -3.370 102 HG2 PRO 16 2HG PRO 16 -8.210 2.842 -2.100 103 HG3 PRO 16 1HG PRO 16 -8.155 4.424 -1.391 104 HD2 PRO 16 2HD PRO 16 -10.365 3.079 -1.492 105 HD3 PRO 16 1HD PRO 16 -10.291 4.815 -1.664 106 H ILE 17 H ILE 17 -7.956 2.252 -4.814 107 HA ILE 17 HA ILE 17 -8.471 2.247 -7.678 108 HB ILE 17 HB ILE 17 -6.137 1.984 -8.289 109 HG12 ILE 17 2HG1 ILE 17 -5.221 0.957 -6.222 110 HG13 ILE 17 1HG1 ILE 17 -4.240 2.304 -6.772 111 HG21 ILE 17 1HG2 ILE 17 -6.549 4.483 -6.699 112 HG22 ILE 17 2HG2 ILE 17 -6.959 4.200 -8.391 113 HG23 ILE 17 3HG2 ILE 17 -5.268 4.230 -7.887 114 HD11 ILE 17 3HD1 ILE 17 -6.142 2.244 -4.430 115 HD12 ILE 17 1HD1 ILE 17 -5.328 3.702 -5.031 116 HD13 ILE 17 2HD1 ILE 17 -4.373 2.373 -4.416 117 HA PRO 18 HA PRO 18 -8.557 -2.141 -7.216 118 HB2 PRO 18 2HB PRO 18 -6.952 -2.471 -9.653 119 HB3 PRO 18 1HB PRO 18 -8.620 -2.948 -9.347 120 HG2 PRO 18 2HG PRO 18 -7.968 -0.915 -10.984 121 HG3 PRO 18 1HG PRO 18 -9.462 -0.919 -10.030 122 HD2 PRO 18 2HD PRO 18 -6.903 0.522 -9.587 123 HD3 PRO 18 1HD PRO 18 -8.571 1.063 -9.295 124 H GLY 19 H GLY 19 -7.325 -3.570 -6.140 125 HA2 GLY 19 2HA GLY 19 -4.569 -2.960 -5.640 126 HA3 GLY 19 1HA GLY 19 -5.439 -4.314 -4.959 127 H TYR 20 H TYR 20 -5.991 -4.374 -8.111 128 HA TYR 20 HA TYR 20 -4.181 -6.476 -8.662 129 HB2 TYR 20 2HB TYR 20 -6.309 -6.678 -9.583 130 HB3 TYR 20 1HB TYR 20 -6.328 -5.027 -10.179 131 HD1 TYR 20 1HD TYR 20 -5.167 -8.443 -10.727 132 HD2 TYR 20 2HD TYR 20 -5.231 -4.524 -12.265 133 HE1 TYR 20 1HE TYR 20 -4.344 -9.309 -12.888 134 HE2 TYR 20 2HE TYR 20 -4.406 -5.342 -14.457 135 HH TYR 20 HH TYR 20 -4.336 -8.641 -15.260 136 H ILE 21 H ILE 21 -4.213 -2.992 -9.174 137 HA ILE 21 HA ILE 21 -2.033 -3.239 -11.120 138 HB ILE 21 HB ILE 21 -2.331 -0.847 -11.596 139 HG12 ILE 21 2HG1 ILE 21 -4.641 -0.977 -9.636 140 HG13 ILE 21 1HG1 ILE 21 -3.119 -0.136 -9.365 141 HG21 ILE 21 1HG2 ILE 21 -4.512 -0.989 -12.701 142 HG22 ILE 21 2HG2 ILE 21 -4.895 -2.427 -11.752 143 HG23 ILE 21 3HG2 ILE 21 -3.567 -2.461 -12.914 144 HD11 ILE 21 3HD1 ILE 21 -5.155 0.518 -11.484 145 HD12 ILE 21 1HD1 ILE 21 -3.630 1.362 -11.224 146 HD13 ILE 21 2HD1 ILE 21 -4.879 1.408 -9.983 147 H VAL 22 H VAL 22 -2.083 -3.293 -7.982 148 HA VAL 22 HA VAL 22 0.033 -1.331 -7.617 149 HB VAL 22 HB VAL 22 -1.713 -1.157 -5.941 150 HG11 VAL 22 1HG1 VAL 22 -2.606 -3.342 -5.979 151 HG12 VAL 22 2HG1 VAL 22 -2.144 -2.908 -4.337 152 HG13 VAL 22 3HG1 VAL 22 -1.135 -4.022 -5.294 153 HG21 VAL 22 3HG2 VAL 22 0.804 -2.329 -4.807 154 HG22 VAL 22 1HG2 VAL 22 -0.391 -1.396 -3.909 155 HG23 VAL 22 2HG2 VAL 22 0.512 -0.642 -5.219 156 H ARG 23 H ARG 23 2.006 -1.729 -7.022 157 HA ARG 23 HA ARG 23 3.035 -4.328 -7.871 158 HB2 ARG 23 2HB ARG 23 3.768 -1.787 -8.489 159 HB3 ARG 23 1HB ARG 23 4.665 -1.992 -7.033 160 HG2 ARG 23 2HG ARG 23 4.955 -3.829 -9.386 161 HG3 ARG 23 1HG ARG 23 5.952 -2.420 -9.073 162 HD2 ARG 23 2HD ARG 23 6.642 -3.448 -6.934 163 HD3 ARG 23 1HD ARG 23 5.699 -4.878 -7.355 164 HE ARG 23 HE ARG 23 7.206 -4.651 -9.493 165 HH11 ARG 23 1HH1 ARG 23 8.093 -4.543 -6.077 166 HH12 ARG 23 2HH1 ARG 23 9.703 -5.076 -6.317 167 HH21 ARG 23 1HH2 ARG 23 9.398 -5.384 -9.838 168 HH22 ARG 23 2HH2 ARG 23 10.471 -5.560 -8.520 169 H ASN 24 H ASN 24 3.583 -1.954 -5.268 170 HA ASN 24 HA ASN 24 3.656 -3.991 -3.232 171 HB2 ASN 24 2HB ASN 24 6.016 -2.163 -3.777 172 HB3 ASN 24 1HB ASN 24 5.729 -2.842 -2.188 173 HD21 ASN 24 1HD2 ASN 24 5.989 -5.050 -1.895 174 HD22 ASN 24 2HD2 ASN 24 6.864 -6.056 -2.975 175 H PHE 25 H PHE 25 3.993 -2.704 -1.021 176 HA PHE 25 HA PHE 25 2.527 -0.189 -1.245 177 HB2 PHE 25 2HB PHE 25 0.904 -0.881 0.419 178 HB3 PHE 25 1HB PHE 25 0.817 -1.977 -0.946 179 HD1 PHE 25 1HD PHE 25 2.028 -4.226 -0.711 180 HD2 PHE 25 2HD PHE 25 1.222 -1.668 2.578 181 HE1 PHE 25 1HE PHE 25 2.327 -6.108 0.805 182 HE2 PHE 25 2HE PHE 25 1.527 -3.555 4.129 183 HZ PHE 25 HZ PHE 25 2.080 -5.780 3.248 184 H HIS 26 H HIS 26 2.416 0.872 0.881 185 HA HIS 26 HA HIS 26 4.463 -0.003 2.801 186 HB2 HIS 26 2HB HIS 26 3.828 2.928 2.170 187 HB3 HIS 26 1HB HIS 26 4.939 2.347 3.380 188 HD1 HIS 26 1HD HIS 26 5.146 4.029 0.360 189 HD2 HIS 26 2HD HIS 26 6.989 0.574 1.774 190 HE1 HIS 26 1HE HIS 26 7.179 3.782 -0.984 191 HE2 HIS 26 2HE HIS 26 8.071 1.544 -0.376 192 H TYR 27 H TYR 27 3.556 -0.224 4.798 193 HA TYR 27 HA TYR 27 0.778 0.605 5.008 194 HB2 TYR 27 2HB TYR 27 1.674 -1.787 5.441 195 HB3 TYR 27 1HB TYR 27 2.314 -1.095 6.937 196 HD1 TYR 27 2HD TYR 27 -0.766 -1.031 4.978 197 HD2 TYR 27 1HD TYR 27 0.973 -1.355 8.806 198 HE1 TYR 27 2HE TYR 27 -2.990 -1.307 5.911 199 HE2 TYR 27 1HE TYR 27 -1.269 -1.649 9.810 200 HH TYR 27 HH TYR 27 -3.993 -2.305 7.915 201 H LEU 28 H LEU 28 0.548 2.556 5.866 202 HA LEU 28 HA LEU 28 2.651 3.634 7.578 203 HB2 LEU 28 2HB LEU 28 0.431 4.897 6.006 204 HB3 LEU 28 1HB LEU 28 1.339 5.814 7.161 205 HG LEU 28 HG LEU 28 2.008 6.276 4.965 206 HD11 LEU 28 1HD1 LEU 28 4.174 4.694 6.381 207 HD12 LEU 28 2HD1 LEU 28 3.753 6.387 6.660 208 HD13 LEU 28 3HD1 LEU 28 4.439 5.902 5.117 209 HD21 LEU 28 3HD2 LEU 28 3.071 4.668 3.474 210 HD22 LEU 28 1HD2 LEU 28 1.426 4.184 3.916 211 HD23 LEU 28 2HD2 LEU 28 2.793 3.401 4.684 212 H LEU 29 H LEU 29 2.334 3.489 9.658 213 HA LEU 29 HA LEU 29 -0.368 4.013 10.682 214 HB2 LEU 29 2HB LEU 29 1.770 2.245 11.875 215 HB3 LEU 29 1HB LEU 29 0.241 2.630 12.632 216 HG LEU 29 HG LEU 29 0.624 1.072 10.107 217 HD11 LEU 29 1HD1 LEU 29 -0.173 -0.836 11.470 218 HD12 LEU 29 2HD1 LEU 29 -0.187 0.212 12.888 219 HD13 LEU 29 3HD1 LEU 29 1.335 -0.156 12.080 220 HD21 LEU 29 3HD2 LEU 29 -1.481 2.297 10.052 221 HD22 LEU 29 1HD2 LEU 29 -1.897 1.696 11.656 222 HD23 LEU 29 2HD2 LEU 29 -1.794 0.578 10.296 223 H ILE 30 H ILE 30 0.004 4.640 13.163 224 HA ILE 30 HA ILE 30 1.624 6.985 13.102 225 HB ILE 30 HB ILE 30 0.303 5.697 15.539 226 HG12 ILE 30 2HG1 ILE 30 -0.665 7.900 13.690 227 HG13 ILE 30 1HG1 ILE 30 -1.321 6.274 13.785 228 HG21 ILE 30 1HG2 ILE 30 2.091 7.252 16.141 229 HG22 ILE 30 2HG2 ILE 30 0.518 7.943 16.552 230 HG23 ILE 30 3HG2 ILE 30 1.382 8.489 15.111 231 HD11 ILE 30 3HD1 ILE 30 -2.748 7.869 14.924 232 HD12 ILE 30 1HD1 ILE 30 -1.403 8.356 15.956 233 HD13 ILE 30 2HD1 ILE 30 -2.057 6.725 16.081 234 H LYS 31 H LYS 31 2.087 3.743 13.944 235 HA LYS 31 HA LYS 31 4.411 3.769 15.511 236 HB2 LYS 31 2HB LYS 31 3.641 1.859 13.293 237 HB3 LYS 31 1HB LYS 31 4.900 1.573 14.486 238 HG2 LYS 31 2HG LYS 31 3.245 1.546 16.255 239 HG3 LYS 31 1HG LYS 31 1.974 1.918 15.090 240 HD2 LYS 31 2HD LYS 31 2.008 -0.482 15.620 241 HD3 LYS 31 1HD LYS 31 2.394 -0.193 13.927 242 HE2 LYS 31 2HE LYS 31 4.777 -0.477 14.424 243 HE3 LYS 31 1HE LYS 31 4.397 -0.740 16.127 244 HZ1 LYS 31 3HZ LYS 31 3.584 -2.478 13.845 245 HZ2 LYS 31 1HZ LYS 31 3.148 -2.718 15.466 246 HZ3 LYS 31 2HZ LYS 31 4.759 -2.809 14.993 247 H ASP 32 H ASP 32 3.904 4.273 12.058 248 HA ASP 32 HA ASP 32 6.696 4.316 11.355 249 HB2 ASP 32 2HB ASP 32 4.239 5.196 9.819 250 HB3 ASP 32 1HB ASP 32 5.861 5.093 9.145 251 H GLY 33 H GLY 33 4.722 6.420 12.954 252 HA2 GLY 33 2HA GLY 33 5.270 8.508 13.763 253 HA3 GLY 33 1HA GLY 33 6.605 8.599 12.624 254 H CYS 34 H CYS 34 3.272 7.878 11.815 255 HA CYS 34 HA CYS 34 3.115 10.512 10.567 256 HB2 CYS 34 2HB CYS 34 3.402 8.733 8.874 257 HB3 CYS 34 1HB CYS 34 1.986 7.907 9.518 258 H ARG 35 H ARG 35 1.096 11.488 10.672 259 HA ARG 35 HA ARG 35 -0.410 10.696 12.997 260 HB2 ARG 35 2HB ARG 35 0.223 13.094 12.357 261 HB3 ARG 35 1HB ARG 35 -0.968 12.981 11.084 262 HG2 ARG 35 2HG ARG 35 -1.582 12.755 14.040 263 HG3 ARG 35 1HG ARG 35 -1.753 14.223 13.095 264 HD2 ARG 35 2HD ARG 35 -3.419 13.121 11.705 265 HD3 ARG 35 1HD ARG 35 -3.206 11.637 12.626 266 HE ARG 35 HE ARG 35 -4.002 14.036 14.038 267 HH11 ARG 35 1HH1 ARG 35 -4.824 10.859 12.762 268 HH12 ARG 35 2HH1 ARG 35 -6.336 10.762 13.532 269 HH21 ARG 35 1HH2 ARG 35 -6.104 13.925 15.111 270 HH22 ARG 35 2HH2 ARG 35 -7.080 12.556 14.884 271 H VAL 36 H VAL 36 -0.848 10.670 9.495 272 HA VAL 36 HA VAL 36 -3.531 9.617 9.858 273 HB VAL 36 HB VAL 36 -3.493 11.466 8.297 274 HG11 VAL 36 1HG1 VAL 36 -2.193 11.473 6.223 275 HG12 VAL 36 2HG1 VAL 36 -1.419 9.969 6.714 276 HG13 VAL 36 3HG1 VAL 36 -1.159 11.437 7.653 277 HG21 VAL 36 3HG2 VAL 36 -4.372 10.438 6.225 278 HG22 VAL 36 1HG2 VAL 36 -5.053 9.699 7.680 279 HG23 VAL 36 2HG2 VAL 36 -3.782 8.877 6.767 280 HA PRO 37 HA PRO 37 -1.547 5.715 8.983 281 HB2 PRO 37 2HB PRO 37 -3.217 4.125 10.390 282 HB3 PRO 37 1HB PRO 37 -2.054 5.175 11.172 283 HG2 PRO 37 2HG PRO 37 -4.981 5.569 10.869 284 HG3 PRO 37 1HG PRO 37 -3.916 5.998 12.219 285 HD2 PRO 37 2HD PRO 37 -4.825 7.721 10.186 286 HD3 PRO 37 1HD PRO 37 -3.519 8.055 11.341 287 H ALA 38 H ALA 38 -1.806 4.545 7.217 288 HA ALA 38 HA ALA 38 -4.197 3.507 6.164 289 HB1 ALA 38 1HB ALA 38 -3.096 5.937 4.725 290 HB2 ALA 38 2HB ALA 38 -4.650 5.851 5.553 291 HB3 ALA 38 3HB ALA 38 -4.361 4.871 4.114 292 H VAL 39 H VAL 39 -3.622 2.887 3.692 293 HA VAL 39 HA VAL 39 -0.795 2.130 3.743 294 HB VAL 39 HB VAL 39 -2.205 0.142 4.098 295 HG11 VAL 39 1HG1 VAL 39 -4.248 0.823 3.031 296 HG12 VAL 39 2HG1 VAL 39 -3.671 -0.704 2.353 297 HG13 VAL 39 3HG1 VAL 39 -3.447 0.790 1.449 298 HG21 VAL 39 3HG2 VAL 39 -1.339 -1.269 2.292 299 HG22 VAL 39 1HG2 VAL 39 -0.124 -0.138 2.888 300 HG23 VAL 39 2HG2 VAL 39 -0.949 0.180 1.364 301 H VAL 40 H VAL 40 0.426 2.743 2.021 302 HA VAL 40 HA VAL 40 -0.990 4.072 -0.102 303 HB VAL 40 HB VAL 40 1.001 4.973 -0.816 304 HG11 VAL 40 1HG1 VAL 40 2.171 6.008 1.075 305 HG12 VAL 40 2HG1 VAL 40 1.278 4.935 2.151 306 HG13 VAL 40 3HG1 VAL 40 0.415 6.086 1.152 307 HG21 VAL 40 3HG2 VAL 40 2.546 2.890 0.689 308 HG22 VAL 40 1HG2 VAL 40 3.295 4.308 -0.081 309 HG23 VAL 40 2HG2 VAL 40 2.406 3.141 -1.052 310 H PHE 41 H PHE 41 -1.345 3.142 -1.988 311 HA PHE 41 HA PHE 41 -0.053 0.609 -2.511 312 HB2 PHE 41 2HB PHE 41 -2.483 1.943 -3.634 313 HB3 PHE 41 1HB PHE 41 -1.774 0.621 -4.502 314 HD1 PHE 41 2HD PHE 41 -1.036 -1.126 -2.102 315 HD2 PHE 41 1HD PHE 41 -4.569 1.096 -2.997 316 HE1 PHE 41 2HE PHE 41 -2.355 -2.690 -0.784 317 HE2 PHE 41 1HE PHE 41 -5.888 -0.452 -1.676 318 HZ PHE 41 HZ PHE 41 -4.766 -2.388 -0.556 319 H THR 42 H THR 42 1.744 0.651 -3.620 320 HA THR 42 HA THR 42 2.398 2.885 -5.319 321 HB THR 42 HB THR 42 3.853 0.299 -4.697 322 HG1 THR 42 1HG THR 42 3.505 2.548 -3.312 323 HG21 THR 42 3HG2 THR 42 5.858 1.461 -5.595 324 HG22 THR 42 1HG2 THR 42 4.833 2.813 -6.104 325 HG23 THR 42 2HG2 THR 42 4.611 1.205 -6.812 326 H THR 43 H THR 43 1.230 2.843 -7.180 327 HA THR 43 HA THR 43 0.416 0.415 -8.383 328 HB THR 43 HB THR 43 -0.413 1.891 -10.206 329 HG1 THR 43 1HG THR 43 -0.127 4.213 -8.921 330 HG21 THR 43 3HG2 THR 43 -1.095 2.815 -7.411 331 HG22 THR 43 1HG2 THR 43 -1.793 1.411 -8.221 332 HG23 THR 43 2HG2 THR 43 -2.098 3.037 -8.838 333 H LEU 44 H LEU 44 0.831 0.101 -10.832 334 HA LEU 44 HA LEU 44 3.469 -0.644 -11.161 335 HB2 LEU 44 2HB LEU 44 1.273 -0.240 -13.156 336 HB3 LEU 44 1HB LEU 44 2.780 -1.067 -13.462 337 HG LEU 44 HG LEU 44 0.626 -1.936 -11.525 338 HD11 LEU 44 1HD1 LEU 44 -0.030 -2.265 -13.824 339 HD12 LEU 44 2HD1 LEU 44 0.296 -3.811 -13.045 340 HD13 LEU 44 3HD1 LEU 44 1.477 -3.113 -14.156 341 HD21 LEU 44 3HD2 LEU 44 2.827 -2.575 -10.693 342 HD22 LEU 44 1HD2 LEU 44 3.225 -3.285 -12.257 343 HD23 LEU 44 2HD2 LEU 44 1.947 -3.992 -11.266 344 H ARG 45 H ARG 45 1.862 2.268 -11.908 345 HA ARG 45 HA ARG 45 3.933 3.269 -13.669 346 HB2 ARG 45 2HB ARG 45 1.549 3.900 -13.964 347 HB3 ARG 45 1HB ARG 45 1.598 4.744 -12.427 348 HG2 ARG 45 2HG ARG 45 1.740 6.259 -14.347 349 HG3 ARG 45 1HG ARG 45 3.180 6.352 -13.330 350 HD2 ARG 45 2HD ARG 45 3.719 6.338 -15.733 351 HD3 ARG 45 1HD ARG 45 4.409 4.953 -14.893 352 HE ARG 45 HE ARG 45 1.834 4.488 -16.117 353 HH11 ARG 45 1HH1 ARG 45 5.364 4.330 -16.583 354 HH12 ARG 45 2HH1 ARG 45 5.280 3.199 -17.834 355 HH21 ARG 45 1HH2 ARG 45 1.751 2.902 -17.835 356 HH22 ARG 45 2HH2 ARG 45 3.187 2.352 -18.568 357 H GLY 46 H GLY 46 3.777 2.877 -10.377 358 HA2 GLY 46 2HA GLY 46 5.487 3.455 -8.897 359 HA3 GLY 46 1HA GLY 46 5.999 4.721 -10.006 360 H ARG 47 H ARG 47 2.663 4.613 -9.348 361 HA ARG 47 HA ARG 47 3.022 6.979 -7.718 362 HB2 ARG 47 2HB ARG 47 0.780 6.108 -9.476 363 HB3 ARG 47 1HB ARG 47 0.545 7.363 -8.272 364 HG2 ARG 47 2HG ARG 47 2.602 7.410 -10.478 365 HG3 ARG 47 1HG ARG 47 1.065 8.292 -10.514 366 HD2 ARG 47 2HD ARG 47 1.737 9.571 -8.564 367 HD3 ARG 47 1HD ARG 47 3.235 8.666 -8.431 368 HE ARG 47 HE ARG 47 2.996 9.889 -10.943 369 HH11 ARG 47 1HH1 ARG 47 3.618 10.600 -7.527 370 HH12 ARG 47 2HH1 ARG 47 4.682 11.901 -7.832 371 HH21 ARG 47 1HH2 ARG 47 4.488 11.701 -11.362 372 HH22 ARG 47 2HH2 ARG 47 5.180 12.536 -10.052 373 H GLN 48 H GLN 48 2.427 7.183 -5.786 374 HA GLN 48 HA GLN 48 1.322 4.836 -4.475 375 HB2 GLN 48 2HB GLN 48 2.654 7.297 -3.336 376 HB3 GLN 48 1HB GLN 48 2.078 5.939 -2.385 377 HG2 GLN 48 2HG GLN 48 3.662 4.470 -3.515 378 HG3 GLN 48 1HG GLN 48 4.225 5.824 -4.489 379 HE21 GLN 48 1HE2 GLN 48 5.494 7.403 -3.530 380 HE22 GLN 48 2HE2 GLN 48 6.264 7.152 -2.009 381 H LEU 49 H LEU 49 -0.705 4.794 -3.939 382 HA LEU 49 HA LEU 49 -2.135 7.306 -3.406 383 HB2 LEU 49 2HB LEU 49 -2.465 6.305 -5.778 384 HB3 LEU 49 1HB LEU 49 -3.287 4.999 -4.963 385 HG LEU 49 HG LEU 49 -4.864 6.610 -5.944 386 HD11 LEU 49 1HD1 LEU 49 -6.292 7.073 -4.072 387 HD12 LEU 49 2HD1 LEU 49 -4.989 6.613 -2.978 388 HD13 LEU 49 3HD1 LEU 49 -5.674 5.421 -4.077 389 HD21 LEU 49 3HD2 LEU 49 -3.532 8.616 -5.842 390 HD22 LEU 49 1HD2 LEU 49 -3.643 8.627 -4.083 391 HD23 LEU 49 2HD2 LEU 49 -5.092 8.868 -5.057 392 H CYS 50 H CYS 50 -3.623 7.037 -1.699 393 HA CYS 50 HA CYS 50 -3.086 4.551 -0.279 394 HB2 CYS 50 2HB CYS 50 -3.984 7.216 0.701 395 HB3 CYS 50 1HB CYS 50 -3.755 5.799 1.725 396 H ALA 51 H ALA 51 -4.561 3.351 0.791 397 HA ALA 51 HA ALA 51 -7.380 3.821 0.137 398 HB1 ALA 51 1HB ALA 51 -7.704 1.549 -0.422 399 HB2 ALA 51 2HB ALA 51 -6.044 1.103 0.055 400 HB3 ALA 51 3HB ALA 51 -6.360 2.130 -1.357 401 HA PRO 52 HA PRO 52 -8.408 3.206 4.356 402 HB2 PRO 52 2HB PRO 52 -10.633 1.638 4.280 403 HB3 PRO 52 1HB PRO 52 -10.633 3.339 3.783 404 HG2 PRO 52 2HG PRO 52 -10.314 0.886 2.062 405 HG3 PRO 52 1HG PRO 52 -11.465 2.194 1.817 406 