NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
618767 | 5o6f | 26802 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H2 MET 1 2H MET 1 7.085 -10.233 -8.663 2 H MET 1 1H MET 1 7.816 -10.233 -7.140 3 H3 MET 1 3H MET 1 6.767 -11.489 -7.574 4 HA MET 1 HA MET 1 6.047 -8.647 -7.168 5 HB2 MET 1 1HB MET 1 3.745 -9.317 -7.528 6 HB3 MET 1 2HB MET 1 4.701 -9.748 -8.938 7 HG2 MET 1 1HG MET 1 4.679 -12.036 -8.381 8 HG3 MET 1 2HG MET 1 4.077 -11.711 -6.758 9 HE1 MET 1 1HE MET 1 1.609 -11.048 -6.185 10 HE2 MET 1 2HE MET 1 0.374 -10.693 -7.393 11 HE3 MET 1 3HE MET 1 1.759 -9.620 -7.207 12 H ALA 2 H ALA 2 4.558 -8.371 -5.360 13 HA ALA 2 HA ALA 2 4.234 -10.531 -3.476 14 HB1 ALA 2 1HB ALA 2 5.870 -8.118 -2.688 15 HB2 ALA 2 2HB ALA 2 6.491 -9.754 -2.906 16 HB3 ALA 2 3HB ALA 2 5.342 -9.412 -1.612 17 H GLN 3 H GLN 3 2.756 -9.990 -1.796 18 HA GLN 3 HA GLN 3 1.389 -7.408 -2.123 19 HB2 GLN 3 1HB GLN 3 0.105 -10.091 -1.593 20 HB3 GLN 3 2HB GLN 3 -0.731 -8.550 -1.513 21 HG2 GLN 3 1HG GLN 3 -0.225 -8.188 -3.891 22 HG3 GLN 3 2HG GLN 3 0.517 -9.786 -3.950 23 HE21 GLN 3 1HE2 GLN 3 -1.744 -8.776