HD2 PRO 52 2HD PRO 52 -9.254 2.135 0.468 407 HD3 PRO 52 1HD PRO 52 -9.768 3.677 1.171 408 HA PRO 53 HA PRO 53 -6.129 -0.728 4.998 409 HB2 PRO 53 2HB PRO 53 -5.309 -0.211 7.518 410 HB3 PRO 53 1HB PRO 53 -4.552 0.534 6.108 411 HG2 PRO 53 2HG PRO 53 -6.703 1.633 7.884 412 HG3 PRO 53 1HG PRO 53 -5.188 2.414 7.402 413 HD2 PRO 53 2HD PRO 53 -7.445 3.009 6.142 414 HD3 PRO 53 1HD PRO 53 -5.958 2.791 5.209 415 H ASP 54 H ASP 54 -8.915 0.389 6.605 416 HA ASP 54 HA ASP 54 -9.113 -2.013 8.273 417 HB2 ASP 54 2HB ASP 54 -9.693 0.095 9.352 418 HB3 ASP 54 1HB ASP 54 -10.922 0.407 8.129 419 H GLN 55 H GLN 55 -10.242 -0.798 5.295 420 HA GLN 55 HA GLN 55 -12.645 -2.324 5.312 421 HB2 GLN 55 2HB GLN 55 -11.316 -0.784 3.102 422 HB3 GLN 55 1HB GLN 55 -12.847 -1.631 2.920 423 HG2 GLN 55 2HG GLN 55 -12.309 0.591 4.880 424 HG3 GLN 55 1HG GLN 55 -13.165 0.761 3.346 425 HE21 GLN 55 1HE2 GLN 55 -13.309 -0.435 6.612 426 HE22 GLN 55 2HE2 GLN 55 -14.998 -0.732 6.635 427 HA PRO 56 HA PRO 56 -11.343 -6.407 4.342 428 HB2 PRO 56 2HB PRO 56 -13.805 -6.236 2.660 429 HB3 PRO 56 1HB PRO 56 -13.297 -7.501 3.776 430 HG2 PRO 56 2HG PRO 56 -15.133 -5.730 4.492 431 HG3 PRO 56 1HG PRO 56 -13.913 -6.298 5.645 432 HD2 PRO 56 2HD PRO 56 -14.154 -3.667 4.307 433 HD3 PRO 56 1HD PRO 56 -13.417 -4.110 5.858 434 H TRP 57 H TRP 57 -12.487 -4.389 1.603 435 HA TRP 57 HA TRP 57 -11.448 -6.100 -0.381 436 HB2 TRP 57 2HB TRP 57 -11.976 -4.427 -2.012 437 HB3 TRP 57 1HB TRP 57 -13.188 -4.240 -0.760 438 HD1 TRP 57 HD1 TRP 57 -13.049 -1.855 0.704 439 HE1 TRP 57 1HE TRP 57 -11.894 0.330 0.182 440 HE3 TRP 57 3HE TRP 57 -9.988 -3.421 -3.104 441 HZ2 TRP 57 2HZ TRP 57 -9.900 1.308 -1.595 442 HZ3 TRP 57 3HZ TRP 57 -8.496 -1.765 -4.140 443 HH2 TRP 57 HH2 TRP 57 -8.465 0.536 -3.398 444 H VAL 58 H VAL 58 -9.932 -3.717 1.585 445 HA VAL 58 HA VAL 58 -7.633 -3.386 -0.111 446 HB VAL 58 HB VAL 58 -8.236 -2.318 2.669 447 HG11 VAL 58 1HG1 VAL 58 -5.885 -1.677 0.899 448 HG12 VAL 58 2HG1 VAL 58 -5.813 -2.631 2.384 449 HG13 VAL 58 3HG1 VAL 58 -6.258 -0.924 2.442 450 HG21 VAL 58 3HG2 VAL 58 -8.067 -0.946 -0.011 451 HG22 VAL 58 1HG2 VAL 58 -8.372 -0.156 1.521 452 HG23 VAL 58 2HG2 VAL 58 -9.545 -1.295 0.874 453 H GLU 59 H GLU 59 -8.390 -5.100 2.904 454 HA GLU 59 HA GLU 59 -5.667 -5.642 3.290 455 HB2 GLU 59 2HB GLU 59 -6.300 -7.150 5.158 456 HB3 GLU 59 1HB GLU 59 -6.951 -5.533 5.273 457 HG2 GLU 59 2HG GLU 59 -8.624 -6.995 6.026 458 HG3 GLU 59 1HG GLU 59 -9.123 -6.497 4.413 459 H ARG 60 H ARG 60 -8.043 -7.419 1.572 460 HA ARG 60 HA ARG 60 -6.622 -9.838 1.275 461 HB2 ARG 60 2HB ARG 60 -8.433 -8.481 -0.733 462 HB3 ARG 60 1HB ARG 60 -7.840 -10.126 -0.877 463 HG2 ARG 60 2HG ARG 60 -9.659 -9.060 1.268 464 HG3 ARG 60 1HG ARG 60 -10.108 -10.101 -0.084 465 HD2 ARG 60 2HD ARG 60 -8.226 -10.820 2.171 466 HD3 ARG 60 1HD ARG 60 -9.873 -11.397 1.963 467 HE ARG 60 HE ARG 60 -8.594 -12.088 -0.348 468 HH11 ARG 60 1HH1 ARG 60 -8.074 -12.783 3.100 469 HH12 ARG 60 2HH1 ARG 60 -7.370 -14.301 2.830 470 HH21 ARG 60 1HH2 ARG 60 -7.629 -14.197 -0.700 471 HH22 ARG 60 2HH2 ARG 60 -7.098 -15.109 0.626 472 H ILE 61 H ILE 61 -6.565 -6.934 -0.714 473 HA ILE 61 HA ILE 61 -4.554 -7.969 -2.406 474 HB ILE 61 HB ILE 61 -4.351 -5.554 -3.227 475 HG12 ILE 61 2HG1 ILE 61 -6.778 -5.268 -1.440 476 HG13 ILE 61 1HG1 ILE 61 -5.237 -4.454 -1.239 477 HG21 ILE 61 1HG2 ILE 61 -6.529 -5.765 -4.515 478 HG22 ILE 61 2HG2 ILE 61 -6.990 -7.041 -3.396 479 HG23 ILE 61 3HG2 ILE 61 -5.610 -7.251 -4.453 480 HD11 ILE 61 3HD1 ILE 61 -7.159 -4.064 -3.519 481 HD12 ILE 61 1HD1 ILE 61 -5.634 -3.201 -3.278 482 HD13 ILE 61 2HD1 ILE 61 -6.955 -2.994 -2.137 483 H ILE 62 H ILE 62 -4.432 -6.004 0.452 484 HA ILE 62 HA ILE 62 -1.679 -5.443 0.486 485 HB ILE 62 HB ILE 62 -3.471 -6.130 2.842 486 HG12 ILE 62 2HG1 ILE 62 -2.546 -3.469 1.746 487 HG13 ILE 62 1HG1 ILE 62 -4.172 -4.124 1.691 488 HG21 ILE 62 1HG2 ILE 62 -1.781 -5.104 4.295 489 HG22 ILE 62 2HG2 ILE 62 -0.697 -4.951 2.908 490 HG23 ILE 62 3HG2 ILE 62 -1.181 -6.549 3.478 491 HD11 ILE 62 3HD1 ILE 62 -4.319 -4.018 4.130 492 HD12 ILE 62 1HD1 ILE 62 -3.971 -2.433 3.445 493 HD13 ILE 62 2HD1 ILE 62 -2.683 -3.370 4.200 494 H GLN 63 H GLN 63 -3.380 -8.335 1.707 495 HA GLN 63 HA GLN 63 -1.074 -9.766 2.565 496 HB2 GLN 63 2HB GLN 63 -3.682 -10.918 1.557 497 HB3 GLN 63 1HB GLN 63 -2.463 -11.773 2.481 498 HG2 GLN 63 2HG GLN 63 -4.221 -9.525 3.423 499 HG3 GLN 63 1HG GLN 63 -4.319 -11.225 3.866 500 HE21 GLN 63 1HE2 GLN 63 -2.701 -8.235 4.358 501 HE22 GLN 63 2HE2 GLN 63 -1.744 -8.739 5.705 502 H ARG 64 H ARG 64 -2.780 -9.570 -0.419 503 HA ARG 64 HA ARG 64 -1.523 -11.537 -1.920 504 HB2 ARG 64 2HB ARG 64 -3.497 -10.275 -2.587 505 HB3 ARG 64 1HB ARG 64 -2.492 -8.852 -2.794 506 HG2 ARG 64 2HG ARG 64 -1.268 -9.913 -4.548 507 HG3 ARG 64 1HG ARG 64 -2.181 -11.409 -4.328 508 HD2 ARG 64 2HD ARG 64 -3.269 -8.751 -4.965 509 HD3 ARG 64 1HD ARG 64 -3.074 -10.034 -6.185 510 HE ARG 64 HE ARG 64 -4.625 -10.888 -3.961 511 HH11 ARG 64 1HH1 ARG 64 -4.860 -9.001 -6.928 512 HH12 ARG 64 2HH1 ARG 64 -6.556 -9.075 -7.032 513 HH21 ARG 64 1HH2 ARG 64 -6.988 -10.991 -4.065 514 HH22 ARG 64 2HH2 ARG 64 -7.797 -10.215 -5.333 515 H LEU 65 H LEU 65 -0.636 -8.106 -1.530 516 HA LEU 65 HA LEU 65 1.720 -8.354 -3.098 517 HB2 LEU 65 2HB LEU 65 0.982 -6.286 -1.048 518 HB3 LEU 65 1HB LEU 65 2.306 -6.151 -2.184 519 HG LEU 65 HG LEU 65 -0.633 -6.193 -2.844 520 HD11 LEU 65 1HD1 LEU 65 0.123 -4.139 -1.850 521 HD12 LEU 65 2HD1 LEU 65 -0.211 -3.883 -3.565 522 HD13 LEU 65 3HD1 LEU 65 1.448 -4.037 -3.015 523 HD21 LEU 65 3HD2 LEU 65 1.759 -5.958 -4.673 524 HD22 LEU 65 1HD2 LEU 65 0.077 -5.756 -5.157 525 HD23 LEU 65 2HD2 LEU 65 0.650 -7.324 -4.592 526 H GLN 66 H GLN 66 0.975 -8.768 0.288 527 HA GLN 66 HA GLN 66 3.532 -8.722 1.315 528 HB2 GLN 66 2HB GLN 66 1.108 -10.165 2.280 529 HB3 GLN 66 1HB GLN 66 2.656 -10.320 3.100 530 HG2 GLN 66 2HG GLN 66 2.719 -7.874 3.280 531 HG3 GLN 66 1HG GLN 66 1.080 -7.820 2.645 532 HE21 GLN 66 1HE2 GLN 66 0.343 -6.884 4.614 533 HE22 GLN 66 2HE2 GLN 66 0.140 -7.857 6.027 534 H ARG 67 H ARG 67 2.267 -11.064 -0.706 535 HA ARG 67 HA ARG 67 3.784 -13.316 -0.016 536 HB2 ARG 67 2HB ARG 67 3.681 -14.070 -2.338 537 HB3 ARG 67 1HB ARG 67 2.141 -13.376 -1.876 538 HG2 ARG 67 2HG ARG 67 2.681 -11.328 -3.081 539 HG3 ARG 67 1HG ARG 67 4.263 -11.983 -3.504 540 HD2 ARG 67 2HD ARG 67 1.588 -13.122 -4.332 541 HD3 ARG 67 1HD ARG 67 2.691 -12.204 -5.357 542 HE ARG 67 HE ARG 67 4.007 -14.425 -4.235 543 HH11 ARG 67 1HH1 ARG 67 1.731 -13.593 -6.825 544 HH12 ARG 67 2HH1 ARG 67 2.077 -14.982 -7.753 545 HH21 ARG 67 1HH2 ARG 67 4.462 -16.338 -5.533 546 HH22 ARG 67 2HH2 ARG 67 3.642 -16.531 -7.013 547 H THR 68 H THR 68 4.834 -10.359 -1.595 548 HA THR 68 HA THR 68 7.430 -11.339 -2.281 549 HB THR 68 HB THR 68 8.001 -8.972 -2.691 550 HG1 THR 68 1HG THR 68 5.290 -8.293 -2.062 551 HG21 THR 68 3HG2 THR 68 5.338 -9.805 -3.854 552 HG22 THR 68 1HG2 THR 68 6.926 -10.252 -4.473 553 HG23 THR 68 2HG2 THR 68 6.398 -8.567 -4.526 554 H SER 69 H SER 69 6.010 -9.876 0.409 555 HA SER 69 HA SER 69 8.469 -9.249 1.768 556 HB2 SER 69 2HB SER 69 6.425 -7.897 2.138 557 HB3 SER 69 1HB SER 69 5.618 -9.304 2.814 558 HG SER 69 HG SER 69 7.963 -8.885 4.109 559 H ALA 70 H ALA 70 6.084 -11.823 1.779 560 HA ALA 70 HA ALA 70 7.172 -13.273 3.975 561 HB1 ALA 70 1HB ALA 70 5.786 -15.134 3.167 562 HB2 ALA 70 2HB ALA 70 5.497 -14.261 1.663 563 HB3 ALA 70 3HB ALA 70 4.874 -13.622 3.184 564 H LYS 71 H LYS 71 7.993 -12.927 0.700 565 HA LYS 71 HA LYS 71 9.734 -15.227 0.536 566 HB2 LYS 71 2HB LYS 71 8.574 -14.362 -1.464 567 HB3 LYS 71 1HB LYS 71 9.389 -12.821 -1.264 568 HG2 LYS 71 2HG LYS 71 11.535 -13.872 -1.739 569 HG3 LYS 71 1HG LYS 71 10.746 -15.441 -1.872 570 HD2 LYS 71 2HD LYS 71 11.156 -14.507 -4.093 571 HD3 LYS 71 1HD LYS 71 9.427 -14.610 -3.773 572 HE2 LYS 71 2HE LYS 71 9.965 -12.507 -4.854 573 HE3 LYS 71 1HE LYS 71 9.399 -12.205 -3.217 574 HZ1 LYS 71 3HZ LYS 71 11.773 -11.925 -2.546 575 HZ2 LYS 71 1HZ LYS 71 11.307 -10.845 -3.744 576 HZ3 LYS 71 2HZ LYS 71 12.228 -12.169 -4.144 577 H MET 72 H MET 72 9.865 -11.952 1.548 578 HA MET 72 HA MET 72 12.762 -11.828 1.471 579 HB2 MET 72 2HB MET 72 11.513 -9.839 0.755 580 HB3 MET 72 1HB MET 72 10.708 -9.789 2.316 581 HG2 MET 72 2HG MET 72 12.464 -8.123 2.195 582 HG3 MET 72 1HG MET 72 12.835 -9.336 3.416 583 HE1 MET 72 3HE MET 72 16.360 -8.326 2.075 584 HE2 MET 72 1HE MET 72 15.341 -8.517 3.502 585 HE3 MET 72 2HE MET 72 14.955 -7.285 2.301 586 H LYS 73 H LYS 73 13.617 -12.961 3.056 587 HA LYS 73 HA LYS 73 12.349 -13.063 5.630 588 HB2 LYS 73 2HB LYS 73 14.889 -14.357 4.608 589 HB3 LYS 73 1HB LYS 73 14.386 -14.466 6.284 590 HG2 LYS 73 2HG LYS 73 13.769 -16.484 5.103 591 HG3 LYS 73 1HG LYS 73 12.316 -15.613 5.573 592 HD2 LYS 73 2HD LYS 73 12.144 -14.731 3.284 593 HD3 LYS 73 1HD LYS 73 13.577 -15.650 2.828 594 HE2 LYS 73 2HE LYS 73 10.960 -16.795 3.819 595 HE3 LYS 73 1HE LYS 73 11.521 -16.784 2.150 596 HZ1 LYS 73 3HZ LYS 73 12.819 -18.229 4.407 597 HZ2 LYS 73 1HZ LYS 73 13.368 -18.229 2.806 598 HZ3 LYS 73 2HZ LYS 73 11.886 -18.912 3.187 599 H ARG 74 H ARG 74 12.438 -11.433 6.851 600 HA ARG 74 HA ARG 74 13.110 -9.809 8.191 601 HB2 ARG 74 2HB ARG 74 15.013 -11.214 8.861 602 HB3 ARG 74 1HB ARG 74 15.949 -10.613 7.500 603 HG2 ARG 74 2HG ARG 74 16.658 -9.521 9.518 604 HG3 ARG 74 1HG ARG 74 15.843 -8.358 8.470 605 HD2 ARG 74 2HD ARG 74 13.791 -8.620 9.786 606 HD3 ARG 74 1HD ARG 74 14.617 -9.768 10.841 607 HE ARG 74 HE ARG 74 15.865 -7.191 10.571 608 HH11 ARG 74 1HH1 ARG 74 13.596 -9.131 12.475 609 HH12 ARG 74 2HH1 ARG 74 13.789 -8.203 13.881 610 HH21 ARG 74 1HH2 ARG 74 16.097 -5.932 12.438 611 HH22 ARG 74 2HH2 ARG 74 15.264 -6.295 13.883 612 H ARG 75 H ARG 75 12.349 -8.046 7.296 613 HA ARG 75 HA ARG 75 13.832 -6.844 5.080 614 HB2 ARG 75 2HB ARG 75 11.809 -5.536 4.629 615 HB3 ARG 75 1HB ARG 75 11.451 -7.253 4.620 616 HG2 ARG 75 2HG ARG 75 10.488 -7.055 6.869 617 HG3 ARG 75 1HG ARG 75 10.855 -5.331 6.875 618 HD2 ARG 75 2HD ARG 75 9.380 -5.036 4.918 619 HD3 ARG 75 1HD ARG 75 8.987 -6.756 4.968 620 HE ARG 75 HE ARG 75 8.496 -5.571 7.466 621 HH11 ARG 75 1HH1 ARG 75 7.069 -5.739 4.200 622 HH12 ARG 75 2HH1 ARG 75 5.503 -5.354 4.719 623 HH21 ARG 75 1HH2 ARG 75 6.278 -5.061 8.160 624 HH22 ARG 75 2HH2 ARG 75 5.043 -4.967 6.991 625 H SER 76 H SER 76 14.606 -4.752 5.216 626 HA SER 76 HA SER 76 14.662 -3.690 7.906 627 HB2 SER 76 2HB SER 76 16.505 -2.220 7.019 628 HB3 SER 76 1HB SER 76 16.862 -3.943 6.956 629 HG SER 76 HG SER 76 15.818 -2.434 4.803 630 H SER 77 H SER 77 12.487 -3.038 7.759 631 HA SER 77 HA SER 77 12.215 -0.323 6.886 632 HB2 SER 77 2HB SER 77 10.341 -2.480 5.827 633 HB3 SER 77 1HB SER 77 10.132 -0.746 5.608 634 HG SER 77 HG SER 77 12.574 -1.417 4.808 Start of MODEL 18 1 H1 GLY 1 1HT GLY 1 8.822 18.861 -10.344 2 H2 GLY 1 2HT GLY 1 7.401 19.269 -9.582 3 H3 GLY 1 3HT GLY 1 7.522 19.414 -11.271 4 HA2 GLY 1 1HA GLY 1 6.277 17.428 -10.695 5 HA3 GLY 1 2HA GLY 1 7.816 17.006 -11.429 6 H THR 2 H THR 2 5.779 16.365 -8.914 7 HA THR 2 HA THR 2 7.758 14.770 -7.599 8 HB THR 2 HB THR 2 8.023 16.956 -6.427 9 HG1 THR 2 1HG THR 2 7.636 16.187 -4.331 10 HG21 THR 2 3HG2 THR 2 6.174 17.895 -5.098 11 HG22 THR 2 1HG2 THR 2 5.091 16.656 -5.735 12 HG23 THR 2 2HG2 THR 2 5.768 17.867 -6.815 13 H ASN 3 H ASN 3 6.665 13.233 -6.151 14 HA ASN 3 HA ASN 3 3.953 12.711 -7.015 15 HB2 ASN 3 2HB ASN 3 5.619 11.192 -4.955 16 HB3 ASN 3 1HB ASN 3 4.074 10.680 -5.600 17 HD21 ASN 3 1HD2 ASN 3 7.481 10.909 -6.179 18 HD22 ASN 3 2HD2 ASN 3 7.519 9.958 -7.605 19 H ASP 4 H ASP 4 5.683 13.356 -4.000 20 HA ASP 4 HA ASP 4 3.944 15.302 -3.077 21 HB2 ASP 4 2HB ASP 4 2.443 13.233 -2.699 22 HB3 ASP 4 1HB ASP 4 3.637 12.695 -1.524 23 H ALA 5 H ALA 5 4.623 15.871 -0.768 24 HA ALA 5 HA ALA 5 7.478 15.530 -0.699 25 HB1 ALA 5 1HB ALA 5 7.498 17.306 0.969 26 HB2 ALA 5 2HB ALA 5 5.739 17.243 1.066 27 HB3 ALA 5 3HB ALA 5 6.520 17.780 -0.421 28 H GLU 6 H GLU 6 4.871 14.190 0.736 29 HA GLU 6 HA GLU 6 6.376 13.299 3.077 30 HB2 GLU 6 2HB GLU 6 3.462 13.283 2.432 31 HB3 GLU 6 1HB GLU 6 4.109 12.293 3.729 32 HG2 GLU 6 2HG GLU 6 4.464 15.270 3.522 33 HG3 GLU 6 1HG GLU 6 3.211 14.470 4.476 34 H ASP 7 H ASP 7 6.577 11.177 3.684 35 HA ASP 7 HA ASP 7 6.608 9.212 1.526 36 HB2 ASP 7 2HB ASP 7 8.453 9.355 3.267 37 HB3 ASP 7 1HB ASP 7 7.267 8.841 4.463 38 H CYS 8 H CYS 8 4.822 10.138 4.255 39 HA CYS 8 HA CYS 8 3.169 7.883 4.159 40 HB2 CYS 8 2HB CYS 8 3.055 10.422 5.763 41 HB3 CYS 8 1HB CYS 8 1.928 9.088 5.933 42 H CYS 9 H CYS 9 0.622 8.551 4.231 43 HA CYS 9 HA CYS 9 0.269 10.062 1.740 44 HB2 CYS 9 2HB CYS 9 -0.525 7.494 2.355 45 HB3 CYS 9 1HB CYS 9 -1.959 8.479 2.681 46 H LEU 10 H LEU 10 -2.238 10.829 1.722 47 HA LEU 10 HA LEU 10 -2.532 12.307 4.241 48 HB2 LEU 10 2HB LEU 10 -3.044 13.284 1.475 49 HB3 LEU 10 1HB LEU 10 -3.622 14.098 2.913 50 HG LEU 10 HG LEU 10 -1.165 14.148 3.633 51 HD11 LEU 10 1HD1 LEU 10 -0.228 12.612 2.034 52 HD12 LEU 10 2HD1 LEU 10 0.485 14.215 1.853 53 HD13 LEU 10 3HD1 LEU 10 -0.728 13.656 0.703 54 HD21 LEU 10 3HD2 LEU 10 -0.833 16.218 2.419 55 HD22 LEU 10 1HD2 LEU 10 -2.456 15.980 3.083 56 HD23 LEU 10 2HD2 LEU 10 -2.188 15.749 1.345 57 H SER 11 H SER 11 -4.511 11.056 1.498 58 HA SER 11 HA SER 11 -6.740 10.753 3.348 59 HB2 SER 11 2HB SER 11 -8.218 12.207 1.903 60 HB3 SER 11 1HB SER 11 -6.997 13.083 2.830 61 HG SER 11 HG SER 11 -7.320 12.913 0.121 62 H VAL 12 H VAL 12 -8.137 9.106 2.670 63 HA VAL 12 HA VAL 12 -7.484 8.047 0.013 64 HB VAL 12 HB VAL 12 -8.017 5.920 0.652 65 HG11 VAL 12 1HG1 VAL 12 -6.113 6.478 1.891 66 HG12 VAL 12 2HG1 VAL 12 -7.102 5.417 2.886 67 HG13 VAL 12 3HG1 VAL 12 -7.068 7.154 3.214 68 HG21 VAL 12 3HG2 VAL 12 -9.744 6.881 2.959 69 HG22 VAL 12 1HG2 VAL 12 -9.438 5.198 2.473 70 HG23 VAL 12 2HG2 VAL 12 -10.286 6.275 1.379 71 H THR 13 H THR 13 -9.228 7.338 -1.322 72 HA THR 13 HA THR 13 -11.592 9.010 -0.883 73 HB THR 13 HB THR 13 -10.391 9.410 -3.045 74 HG1 THR 13 1HG THR 13 -12.536 9.874 -3.056 75 HG21 THR 13 3HG2 THR 13 -9.601 7.125 -3.478 76 HG22 THR 13 1HG2 THR 13 -10.531 7.725 -4.850 77 HG23 THR 13 2HG2 THR 13 -11.257 6.589 -3.712 78 H GLN 14 H GLN 14 -13.575 7.906 -2.183 79 HA GLN 14 HA GLN 14 -14.817 6.128 -0.550 80 HB2 GLN 14 2HB GLN 14 -15.080 6.237 -3.549 81 HB3 GLN 14 1HB GLN 14 -16.235 5.475 -2.464 82 HG2 GLN 14 2HG GLN 14 -16.700 7.614 -1.424 83 HG3 GLN 14 1HG GLN 14 -15.495 8.388 -2.454 84 HE21 GLN 14 1HE2 GLN 14 -18.610 6.890 -2.337 85 HE22 GLN 14 2HE2 GLN 14 -19.163 7.475 -3.866 86 H LYS 15 H LYS 15 -13.088 5.118 -3.505 87 HA LYS 15 HA LYS 15 -11.883 3.056 -2.060 88 HB2 LYS 15 2HB LYS 15 -14.016 1.956 -2.626 89 HB3 LYS 15 1HB LYS 15 -13.714 2.250 -4.335 90 HG2 LYS 15 2HG LYS 15 -11.777 0.858 -4.290 91 HG3 LYS 15 1HG LYS 15 -11.924 0.650 -2.546 92 HD2 LYS 15 2HD LYS 15 -13.960 -0.283 -4.583 93 HD3 LYS 15 1HD LYS 15 -12.749 -1.317 -3.831 94 HE2 LYS 15 2HE LYS 15 -13.718 -0.833 -1.614 95 HE3 LYS 15 1HE LYS 15 -14.941 0.178 -2.374 96 HZ1 LYS 15 3HZ LYS 15 -15.768 -2.047 -1.873 97 HZ2 LYS 15 1HZ LYS 15 -14.602 -2.732 -2.888 98 HZ3 LYS 15 2HZ LYS 15 -15.788 -1.730 -3.523 99 HA PRO 16 HA PRO 16 -9.097 5.383 -4.666 100 HB2 PRO 16 2HB PRO 16 -6.958 3.586 -3.932 101 HB3 PRO 16 1HB PRO 16 -7.302 5.202 -3.357 102 HG2 PRO 16 2HG PRO 16 -8.017 2.607 -2.128 103 HG3 PRO 16 1HG PRO 16 -7.743 4.172 -1.419 104 HD2 PRO 16 2HD PRO 16 -10.099 3.118 -1.562 105 HD3 PRO 16 1HD PRO 16 -9.779 4.855 -1.707 106 H ILE 17 H ILE 17 -7.824 2.048 -4.965 107 HA ILE 17 HA ILE 17 -8.447 2.097 -7.824 108 HB ILE 17 HB ILE 17 -6.175 1.575 -8.514 109 HG12 ILE 17 2HG1 ILE 17 -5.271 0.494 -6.495 110 HG13 ILE 17 1HG1 ILE 17 -4.185 1.740 -7.074 111 HG21 ILE 17 1HG2 ILE 17 -6.268 4.155 -7.041 112 HG22 ILE 17 2HG2 ILE 17 -6.719 3.834 -8.718 113 HG23 ILE 17 3HG2 ILE 17 -5.033 3.703 -8.213 114 HD11 ILE 17 3HD1 ILE 17 -6.036 1.926 -4.698 115 HD12 ILE 17 1HD1 ILE 17 -4.981 3.219 -5.273 116 HD13 ILE 17 2HD1 ILE 17 -4.287 1.714 -4.671 117 HA PRO 18 HA PRO 18 -8.694 -2.322 -7.203 118 HB2 PRO 18 2HB PRO 18 -7.374 -3.248 -9.463 119 HB3 PRO 18 1HB PRO 18 -9.081 -2.795 -9.418 120 HG2 PRO 18 2HG PRO 18 -6.726 -1.219 -10.354 121 HG3 PRO 18 1HG PRO 18 -8.360 -1.318 -11.037 122 HD2 PRO 18 2HD PRO 18 -7.588 0.799 -9.593 123 HD3 PRO 18 1HD PRO 18 -9.233 0.160 -9.488 124 H GLY 19 H GLY 19 -7.455 -3.554 -5.977 125 HA2 GLY 19 2HA GLY 19 -4.785 -2.750 -5.358 126 HA3 GLY 19 1HA GLY 19 -5.666 -4.063 -4.620 127 H TYR 20 H TYR 20 -5.741 -4.587 -7.837 128 HA TYR 20 HA TYR 20 -3.530 -6.405 -7.563 129 HB2 TYR 20 2HB TYR 20 -5.694 -6.286 -9.670 130 HB3 TYR 20 1HB TYR 20 -4.367 -7.448 -9.603 131 HD1 TYR 20 1HD TYR 20 -4.271 -9.154 -7.865 132 HD2 TYR 20 2HD TYR 20 -7.555 -6.469 -8.148 133 HE1 TYR 20 1HE TYR 20 -5.575 -10.602 -6.373 134 HE2 TYR 20 2HE TYR 20 -8.868 -7.904 -6.657 135 HH TYR 20 HH TYR 20 -7.479 -10.394 -4.831 136 H ILE 21 H ILE 21 -3.978 -3.304 -8.805 137 HA ILE 21 HA ILE 21 -1.919 -3.669 -10.885 138 HB ILE 21 HB ILE 21 -2.373 -1.385 -11.610 139 HG12 ILE 21 2HG1 ILE 21 -4.454 -1.283 -9.406 140 HG13 ILE 21 1HG1 ILE 21 -2.917 -0.430 -9.380 141 HG21 ILE 21 1HG2 ILE 21 -4.690 -1.675 -12.381 142 HG22 ILE 21 2HG2 ILE 21 -4.881 -3.007 -11.244 143 HG23 ILE 21 3HG2 ILE 21 -3.722 -3.141 -12.567 144 HD11 ILE 21 3HD1 ILE 21 -5.139 0.002 -11.367 145 HD12 ILE 21 1HD1 ILE 21 -3.609 0.870 -11.325 146 HD13 ILE 21 2HD1 ILE 21 -4.751 1.043 -9.995 147 H VAL 22 H VAL 22 -1.945 -3.203 -7.741 148 HA VAL 22 HA VAL 22 0.220 -1.283 -7.666 149 HB VAL 22 HB VAL 22 -1.335 -0.942 -5.893 150 HG11 VAL 22 1HG1 VAL 22 -2.476 -3.014 -5.820 151 HG12 VAL 22 2HG1 VAL 22 -1.803 -2.716 -4.218 152 HG13 VAL 22 3HG1 VAL 22 -1.026 -3.868 -5.299 153 HG21 VAL 22 3HG2 VAL 22 1.053 -2.387 -4.779 154 HG22 VAL 22 1HG2 VAL 22 0.026 -1.246 -3.903 155 HG23 VAL 22 2HG2 VAL 22 0.991 -0.696 -5.262 156 H ARG 23 H ARG 23 2.227 -1.622 -7.346 157 HA ARG 23 HA ARG 23 3.173 -4.312 -7.903 158 HB2 ARG 23 2HB ARG 23 4.071 -1.843 -8.757 159 HB3 ARG 23 1HB ARG 23 4.980 -2.042 -7.313 160 HG2 ARG 23 2HG ARG 23 5.071 -4.080 -9.529 161 HG3 ARG 23 1HG ARG 23 6.249 -2.793 -9.281 162 HD2 ARG 23 2HD ARG 23 6.839 -3.712 -7.121 163 HD3 ARG 23 1HD ARG 23 5.576 -4.926 -7.267 164 HE ARG 23 HE ARG 23 7.371 -5.094 -9.423 165 HH11 ARG 23 1HH1 ARG 23 7.185 -5.712 -5.966 166 HH12 ARG 23 2HH1 ARG 23 8.220 -7.070 -5.964 167 HH21 ARG 23 1HH2 ARG 23 8.837 -6.960 -9.461 168 HH22 ARG 23 2HH2 ARG 23 9.167 -7.797 -8.007 169 H ASN 24 H ASN 24 3.761 -1.743 -5.507 170 HA ASN 24 HA ASN 24 4.082 -3.714 -3.383 171 HB2 ASN 24 2HB ASN 24 6.049 -1.485 -3.969 172 HB3 ASN 24 1HB ASN 24 5.948 -2.300 -2.420 173 HD21 ASN 24 1HD2 ASN 24 6.637 -4.422 -2.276 174 HD22 ASN 24 2HD2 ASN 24 7.676 -5.136 -3.453 175 H PHE 25 H PHE 25 3.494 -2.896 -1.391 176 HA PHE 25 HA PHE 25 2.153 -0.291 -1.537 177 HB2 PHE 25 2HB PHE 25 0.605 -1.074 0.115 178 HB3 PHE 25 1HB PHE 25 0.575 -2.205 -1.205 179 HD1 PHE 25 1HD PHE 25 1.781 -4.416 -0.970 180 HD2 PHE 25 2HD PHE 25 1.193 -1.792 2.326 181 HE1 PHE 25 1HE PHE 25 2.239 -6.264 0.579 182 HE2 PHE 25 2HE PHE 25 1.658 -3.639 3.880 183 HZ PHE 25 HZ PHE 25 2.180 -5.875 3.004 184 H HIS 26 H HIS 26 2.368 1.038 0.328 185 HA HIS 26 HA HIS 26 4.399 0.063 2.193 186 HB2 HIS 26 2HB HIS 26 3.949 2.991 1.434 187 HB3 HIS 26 1HB HIS 26 5.114 2.394 2.590 188 HD1 HIS 26 1HD HIS 26 5.394 3.922 -0.418 189 HD2 HIS 26 2HD HIS 26 6.609 0.132 0.819 190 HE1 HIS 26 1HE HIS 26 7.180 3.230 -2.003 191 HE2 HIS 26 2HE HIS 26 7.736 0.880 -1.387 192 H TYR 27 H TYR 27 3.759 0.004 4.244 193 HA TYR 27 HA TYR 27 0.975 0.736 4.698 194 HB2 TYR 27 2HB TYR 27 2.095 -1.596 5.063 195 HB3 TYR 27 1HB TYR 27 2.722 -0.847 6.529 196 HD1 TYR 27 2HD TYR 27 -0.465 -0.971 4.708 197 HD2 TYR 27 1HD TYR 27 1.489 -1.323 8.435 198 HE1 TYR 27 2HE TYR 27 -2.605 -1.441 5.729 199 HE2 TYR 27 1HE TYR 27 -0.685 -1.819 9.525 200 HH TYR 27 HH TYR 27 -3.482 -2.576 7.762 201 H LEU 28 H LEU 28 0.769 2.727 5.523 202 HA LEU 28 HA LEU 28 2.881 3.793 7.247 203 HB2 LEU 28 2HB LEU 28 0.659 5.154 5.733 204 HB3 LEU 28 1HB LEU 28 1.731 6.010 6.789 205 HG LEU 28 HG LEU 28 2.283 6.438 4.596 206 HD11 LEU 28 1HD1 LEU 28 4.363 4.513 5.658 207 HD12 LEU 28 2HD1 LEU 28 4.213 6.227 6.064 208 HD13 LEU 28 3HD1 LEU 28 4.638 5.758 4.429 209 HD21 LEU 28 3HD2 LEU 28 2.958 4.808 2.931 210 HD22 LEU 28 1HD2 LEU 28 1.311 4.545 3.498 211 HD23 LEU 28 2HD2 LEU 28 2.617 3.510 4.079 212 H LEU 29 H LEU 29 2.497 3.857 9.345 213 HA LEU 29 HA LEU 29 -0.282 4.063 10.279 214 HB2 LEU 29 2HB LEU 29 1.941 2.399 11.420 215 HB3 LEU 29 1HB LEU 29 0.417 2.674 12.219 216 HG LEU 29 HG LEU 29 0.832 1.206 9.633 217 HD11 LEU 29 1HD1 LEU 29 0.211 -0.770 10.968 218 HD12 LEU 29 2HD1 LEU 29 0.129 0.248 12.404 219 HD13 LEU 29 3HD1 LEU 29 1.667 0.005 11.585 220 HD21 LEU 29 3HD2 LEU 29 -1.341 2.319 9.670 221 HD22 LEU 29 1HD2 LEU 29 -1.677 1.642 11.262 222 HD23 LEU 29 2HD2 LEU 29 -1.540 0.577 9.863 223 H ILE 30 H ILE 30 -0.281 4.725 12.663 224 HA ILE 30 HA ILE 30 1.356 7.078 12.959 225 HB ILE 30 HB ILE 30 -0.476 5.827 15.054 226 HG12 ILE 30 2HG1 ILE 30 -1.146 7.941 12.980 227 HG13 ILE 30 1HG1 ILE 30 -1.701 6.274 12.932 228 HG21 ILE 30 1HG2 ILE 30 1.124 7.511 15.876 229 HG22 ILE 30 2HG2 ILE 30 -0.529 8.131 15.964 230 HG23 ILE 30 3HG2 ILE 30 0.555 8.649 14.670 231 HD11 ILE 30 3HD1 ILE 30 -3.439 7.755 13.750 232 HD12 ILE 30 1HD1 ILE 30 -2.374 8.310 15.044 233 HD13 ILE 30 2HD1 ILE 30 -2.930 6.636 15.012 234 H LYS 31 H LYS 31 1.373 3.786 13.809 235 HA LYS 31 HA LYS 31 3.136 3.670 15.935 236 HB2 LYS 31 2HB LYS 31 1.701 1.877 15.177 237 HB3 LYS 31 1HB LYS 31 2.519 1.825 13.625 238 HG2 LYS 31 2HG LYS 31 4.505 1.182 14.685 239 HG3 LYS 31 1HG LYS 31 3.751 1.151 16.288 240 HD2 LYS 31 2HD LYS 31 3.060 -0.599 13.894 241 HD3 LYS 31 1HD LYS 31 3.812 -1.137 15.396 242 HE2 LYS 31 2HE LYS 31 1.753 -0.494 16.618 243 HE3 LYS 31 1HE LYS 31 1.021 -0.020 15.089 244 HZ1 LYS 31 3HZ LYS 31 1.224 -2.318 14.334 245 HZ2 LYS 31 1HZ LYS 31 0.325 -2.211 15.745 246 HZ3 LYS 31 2HZ LYS 31 1.908 -2.757 15.808 247 H ASP 32 H ASP 32 3.498 4.208 12.507 248 HA ASP 32 HA ASP 32 6.383 3.958 12.587 249 HB2 ASP 32 2HB ASP 32 4.484 4.635 10.327 250 HB3 ASP 32 1HB ASP 32 6.232 4.612 10.147 251 H GLY 33 H GLY 33 4.065 6.326 13.176 252 HA2 GLY 33 2HA GLY 33 5.174 8.238 14.336 253 HA3 GLY 33 1HA GLY 33 6.097 8.439 12.866 254 H CYS 34 H CYS 34 4.102 8.174 10.951 255 HA CYS 34 HA CYS 34 3.105 10.800 10.949 256 HB2 CYS 34 2HB CYS 34 2.356 8.463 9.199 257 HB3 CYS 34 1HB CYS 34 1.868 10.127 8.898 258 H ARG 35 H ARG 35 1.164 11.690 11.305 259 HA ARG 35 HA ARG 35 -0.483 10.424 13.271 260 HB2 ARG 35 2HB ARG 35 -0.860 13.016 11.782 261 HB3 ARG 35 1HB ARG 35 -1.841 12.488 13.136 262 HG2 ARG 35 2HG ARG 35 0.117 12.530 14.580 263 HG3 ARG 35 1HG ARG 35 1.110 13.033 13.211 264 HD2 ARG 35 2HD ARG 35 -0.225 15.062 12.978 265 HD3 ARG 35 1HD ARG 35 -1.236 14.556 14.330 266 HE ARG 35 HE ARG 35 1.109 14.529 15.478 267 HH11 ARG 35 1HH1 ARG 35 -0.264 16.976 13.315 268 HH12 ARG 35 2HH1 ARG 35 0.618 18.265 13.991 269 HH21 ARG 35 1HH2 ARG 35 2.279 16.346 16.435 270 HH22 ARG 35 2HH2 ARG 35 2.072 17.906 15.777 271 H VAL 36 H VAL 36 -0.592 10.590 9.886 272 HA VAL 36 HA VAL 36 -3.355 9.704 9.914 273 HB VAL 36 HB VAL 36 -3.092 11.668 8.549 274 HG11 VAL 36 1HG1 VAL 36 -1.604 11.778 6.616 275 HG12 VAL 36 2HG1 VAL 36 -0.943 10.201 7.052 276 HG13 VAL 36 3HG1 VAL 36 -0.725 11.574 8.133 277 HG21 VAL 36 3HG2 VAL 36 -3.844 10.869 6.349 278 HG22 VAL 36 1HG2 VAL 36 -4.637 10.017 7.676 279 HG23 VAL 36 2HG2 VAL 36 -3.331 9.237 6.782 280 HA PRO 37 HA PRO 37 -1.485 5.765 8.871 281 HB2 PRO 37 2HB PRO 37 -3.439 4.221 9.883 282 HB3 PRO 37 1HB PRO 37 -2.256 5.016 10.925 283 HG2 PRO 37 2HG PRO 37 -5.101 5.706 10.433 284 HG3 PRO 37 1HG PRO 37 -4.118 5.946 11.885 285 HD2 PRO 37 2HD PRO 37 -4.747 7.891 9.933 286 HD3 PRO 37 1HD PRO 37 -3.549 8.041 11.234 287 H ALA 38 H ALA 38 -1.645 4.798 6.967 288 HA ALA 38 HA ALA 38 -4.030 4.000 5.710 289 HB1 ALA 38 1HB ALA 38 -2.664 6.420 4.502 290 HB2 ALA 38 2HB ALA 38 -4.272 6.401 5.221 291 HB3 ALA 38 3HB ALA 38 -3.956 5.489 3.745 292 H VAL 39 H VAL 39 -3.524 2.795 3.783 293 HA VAL 39 HA VAL 39 -0.668 2.256 3.604 294 HB VAL 39 HB VAL 39 -2.063 0.258 4.036 295 HG11 VAL 39 1HG1 VAL 39 -4.146 0.928 3.027 296 HG12 VAL 39 2HG1 VAL 39 -3.581 -0.612 2.362 297 HG13 VAL 39 3HG1 VAL 39 -3.398 0.864 1.419 298 HG21 VAL 39 3HG2 VAL 39 -1.266 -1.175 2.222 299 HG22 VAL 39 1HG2 VAL 39 -0.024 -0.037 2.747 300 HG23 VAL 39 2HG2 VAL 39 -0.910 0.258 1.253 301 H VAL 40 H VAL 40 0.452 2.805 1.775 302 HA VAL 40 HA VAL 40 -1.195 4.033 -0.236 303 HB VAL 40 HB VAL 40 0.715 5.132 -1.056 304 HG11 VAL 40 1HG1 VAL 40 1.384 6.514 0.868 305 HG12 VAL 40 2HG1 VAL 40 0.605 5.333 1.922 306 HG13 VAL 40 3HG1 VAL 40 -0.351 6.232 0.739 307 HG21 VAL 40 3HG2 VAL 40 2.296 3.634 0.964 308 HG22 VAL 40 1HG2 VAL 40 2.960 4.966 -0.007 309 HG23 VAL 40 2HG2 VAL 40 2.391 3.492 -0.808 310 H PHE 41 H PHE 41 -1.419 3.202 -2.069 311 HA PHE 41 HA PHE 41 0.036 0.772 -2.635 312 HB2 PHE 41 2HB PHE 41 -2.488 1.929 -3.690 313 HB3 PHE 41 1HB PHE 41 -1.722 0.616 -4.549 314 HD1 PHE 41 2HD PHE 41 -0.805 -1.103 -2.304 315 HD2 PHE 41 1HD PHE 41 -4.439 1.075 -2.750 316 HE1 PHE 41 2HE PHE 41 -1.912 -2.683 -0.843 317 HE2 PHE 41 1HE PHE 41 -5.553 -0.526 -1.267 318 HZ PHE 41 HZ PHE 41 -4.270 -2.431 -0.325 319 H THR 42 H THR 42 1.787 0.889 -3.769 320 HA THR 42 HA THR 42 2.225 3.083 -5.597 321 HB THR 42 HB THR 42 3.936 0.739 -4.751 322 HG1 THR 42 1HG THR 42 3.421 2.946 -3.602 323 HG21 THR 42 3HG2 THR 42 5.811 1.847 -5.976 324 HG22 THR 42 1HG2 THR 42 4.654 2.990 -6.675 325 HG23 THR 42 2HG2 THR 42 4.537 1.260 -7.039 326 H THR 43 H THR 43 1.176 2.914 -7.437 327 HA THR 43 HA THR 43 0.424 0.437 -8.603 328 HB THR 43 HB THR 43 -0.328 1.880 -10.506 329 HG1 THR 43 1HG THR 43 -0.238 4.230 -9.545 330 HG21 THR 43 3HG2 THR 43 -1.143 2.808 -7.743 331 HG22 THR 43 1HG2 THR 43 -1.816 1.419 -8.590 332 HG23 THR 43 2HG2 THR 43 -2.080 3.046 -9.221 333 H LEU 44 H LEU 44 0.952 0.055 -11.060 334 HA LEU 44 HA LEU 44 3.684 -0.371 -11.367 335 HB2 LEU 44 2HB LEU 44 1.453 -0.233 -13.377 336 HB3 LEU 44 1HB LEU 44 3.045 -0.877 -13.679 337 HG LEU 44 HG LEU 44 1.035 -2.020 -11.735 338 HD11 LEU 44 1HD1 LEU 44 0.355 -2.342 -14.032 339 HD12 LEU 44 2HD1 LEU 44 0.875 -3.872 -13.321 340 HD13 LEU 44 3HD1 LEU 44 1.937 -3.006 -14.430 341 HD21 LEU 44 3HD2 LEU 44 3.326 -2.429 -11.000 342 HD22 LEU 44 1HD2 LEU 44 3.738 -3.057 -12.598 343 HD23 LEU 44 2HD2 LEU 44 2.588 -3.920 -11.578 344 H ARG 45 H ARG 45 1.600 2.252 -12.180 345 HA ARG 45 HA ARG 45 3.296 3.742 -13.867 346 HB2 ARG 45 2HB ARG 45 0.910 4.229 -13.635 347 HB3 ARG 45 1HB ARG 45 1.148 4.683 -11.956 348 HG2 ARG 45 2HG ARG 45 0.891 6.631 -13.382 349 HG3 ARG 45 1HG ARG 45 2.500 6.591 -12.659 350 HD2 ARG 45 2HD ARG 45 3.407 5.689 -14.747 351 HD3 ARG 45 1HD ARG 45 1.794 5.711 -15.461 352 HE ARG 45 HE ARG 45 2.364 8.256 -14.540 353 HH11 ARG 45 1HH1 ARG 45 3.532 6.044 -17.017 354 HH12 ARG 45 2HH1 ARG 45 4.036 7.245 -18.106 355 HH21 ARG 45 1HH2 ARG 45 3.078 9.953 -16.013 356 HH22 ARG 45 2HH2 ARG 45 3.784 9.531 -17.504 357 H GLY 46 H GLY 46 3.138 3.408 -10.365 358 HA2 GLY 46 2HA GLY 46 5.222 3.738 -9.149 359 HA3 GLY 46 1HA GLY 46 5.528 5.128 -10.184 360 H ARG 47 H ARG 47 2.391 5.272 -9.634 361 HA ARG 47 HA ARG 47 2.656 7.413 -7.758 362 HB2 ARG 47 2HB ARG 47 0.303 6.178 -9.141 363 HB3 ARG 47 1HB ARG 47 0.113 7.455 -7.954 364 HG2 ARG 47 2HG ARG 47 1.799 7.669 -10.424 365 HG3 ARG 47 1HG ARG 47 0.122 8.240 -10.334 366 HD2 ARG 47 2HD ARG 47 0.754 9.766 -8.541 367 HD3 ARG 47 1HD ARG 47 2.418 9.192 -8.600 368 HE ARG 47 HE ARG 47 1.990 10.001 -11.093 369 HH11 ARG 47 1HH1 ARG 47 1.330 11.595 -8.004 370 HH12 ARG 47 2HH1 ARG 47 1.644 13.160 -8.554 371 HH21 ARG 47 1HH2 ARG 47 2.471 12.174 -11.875 372 HH22 ARG 47 2HH2 ARG 47 2.339 13.502 -10.828 373 H GLN 48 H GLN 48 2.146 7.516 -5.725 374 HA GLN 48 HA GLN 48 1.363 5.037 -4.344 375 HB2 GLN 48 2HB GLN 48 2.613 7.562 -3.221 376 HB3 GLN 48 1HB GLN 48 2.200 6.139 -2.286 377 HG2 GLN 48 2HG GLN 48 3.828 4.841 -3.620 378 HG3 GLN 48 1HG GLN 48 4.278 6.331 -4.446 379 HE21 GLN 48 1HE2 GLN 48 5.471 7.894 -3.324 380 HE22 GLN 48 2HE2 GLN 48 6.227 7.562 -1.825 381 H LEU 49 H LEU 49 -0.730 4.963 -3.933 382 HA LEU 49 HA LEU 49 -2.119 7.533 -3.520 383 HB2 LEU 49 2HB LEU 49 -2.702 6.214 -5.594 384 HB3 LEU 49 1HB LEU 49 -3.346 4.973 -4.537 385 HG LEU 49 HG LEU 49 -4.954 6.659 -3.629 386 HD11 LEU 49 1HD1 LEU 49 -3.886 8.372 -5.864 387 HD12 LEU 49 2HD1 LEU 49 -3.725 8.688 -4.133 388 HD13 LEU 49 3HD1 LEU 49 -5.312 8.719 -4.896 389 HD21 LEU 49 3HD2 LEU 49 -5.050 6.178 -6.604 390 HD22 LEU 49 1HD2 LEU 49 -6.409 6.697 -5.603 391 HD23 LEU 49 2HD2 LEU 49 -5.674 5.126 -5.328 392 H CYS 50 H CYS 50 -3.666 7.666 -1.804 393 HA CYS 50 HA CYS 50 -3.036 6.001 0.433 394 HB2 CYS 50 2HB CYS 50 -5.325 7.940 0.216 395 HB3 CYS 50 1HB CYS 50 -4.396 7.478 1.631 396 H ALA 51 H ALA 51 -4.230 4.177 1.083 397 HA ALA 51 HA ALA 51 -7.014 4.063 0.249 398 HB1 ALA 51 1HB ALA 51 -6.817 1.696 -0.309 399 HB2 ALA 51 2HB ALA 51 -5.071 1.729 0.016 400 HB3 ALA 51 3HB ALA 51 -5.794 2.685 -1.302 401 HA PRO 52 HA PRO 52 -7.820 3.174 4.449 402 HB2 PRO 52 2HB PRO 52 -9.946 1.543 4.400 403 HB3 PRO 52 1HB PRO 52 -10.057 3.204 3.794 404 HG2 PRO 52 2HG PRO 52 -9.538 0.682 2.265 405 HG3 PRO 52 1HG PRO 52 -10.799 1.860 1.921 406 HD2 PRO 52 2HD PRO 52 -8.520 1.865 0.609 407 HD3 PRO 52 1HD PRO 52 -9.220 3.418 1.093 408 HA PRO 53 HA PRO 53 -5.299 -0.553 4.897 409 HB2 PRO 53 2HB PRO 53 -4.461 -0.092 7.420 410 HB3 PRO 53 1HB PRO 53 -3.797 0.754 6.020 411 HG2 PRO 53 2HG PRO 53 -5.866 1.669 7.971 412 HG3 PRO 53 1HG PRO 53 -4.496 2.572 7.297 413 HD2 PRO 53 2HD PRO 53 -7.035 2.835 6.387 414 HD3 PRO 53 1HD PRO 53 -5.635 3.036 5.325 415 H ASP 54 H ASP 54 -8.128 0.216 6.672 416 HA ASP 54 HA ASP 54 -8.047 -2.440 7.913 417 HB2 ASP 54 2HB ASP 54 -9.472 0.044 8.862 418 HB3 ASP 54 1HB ASP 54 -9.756 -1.552 9.536 419 H GLN 55 H GLN 55 -9.207 -1.238 5.244 420 HA GLN 55 HA GLN 55 -11.893 -2.306 5.514 421 HB2 GLN 55 2HB GLN 55 -10.524 -0.843 3.278 422 HB3 GLN 55 1HB GLN 55 -12.073 -1.636 3.045 423 HG2 GLN 55 2HG GLN 55 -11.570 0.460 5.141 424 HG3 GLN 55 1HG GLN 55 -12.205 0.812 3.535 425 HE21 GLN 55 1HE2 GLN 55 -12.882 -0.616 6.655 426 HE22 GLN 55 2HE2 GLN 55 -14.573 -0.752 6.407 427 HA PRO 56 HA PRO 56 -11.105 -6.443 4.415 428 HB2 PRO 56 2HB PRO 56 -13.455 -6.139 2.609 429 HB3 PRO 56 1HB PRO 56 -13.117 -7.387 3.816 430 HG2 PRO 56 2HG PRO 56 -14.833 -5.477 4.358 431 HG3 PRO 56 1HG PRO 56 -13.667 -6.007 5.587 432 HD2 PRO 56 2HD PRO 56 -13.665 -3.529 3.924 433 HD3 PRO 56 1HD PRO 56 -13.173 -3.776 5.613 434 H TRP 57 H TRP 57 -11.992 -4.428 1.590 435 HA TRP 57 HA TRP 57 -10.906 -6.233 -0.269 436 HB2 TRP 57 2HB TRP 57 -11.150 -4.537 -1.963 437 HB3 TRP 57 1HB TRP 57 -12.520 -4.410 -0.873 438 HD1 TRP 57 HD1 TRP 57 -12.538 -2.114 0.763 439 HE1 TRP 57 1HE TRP 57 -11.490 0.146 0.352 440 HE3 TRP 57 3HE TRP 57 -9.245 -3.397 -2.940 441 HZ2 TRP 57 2HZ TRP 57 -9.479 1.295 -1.333 442 HZ3 TRP 57 3HZ TRP 57 -7.806 -1.634 -3.873 443 HH2 TRP 57 HH2 TRP 57 -7.932 0.641 -3.084 444 H VAL 58 H VAL 58 -9.503 -3.571 1.490 445 HA VAL 58 HA VAL 58 -6.997 -3.622 0.154 446 HB VAL 58 HB VAL 58 -7.851 -2.368 2.780 447 HG11 VAL 58 1HG1 VAL 58 -5.227 -2.054 1.324 448 HG12 VAL 58 2HG1 VAL 58 -5.458 -2.897 2.857 449 HG13 VAL 58 3HG1 VAL 58 -5.737 -1.159 2.752 450 HG21 VAL 58 3HG2 VAL 58 -7.210 -1.186 0.083 451 HG22 VAL 58 1HG2 VAL 58 -7.642 -0.276 1.526 452 HG23 VAL 58 2HG2 VAL 58 -8.811 -1.363 0.788 453 H GLU 59 H GLU 59 -8.238 -4.953 3.157 454 HA GLU 59 HA GLU 59 -5.915 -5.998 4.247 455 HB2 GLU 59 2HB GLU 59 -8.663 -7.246 4.280 456 HB3 GLU 59 1HB GLU 59 -7.348 -7.671 5.361 457 HG2 GLU 59 2HG GLU 59 -7.395 -5.385 6.277 458 HG3 GLU 59 1HG GLU 59 -8.741 -5.006 5.202 459 H ARG 60 H ARG 60 -7.999 -7.365 1.782 460 HA ARG 60 HA ARG 60 -6.584 -9.842 1.689 461 HB2 ARG 60 2HB ARG 60 -8.525 -8.720 -0.323 462 HB3 ARG 60 1HB ARG 60 -7.929 -10.375 -0.280 463 HG2 ARG 60 2HG ARG 60 -9.693 -9.013 1.747 464 HG3 ARG 60 1HG ARG 60 -10.106 -10.349 0.672 465 HD2 ARG 60 2HD ARG 60 -8.129 -10.425 2.955 466 HD3 ARG 60 1HD ARG 60 -9.715 -11.184 2.915 467 HE ARG 60 HE ARG 60 -8.601 -12.336 0.834 468 HH11 ARG 60 1HH1 ARG 60 -7.196 -11.749 4.056 469 HH12 ARG 60 2HH1 ARG 60 -6.220 -13.132 4.030 470 HH21 ARG 60 1HH2 ARG 60 -7.221 -14.228 0.806 471 HH22 ARG 60 2HH2 ARG 60 -6.214 -14.560 2.146 472 H ILE 61 H ILE 61 -6.461 -6.936 -0.307 473 HA ILE 61 HA ILE 61 -4.618 -8.127 -2.108 474 HB ILE 61 HB ILE 61 -4.212 -5.740 -2.908 475 HG12 ILE 61 2HG1 ILE 61 -6.503 -5.263 -1.015 476 HG13 ILE 61 1HG1 ILE 61 -4.884 -4.608 -0.862 477 HG21 ILE 61 1HG2 ILE 61 -6.444 -5.704 -4.070 478 HG22 ILE 61 2HG2 ILE 61 -6.976 -6.983 -2.990 479 HG23 ILE 61 3HG2 ILE 61 -5.645 -7.264 -4.107 480 HD11 ILE 61 3HD1 ILE 61 -6.863 -3.985 -3.029 481 HD12 ILE 61 1HD1 ILE 61 -5.235 -3.319 -2.887 482 HD13 ILE 61 2HD1 ILE 61 -6.442 -2.953 -1.663 483 H ILE 62 H ILE 62 -4.213 -6.184 0.748 484 HA ILE 62 HA ILE 62 -1.440 -5.827 0.649 485 HB ILE 62 HB ILE 62 -3.209 -6.395 3.052 486 HG12 ILE 62 2HG1 ILE 62 -2.073 -3.815 1.962 487 HG13 ILE 62 1HG1 ILE 62 -3.749 -4.327 1.912 488 HG21 ILE 62 1HG2 ILE 62 -1.402 -5.545 4.476 489 HG22 ILE 62 2HG2 ILE 62 -0.346 -5.456 3.067 490 HG23 ILE 62 3HG2 ILE 62 -0.936 -7.019 3.627 491 HD11 ILE 62 3HD1 ILE 62 -3.876 -4.220 4.344 492 HD12 ILE 62 1HD1 ILE 62 -3.379 -2.670 3.662 493 HD13 ILE 62 2HD1 ILE 62 -2.187 -3.728 4.418 494 H GLN 63 H GLN 63 -3.304 -8.553 1.943 495 HA GLN 63 HA GLN 63 -1.113 -10.193 2.569 496 HB2 GLN 63 2HB GLN 63 -3.923 -10.963 1.801 497 HB3 GLN 63 1HB GLN 63 -2.735 -12.062 2.478 498 HG2 GLN 63 2HG GLN 63 -3.911 -9.642 3.822 499 HG3 GLN 63 1HG GLN 63 -4.292 -11.332 4.145 500 HE21 GLN 63 1HE2 GLN 63 -1.966 -8.803 4.558 501 HE22 GLN 63 2HE2 GLN 63 -0.969 -9.604 5.706 502 H ARG 64 H ARG 64 -3.040 -9.865 -0.319 503 HA ARG 64 HA ARG 64 -1.991 -11.894 -1.901 504 HB2 ARG 64 2HB ARG 64 -3.963 -10.415 -2.461 505 HB3 ARG 64 1HB ARG 64 -2.840 -9.123 -2.806 506 HG2 ARG 64 2HG ARG 64 -2.889 -11.721 -4.319 507 HG3 ARG 64 1HG ARG 64 -3.844 -10.325 -4.792 508 HD2 ARG 64 2HD ARG 64 -1.763 -9.026 -5.081 509 HD3 ARG 64 1HD ARG 64 -0.823 -10.445 -4.610 510 HE ARG 64 HE ARG 64 -2.307 -11.362 -6.639 511 HH11 ARG 64 1HH1 ARG 64 -0.160 -8.554 -6.378 512 HH12 ARG 64 2HH1 ARG 64 0.261 -8.546 -8.024 513 HH21 ARG 64 1HH2 ARG 64 -1.706 -11.362 -8.907 514 HH22 ARG 64 2HH2 ARG 64 -0.617 -10.195 -9.488 515 H LEU 65 H LEU 65 -0.804 -8.501 -1.617 516 HA LEU 65 HA LEU 65 1.478 -9.029 -3.196 517 HB2 LEU 65 2HB LEU 65 0.840 -6.777 -1.317 518 HB3 LEU 65 1HB LEU 65 2.311 -6.844 -2.260 519 HG LEU 65 HG LEU 65 -0.504 -6.676 -3.351 520 HD11 LEU 65 1HD1 LEU 65 0.176 -4.607 -2.393 521 HD12 LEU 65 2HD1 LEU 65 0.290 -4.464 -4.145 522 HD13 LEU 65 3HD1 LEU 65 1.753 -4.701 -3.205 523 HD21 LEU 65 3HD2 LEU 65 2.151 -6.713 -4.796 524 HD22 LEU 65 1HD2 LEU 65 0.586 -6.393 -5.538 525 HD23 LEU 65 2HD2 LEU 65 0.926 -7.978 -4.848 526 H GLN 66 H GLN 66 0.871 -9.320 0.246 527 HA GLN 66 HA GLN 66 3.641 -9.604 0.785 528 HB2 GLN 66 2HB GLN 66 1.289 -10.428 2.489 529 HB3 GLN 66 1HB GLN 66 2.966 -10.507 3.016 530 HG2 GLN 66 2HG GLN 66 3.124 -8.045 2.574 531 HG3 GLN 66 1HG GLN 66 1.394 -8.061 2.282 532 HE21 GLN 66 1HE2 GLN 66 3.879 -8.368 4.627 533 HE22 GLN 66 2HE2 GLN 66 2.907 -8.210 6.038 534 H ARG 67 H ARG 67 1.202 -11.785 -0.257 535 HA ARG 67 HA ARG 67 2.727 -14.154 0.181 536 HB2 ARG 67 2HB ARG 67 0.399 -13.627 -1.684 537 HB3 ARG 67 1HB ARG 67 1.124 -15.209 -1.456 538 HG2 ARG 67 2HG ARG 67 -0.214 -13.575 0.704 539 HG3 ARG 67 1HG ARG 67 -0.944 -14.930 -0.160 540 HD2 ARG 67 2HD ARG 67 1.529 -15.071 1.582 541 HD3 ARG 67 1HD ARG 67 -0.082 -15.621 2.032 542 HE ARG 67 HE ARG 67 0.313 -17.017 -0.185 543 HH11 ARG 67 1HH1 ARG 67 2.455 -16.567 2.600 544 HH12 ARG 67 2HH1 ARG 67 3.226 -18.074 2.418 545 HH21 ARG 67 1HH2 ARG 67 1.327 -19.041 -0.415 546 HH22 ARG 67 2HH2 ARG 67 2.573 -19.542 0.666 547 H THR 68 H THR 68 2.632 -11.767 -2.402 548 HA THR 68 HA THR 68 4.315 -13.396 -4.065 549 HB THR 68 HB THR 68 4.477 -11.357 -5.487 550 HG1 THR 68 1HG THR 68 4.045 -9.616 -4.271 551 HG21 THR 68 3HG2 THR 68 1.688 -12.271 -4.789 552 HG22 THR 68 1HG2 THR 68 2.786 -13.038 -5.933 553 HG23 THR 68 2HG2 THR 68 2.136 -11.434 -6.277 554 H SER 69 H SER 69 4.702 -11.242 -1.527 555 HA SER 69 HA SER 69 7.449 -10.633 -2.030 556 HB2 SER 69 2HB SER 69 5.659 -10.171 0.336 557 HB3 SER 69 1HB SER 69 7.302 -9.554 0.146 558 HG SER 69 HG SER 69 4.933 -8.827 -1.164 559 H ALA 70 H ALA 70 5.719 -13.211 -0.791 560 HA ALA 70 HA ALA 70 7.238 -14.148 1.366 561 HB1 ALA 70 1HB ALA 70 6.280 -16.347 0.902 562 HB2 ALA 70 2HB ALA 70 5.759 -15.791 -0.685 563 HB3 ALA 70 3HB ALA 70 5.052 -15.086 0.769 564 H LYS 71 H LYS 71 7.796 -14.349 -2.042 565 HA LYS 71 HA LYS 71 10.244 -15.897 -1.638 566 HB2 LYS 71 2HB LYS 71 10.354 -15.931 -4.129 567 HB3 LYS 71 1HB LYS 71 8.888 -16.658 -3.491 568 HG2 LYS 71 2HG LYS 71 7.593 -14.727 -4.108 569 HG3 LYS 71 1HG LYS 71 9.055 -13.843 -4.552 570 HD2 LYS 71 2HD LYS 71 7.857 -14.703 -6.517 571 HD3 LYS 71 1HD LYS 71 9.474 -15.385 -6.370 572 HE2 LYS 71 2HE LYS 71 8.475 -17.414 -5.349 573 HE3 LYS 71 1HE LYS 71 6.871 -16.714 -5.609 574 HZ1 LYS 71 3HZ LYS 71 7.320 -16.724 -7.991 575 HZ2 LYS 71 1HZ LYS 71 7.474 -18.267 -7.327 576 HZ3 LYS 71 2HZ LYS 71 8.851 -17.393 -7.702 577 H MET 72 H MET 72 12.287 -14.998 -2.150 578 HA MET 72 HA MET 72 13.875 -13.399 -2.274 579 HB2 MET 72 2HB MET 72 12.948 -13.036 -4.505 580 HB3 MET 72 1HB MET 72 11.675 -12.040 -3.827 581 HG2 MET 72 2HG MET 72 13.386 -10.711 -5.006 582 HG3 MET 72 1HG MET 72 13.314 -10.307 -3.295 583 HE1 MET 72 3HE MET 72 17.072 -9.789 -4.175 584 HE2 MET 72 1HE MET 72 15.630 -9.075 -3.460 585 HE3 MET 72 2HE MET 72 15.664 -9.449 -5.180 586 H LYS 73 H LYS 73 11.992 -13.541 -0.097 587 HA LYS 73 HA LYS 73 11.360 -10.885 0.738 588 HB2 LYS 73 2HB LYS 73 9.969 -12.858 1.336 589 HB3 LYS 73 1HB LYS 73 11.284 -13.439 2.350 590 HG2 LYS 73 2HG LYS 73 11.101 -11.481 3.749 591 HG3 LYS 73 1HG LYS 73 9.816 -10.836 2.724 592 HD2 LYS 73 2HD LYS 73 8.443 -12.826 3.286 593 HD3 LYS 73 1HD LYS 73 9.726 -13.373 4.365 594 HE2 LYS 73 2HE LYS 73 9.494 -11.293 5.661 595 HE3 LYS 73 1HE LYS 73 8.191 -10.785 4.595 596 HZ1 LYS 73 3HZ LYS 73 7.280 -11.703 6.561 597 HZ2 LYS 73 1HZ LYS 73 8.167 -13.136 6.412 598 HZ3 LYS 73 2HZ LYS 73 6.926 -12.745 5.321 599 H ARG 74 H ARG 74 12.854 -9.569 1.340 600 HA ARG 74 HA ARG 74 14.863 -10.411 3.305 601 HB2 ARG 74 2HB ARG 74 15.295 -8.456 1.017 602 HB3 ARG 74 1HB ARG 74 16.454 -8.784 2.293 603 HG2 ARG 74 2HG ARG 74 16.613 -11.116 1.515 604 HG3 ARG 74 1HG ARG 74 15.505 -10.733 0.195 605 HD2 ARG 74 2HD ARG 74 17.840 -10.677 -0.556 606 HD3 ARG 74 1HD ARG 74 17.101 -9.082 -0.664 607 HE ARG 74 HE ARG 74 18.316 -9.275 1.822 608 HH11 ARG 74 1HH1 ARG 74 19.420 -9.270 -1.555 609 HH12 ARG 74 2HH1 ARG 74 20.886 -8.502 -1.197 610 HH21 ARG 74 1HH2 ARG 74 20.304 -8.253 2.290 611 HH22 ARG 74 2HH2 ARG 74 21.416 -7.893 1.039 612 H ARG 75 H ARG 75 13.286 -7.658 1.733 613 HA ARG 75 HA ARG 75 12.258 -6.769 4.235 614 HB2 ARG 75 2HB ARG 75 14.385 -5.585 4.325 615 HB3 ARG 75 1HB ARG 75 14.156 -4.985 2.691 616 HG2 ARG 75 2HG ARG 75 12.200 -3.701 3.412 617 HG3 ARG 75 1HG ARG 75 12.402 -4.306 5.050 618 HD2 ARG 75 2HD ARG 75 14.543 -3.195 5.214 619 HD3 ARG 75 1HD ARG 75 14.408 -2.635 3.543 620 HE ARG 75 HE ARG 75 12.234 -1.562 4.500 621 HH11 ARG 75 1HH1 ARG 75 15.413 -1.717 6.117 622 HH12 ARG 75 2HH1 ARG 75 15.174 -0.295 7.004 623 HH21 ARG 75 1HH2 ARG 75 11.932 0.402 5.747 624 HH22 ARG 75 2HH2 ARG 75 13.160 0.946 6.776 625 H SER 76 H SER 76 10.239 -6.852 3.546 626 HA SER 76 HA SER 76 9.608 -5.256 1.189 627 HB2 SER 76 2HB SER 76 8.763 -7.632 1.156 628 HB3 SER 76 1HB SER 76 7.860 -7.297 2.626 629 HG SER 76 HG SER 76 6.828 -7.127 0.402 630 H SER 77 H SER 77 10.033 -3.409 2.410 631 HA SER 77 HA SER 77 7.836 -2.318 3.852 632 HB2 SER 77 2HB SER 77 10.465 -2.726 5.336 633 HB3 SER 77 1HB SER 77 9.074 -1.826 5.937 634 HG SER 77 HG SER 77 8.376 -4.305 5.157 Start of MODEL 19 1 H1 GLY 1 1HT GLY 1 -3.778 23.216 -3.313 2 H2 GLY 1 2HT GLY 1 -3.682 22.182 -4.620 3 H3 GLY 1 3HT GLY 1 -4.696 23.552 -4.702 4 HA2 GLY 1 1HA GLY 1 -2.669 23.913 -5.944 5 HA3 GLY 1 2HA GLY 1 -2.728 24.955 -4.521 6 H THR 2 H THR 2 -1.079 24.824 -3.073 7 HA THR 2 HA THR 2 1.010 22.948 -3.651 8 HB THR 2 HB THR 2 2.194 24.104 -1.752 9 HG1 THR 2 1HG THR 2 0.086 24.726 -0.813 10 HG21 THR 2 3HG2 THR 2 2.521 26.231 -2.933 11 HG22 THR 2 1HG2 THR 2 1.076 25.919 -3.898 12 HG23 THR 2 2HG2 THR 2 2.486 24.872 -4.056 13 H ASN 3 H ASN 3 0.171 20.981 -3.145 14 HA ASN 3 HA ASN 3 -0.468 20.540 -0.311 15 HB2 ASN 3 2HB ASN 3 -1.466 18.977 -2.717 16 HB3 ASN 3 1HB ASN 3 -1.834 18.596 -1.043 17 HD21 ASN 3 1HD2 ASN 3 -3.295 19.920 0.087 18 HD22 ASN 3 2HD2 ASN 3 -4.326 21.042 -0.734 19 H ASP 4 H ASP 4 1.193 19.647 0.639 20 HA ASP 4 HA ASP 4 3.299 18.434 -0.861 21 HB2 ASP 4 2HB ASP 4 2.920 18.601 2.135 22 HB3 ASP 4 1HB ASP 4 4.375 18.008 1.338 23 H ALA 5 H ALA 5 4.141 16.314 -0.635 24 HA ALA 5 HA ALA 5 1.979 14.438 -0.635 25 HB1 ALA 5 1HB ALA 5 4.889 13.923 -1.246 26 HB2 ALA 5 2HB ALA 5 3.659 14.357 -2.431 27 HB3 ALA 5 3HB ALA 5 3.550 12.825 -1.565 28 H GLU 6 H GLU 6 4.171 15.494 1.519 29 HA GLU 6 HA GLU 6 4.887 14.984 3.558 30 HB2 GLU 6 2HB GLU 6 2.250 13.542 3.725 31 HB3 GLU 6 1HB GLU 6 3.340 14.122 4.992 32 HG2 GLU 6 2HG GLU 6 3.004 16.395 4.389 33 HG3 GLU 6 1HG GLU 6 2.010 15.921 3.013 34 H ASP 7 H ASP 7 4.813 12.956 5.355 35 HA ASP 7 HA ASP 7 6.339 10.912 4.008 36 HB2 ASP 7 2HB ASP 7 5.917 11.489 6.931 37 HB3 ASP 7 1HB ASP 7 6.873 10.161 6.303 38 H CYS 8 H CYS 8 3.421 11.312 5.676 39 HA CYS 8 HA CYS 8 2.873 8.573 4.923 40 HB2 CYS 8 2HB CYS 8 0.934 8.651 6.600 41 HB3 CYS 8 1HB CYS 8 2.561 8.575 7.251 42 H CYS 9 H CYS 9 0.335 8.243 4.517 43 HA CYS 9 HA CYS 9 0.198 9.826 2.115 44 HB2 CYS 9 2HB CYS 9 -0.337 7.194 2.585 45 HB3 CYS 9 1HB CYS 9 -1.934 7.958 2.684 46 H LEU 10 H LEU 10 -1.102 11.393 1.754 47 HA LEU 10 HA LEU 10 -2.256 13.009 3.560 48 HB2 LEU 10 2HB LEU 10 -3.061 12.641 0.720 49 HB3 LEU 10 1HB LEU 10 -3.640 13.934 1.742 50 HG LEU 10 HG LEU 10 -1.178 14.545 2.036 51 HD11 LEU 10 1HD1 LEU 10 -0.097 12.598 1.172 52 HD12 LEU 10 2HD1 LEU 10 0.269 13.995 0.171 53 HD13 LEU 10 3HD1 LEU 10 -0.901 12.793 -0.390 54 HD21 LEU 10 3HD2 LEU 10 -1.238 15.878 0.015 55 HD22 LEU 10 1HD2 LEU 10 -2.753 15.791 0.925 56 HD23 LEU 10 2HD2 LEU 10 -2.577 14.854 -0.576 57 H SER 11 H SER 11 -4.223 10.803 1.476 58 HA SER 11 HA SER 11 -6.117 10.316 3.482 59 HB2 SER 11 2HB SER 11 -7.981 11.764 2.574 60 HB3 SER 11 1HB SER 11 -6.696 12.665 3.382 61 HG SER 11 HG SER 11 -5.909 12.584 0.945 62 H VAL 12 H VAL 12 -7.631 8.855 2.755 63 HA VAL 12 HA VAL 12 -7.078 7.945 0.032 64 HB VAL 12 HB VAL 12 -7.560 5.834 0.639 65 HG11 VAL 12 1HG1 VAL 12 -5.707 6.391 1.969 66 HG12 VAL 12 2HG1 VAL 12 -6.720 5.283 2.892 67 HG13 VAL 12 3HG1 VAL 12 -6.732 7.009 3.265 68 HG21 VAL 12 3HG2 VAL 12 -9.409 6.709 2.890 69 HG22 VAL 12 1HG2 VAL 12 -9.032 5.040 2.391 70 HG23 VAL 12 2HG2 VAL 12 -9.845 6.108 1.269 71 H THR 13 H THR 13 -8.831 7.480 -1.337 72 HA THR 13 HA THR 13 -11.163 9.075 -0.666 73 HB THR 13 HB THR 13 -10.245 9.405 -2.943 74 HG1 THR 13 1HG THR 13 -12.159 9.769 -3.547 75 HG21 THR 13 3HG2 THR 13 -9.347 7.172 -3.334 76 HG22 THR 13 1HG2 THR 13 -10.419 7.651 -4.652 77 HG23 THR 13 2HG2 THR 13 -10.982 6.519 -3.417 78 H GLN 14 H GLN 14 -13.341 7.860 -1.564 79 HA GLN 14 HA GLN 14 -13.834 6.071 0.504 80 HB2 GLN 14 2HB GLN 14 -15.467 6.343 -2.025 81 HB3 GLN 14 1HB GLN 14 -16.008 5.623 -0.515 82 HG2 GLN 14 2HG GLN 14 -15.286 8.506 -0.988 83 HG3 GLN 14 1HG GLN 14 -16.885 7.848 -0.654 84 HE21 GLN 14 1HE2 GLN 14 -17.377 7.204 1.476 85 HE22 GLN 14 2HE2 GLN 14 -16.402 7.709 2.810 86 H LYS 15 H LYS 15 -13.110 5.323 -2.868 87 HA LYS 15 HA LYS 15 -11.825 3.005 -1.909 88 HB2 LYS 15 2HB LYS 15 -14.105 2.136 -2.336 89 HB3 LYS 15 1HB LYS 15 -13.973 2.685 -4.005 90 HG2 LYS 15 2HG LYS 15 -12.152 1.192 -4.411 91 HG3 LYS 15 1HG LYS 15 -12.139 0.698 -2.719 92 HD2 LYS 15 2HD LYS 15 -13.266 -0.982 -4.122 93 HD3 LYS 15 1HD LYS 15 -14.380 -0.254 -2.967 94 HE2 LYS 15 2HE LYS 15 -15.230 1.226 -4.733 95 HE3 LYS 15 1HE LYS 15 -14.097 0.493 -5.873 96 HZ1 LYS 15 3HZ LYS 15 -16.304 -0.918 -4.476 97 HZ2 LYS 15 1HZ LYS 15 -15.221 -1.607 -5.572 98 HZ3 LYS 15 2HZ LYS 15 -16.299 -0.436 -6.091 99 HA PRO 16 HA PRO 16 -9.347 5.442 -4.777 100 HB2 PRO 16 2HB PRO 16 -7.015 3.985 -4.200 101 HB3 PRO 16 1HB PRO 16 -7.602 5.426 -3.383 102 HG2 PRO 16 2HG PRO 16 -8.001 2.553 -2.535 103 HG3 PRO 16 1HG PRO 16 -7.630 3.977 -1.610 104 HD2 PRO 16 2HD PRO 16 -9.976 2.979 -1.630 105 HD3 PRO 16 1HD PRO 16 -9.683 4.720 -1.617 106 H ILE 17 H ILE 17 -7.940 2.152 -4.954 107 HA ILE 17 HA ILE 17 -8.633 2.125 -7.792 108 HB ILE 17 HB ILE 17 -6.378 1.601 -8.516 109 HG12 ILE 17 2HG1 ILE 17 -5.468 0.552 -6.444 110 HG13 ILE 17 1HG1 ILE 17 -4.371 1.733 -7.132 111 HG21 ILE 17 1HG2 ILE 17 -6.416 4.165 -6.981 112 HG22 ILE 17 2HG2 ILE 17 -6.978 3.902 -8.629 113 HG23 ILE 17 3HG2 ILE 17 -5.263 3.750 -8.246 114 HD11 ILE 17 3HD1 ILE 17 -6.125 2.091 -4.704 115 HD12 ILE 17 1HD1 ILE 17 -5.100 3.341 -5.404 116 HD13 ILE 17 2HD1 ILE 17 -4.371 1.886 -4.732 117 HA PRO 18 HA PRO 18 -8.964 -2.277 -7.189 118 HB2 PRO 18 2HB PRO 18 -7.366 -2.736 -9.639 119 HB3 PRO 18 1HB PRO 18 -9.019 -3.238 -9.281 120 HG2 PRO 18 2HG PRO 18 -8.505 -1.278 -11.027 121 HG3 PRO 18 1HG PRO 18 -9.924 -1.223 -9.960 122 HD2 PRO 18 2HD PRO 18 -7.319 0.219 -9.743 123 HD3 PRO 18 1HD PRO 18 -8.961 0.802 -9.395 124 H GLY 19 H GLY 19 -7.757 -3.604 -5.983 125 HA2 GLY 19 2HA GLY 19 -5.038 -2.921 -5.387 126 HA3 GLY 19 1HA GLY 19 -5.968 -4.227 -4.683 127 H TYR 20 H TYR 20 -6.190 -4.647 -7.856 128 HA TYR 20 HA TYR 20 -4.069 -6.606 -7.834 129 HB2 TYR 20 2HB TYR 20 -6.183 -6.112 -9.956 130 HB3 TYR 20 1HB TYR 20 -5.013 -7.429 -9.846 131 HD1 TYR 20 1HD TYR 20 -5.207 -9.132 -8.079 132 HD2 TYR 20 2HD TYR 20 -8.221 -6.201 -8.714 133 HE1 TYR 20 1HE TYR 20 -6.798 -10.499 -6.804 134 HE2 TYR 20 2HE TYR 20 -9.821 -7.561 -7.444 135 HH TYR 20 HH TYR 20 -8.834 -10.178 -5.536 136 H ILE 21 H ILE 21 -4.252 -3.376 -8.617 137 HA ILE 21 HA ILE 21 -2.363 -3.679 -10.863 138 HB ILE 21 HB ILE 21 -2.830 -1.403 -11.536 139 HG12 ILE 21 2HG1 ILE 21 -4.663 -1.186 -9.127 140 HG13 ILE 21 1HG1 ILE 21 -3.074 -0.440 -9.250 141 HG21 ILE 21 1HG2 ILE 21 -5.255 -1.548 -12.020 142 HG22 ILE 21 2HG2 ILE 21 -5.359 -2.891 -10.892 143 HG23 ILE 21 3HG2 ILE 21 -4.385 -3.056 -12.349 144 HD11 ILE 21 3HD1 ILE 21 -5.463 0.160 -10.978 145 HD12 ILE 21 1HD1 ILE 21 -3.869 0.891 -11.143 146 HD13 ILE 21 2HD1 ILE 21 -4.816 1.178 -9.688 147 H VAL 22 H VAL 22 -2.162 -3.533 -7.735 148 HA VAL 22 HA VAL 22 -0.072 -1.498 -7.571 149 HB VAL 22 HB VAL 22 -1.724 -1.321 -5.837 150 HG11 VAL 22 1HG1 VAL 22 -2.607 -3.504 -5.775 151 HG12 VAL 22 2HG1 VAL 22 -2.059 -3.047 -4.170 152 HG13 VAL 22 3HG1 VAL 22 -1.095 -4.171 -5.160 153 HG21 VAL 22 3HG2 VAL 22 0.854 -2.432 -4.788 154 HG22 VAL 22 1HG2 VAL 22 -0.312 -1.497 -3.858 155 HG23 VAL 22 2HG2 VAL 22 0.513 -0.758 -5.225 156 H ARG 23 H ARG 23 1.934 -1.806 -7.049 157 HA ARG 23 HA ARG 23 3.001 -4.467 -7.713 158 HB2 ARG 23 2HB ARG 23 3.610 -2.123 -8.902 159 HB3 ARG 23 1HB ARG 23 4.538 -1.919 -7.475 160 HG2 ARG 23 2HG ARG 23 4.972 -4.337 -9.189 161 HG3 ARG 23 1HG ARG 23 5.788 -2.809 -9.483 162 HD2 ARG 23 2HD ARG 23 6.848 -2.926 -7.314 163 HD3 ARG 23 1HD ARG 23 5.908 -4.362 -6.898 164 HE ARG 23 HE ARG 23 7.036 -5.503 -8.704 165 HH11 ARG 23 1HH1 ARG 23 8.649 -2.619 -7.381 166 HH12 ARG 23 2HH1 ARG 23 10.204 -3.094 -7.868 167 HH21 ARG 23 1HH2 ARG 23 9.174 -6.156 -9.334 168 HH22 ARG 23 2HH2 ARG 23 10.517 -5.158 -9.035 169 H ASN 24 H ASN 24 3.363 -1.781 -5.413 170 HA ASN 24 HA ASN 24 4.376 -3.571 -3.341 171 HB2 ASN 24 2HB ASN 24 6.396 -2.653 -4.478 172 HB3 ASN 24 1HB ASN 24 5.788 -1.021 -4.236 173 HD21 ASN 24 1HD2 ASN 24 7.537 -0.340 -3.002 174 HD22 ASN 24 2HD2 ASN 24 7.829 -0.930 -1.421 175 H PHE 25 H PHE 25 4.301 -2.332 -1.201 176 HA PHE 25 HA PHE 25 2.532 -0.008 -1.282 177 HB2 PHE 25 2HB PHE 25 0.975 -0.926 0.298 178 HB3 PHE 25 1HB PHE 25 0.997 -1.993 -1.077 179 HD1 PHE 25 1HD PHE 25 2.578 -4.071 -0.869 180 HD2 PHE 25 2HD PHE 25 1.240 -1.772 2.446 181 HE1 PHE 25 1HE PHE 25 3.084 -5.934 0.605 182 HE2 PHE 25 2HE PHE 25 1.753 -3.647 3.953 183 HZ PHE 25 HZ PHE 25 2.676 -5.739 3.037 184 H HIS 26 H HIS 26 2.378 0.994 0.810 185 HA HIS 26 HA HIS 26 4.257 0.068 2.840 186 HB2 HIS 26 2HB HIS 26 4.008 3.000 2.025 187 HB3 HIS 26 1HB HIS 26 4.778 2.435 3.486 188 HD1 HIS 26 1HD HIS 26 5.729 3.707 0.446 189 HD2 HIS 26 2HD HIS 26 6.886 0.349 2.576 190 HE1 HIS 26 1HE HIS 26 7.989 3.106 -0.436 191 HE2 HIS 26 2HE HIS 26 8.754 1.194 1.040 192 H TYR 27 H TYR 27 3.092 -0.461 4.459 193 HA TYR 27 HA TYR 27 0.421 0.614 4.832 194 HB2 TYR 27 2HB TYR 27 1.233 -1.813 5.143 195 HB3 TYR 27 1HB TYR 27 1.911 -1.205 6.663 196 HD1 TYR 27 2HD TYR 27 -1.174 -1.349 4.713 197 HD2 TYR 27 1HD TYR 27 0.543 -1.088 8.558 198 HE1 TYR 27 2HE TYR 27 -3.365 -1.555 5.650 199 HE2 TYR 27 1HE TYR 27 -1.694 -1.307 9.567 200 HH TYR 27 HH TYR 27 -4.404 -2.280 7.799 201 H LEU 28 H LEU 28 0.651 2.680 5.435 202 HA LEU 28 HA LEU 28 2.557 3.308 7.524 203 HB2 LEU 28 2HB LEU 28 0.906 5.120 5.805 204 HB3 LEU 28 1HB LEU 28 2.103 5.656 6.959 205 HG LEU 28 HG LEU 28 2.591 4.130 4.407 206 HD11 LEU 28 1HD1 LEU 28 3.420 6.783 5.409 207 HD12 LEU 28 2HD1 LEU 28 2.159 6.509 4.197 208 HD13 LEU 28 3HD1 LEU 28 3.862 6.139 3.826 209 HD21 LEU 28 3HD2 LEU 28 4.559 4.945 6.539 210 HD22 LEU 28 1HD2 LEU 28 4.968 4.286 4.955 211 HD23 LEU 28 2HD2 LEU 28 4.102 3.291 6.126 212 H LEU 29 H LEU 29 2.074 4.115 9.350 213 HA LEU 29 HA LEU 29 -0.733 4.334 10.204 214 HB2 LEU 29 2HB LEU 29 1.276 2.493 11.457 215 HB3 LEU 29 1HB LEU 29 -0.221 2.934 12.228 216 HG LEU 29 HG LEU 29 0.089 1.371 9.677 217 HD11 LEU 29 1HD1 LEU 29 -0.735 -0.499 11.052 218 HD12 LEU 29 2HD1 LEU 29 -0.754 0.560 12.463 219 HD13 LEU 29 3HD1 LEU 29 0.771 0.163 11.676 220 HD21 LEU 29 3HD2 LEU 29 -1.974 2.690 9.661 221 HD22 LEU 29 1HD2 LEU 29 -2.397 2.057 11.254 222 HD23 LEU 29 2HD2 LEU 29 -2.330 0.978 9.859 223 H ILE 30 H ILE 30 -0.882 5.137 12.470 224 HA ILE 30 HA ILE 30 1.131 7.118 13.028 225 HB ILE 30 HB ILE 30 -1.201 6.246 14.793 226 HG12 ILE 30 2HG1 ILE 30 -0.985 8.560 12.838 227 HG13 ILE 30 1HG1 ILE 30 -1.965 7.122 12.612 228 HG21 ILE 30 1HG2 ILE 30 0.615 7.393 15.999 229 HG22 ILE 30 2HG2 ILE 30 -0.822 8.427 15.931 230 HG23 ILE 30 3HG2 ILE 30 0.557 8.705 14.848 231 HD11 ILE 30 3HD1 ILE 30 -3.303 9.027 13.301 232 HD12 ILE 30 1HD1 ILE 30 -2.322 9.200 14.750 233 HD13 ILE 30 2HD1 ILE 30 -3.335 7.770 14.548 234 H LYS 31 H LYS 31 0.230 3.928 14.020 235 HA LYS 31 HA LYS 31 2.004 3.660 16.211 236 HB2 LYS 31 2HB LYS 31 0.974 1.528 14.322 237 HB3 LYS 31 1HB LYS 31 1.760 1.235 15.869 238 HG2 LYS 31 2HG LYS 31 -0.094 2.392 17.012 239 HG3 LYS 31 1HG LYS 31 -0.874 2.637 15.452 240 HD2 LYS 31 2HD LYS 31 -1.848 0.729 16.614 241 HD3 LYS 31 1HD LYS 31 -1.010 0.206 15.152 242 HE2 LYS 31 2HE LYS 31 0.921 -0.468 16.499 243 HE3 LYS 31 1HE LYS 31 0.100 0.091 17.956 244 HZ1 LYS 31 3HZ LYS 31 -0.830 -2.095 16.184 245 HZ2 LYS 31 1HZ LYS 31 -1.584 -1.592 17.600 246 HZ3 LYS 31 2HZ LYS 31 -0.056 -2.308 17.651 247 H ASP 32 H ASP 32 2.336 3.399 12.792 248 HA ASP 32 HA ASP 32 5.055 2.489 12.795 249 HB2 ASP 32 2HB ASP 32 3.722 2.121 10.798 250 HB3 ASP 32 1HB ASP 32 3.389 3.843 10.658 251 H GLY 33 H GLY 33 3.400 5.550 12.809 252 HA2 GLY 33 2HA GLY 33 4.393 7.239 14.204 253 HA3 GLY 33 1HA GLY 33 5.948 6.863 13.516 254 H CYS 34 H CYS 34 2.874 8.434 13.067 255 HA CYS 34 HA CYS 34 3.877 10.603 11.735 256 HB2 CYS 34 2HB CYS 34 4.085 8.873 9.815 257 HB3 CYS 34 1HB CYS 34 2.329 8.830 9.811 258 H ARG 35 H ARG 35 1.691 11.585 10.467 259 HA ARG 35 HA ARG 35 -0.181 11.743 12.695 260 HB2 ARG 35 2HB ARG 35 0.721 13.791 11.693 261 HB3 ARG 35 1HB ARG 35 0.017 13.340 10.151 262 HG2 ARG 35 2HG ARG 35 -2.221 13.504 11.120 263 HG3 ARG 35 1HG ARG 35 -1.509 13.974 12.664 264 HD2 ARG 35 2HD ARG 35 -0.503 15.929 11.612 265 HD3 ARG 35 1HD ARG 35 -1.210 15.465 10.063 266 HE ARG 35 HE ARG 35 -3.242 15.635 11.949 267 HH11 ARG 35 1HH1 ARG 35 -0.988 17.794 10.239 268 HH12 ARG 35 2HH1 ARG 35 -1.979 19.160 10.369 269 HH21 ARG 35 1HH2 ARG 35 -4.626 17.533 12.092 270 HH22 ARG 35 2HH2 ARG 35 -4.101 19.011 11.443 271 H VAL 36 H VAL 36 -0.272 10.846 9.245 272 HA VAL 36 HA VAL 36 -3.007 10.006 9.741 273 HB VAL 36 HB VAL 36 -3.200 11.831 8.234 274 HG11 VAL 36 1HG1 VAL 36 -2.013 12.003 6.101 275 HG12 VAL 36 2HG1 VAL 36 -1.105 10.547 6.503 276 HG13 VAL 36 3HG1 VAL 36 -0.916 12.001 7.481 277 HG21 VAL 36 3HG2 VAL 36 -4.082 10.815 6.146 278 HG22 VAL 36 1HG2 VAL 36 -4.662 9.983 7.602 279 HG23 VAL 36 2HG2 VAL 36 -3.360 9.295 6.621 280 HA PRO 37 HA PRO 37 -1.473 5.969 8.709 281 HB2 PRO 37 2HB PRO 37 -3.551 4.595 9.720 282 HB3 PRO 37 1HB PRO 37 -2.362 5.369 10.776 283 HG2 PRO 37 2HG PRO 37 -5.115 6.247 10.067 284 HG3 PRO 37 1HG PRO 37 -4.251 6.387 11.607 285 HD2 PRO 37 2HD PRO 37 -4.548 8.422 9.726 286 HD3 PRO 37 1HD PRO 37 -3.335 8.380 11.020 287 H ALA 38 H ALA 38 -1.665 4.954 6.819 288 HA ALA 38 HA ALA 38 -4.046 4.222 5.540 289 HB1 ALA 38 1HB ALA 38 -2.562 6.556 4.301 290 HB2 ALA 38 2HB ALA 38 -4.196 6.612 4.966 291 HB3 ALA 38 3HB ALA 38 -3.860 5.645 3.527 292 H VAL 39 H VAL 39 -3.516 2.927 3.648 293 HA VAL 39 HA VAL 39 -0.673 2.305 3.632 294 HB VAL 39 HB VAL 39 -2.174 0.349 4.024 295 HG11 VAL 39 1HG1 VAL 39 -4.137 1.063 2.758 296 HG12 VAL 39 2HG1 VAL 39 -3.567 -0.542 2.263 297 HG13 VAL 39 3HG1 VAL 39 -3.203 0.851 1.260 298 HG21 VAL 39 3HG2 VAL 39 -1.255 -1.153 2.309 299 HG22 VAL 39 1HG2 VAL 39 -0.033 -0.050 2.950 300 HG23 VAL 39 2HG2 VAL 39 -0.753 0.253 1.372 301 H VAL 40 H VAL 40 0.542 2.791 1.896 302 HA VAL 40 HA VAL 40 -0.891 4.108 -0.216 303 HB VAL 40 HB VAL 40 1.091 5.046 -0.910 304 HG11 VAL 40 1HG1 VAL 40 2.116 6.128 1.040 305 HG12 VAL 40 2HG1 VAL 40 1.234 5.004 2.072 306 HG13 VAL 40 3HG1 VAL 40 0.356 6.126 1.027 307 HG21 VAL 40 3HG2 VAL 40 2.615 3.024 0.703 308 HG22 VAL 40 1HG2 VAL 40 3.373 4.439 -0.069 309 HG23 VAL 40 2HG2 VAL 40 2.551 3.233 -1.050 310 H PHE 41 H PHE 41 -1.173 3.221 -2.079 311 HA PHE 41 HA PHE 41 0.141 0.677 -2.587 312 HB2 PHE 41 2HB PHE 41 -2.418 1.823 -3.659 313 HB3 PHE 41 1HB PHE 41 -1.603 0.516 -4.486 314 HD1 PHE 41 2HD PHE 41 -0.691 -1.058 -2.043 315 HD2 PHE 41 1HD PHE 41 -4.407 0.809 -2.984 316 HE1 PHE 41 2HE PHE 41 -1.853 -2.694 -0.666 317 HE2 PHE 41 1HE PHE 41 -5.576 -0.831 -1.599 318 HZ PHE 41 HZ PHE 41 -4.280 -2.620 -0.448 319 H THR 42 H THR 42 1.859 0.732 -3.764 320 HA THR 42 HA THR 42 2.380 2.848 -5.631 321 HB THR 42 HB THR 42 3.817 0.240 -5.035 322 HG1 THR 42 1HG THR 42 5.366 1.943 -4.145 323 HG21 THR 42 3HG2 THR 42 5.745 1.239 -6.227 324 HG22 THR 42 1HG2 THR 42 4.729 2.607 -6.697 325 HG23 THR 42 2HG2 THR 42 4.361 0.963 -7.270 326 H THR 43 H THR 43 0.988 2.731 -7.330 327 HA THR 43 HA THR 43 0.012 0.262 -8.336 328 HB THR 43 HB THR 43 -0.964 1.676 -10.140 329 HG1 THR 43 1HG THR 43 -0.694 4.056 -9.521 330 HG21 THR 43 3HG2 THR 43 -1.337 2.728 -7.327 331 HG22 THR 43 1HG2 THR 43 -2.152 1.322 -8.004 332 HG23 THR 43 2HG2 THR 43 -2.480 2.931 -8.656 333 H LEU 44 H LEU 44 0.170 -0.113 -10.869 334 HA LEU 44 HA LEU 44 2.778 -0.715 -11.564 335 HB2 LEU 44 2HB LEU 44 0.349 -0.269 -13.281 336 HB3 LEU 44 1HB LEU 44 1.837 -1.020 -13.795 337 HG LEU 44 HG LEU 44 -0.047 -2.111 -11.706 338 HD11 LEU 44 1HD1 LEU 44 -0.982 -2.232 -13.940 339 HD12 LEU 44 2HD1 LEU 44 -0.543 -3.836 -13.352 340 HD13 LEU 44 3HD1 LEU 44 0.489 -3.016 -14.526 341 HD21 LEU 44 3HD2 LEU 44 2.262 -2.753 -11.244 342 HD22 LEU 44 1HD2 LEU 44 2.450 -3.315 -12.908 343 HD23 LEU 44 2HD2 LEU 44 1.336 -4.137 -11.818 344 H ARG 45 H ARG 45 0.860 2.086 -11.902 345 HA ARG 45 HA ARG 45 2.266 3.583 -13.830 346 HB2 ARG 45 2HB ARG 45 0.019 4.143 -13.007 347 HB3 ARG 45 1HB ARG 45 0.693 4.528 -11.437 348 HG2 ARG 45 2HG ARG 45 0.210 6.543 -12.628 349 HG3 ARG 45 1HG ARG 45 1.957 6.385 -12.469 350 HD2 ARG 45 2HD ARG 45 0.374 5.631 -14.927 351 HD3 ARG 45 1HD ARG 45 1.174 7.182 -14.713 352 HE ARG 45 HE ARG 45 3.169 5.391 -14.357 353 HH11 ARG 45 1HH1 ARG 45 0.744 5.759 -16.927 354 HH12 ARG 45 2HH1 ARG 45 1.796 5.270 -18.168 355 HH21 ARG 45 1HH2 ARG 45 4.592 4.690 -16.103 356 HH22 ARG 45 2HH2 ARG 45 4.003 4.662 -17.705 357 H GLY 46 H GLY 46 2.910 2.902 -10.469 358 HA2 GLY 46 2HA GLY 46 5.026 3.131 -9.473 359 HA3 GLY 46 1HA GLY 46 5.443 4.336 -10.690 360 H ARG 47 H ARG 47 2.380 4.876 -9.478 361 HA ARG 47 HA ARG 47 3.386 7.065 -7.818 362 HB2 ARG 47 2HB ARG 47 1.622 7.133 -9.886 363 HB3 ARG 47 1HB ARG 47 0.541 6.748 -8.554 364 HG2 ARG 47 2HG ARG 47 2.361 9.110 -8.635 365 HG3 ARG 47 1HG ARG 47 0.675 9.182 -9.125 366 HD2 ARG 47 2HD ARG 47 0.045 8.529 -6.804 367 HD3 ARG 47 1HD ARG 47 1.754 8.555 -6.360 368 HE ARG 47 HE ARG 47 1.155 10.996 -7.521 369 HH11 ARG 47 1HH1 ARG 47 0.329 9.245 -4.521 370 HH12 ARG 47 2HH1 ARG 47 -0.038 10.643 -3.649 371 HH21 ARG 47 1HH2 ARG 47 0.637 12.921 -6.291 372 HH22 ARG 47 2HH2 ARG 47 0.121 12.784 -4.679 373 H GLN 48 H GLN 48 2.797 7.098 -5.677 374 HA GLN 48 HA GLN 48 1.559 4.675 -4.606 375 HB2 GLN 48 2HB GLN 48 2.998 6.930 -3.185 376 HB3 GLN 48 1HB GLN 48 2.481 5.416 -2.454 377 HG2 GLN 48 2HG GLN 48 4.004 4.178 -3.883 378 HG3 GLN 48 1HG GLN 48 4.508 5.668 -4.664 379 HE21 GLN 48 1HE2 GLN 48 6.623 5.446 -4.098 380 HE22 GLN 48 2HE2 GLN 48 7.206 5.593 -2.478 381 H LEU 49 H LEU 49 -0.500 4.714 -4.102 382 HA LEU 49 HA LEU 49 -1.798 7.321 -3.598 383 HB2 LEU 49 2HB LEU 49 -2.931 4.846 -4.871 384 HB3 LEU 49 1HB LEU 49 -3.968 6.091 -4.213 385 HG LEU 49 HG LEU 49 -3.003 7.710 -5.816 386 HD11 LEU 49 1HD1 LEU 49 -0.889 6.710 -6.083 387 HD12 LEU 49 2HD1 LEU 49 -1.649 6.932 -7.667 388 HD13 LEU 49 3HD1 LEU 49 -1.594 5.317 -6.920 389 HD21 LEU 49 3HD2 LEU 49 -4.138 5.218 -7.049 390 HD22 LEU 49 1HD2 LEU 49 -4.090 6.813 -7.799 391 HD23 LEU 49 2HD2 LEU 49 -5.053 6.549 -6.344 392 H CYS 50 H CYS 50 -3.361 7.526 -2.045 393 HA CYS 50 HA CYS 50 -2.868 5.944 0.296 394 HB2 CYS 50 2HB CYS 50 -4.959 8.059 -0.166 395 HB3 CYS 50 1HB CYS 50 -4.260 7.544 1.364 396 H ALA 51 H ALA 51 -4.000 4.069 0.750 397 HA ALA 51 HA ALA 51 -6.801 4.011 -0.054 398 HB1 ALA 51 1HB ALA 51 -6.688 1.714 -0.652 399 HB2 ALA 51 2HB ALA 51 -4.992 1.565 -0.127 400 HB3 ALA 51 3HB ALA 51 -5.449 2.555 -1.526 401 HA PRO 52 HA PRO 52 -7.936 3.422 4.036 402 HB2 PRO 52 2HB PRO 52 -10.002 1.699 3.940 403 HB3 PRO 52 1HB PRO 52 -10.115 3.347 3.301 404 HG2 PRO 52 2HG PRO 52 -9.507 0.794 1.861 405 HG3 PRO 52 1HG PRO 52 -10.717 1.996 1.411 406 HD2 PRO 52 2HD PRO 52 -8.373 1.921 0.240 407 HD3 PRO 52 1HD PRO 52 -9.074 3.494 0.654 408 HA PRO 53 HA PRO 53 -5.625 -0.299 5.181 409 HB2 PRO 53 2HB PRO 53 -5.034 0.490 7.699 410 HB3 PRO 53 1HB PRO 53 -4.164 1.100 6.289 411 HG2 PRO 53 2HG PRO 53 -6.369 2.374 7.853 412 HG3 PRO 53 1HG PRO 53 -4.883 3.108 7.219 413 HD2 PRO 53 2HD PRO 53 -7.298 3.351 6.002 414 HD3 PRO 53 1HD PRO 53 -5.777 3.359 5.100 415 H ASP 54 H ASP 54 -8.489 1.034 6.495 416 HA ASP 54 HA ASP 54 -8.869 -1.281 8.241 417 HB2 ASP 54 2HB ASP 54 -10.364 1.344 8.225 418 HB3 ASP 54 1HB ASP 54 -10.694 -0.009 9.301 419 H GLN 55 H GLN 55 -9.472 -0.747 5.156 420 HA GLN 55 HA GLN 55 -12.150 -1.846 5.364 421 HB2 GLN 55 2HB GLN 55 -10.829 -0.522 3.004 422 HB3 GLN 55 1HB GLN 55 -12.335 -1.416 2.878 423 HG2 GLN 55 2HG GLN 55 -13.374 0.108 4.492 424 HG3 GLN 55 1HG GLN 55 -11.872 1.025 4.585 425 HE21 GLN 55 1HE2 GLN 55 -12.826 2.890 3.824 426 HE22 GLN 55 2HE2 GLN 55 -13.323 3.085 2.186 427 HA PRO 56 HA PRO 56 -10.885 -5.979 4.827 428 HB2 PRO 56 2HB PRO 56 -13.390 -6.096 3.218 429 HB3 PRO 56 1HB PRO 56 -12.813 -7.171 4.496 430 HG2 PRO 56 2HG PRO 56 -14.683 -5.374 5.018 431 HG3 PRO 56 1HG PRO 56 -13.390 -5.695 6.187 432 HD2 PRO 56 2HD PRO 56 -13.759 -3.361 4.372 433 HD3 PRO 56 1HD PRO 56 -13.046 -3.453 6.000 434 H TRP 57 H TRP 57 -12.012 -4.273 1.884 435 HA TRP 57 HA TRP 57 -11.042 -6.231 0.105 436 HB2 TRP 57 2HB TRP 57 -11.335 -4.654 -1.705 437 HB3 TRP 57 1HB TRP 57 -12.660 -4.423 -0.584 438 HD1 TRP 57 HD1 TRP 57 -12.651 -2.005 0.810 439 HE1 TRP 57 1HE TRP 57 -11.539 0.211 0.256 440 HE3 TRP 57 3HE TRP 57 -9.330 -3.612 -2.741 441 HZ2 TRP 57 2HZ TRP 57 -9.496 1.180 -1.452 442 HZ3 TRP 57 3HZ TRP 57 -7.842 -1.937 -3.775 443 HH2 TRP 57 HH2 TRP 57 -7.941 0.388 -3.141 444 H VAL 58 H VAL 58 -9.412 -3.761 1.833 445 HA VAL 58 HA VAL 58 -7.072 -3.759 0.191 446 HB VAL 58 HB VAL 58 -7.701 -2.428 2.839 447 HG11 VAL 58 1HG1 VAL 58 -5.184 -2.158 1.198 448 HG12 VAL 58 2HG1 VAL 58 -5.299 -2.968 2.764 449 HG13 VAL 58 3HG1 VAL 58 -5.593 -1.234 2.641 450 HG21 VAL 58 3HG2 VAL 58 -7.249 -1.345 0.062 451 HG22 VAL 58 1HG2 VAL 58 -7.567 -0.378 1.493 452 HG23 VAL 58 2HG2 VAL 58 -8.796 -1.481 0.883 453 H GLU 59 H GLU 59 -7.972 -5.239 3.285 454 HA GLU 59 HA GLU 59 -5.328 -5.972 3.868 455 HB2 GLU 59 2HB GLU 59 -6.242 -7.441 5.647 456 HB3 GLU 59 1HB GLU 59 -6.794 -5.780 5.721 457 HG2 GLU 59 2HG GLU 59 -8.652 -7.129 6.285 458 HG3 GLU 59 1HG GLU 59 -8.924 -6.589 4.632 459 H ARG 60 H ARG 60 -7.581 -7.510 1.850 460 HA ARG 60 HA ARG 60 -6.268 -10.035 1.853 461 HB2 ARG 60 2HB ARG 60 -8.640 -9.785 1.450 462 HB3 ARG 60 1HB ARG 60 -8.320 -8.833 0.007 463 HG2 ARG 60 2HG ARG 60 -8.921 -11.039 -0.638 464 HG3 ARG 60 1HG ARG 60 -7.190 -10.744 -0.930 465 HD2 ARG 60 2HD ARG 60 -6.587 -11.981 1.069 466 HD3 ARG 60 1HD ARG 60 -8.287 -12.184 1.485 467 HE ARG 60 HE ARG 60 -7.920 -13.293 -1.021 468 HH11 ARG 60 1HH1 ARG 60 -6.805 -13.914 2.300 469 HH12 ARG 60 2HH1 ARG 60 -6.634 -15.584 2.078 470 HH21 ARG 60 1HH2 ARG 60 -7.687 -15.613 -1.318 471 HH22 ARG 60 2HH2 ARG 60 -7.144 -16.584 -0.037 472 H ILE 61 H ILE 61 -6.303 -7.174 -0.267 473 HA ILE 61 HA ILE 61 -4.579 -8.357 -2.209 474 HB ILE 61 HB ILE 61 -4.310 -5.938 -3.050 475 HG12 ILE 61 2HG1 ILE 61 -6.497 -5.529 -1.012 476 HG13 ILE 61 1HG1 ILE 61 -4.878 -4.853 -0.937 477 HG21 ILE 61 1HG2 ILE 61 -6.587 -5.956 -4.062 478 HG22 ILE 61 2HG2 ILE 61 -7.019 -7.263 -2.971 479 HG23 ILE 61 3HG2 ILE 61 -5.759 -7.482 -4.195 480 HD11 ILE 61 3HD1 ILE 61 -6.982 -4.242 -2.984 481 HD12 ILE 61 1HD1 ILE 61 -5.353 -3.561 -2.944 482 HD13 ILE 61 2HD1 ILE 61 -6.485 -3.215 -1.644 483 H ILE 62 H ILE 62 -4.053 -6.395 0.602 484 HA ILE 62 HA ILE 62 -1.345 -5.813 0.340 485 HB ILE 62 HB ILE 62 -2.881 -6.604 2.835 486 HG12 ILE 62 2HG1 ILE 62 -2.025 -3.904 1.773 487 HG13 ILE 62 1HG1 ILE 62 -3.657 -4.552 1.790 488 HG21 ILE 62 1HG2 ILE 62 -1.056 -5.638 4.163 489 HG22 ILE 62 2HG2 ILE 62 -0.104 -5.430 2.695 490 HG23 ILE 62 3HG2 ILE 62 -0.536 -7.050 3.244 491 HD11 ILE 62 3HD1 ILE 62 -3.673 -4.518 4.222 492 HD12 ILE 62 1HD1 ILE 62 -3.298 -2.920 3.569 493 HD13 ILE 62 2HD1 ILE 62 -2.013 -3.926 4.228 494 H GLN 63 H GLN 63 -2.904 -8.795 1.355 495 HA GLN 63 HA GLN 63 -0.618 -10.242 2.118 496 HB2 GLN 63 2HB GLN 63 -3.154 -11.341 0.910 497 HB3 GLN 63 1HB GLN 63 -1.961 -12.254 1.822 498 HG2 GLN 63 2HG GLN 63 -3.725 -10.055 2.855 499 HG3 GLN 63 1HG GLN 63 -3.883 -11.780 3.172 500 HE21 GLN 63 1HE2 GLN 63 -3.555 -9.563 4.965 501 HE22 GLN 63 2HE2 GLN 63 -2.177 -9.867 5.952 502 H ARG 64 H ARG 64 -2.262 -9.897 -0.982 503 HA ARG 64 HA ARG 64 -0.776 -11.723 -2.479 504 HB2 ARG 64 2HB ARG 64 -2.046 -9.121 -3.346 505 HB3 ARG 64 1HB ARG 64 -1.494 -10.398 -4.417 506 HG2 ARG 64 2HG ARG 64 -3.692 -10.650 -2.378 507 HG3 ARG 64 1HG ARG 64 -3.913 -10.463 -4.120 508 HD2 ARG 64 2HD ARG 64 -2.732 -12.563 -4.496 509 HD3 ARG 64 1HD ARG 64 -2.481 -12.745 -2.763 510 HE ARG 64 HE ARG 64 -5.206 -12.429 -3.312 511 HH11 ARG 64 1HH1 ARG 64 -2.595 -14.813 -3.614 512 HH12 ARG 64 2HH1 ARG 64 -3.621 -16.163 -3.579 513 HH21 ARG 64 1HH2 ARG 64 -6.635 -14.304 -3.242 514 HH22 ARG 64 2HH2 ARG 64 -5.984 -15.858 -3.364 515 H LEU 65 H LEU 65 -0.249 -8.300 -1.821 516 HA LEU 65 HA LEU 65 2.125 -8.142 -3.335 517 HB2 LEU 65 2HB LEU 65 1.149 -6.415 -1.087 518 HB3 LEU 65 1HB LEU 65 2.518 -6.045 -2.113 519 HG LEU 65 HG LEU 65 -0.355 -6.256 -2.986 520 HD11 LEU 65 1HD1 LEU 65 0.137 -4.257 -1.719 521 HD12 LEU 65 2HD1 LEU 65 -0.102 -3.861 -3.426 522 HD13 LEU 65 3HD1 LEU 65 1.523 -3.929 -2.767 523 HD21 LEU 65 3HD2 LEU 65 2.132 -5.623 -4.559 524 HD22 LEU 65 1HD2 LEU 65 0.487 -5.481 -5.165 525 HD23 LEU 65 2HD2 LEU 65 1.130 -7.061 -4.731 526 H GLN 66 H GLN 66 1.509 -8.831 0.065 527 HA GLN 66 HA GLN 66 4.239 -8.810 0.792 528 HB2 GLN 66 2HB GLN 66 1.924 -10.263 2.069 529 HB3 GLN 66 1HB GLN 66 3.533 -10.156 2.788 530 HG2 GLN 66 2HG GLN 66 3.312 -7.720 2.815 531 HG3 GLN 66 1HG GLN 66 1.691 -7.871 2.148 532 HE21 GLN 66 1HE2 GLN 66 1.134 -10.271 3.792 533 HE22 GLN 66 2HE2 GLN 66 0.873 -9.659 5.379 534 H ARG 67 H ARG 67 2.160 -11.415 -0.310 535 HA ARG 67 HA ARG 67 4.054 -13.498 -0.087 536 HB2 ARG 67 2HB ARG 67 1.725 -13.254 -2.000 537 HB3 ARG 67 1HB ARG 67 2.622 -14.735 -1.692 538 HG2 ARG 67 2HG ARG 67 1.971 -14.617 0.637 539 HG3 ARG 67 1HG ARG 67 1.003 -13.186 0.311 540 HD2 ARG 67 2HD ARG 67 -0.442 -15.156 0.350 541 HD3 ARG 67 1HD ARG 67 -0.370 -14.496 -1.283 542 HE ARG 67 HE ARG 67 1.603 -16.416 -1.126 543 HH11 ARG 67 1HH1 ARG 67 -1.933 -16.418 -0.768 544 HH12 ARG 67 2HH1 ARG 67 -2.111 -18.000 -1.343 545 HH21 ARG 67 1HH2 ARG 67 1.342 -18.561 -1.908 546 HH22 ARG 67 2HH2 ARG 67 -0.197 -19.264 -2.014 547 H THR 68 H THR 68 3.460 -11.186 -2.556 548 HA THR 68 HA THR 68 5.409 -12.414 -4.306 549 HB THR 68 HB THR 68 4.997 -10.491 -5.831 550 HG1 THR 68 1HG THR 68 2.759 -9.973 -4.143 551 HG21 THR 68 3HG2 THR 68 2.595 -12.132 -5.003 552 HG22 THR 68 1HG2 THR 68 3.852 -12.612 -6.147 553 HG23 THR 68 2HG2 THR 68 2.760 -11.283 -6.539 554 H SER 69 H SER 69 5.421 -9.913 -2.038 555 HA SER 69 HA SER 69 7.899 -8.764 -2.968 556 HB2 SER 69 2HB SER 69 6.249 -7.355 -1.752 557 HB3 SER 69 1HB SER 69 6.498 -8.329 -0.307 558 HG SER 69 HG SER 69 8.383 -7.377 0.042 559 H ALA 70 H ALA 70 6.930 -11.040 -0.471 560 HA ALA 70 HA ALA 70 9.415 -11.248 0.825 561 HB1 ALA 70 1HB ALA 70 8.542 -13.285 1.817 562 HB2 ALA 70 2HB ALA 70 7.250 -13.338 0.617 563 HB3 ALA 70 3HB ALA 70 7.303 -12.028 1.798 564 H LYS 71 H LYS 71 8.401 -12.439 -2.198 565 HA LYS 71 HA LYS 71 10.646 -14.333 -2.280 566 HB2 LYS 71 2HB LYS 71 9.643 -15.206 -4.280 567 HB3 LYS 71 1HB LYS 71 8.524 -15.339 -2.918 568 HG2 LYS 71 2HG LYS 71 7.368 -13.320 -3.801 569 HG3 LYS 71 1HG LYS 71 8.460 -13.344 -5.186 570 HD2 LYS 71 2HD LYS 71 6.547 -15.533 -4.397 571 HD3 LYS 71 1HD LYS 71 6.306 -14.391 -5.726 572 HE2 LYS 71 2HE LYS 71 8.344 -15.292 -6.795 573 HE3 LYS 71 1HE LYS 71 8.499 -16.450 -5.480 574 HZ1 LYS 71 3HZ LYS 71 6.228 -16.290 -7.380 575 HZ2 LYS 71 1HZ LYS 71 6.366 -17.397 -6.107 576 HZ3 LYS 71 2HZ LYS 71 7.451 -17.430 -7.397 577 H MET 72 H MET 72 10.197 -11.247 -2.852 578 HA MET 72 HA MET 72 11.676 -11.171 -5.388 579 HB2 MET 72 2HB MET 72 9.466 -9.895 -5.142 580 HB3 MET 72 1HB MET 72 10.271 -8.886 -3.962 581 HG2 MET 72 2HG MET 72 11.096 -9.146 -6.855 582 HG3 MET 72 1HG MET 72 10.079 -7.863 -6.216 583 HE1 MET 72 3HE MET 72 12.690 -7.390 -7.973 584 HE2 MET 72 1HE MET 72 13.448 -6.068 -7.092 585 HE3 MET 72 2HE MET 72 11.701 -6.076 -7.336 586 H LYS 73 H LYS 73 13.783 -10.695 -5.271 587 HA LYS 73 HA LYS 73 14.918 -10.228 -2.667 588 HB2 LYS 73 2HB LYS 73 15.928 -11.867 -4.210 589 HB3 LYS 73 1HB LYS 73 16.287 -10.576 -5.342 590 HG2 LYS 73 2HG LYS 73 18.278 -11.196 -4.106 591 HG3 LYS 73 1HG LYS 73 17.788 -9.552 -3.689 592 HD2 LYS 73 2HD LYS 73 16.740 -10.371 -1.649 593 HD3 LYS 73 1HD LYS 73 17.176 -12.027 -2.067 594 HE2 LYS 73 2HE LYS 73 19.557 -11.385 -1.965 595 HE3 LYS 73 1HE LYS 73 19.079 -9.753 -1.506 596 HZ1 LYS 73 3HZ LYS 73 18.062 -10.642 0.490 597 HZ2 LYS 73 1HZ LYS 73 19.680 -11.079 0.422 598 HZ3 LYS 73 2HZ LYS 73 18.489 -12.214 0.047 599 H ARG 74 H ARG 74 14.819 -8.201 -1.936 600 HA ARG 74 HA ARG 74 16.225 -6.116 -3.297 601 HB2 ARG 74 2HB ARG 74 14.353 -4.564 -3.390 602 HB3 ARG 74 1HB ARG 74 14.013 -5.972 -4.384 603 HG2 ARG 74 2HG ARG 74 12.558 -6.888 -2.694 604 HG3 ARG 74 1HG ARG 74 12.974 -5.584 -1.583 605 HD2 ARG 74 2HD ARG 74 12.002 -3.973 -3.161 606 HD3 ARG 74 1HD ARG 74 11.546 -5.306 -4.219 607 HE ARG 74 HE ARG 74 10.156 -6.127 -2.362 608 HH11 ARG 74 1HH1 ARG 74 11.039 -2.670 -2.400 609 HH12 ARG 74 2HH1 ARG 74 9.695 -2.185 -1.518 610 HH21 ARG 74 1HH2 ARG 74 8.281 -5.417 -1.156 611 HH22 ARG 74 2HH2 ARG 74 8.069 -3.751 -0.832 612 H ARG 75 H ARG 75 16.050 -4.117 -1.895 613 HA ARG 75 HA ARG 75 16.355 -4.821 0.868 614 HB2 ARG 75 2HB ARG 75 16.233 -2.136 -0.504 615 HB3 ARG 75 1HB ARG 75 16.661 -2.375 1.178 616 HG2 ARG 75 2HG ARG 75 18.650 -3.594 0.524 617 HG3 ARG 75 1HG ARG 75 18.201 -3.445 -1.176 618 HD2 ARG 75 2HD ARG 75 19.877 -1.776 -0.539 619 HD3 ARG 75 1HD ARG 75 18.364 -1.025 -1.032 620 HE ARG 75 HE ARG 75 18.510 -1.433 1.788 621 HH11 ARG 75 1HH1 ARG 75 19.506 0.737 -0.809 622 HH12 ARG 75 2HH1 ARG 75 19.656 2.106 0.177 623 HH21 ARG 75 1HH2 ARG 75 18.721 0.430 3.167 624 HH22 ARG 75 2HH2 ARG 75 19.193 1.922 2.493 625 H SER 76 H SER 76 14.708 -4.936 2.264 626 HA SER 76 HA SER 76 12.106 -4.139 1.365 627 HB2 SER 76 2HB SER 76 12.988 -5.401 3.966 628 HB3 SER 76 1HB SER 76 11.310 -5.175 3.458 629 HG SER 76 HG SER 76 13.139 -6.516 1.791 630 H SER 77 H SER 77 11.815 -2.004 1.324 631 HA SER 77 HA SER 77 12.043 -0.597 3.857 632 HB2 SER 77 2HB SER 77 12.646 0.514 1.091 633 HB3 SER 77 1HB SER 77 12.679 1.427 2.605 634 HG SER 77 HG SER 77 14.128 -0.861 2.643 Start of MODEL 20 1 H1 GLY 1 1HT GLY 1 2.033 18.129 3.015 2 H2 GLY 1 2HT GLY 1 3.597 17.700 2.545 3 H3 GLY 1 3HT GLY 1 2.770 18.932 1.736 4 HA2 GLY 1 1HA GLY 1 2.779 20.315 3.691 5 HA3 GLY 1 2HA GLY 1 3.617 19.038 4.563 6 H THR 2 H THR 2 5.062 21.003 4.854 7 HA THR 2 HA THR 2 6.692 21.848 2.703 8 HB THR 2 HB THR 2 7.203 21.985 5.689 9 HG1 THR 2 1HG THR 2 5.755 23.505 5.736 10 HG21 THR 2 3HG2 THR 2 9.167 22.522 4.287 11 HG22 THR 2 1HG2 THR 2 8.557 23.962 5.103 12 HG23 THR 2 2HG2 THR 2 8.203 23.698 3.396 13 H ASN 3 H ASN 3 8.470 20.927 1.909 14 HA ASN 3 HA ASN 3 10.165 19.530 1.482 15 HB2 ASN 3 2HB ASN 3 11.079 20.087 3.725 16 HB3 ASN 3 1HB ASN 3 10.079 18.834 4.440 17 HD21 ASN 3 1HD2 ASN 3 11.849 17.745 5.263 18 HD22 ASN 3 2HD2 ASN 3 12.947 16.865 4.270 19 H ASP 4 H ASP 4 9.819 17.841 0.251 20 HA ASP 4 HA ASP 4 7.561 16.138 0.838 21 HB2 ASP 4 2HB ASP 4 7.927 17.081 -1.446 22 HB3 ASP 4 1HB ASP 4 9.391 16.109 -1.575 23 H ALA 5 H ALA 5 9.714 15.802 2.585 24 HA ALA 5 HA ALA 5 10.953 13.263 1.946 25 HB1 ALA 5 1HB ALA 5 11.904 13.383 4.220 26 HB2 ALA 5 2HB ALA 5 10.899 14.795 4.552 27 HB3 ALA 5 3HB ALA 5 12.172 14.889 3.337 28 H GLU 6 H GLU 6 8.065 14.224 2.771 29 HA GLU 6 HA GLU 6 7.148 12.378 4.716 30 HB2 GLU 6 2HB GLU 6 4.880 13.082 3.979 31 HB3 GLU 6 1HB GLU 6 5.937 14.440 4.326 32 HG2 GLU 6 2HG GLU 6 6.345 14.712 1.909 33 HG3 GLU 6 1HG GLU 6 5.247 13.375 1.599 34 H ASP 7 H ASP 7 6.981 10.278 4.470 35 HA ASP 7 HA ASP 7 6.607 9.123 1.793 36 HB2 ASP 7 2HB ASP 7 8.533 8.294 3.151 37 HB3 ASP 7 1HB ASP 7 7.396 7.753 4.380 38 H CYS 8 H CYS 8 4.955 9.907 4.567 39 HA CYS 8 HA CYS 8 2.939 7.916 4.387 40 HB2 CYS 8 2HB CYS 8 3.115 10.534 5.858 41 HB3 CYS 8 1HB CYS 8 1.828 9.357 6.027 42 H CYS 9 H CYS 9 0.727 8.491 3.923 43 HA CYS 9 HA CYS 9 0.489 10.228 1.647 44 HB2 CYS 9 2HB CYS 9 -1.303 8.328 3.058 45 HB3 CYS 9 1HB CYS 9 -1.929 9.364 1.766 46 H LEU 10 H LEU 10 -1.662 11.420 1.576 47 HA LEU 10 HA LEU 10 -1.881 13.103 3.948 48 HB2 LEU 10 2HB LEU 10 -2.787 13.565 1.111 49 HB3 LEU 10 1HB LEU 10 -2.953 14.699 2.434 50 HG LEU 10 HG LEU 10 -0.357 13.769 1.214 51 HD11 LEU 10 1HD1 LEU 10 -1.793 16.411 1.085 52 HD12 LEU 10 2HD1 LEU 10 -1.616 15.255 -0.237 53 HD13 LEU 10 3HD1 LEU 10 -0.195 16.062 0.425 54 HD21 LEU 10 3HD2 LEU 10 0.670 15.474 2.646 55 HD22 LEU 10 1HD2 LEU 10 -0.127 14.211 3.587 56 HD23 LEU 10 2HD2 LEU 10 -0.905 15.782 3.393 57 H SER 11 H SER 11 -3.702 11.079 1.589 58 HA SER 11 HA SER 11 -5.831 10.739 3.456 59 HB2 SER 11 2HB SER 11 -6.331 12.334 0.927 60 HB3 SER 11 1HB SER 11 -7.577 11.700 1.998 61 HG SER 11 HG SER 11 -5.868 13.053 3.464 62 H VAL 12 H VAL 12 -7.532 9.358 2.443 63 HA VAL 12 HA VAL 12 -6.681 8.075 -0.012 64 HB VAL 12 HB VAL 12 -7.047 5.945 0.758 65 HG11 VAL 12 1HG1 VAL 12 -5.154 6.733 1.942 66 HG12 VAL 12 2HG1 VAL 12 -6.005 5.529 2.914 67 HG13 VAL 12 3HG1 VAL 12 -6.153 7.246 3.300 68 HG21 VAL 12 3HG2 VAL 12 -8.814 6.947 3.002 69 HG22 VAL 12 1HG2 VAL 12 -8.353 5.251 2.738 70 HG23 VAL 12 2HG2 VAL 12 -9.270 6.086 1.509 71 H THR 13 H THR 13 -8.698 7.363 -1.161 72 HA THR 13 HA THR 13 -10.961 8.908 -0.204 73 HB THR 13 HB THR 13 -10.380 9.376 -2.550 74 HG1 THR 13 1HG THR 13 -12.429 9.679 -2.628 75 HG21 THR 13 3HG2 THR 13 -9.388 7.246 -3.153 76 HG22 THR 13 1HG2 THR 13 -10.661 7.675 -4.298 77 HG23 THR 13 2HG2 THR 13 -10.963 6.464 -3.051 78 H GLN 14 H GLN 14 -13.166 7.632 -0.970 79 HA GLN 14 HA GLN 14 -13.567 5.761 1.019 80 HB2 GLN 14 2HB GLN 14 -15.370 6.951 -0.115 81 HB3 GLN 14 1HB GLN 14 -15.075 6.024 -1.578 82 HG2 GLN 14 2HG GLN 14 -15.707 3.984 -0.430 83 HG3 GLN 14 1HG GLN 14 -15.948 4.909 1.056 84 HE21 GLN 14 1HE2 GLN 14 -17.690 6.234 1.230 85 HE22 GLN 14 2HE2 GLN 14 -19.046 6.156 0.164 86 H LYS 15 H LYS 15 -13.035 5.108 -2.430 87 HA LYS 15 HA LYS 15 -11.607 2.773 -1.671 88 HB2 LYS 15 2HB LYS 15 -13.938 1.974 -1.936 89 HB3 LYS 15 1HB LYS 15 -13.923 2.584 -3.586 90 HG2 LYS 15 2HG LYS 15 -12.248 1.027 -4.219 91 HG3 LYS 15 1HG LYS 15 -12.029 0.542 -2.533 92 HD2 LYS 15 2HD LYS 15 -13.385 -1.123 -3.762 93 HD3 LYS 15 1HD LYS 15 -14.307 -0.353 -2.472 94 HE2 LYS 15 2HE LYS 15 -15.273 1.186 -4.187 95 HE3 LYS 15 1HE LYS 15 -14.438 0.244 -5.424 96 HZ1 LYS 15 3HZ LYS 15 -16.467 -0.776 -3.533 97 HZ2 LYS 15 1HZ LYS 15 -15.719 -1.713 -4.709 98 HZ3 LYS 15 2HZ LYS 15 -16.764 -0.429 -5.127 99 HA PRO 16 HA PRO 16 -9.457 5.550 -4.588 100 HB2 PRO 16 2HB PRO 16 -7.025 4.162 -4.135 101 HB3 PRO 16 1HB PRO 16 -7.613 5.615 -3.338 102 HG2 PRO 16 2HG PRO 16 -7.914 2.756 -2.426 103 HG3 PRO 16 1HG PRO 16 -7.504 4.193 -1.515 104 HD2 PRO 16 2HD PRO 16 -9.848 3.213 -1.363 105 HD3 PRO 16 1HD PRO 16 -9.630 4.946 -1.527 106 H ILE 17 H ILE 17 -7.899 2.350 -4.915 107 HA ILE 17 HA ILE 17 -8.699 2.404 -7.730 108 HB ILE 17 HB ILE 17 -6.444 1.956 -8.522 109 HG12 ILE 17 2HG1 ILE 17 -5.453 0.831 -6.538 110 HG13 ILE 17 1HG1 ILE 17 -4.415 2.094 -7.158 111 HG21 ILE 17 1HG2 ILE 17 -6.545 4.466 -6.917 112 HG22 ILE 17 2HG2 ILE 17 -7.096 4.216 -8.572 113 HG23 ILE 17 3HG2 ILE 17 -5.375 4.119 -8.190 114 HD11 ILE 17 3HD1 ILE 17 -6.137 2.222 -4.682 115 HD12 ILE 17 1HD1 ILE 17 -5.157 3.555 -5.302 116 HD13 ILE 17 2HD1 ILE 17 -4.383 2.072 -4.757 117 HA PRO 18 HA PRO 18 -8.984 -2.025 -7.332 118 HB2 PRO 18 2HB PRO 18 -7.713 -2.831 -9.663 119 HB3 PRO 18 1HB PRO 18 -9.412 -2.350 -9.578 120 HG2 PRO 18 2HG PRO 18 -7.030 -0.757 -10.431 121 HG3 PRO 18 1HG PRO 18 -8.659 -0.795 -11.127 122 HD2 PRO 18 2HD PRO 18 -7.887 1.222 -9.567 123 HD3 PRO 18 1HD PRO 18 -9.529 0.576 -9.476 124 H GLY 19 H GLY 19 -7.713 -3.301 -6.140 125 HA2 GLY 19 2HA GLY 19 -5.022 -2.512 -5.623 126 HA3 GLY 19 1HA GLY 19 -5.863 -3.856 -4.892 127 H TYR 20 H TYR 20 -6.093 -4.251 -8.123 128 HA TYR 20 HA TYR 20 -3.935 -6.145 -8.042 129 HB2 TYR 20 2HB TYR 20 -6.117 -5.712 -10.079 130 HB3 TYR 20 1HB TYR 20 -4.873 -6.966 -10.153 131 HD1 TYR 20 1HD TYR 20 -4.821 -8.754 -8.464 132 HD2 TYR 20 2HD TYR 20 -8.013 -5.956 -8.639 133 HE1 TYR 20 1HE TYR 20 -6.186 -10.241 -7.076 134 HE2 TYR 20 2HE TYR 20 -9.396 -7.435 -7.249 135 HH TYR 20 HH TYR 20 -9.532 -9.784 -6.686 136 H ILE 21 H ILE 21 -4.156 -2.947 -8.815 137 HA ILE 21 HA ILE 21 -2.165 -3.197 -10.951 138 HB ILE 21 HB ILE 21 -2.500 -0.832 -11.457 139 HG12 ILE 21 2HG1 ILE 21 -4.626 -0.822 -9.294 140 HG13 ILE 21 1HG1 ILE 21 -3.041 -0.061 -9.149 141 HG21 ILE 21 1HG2 ILE 21 -4.810 -0.932 -12.287 142 HG22 ILE 21 2HG2 ILE 21 -5.092 -2.348 -11.273 143 HG23 ILE 21 3HG2 ILE 21 -3.912 -2.423 -12.580 144 HD11 ILE 21 3HD1 ILE 21 -5.208 0.666 -11.112 145 HD12 ILE 21 1HD1 ILE 21 -3.625 1.433 -11.006 146 HD13 ILE 21 2HD1 ILE 21 -4.760 1.569 -9.663 147 H VAL 22 H VAL 22 -2.048 -3.227 -7.797 148 HA VAL 22 HA VAL 22 0.074 -1.257 -7.554 149 HB VAL 22 HB VAL 22 -1.430 -1.061 -5.707 150 HG11 VAL 22 1HG1 VAL 22 -2.523 -3.128 -5.728 151 HG12 VAL 22 2HG1 VAL 22 -1.845 -2.862 -4.134 152 HG13 VAL 22 3HG1 VAL 22 -1.072 -4.008 -5.267 153 HG21 VAL 22 3HG2 VAL 22 1.058 -2.481 -4.822 154 HG22 VAL 22 1HG2 VAL 22 0.022 -1.518 -3.777 155 HG23 VAL 22 2HG2 VAL 22 0.879 -0.755 -5.115 156 H ARG 23 H ARG 23 2.060 -1.508 -7.310 157 HA ARG 23 HA ARG 23 3.177 -4.045 -8.168 158 HB2 ARG 23 2HB ARG 23 3.745 -1.509 -8.894 159 HB3 ARG 23 1HB ARG 23 4.747 -1.587 -7.483 160 HG2 ARG 23 2HG ARG 23 5.001 -3.469 -9.820 161 HG3 ARG 23 1HG ARG 23 5.985 -2.038 -9.552 162 HD2 ARG 23 2HD ARG 23 6.825 -3.006 -7.486 163 HD3 ARG 23 1HD ARG 23 5.801 -4.420 -7.722 164 HE ARG 23 HE ARG 23 7.368 -4.083 -9.991 165 HH11 ARG 23 1HH1 ARG 23 7.852 -4.868 -6.563 166 HH12 ARG 23 2HH1 ARG 23 9.188 -5.883 -6.864 167 HH21 ARG 23 1HH2 ARG 23 9.193 -5.442 -10.371 168 HH22 ARG 23 2HH2 ARG 23 9.981 -6.212 -9.056 169 H ASN 24 H ASN 24 3.745 -1.670 -5.554 170 HA ASN 24 HA ASN 24 4.176 -3.780 -3.600 171 HB2 ASN 24 2HB ASN 24 6.207 -1.599 -4.163 172 HB3 ASN 24 1HB ASN 24 6.115 -2.412 -2.616 173 HD21 ASN 24 1HD2 ASN 24 6.756 -4.562 -2.478 174 HD22 ASN 24 2HD2 ASN 24 7.742 -5.295 -3.700 175 H PHE 25 H PHE 25 4.039 -2.932 -1.407 176 HA PHE 25 HA PHE 25 2.666 -0.352 -1.316 177 HB2 PHE 25 2HB PHE 25 0.987 -1.222 0.157 178 HB3 PHE 25 1HB PHE 25 0.964 -2.195 -1.285 179 HD1 PHE 25 1HD PHE 25 2.148 -4.467 -1.233 180 HD2 PHE 25 2HD PHE 25 1.303 -2.218 2.272 181 HE1 PHE 25 1HE PHE 25 2.423 -6.492 0.133 182 HE2 PHE 25 2HE PHE 25 1.576 -4.226 3.635 183 HZ PHE 25 HZ PHE 25 2.139 -6.374 2.567 184 H HIS 26 H HIS 26 2.604 0.520 0.877 185 HA HIS 26 HA HIS 26 4.540 -0.606 2.755 186 HB2 HIS 26 2HB HIS 26 4.392 2.369 2.065 187 HB3 HIS 26 1HB HIS 26 5.336 1.658 3.352 188 HD1 HIS 26 1HD HIS 26 6.044 3.192 0.382 189 HD2 HIS 26 2HD HIS 26 7.043 -0.577 1.833 190 HE1 HIS 26 1HE HIS 26 8.065 2.500 -0.896 191 HE2 HIS 26 2HE HIS 26 8.844 0.443 0.311 192 H TYR 27 H TYR 27 3.821 -0.473 4.864 193 HA TYR 27 HA TYR 27 1.040 0.388 5.128 194 HB2 TYR 27 2HB TYR 27 2.076 -1.972 5.633 195 HB3 TYR 27 1HB TYR 27 2.557 -1.190 7.141 196 HD1 TYR 27 2HD TYR 27 -0.412 -1.411 4.970 197 HD2 TYR 27 1HD TYR 27 1.105 -1.506 8.919 198 HE1 TYR 27 2HE TYR 27 -2.633 -1.860 5.755 199 HE2 TYR 27 1HE TYR 27 -1.169 -1.967 9.784 200 HH TYR 27 HH TYR 27 -3.731 -2.871 7.732 201 H LEU 28 H LEU 28 0.932 2.438 5.821 202 HA LEU 28 HA LEU 28 2.941 3.583 7.623 203 HB2 LEU 28 2HB LEU 28 0.737 4.818 5.951 204 HB3 LEU 28 1HB LEU 28 1.727 5.743 7.036 205 HG LEU 28 HG LEU 28 2.333 6.060 4.693 206 HD11 LEU 28 1HD1 LEU 28 4.499 4.657 6.226 207 HD12 LEU 28 2HD1 LEU 28 4.014 6.364 6.334 208 HD13 LEU 28 3HD1 LEU 28 4.704 5.750 4.841 209 HD21 LEU 28 3HD2 LEU 28 3.410 4.322 3.393 210 HD22 LEU 28 1HD2 LEU 28 1.765 3.859 3.834 211 HD23 LEU 28 2HD2 LEU 28 3.137 3.169 4.700 212 H LEU 29 H LEU 29 2.439 3.769 9.752 213 HA LEU 29 HA LEU 29 -0.417 3.847 10.476 214 HB2 LEU 29 2HB LEU 29 1.871 2.656 12.036 215 HB3 LEU 29 1HB LEU 29 0.213 2.749 12.581 216 HG LEU 29 HG LEU 29 1.238 1.173 10.261 217 HD11 LEU 29 1HD1 LEU 29 0.645 -0.793 11.654 218 HD12 LEU 29 2HD1 LEU 29 0.224 0.291 12.976 219 HD13 LEU 29 3HD1 LEU 29 1.889 0.201 12.406 220 HD21 LEU 29 3HD2 LEU 29 -1.029 1.927 9.824 221 HD22 LEU 29 1HD2 LEU 29 -1.555 1.351 11.408 222 HD23 LEU 29 2HD2 LEU 29 -1.044 0.203 10.170 223 H ILE 30 H ILE 30 -0.579 4.743 12.829 224 HA ILE 30 HA ILE 30 0.599 7.348 12.770 225 HB ILE 30 HB ILE 30 -0.913 6.083 15.095 226 HG12 ILE 30 2HG1 ILE 30 -1.957 7.754 12.781 227 HG13 ILE 30 1HG1 ILE 30 -2.240 6.039 13.009 228 HG21 ILE 30 1HG2 ILE 30 0.352 8.066 15.703 229 HG22 ILE 30 2HG2 ILE 30 -1.365 8.473 15.691 230 HG23 ILE 30 3HG2 ILE 30 -0.288 8.955 14.356 231 HD11 ILE 30 3HD1 ILE 30 -4.174 7.359 13.658 232 HD12 ILE 30 1HD1 ILE 30 -3.192 8.234 14.834 233 HD13 ILE 30 2HD1 ILE 30 -3.494 6.509 15.044 234 H LYS 31 H LYS 31 1.466 4.356 13.936 235 HA LYS 31 HA LYS 31 3.269 4.964 16.023 236 HB2 LYS 31 2HB LYS 31 3.386 2.739 13.998 237 HB3 LYS 31 1HB LYS 31 4.239 2.769 15.532 238 HG2 LYS 31 2HG LYS 31 1.257 2.672 15.138 239 HG3 LYS 31 1HG LYS 31 2.300 1.336 15.617 240 HD2 LYS 31 2HD LYS 31 1.840 3.883 17.192 241 HD3 LYS 31 1HD LYS 31 1.112 2.319 17.541 242 HE2 LYS 31 2HE LYS 31 3.343 1.372 17.948 243 HE3 LYS 31 1HE LYS 31 4.069 2.933 17.574 244 HZ1 LYS 31 3HZ LYS 31 2.232 2.365 19.835 245 HZ2 LYS 31 1HZ LYS 31 2.922 3.873 19.469 246 HZ3 LYS 31 2HZ LYS 31 3.903 2.578 19.927 247 H ASP 32 H ASP 32 3.441 5.035 12.554 248 HA ASP 32 HA ASP 32 6.266 5.504 12.410 249 HB2 ASP 32 2HB ASP 32 4.111 5.979 10.335 250 HB3 ASP 32 1HB ASP 32 5.840 6.097 10.038 251 H GLY 33 H GLY 33 3.799 7.391 13.514 252 HA2 GLY 33 2HA GLY 33 4.217 9.492 14.467 253 HA3 GLY 33 1HA GLY 33 5.442 9.806 13.261 254 H CYS 34 H CYS 34 3.124 8.586 11.477 255 HA CYS 34 HA CYS 34 2.055 11.221 10.862 256 HB2 CYS 34 2HB CYS 34 1.830 8.606 9.368 257 HB3 CYS 34 1HB CYS 34 1.319 10.184 8.778 258 H ARG 35 H ARG 35 0.077 11.734 11.464 259 HA ARG 35 HA ARG 35 -1.377 9.744 12.902 260 HB2 ARG 35 2HB ARG 35 -3.009 11.574 13.588 261 HB3 ARG 35 1HB ARG 35 -1.376 11.697 14.181 262 HG2 ARG 35 2HG ARG 35 -2.438 13.281 11.842 263 HG3 ARG 35 1HG ARG 35 -2.499 13.850 13.503 264 HD2 ARG 35 2HD ARG 35 0.004 13.297 11.849 265 HD3 ARG 35 1HD ARG 35 -0.595 14.839 12.416 266 HE ARG 35 HE ARG 35 -0.112 13.110 14.600 267 HH11 ARG 35 1HH1 ARG 35 1.585 15.170 12.265 268 HH12 ARG 35 2HH1 ARG 35 2.960 15.382 13.245 269 HH21 ARG 35 1HH2 ARG 35 1.822 13.403 15.934 270 HH22 ARG 35 2HH2 ARG 35 3.106 14.346 15.343 271 H VAL 36 H VAL 36 -1.345 10.288 9.839 272 HA VAL 36 HA VAL 36 -4.071 9.297 9.576 273 HB VAL 36 HB VAL 36 -3.741 11.266 8.156 274 HG11 VAL 36 1HG1 VAL 36 -2.103 11.358 6.338 275 HG12 VAL 36 2HG1 VAL 36 -1.442 9.813 6.866 276 HG13 VAL 36 3HG1 VAL 36 -1.319 11.223 7.912 277 HG21 VAL 36 3HG2 VAL 36 -4.242 10.334 5.912 278 HG22 VAL 36 1HG2 VAL 36 -5.185 9.573 7.198 279 HG23 VAL 36 2HG2 VAL 36 -3.792 8.743 6.496 280 HA PRO 37 HA PRO 37 -1.656 5.534 8.993 281 HB2 PRO 37 2HB PRO 37 -3.527 3.810 9.912 282 HB3 PRO 37 1HB PRO 37 -2.527 4.759 11.004 283 HG2 PRO 37 2HG PRO 37 -5.361 5.184 10.208 284 HG3 PRO 37 1HG PRO 37 -4.577 5.479 11.767 285 HD2 PRO 37 2HD PRO 37 -5.153 7.422 9.851 286 HD3 PRO 37 1HD PRO 37 -3.982 7.600 11.173 287 H ALA 38 H ALA 38 -1.566 4.440 7.135 288 HA ALA 38 HA ALA 38 -3.844 3.716 5.604 289 HB1 ALA 38 1HB ALA 38 -2.199 6.010 4.566 290 HB2 ALA 38 2HB ALA 38 -3.846 6.133 5.207 291 HB3 ALA 38 3HB ALA 38 -3.535 5.183 3.762 292 H VAL 39 H VAL 39 -3.196 2.662 3.606 293 HA VAL 39 HA VAL 39 -0.368 1.915 3.674 294 HB VAL 39 HB VAL 39 -1.814 -0.031 4.084 295 HG11 VAL 39 1HG1 VAL 39 -3.846 0.709 2.994 296 HG12 VAL 39 2HG1 VAL 39 -3.347 -0.884 2.416 297 HG13 VAL 39 3HG1 VAL 39 -3.059 0.539 1.416 298 HG21 VAL 39 3HG2 VAL 39 -1.029 -1.523 2.304 299 HG22 VAL 39 1HG2 VAL 39 0.237 -0.427 2.864 300 HG23 VAL 39 2HG2 VAL 39 -0.590 -0.111 1.339 301 H VAL 40 H VAL 40 0.885 2.614 2.019 302 HA VAL 40 HA VAL 40 -0.469 3.983 -0.081 303 HB VAL 40 HB VAL 40 1.572 4.768 -0.854 304 HG11 VAL 40 1HG1 VAL 40 2.747 5.775 1.048 305 HG12 VAL 40 2HG1 VAL 40 1.762 4.770 2.111 306 HG13 VAL 40 3HG1 VAL 40 0.998 5.944 1.054 307 HG21 VAL 40 3HG2 VAL 40 3.003 2.658 0.720 308 HG22 VAL 40 1HG2 VAL 40 3.826 4.032 -0.063 309 HG23 VAL 40 2HG2 VAL 40 2.896 2.890 -1.030 310 H PHE 41 H PHE 41 -1.032 3.135 -1.886 311 HA PHE 41 HA PHE 41 0.186 0.643 -2.653 312 HB2 PHE 41 2HB PHE 41 -2.326 2.031 -3.492 313 HB3 PHE 41 1HB PHE 41 -1.679 0.769 -4.490 314 HD1 PHE 41 2HD PHE 41 -0.713 -1.013 -2.118 315 HD2 PHE 41 1HD PHE 41 -4.365 1.044 -2.892 316 HE1 PHE 41 2HE PHE 41 -1.905 -2.665 -0.800 317 HE2 PHE 41 1HE PHE 41 -5.566 -0.618 -1.544 318 HZ PHE 41 HZ PHE 41 -4.317 -2.498 -0.506 319 H THR 42 H THR 42 1.946 0.867 -3.709 320 HA THR 42 HA THR 42 2.348 3.093 -5.496 321 HB THR 42 HB THR 42 3.997 0.618 -4.916 322 HG1 THR 42 1HG THR 42 3.587 2.683 -3.486 323 HG21 THR 42 3HG2 THR 42 5.839 1.793 -6.086 324 HG22 THR 42 1HG2 THR 42 4.724 3.086 -6.539 325 HG23 THR 42 2HG2 THR 42 4.490 1.450 -7.164 326 H THR 43 H THR 43 1.098 2.987 -7.284 327 HA THR 43 HA THR 43 0.239 0.514 -8.314 328 HB THR 43 HB THR 43 -0.718 1.882 -10.149 329 HG1 THR 43 1HG THR 43 -0.560 4.233 -9.483 330 HG21 THR 43 3HG2 THR 43 -1.177 2.974 -7.369 331 HG22 THR 43 1HG2 THR 43 -1.946 1.540 -8.045 332 HG23 THR 43 2HG2 THR 43 -2.283 3.133 -8.732 333 H LEU 44 H LEU 44 0.555 -0.050 -10.711 334 HA LEU 44 HA LEU 44 3.207 -0.652 -11.209 335 HB2 LEU 44 2HB LEU 44 0.865 -0.472 -13.084 336 HB3 LEU 44 1HB LEU 44 2.380 -1.269 -13.420 337 HG LEU 44 HG LEU 44 0.419 -2.095 -11.281 338 HD11 LEU 44 1HD1 LEU 44 -0.457 -2.509 -13.490 339 HD12 LEU 44 2HD1 LEU 44 0.005 -4.024 -12.715 340 HD13 LEU 44 3HD1 LEU 44 1.040 -3.316 -13.958 341 HD21 LEU 44 3HD2 LEU 44 2.711 -2.661 -10.670 342 HD22 LEU 44 1HD2 LEU 44 2.957 -3.423 -12.243 343 HD23 LEU 44 2HD2 LEU 44 1.806 -4.110 -11.099 344 H ARG 45 H ARG 45 1.233 2.044 -12.103 345 HA ARG 45 HA ARG 45 2.958 3.144 -14.065 346 HB2 ARG 45 2HB ARG 45 0.525 3.670 -13.849 347 HB3 ARG 45 1HB ARG 45 0.879 4.555 -12.376 348 HG2 ARG 45 2HG ARG 45 0.593 6.075 -14.237 349 HG3 ARG 45 1HG ARG 45 2.265 6.118 -13.670 350 HD2 ARG 45 2HD ARG 45 2.918 4.616 -15.489 351 HD3 ARG 45 1HD ARG 45 1.249 4.557 -16.050 352 HE ARG 45 HE ARG 45 2.005 7.214 -15.951 353 HH11 ARG 45 1HH1 ARG 45 2.926 4.287 -17.749 354 HH12 ARG 45 2HH1 ARG 45 3.452 5.118 -19.130 355 HH21 ARG 45 1HH2 ARG 45 2.710 8.370 -17.924 356 HH22 ARG 45 2HH2 ARG 45 3.302 7.468 -19.228 357 H GLY 46 H GLY 46 3.066 3.025 -10.647 358 HA2 GLY 46 2HA GLY 46 5.049 3.557 -9.486 359 HA3 GLY 46 1HA GLY 46 5.399 4.780 -10.692 360 H ARG 47 H ARG 47 2.191 4.732 -9.527 361 HA ARG 47 HA ARG 47 2.784 7.205 -8.092 362 HB2 ARG 47 2HB ARG 47 0.242 6.119 -9.260 363 HB3 ARG 47 1HB ARG 47 0.279 7.538 -8.228 364 HG2 ARG 47 2HG ARG 47 1.777 8.639 -9.855 365 HG3 ARG 47 1HG ARG 47 1.704 7.200 -10.869 366 HD2 ARG 47 2HD ARG 47 -0.649 8.935 -10.114 367 HD3 ARG 47 1HD ARG 47 0.210 8.993 -11.647 368 HE ARG 47 HE ARG 47 -1.138 6.539 -10.743 369 HH11 ARG 47 1HH1 ARG 47 -0.747 9.081 -13.199 370 HH12 ARG 47 2HH1 ARG 47 -1.746 8.303 -14.342 371 HH21 ARG 47 1HH2 ARG 47 -2.511 5.499 -12.341 372 HH22 ARG 47 2HH2 ARG 47 -2.764 6.242 -13.838 373 H GLN 48 H GLN 48 2.729 7.262 -5.962 374 HA GLN 48 HA GLN 48 1.641 5.009 -4.524 375 HB2 GLN 48 2HB GLN 48 3.075 7.498 -3.556 376 HB3 GLN 48 1HB GLN 48 2.415 6.292 -2.472 377 HG2 GLN 48 2HG GLN 48 4.759 5.924 -2.661 378 HG3 GLN 48 1HG GLN 48 3.942 4.617 -3.497 379 HE21 GLN 48 1HE2 GLN 48 5.718 4.124 -4.713 380 HE22 GLN 48 2HE2 GLN 48 6.315 5.131 -5.979 381 H LEU 49 H LEU 49 -0.276 4.947 -3.662 382 HA LEU 49 HA LEU 49 -1.719 7.403 -3.045 383 HB2 LEU 49 2HB LEU 49 -2.280 6.826 -5.401 384 HB3 LEU 49 1HB LEU 49 -2.777 5.236 -4.842 385 HG LEU 49 HG LEU 49 -4.621 6.226 -3.573 386 HD11 LEU 49 1HD1 LEU 49 -3.685 8.860 -4.707 387 HD12 LEU 49 2HD1 LEU 49 -3.630 8.373 -3.012 388 HD13 LEU 49 3HD1 LEU 49 -5.181 8.595 -3.816 389 HD21 LEU 49 3HD2 LEU 49 -4.986 5.566 -5.902 390 HD22 LEU 49 1HD2 LEU 49 -4.539 7.191 -6.424 391 HD23 LEU 49 2HD2 LEU 49 -5.983 6.952 -5.445 392 H CYS 50 H CYS 50 -2.879 7.070 -1.132 393 HA CYS 50 HA CYS 50 -2.647 4.402 -0.131 394 HB2 CYS 50 2HB CYS 50 -3.319 7.000 1.073 395 HB3 CYS 50 1HB CYS 50 -3.657 5.492 1.920 396 H ALA 51 H ALA 51 -4.217 3.272 0.907 397 HA ALA 51 HA ALA 51 -7.000 3.819 0.174 398 HB1 ALA 51 1HB ALA 51 -7.302 1.474 -0.309 399 HB2 ALA 51 2HB ALA 51 -5.602 1.130 0.085 400 HB3 ALA 51 3HB ALA 51 -6.033 2.117 -1.319 401 HA PRO 52 HA PRO 52 -7.840 3.198 4.406 402 HB2 PRO 52 2HB PRO 52 -10.116 1.719 4.502 403 HB3 PRO 52 1HB PRO 52 -10.108 3.403 3.967 404 HG2 PRO 52 2HG PRO 52 -10.076 0.898 2.305 405 HG3 PRO 52 1HG PRO 52 -11.083 2.325 2.071 406 HD2 PRO 52 2HD PRO 52 -8.892 1.828 0.680 407 HD3 PRO 52 1HD PRO 52 -9.333 3.491 1.060 408 HA PRO 53 HA PRO 53 -5.516 -0.679 4.719 409 HB2 PRO 53 2HB PRO 53 -4.458 -0.259 7.169 410 HB3 PRO 53 1HB PRO 53 -3.871 0.564 5.719 411 HG2 PRO 53 2HG PRO 53 -5.787 1.549 7.800 412 HG3 PRO 53 1HG PRO 53 -4.389 2.384 7.099 413 HD2 PRO 53 2HD PRO 53 -6.889 2.880 6.241 414 HD3 PRO 53 1HD PRO 53 -5.530 2.869 5.111 415 H ASP 54 H ASP 54 -8.114 0.240 6.665 416 HA ASP 54 HA ASP 54 -8.017 -2.200 8.290 417 HB2 ASP 54 2HB ASP 54 -8.502 0.012 9.358 418 HB3 ASP 54 1HB ASP 54 -9.979 0.097 8.413 419 H GLN 55 H GLN 55 -9.545 -0.924 5.514 420 HA GLN 55 HA GLN 55 -11.988 -2.340 5.783 421 HB2 GLN 55 2HB GLN 55 -10.826 -0.836 3.455 422 HB3 GLN 55 1HB GLN 55 -12.433 -1.549 3.455 423 HG2 GLN 55 2HG GLN 55 -11.477 0.520 5.419 424 HG3 GLN 55 1HG GLN 55 -12.447 0.864 3.986 425 HE21 GLN 55 1HE2 GLN 55 -14.586 0.263 3.983 426 HE22 GLN 55 2HE2 GLN 55 -15.453 -0.199 5.392 427 HA PRO 56 HA PRO 56 -11.115 -6.426 4.483 428 HB2 PRO 56 2HB PRO 56 -13.617 -6.092 2.906 429 HB3 PRO 56 1HB PRO 56 -13.145 -7.396 4.004 430 HG2 PRO 56 2HG PRO 56 -14.864 -5.571 4.811 431 HG3 PRO 56 1HG PRO 56 -13.581 -6.123 5.901 432 HD2 PRO 56 2HD PRO 56 -13.799 -3.569 4.379 433 HD3 PRO 56 1HD PRO 56 -13.137 -3.887 5.998 434 H TRP 57 H TRP 57 -12.128 -4.206 1.868 435 HA TRP 57 HA TRP 57 -11.255 -5.974 -0.175 436 HB2 TRP 57 2HB TRP 57 -11.683 -4.259 -1.783 437 HB3 TRP 57 1HB TRP 57 -12.905 -4.047 -0.547 438 HD1 TRP 57 HD1 TRP 57 -12.701 -1.693 0.956 439 HE1 TRP 57 1HE TRP 57 -11.460 0.492 0.437 440 HE3 TRP 57 3HE TRP 57 -9.656 -3.306 -2.836 441 HZ2 TRP 57 2HZ TRP 57 -9.456 1.405 -1.309 442 HZ3 TRP 57 3HZ TRP 57 -8.123 -1.698 -3.865 443 HH2 TRP 57 HH2 TRP 57 -8.034 0.608 -3.120 444 H VAL 58 H VAL 58 -9.604 -3.677 1.785 445 HA VAL 58 HA VAL 58 -7.348 -3.448 0.034 446 HB VAL 58 HB VAL 58 -7.801 -2.402 2.850 447 HG11 VAL 58 1HG1 VAL 58 -5.472 -1.890 1.011 448 HG12 VAL 58 2HG1 VAL 58 -5.401 -2.855 2.490 449 HG13 VAL 58 3HG1 VAL 58 -5.745 -1.126 2.571 450 HG21 VAL 58 3HG2 VAL 58 -7.610 -1.007 0.181 451 HG22 VAL 58 1HG2 VAL 58 -7.848 -0.227 1.724 452 HG23 VAL 58 2HG2 VAL 58 -9.084 -1.304 1.094 453 H GLU 59 H GLU 59 -8.080 -5.212 3.015 454 HA GLU 59 HA GLU 59 -5.451 -6.077 3.449 455 HB2 GLU 59 2HB GLU 59 -6.377 -7.847 4.879 456 HB3 GLU 59 1HB GLU 59 -7.084 -6.276 5.215 457 HG2 GLU 59 2HG GLU 59 -9.080 -6.886 3.994 458 HG3 GLU 59 1HG GLU 59 -8.363 -8.434 3.564 459 H ARG 60 H ARG 60 -7.947 -7.417 1.419 460 HA ARG 60 HA ARG 60 -6.748 -9.934 0.947 461 HB2 ARG 60 2HB ARG 60 -8.564 -8.373 -0.883 462 HB3 ARG 60 1HB ARG 60 -8.187 -10.085 -1.032 463 HG2 ARG 60 2HG ARG 60 -9.644 -8.776 1.253 464 HG3 ARG 60 1HG ARG 60 -10.359 -9.771 -0.015 465 HD2 ARG 60 2HD ARG 60 -9.048 -11.686 0.738 466 HD3 ARG 60 1HD ARG 60 -8.291 -10.690 1.978 467 HE ARG 60 HE ARG 60 -11.024 -10.497 2.319 468 HH11 ARG 60 1HH1 ARG 60 -8.526 -13.027 2.580 469 HH12 ARG 60 2HH1 ARG 60 -9.354 -13.867 3.792 470 HH21 ARG 60 1HH2 ARG 60 -12.113 -11.661 3.943 471 HH22 ARG 60 2HH2 ARG 60 -11.450 -13.093 4.594 472 H ILE 61 H ILE 61 -6.470 -6.920 -0.790 473 HA ILE 61 HA ILE 61 -4.696 -8.043 -2.710 474 HB ILE 61 HB ILE 61 -4.310 -5.585 -3.344 475 HG12 ILE 61 2HG1 ILE 61 -6.609 -5.286 -1.398 476 HG13 ILE 61 1HG1 ILE 61 -4.997 -4.623 -1.205 477 HG21 ILE 61 1HG2 ILE 61 -6.605 -5.533 -4.457 478 HG22 ILE 61 2HG2 ILE 61 -7.019 -6.908 -3.444 479 HG23 ILE 61 3HG2 ILE 61 -5.742 -7.061 -4.628 480 HD11 ILE 61 3HD1 ILE 61 -7.015 -3.859 -3.288 481 HD12 ILE 61 1HD1 ILE 61 -5.394 -3.175 -3.121 482 HD13 ILE 61 2HD1 ILE 61 -6.582 -2.946 -1.848 483 H ILE 62 H ILE 62 -4.267 -6.271 0.266 484 HA ILE 62 HA ILE 62 -1.484 -5.959 0.180 485 HB ILE 62 HB ILE 62 -3.304 -6.512 2.547 486 HG12 ILE 62 2HG1 ILE 62 -2.097 -3.930 1.525 487 HG13 ILE 62 1HG1 ILE 62 -3.787 -4.402 1.447 488 HG21 ILE 62 1HG2 ILE 62 -1.500 -5.710 3.998 489 HG22 ILE 62 2HG2 ILE 62 -0.425 -5.642 2.602 490 HG23 ILE 62 3HG2 ILE 62 -1.073 -7.192 3.140 491 HD11 ILE 62 3HD1 ILE 62 -3.930 -4.346 3.884 492 HD12 ILE 62 1HD1 ILE 62 -3.386 -2.795 3.240 493 HD13 ILE 62 2HD1 ILE 62 -2.226 -3.902 3.972 494 H GLN 63 H GLN 63 -3.434 -8.661 1.446 495 HA GLN 63 HA GLN 63 -1.322 -10.336 2.198 496 HB2 GLN 63 2HB GLN 63 -4.066 -11.144 1.238 497 HB3 GLN 63 1HB GLN 63 -2.939 -12.182 2.098 498 HG2 GLN 63 2HG GLN 63 -4.216 -9.680 3.155 499 HG3 GLN 63 1HG GLN 63 -4.666 -11.337 3.538 500 HE21 GLN 63 1HE2 GLN 63 -3.339 -12.528 4.926 501 HE22 GLN 63 2HE2 GLN 63 -2.094 -11.799 5.865 502 H ARG 64 H ARG 64 -2.985 -9.971 -0.841 503 HA ARG 64 HA ARG 64 -1.852 -12.082 -2.274 504 HB2 ARG 64 2HB ARG 64 -3.686 -10.710 -3.167 505 HB3 ARG 64 1HB ARG 64 -2.591 -9.340 -3.315 506 HG2 ARG 64 2HG ARG 64 -1.231 -10.607 -4.863 507 HG3 ARG 64 1HG ARG 64 -2.364 -11.955 -4.781 508 HD2 ARG 64 2HD ARG 64 -4.130 -10.483 -5.638 509 HD3 ARG 64 1HD ARG 64 -2.965 -9.168 -5.777 510 HE ARG 64 HE ARG 64 -2.725 -11.704 -7.230 511 HH11 ARG 64 1HH1 ARG 64 -2.428 -8.167 -7.177 512 HH12 ARG 64 2HH1 ARG 64 -2.022 -8.045 -8.834 513 HH21 ARG 64 1HH2 ARG 64 -2.169 -11.518 -9.486 514 HH22 ARG 64 2HH2 ARG 64 -1.882 -9.983 -10.177 515 H LEU 65 H LEU 65 -0.659 -8.724 -1.900 516 HA LEU 65 HA LEU 65 1.717 -9.248 -3.354 517 HB2 LEU 65 2HB LEU 65 1.012 -7.023 -1.450 518 HB3 LEU 65 1HB LEU 65 2.474 -7.055 -2.412 519 HG LEU 65 HG LEU 65 -0.357 -6.871 -3.442 520 HD11 LEU 65 1HD1 LEU 65 0.379 -4.818 -2.483 521 HD12 LEU 65 2HD1 LEU 65 0.408 -4.642 -4.252 522 HD13 LEU 65 3HD1 LEU 65 1.900 -4.895 -3.364 523 HD21 LEU 65 3HD2 LEU 65 2.247 -6.923 -4.963 524 HD22 LEU 65 1HD2 LEU 65 0.664 -6.565 -5.647 525 HD23 LEU 65 2HD2 LEU 65 0.993 -8.167 -4.995 526 H GLN 66 H GLN 66 0.810 -9.542 0.001 527 HA GLN 66 HA GLN 66 3.433 -9.842 0.944 528 HB2 GLN 66 2HB GLN 66 0.851 -10.752 2.177 529 HB3 GLN 66 1HB GLN 66 2.413 -11.001 2.934 530 HG2 GLN 66 2HG GLN 66 2.763 -8.562 2.819 531 HG3 GLN 66 1HG GLN 66 1.093 -8.396 2.293 532 HE21 GLN 66 1HE2 GLN 66 0.549 -7.224 4.178 533 HE22 GLN 66 2HE2 GLN 66 0.339 -8.011 5.694 534 H ARG 67 H ARG 67 1.424 -12.017 -0.715 535 HA ARG 67 HA ARG 67 2.653 -14.440 0.169 536 HB2 ARG 67 2HB ARG 67 1.433 -13.904 -2.551 537 HB3 ARG 67 1HB ARG 67 1.804 -15.487 -1.898 538 HG2 ARG 67 2HG ARG 67 0.169 -15.088 -0.099 539 HG3 ARG 67 1HG ARG 67 -0.249 -13.551 -0.857 540 HD2 ARG 67 2HD ARG 67 -0.572 -16.314 -2.025 541 HD3 ARG 67 1HD ARG 67 -1.853 -15.222 -1.501 542 HE ARG 67 HE ARG 67 -0.049 -14.397 -3.652 543 HH11 ARG 67 1HH1 ARG 67 -3.328 -15.296 -2.653 544 HH12 ARG 67 2HH1 ARG 67 -4.045 -14.867 -4.127 545 HH21 ARG 67 1HH2 ARG 67 -1.011 -13.845 -5.677 546 HH22 ARG 67 2HH2 ARG 67 -2.677 -14.038 -5.917 547 H THR 68 H THR 68 3.317 -12.281 -2.546 548 HA THR 68 HA THR 68 5.624 -13.769 -3.308 549 HB THR 68 HB THR 68 5.968 -11.794 -4.821 550 HG1 THR 68 1HG THR 68 4.693 -10.198 -3.998 551 HG21 THR 68 3HG2 THR 68 3.418 -13.395 -5.026 552 HG22 THR 68 1HG2 THR 68 5.010 -13.892 -5.606 553 HG23 THR 68 2HG2 THR 68 4.173 -12.540 -6.368 554 H SER 69 H SER 69 4.993 -11.284 -1.125 555 HA SER 69 HA SER 69 7.717 -10.422 -1.001 556 HB2 SER 69 2HB SER 69 5.332 -9.803 0.710 557 HB3 SER 69 1HB SER 69 6.916 -9.063 0.847 558 HG SER 69 HG SER 69 5.131 -8.930 -1.355 559 H ALA 70 H ALA 70 5.907 -12.982 0.227 560 HA ALA 70 HA ALA 70 7.102 -13.266 2.802 561 HB1 ALA 70 1HB ALA 70 6.064 -15.466 2.846 562 HB2 ALA 70 2HB ALA 70 5.715 -15.352 1.122 563 HB3 ALA 70 3HB ALA 70 4.923 -14.257 2.254 564 H LYS 71 H LYS 71 7.985 -14.228 -0.381 565 HA LYS 71 HA LYS 71 9.979 -16.134 0.379 566 HB2 LYS 71 2HB LYS 71 8.965 -16.124 -1.868 567 HB3 LYS 71 1HB LYS 71 9.638 -14.532 -2.174 568 HG2 LYS 71 2HG LYS 71 10.928 -16.242 -3.303 569 HG3 LYS 71 1HG LYS 71 11.895 -15.465 -2.047 570 HD2 LYS 71 2HD LYS 71 11.434 -17.353 -0.554 571 HD3 LYS 71 1HD LYS 71 10.494 -18.131 -1.835 572 HE2 LYS 71 2HE LYS 71 12.473 -18.177 -3.248 573 HE3 LYS 71 1HE LYS 71 13.410 -17.395 -1.980 574 HZ1 LYS 71 3HZ LYS 71 12.152 -20.087 -1.801 575 HZ2 LYS 71 1HZ LYS 71 13.007 -19.333 -0.565 576 HZ3 LYS 71 2HZ LYS 71 13.788 -19.757 -1.991 577 H MET 72 H MET 72 9.723 -12.783 0.099 578 HA MET 72 HA MET 72 12.581 -12.234 0.351 579 HB2 MET 72 2HB MET 72 11.209 -10.987 -1.325 580 HB3 MET 72 1HB MET 72 10.143 -10.459 -0.040 581 HG2 MET 72 2HG MET 72 11.905 -9.115 0.874 582 HG3 MET 72 1HG MET 72 13.039 -9.705 -0.348 583 HE1 MET 72 3HE MET 72 9.706 -7.681 0.269 584 HE2 MET 72 1HE MET 72 9.221 -8.834 -0.979 585 HE3 MET 72 2HE MET 72 9.335 -7.122 -1.362 586 H LYS 73 H LYS 73 12.745 -10.175 2.072 587 HA LYS 73 HA LYS 73 12.003 -11.226 4.624 588 HB2 LYS 73 2HB LYS 73 13.016 -9.200 5.536 589 HB3 LYS 73 1HB LYS 73 14.068 -9.960 4.353 590 HG2 LYS 73 2HG LYS 73 13.473 -8.322 2.680 591 HG3 LYS 73 1HG LYS 73 12.257 -7.630 3.742 592 HD2 LYS 73 2HD LYS 73 15.220 -7.666 4.329 593 HD3 LYS 73 1HD LYS 73 14.346 -6.306 3.615 594 HE2 LYS 73 2HE LYS 73 12.931 -6.175 5.625 595 HE3 LYS 73 1HE LYS 73 13.829 -7.511 6.343 596 HZ1 LYS 73 3HZ LYS 73 14.588 -5.370 7.167 597 HZ2 LYS 73 1HZ LYS 73 14.993 -4.882 5.591 598 HZ3 LYS 73 2HZ LYS 73 15.803 -6.164 6.323 599 H ARG 74 H ARG 74 10.088 -9.748 2.422 600 HA ARG 74 HA ARG 74 8.127 -8.606 2.411 601 HB2 ARG 74 2HB ARG 74 7.358 -9.975 4.268 602 HB3 ARG 74 1HB ARG 74 8.287 -9.024 5.407 603 HG2 ARG 74 2HG ARG 74 6.801 -7.100 4.960 604 HG3 ARG 74 1HG ARG 74 5.848 -8.128 3.885 605 HD2 ARG 74 2HD ARG 74 5.315 -9.620 5.704 606 HD3 ARG 74 1HD ARG 74 6.375 -8.723 6.788 607 HE ARG 74 HE ARG 74 4.370 -7.061 5.664 608 HH11 ARG 74 1HH1 ARG 74 4.893 -9.503 8.169 609 HH12 ARG 74 2HH1 ARG 74 3.667 -8.937 9.197 610 HH21 ARG 74 1HH2 ARG 74 2.667 -6.271 7.084 611 HH22 ARG 74 2HH2 ARG 74 2.375 -7.070 8.555 612 H ARG 75 H ARG 75 7.711 -6.455 2.073 613 HA ARG 75 HA ARG 75 9.730 -4.694 3.124 614 HB2 ARG 75 2HB ARG 75 7.577 -4.158 1.077 615 HB3 ARG 75 1HB ARG 75 8.695 -2.933 1.646 616 HG2 ARG 75 2HG ARG 75 9.433 -5.470 0.197 617 HG3 ARG 75 1HG ARG 75 9.425 -3.841 -0.485 618 HD2 ARG 75 2HD ARG 75 11.143 -3.162 1.135 619 HD3 ARG 75 1HD ARG 75 11.157 -4.788 1.803 620 HE ARG 75 HE ARG 75 11.671 -4.823 -0.979 621 HH11 ARG 75 1HH1 ARG 75 13.196 -4.148 2.163 622 HH12 ARG 75 2HH1 ARG 75 14.766 -4.426 1.614 623 HH21 ARG 75 1HH2 ARG 75 13.853 -5.207 -1.727 624 HH22 ARG 75 2HH2 ARG 75 15.149 -5.029 -0.648 625 H SER 76 H SER 76 9.220 -4.868 5.147 626 HA SER 76 HA SER 76 7.809 -2.687 6.213 627 HB2 SER 76 2HB SER 76 5.890 -4.316 5.861 628 HB3 SER 76 1HB SER 76 6.745 -5.472 6.871 629 HG SER 76 HG SER 76 6.209 -4.423 8.584 630 H SER 77 H SER 77 9.770 -2.248 7.138 631 HA SER 77 HA SER 77 10.697 -3.958 9.257 632 HB2 SER 77 2HB SER 77 11.773 -4.835 7.151 633 HB3 SER 77 1HB SER 77 12.457 -3.240 6.883 634 HG SER 77 HG SER 77 13.316 -3.733 9.212
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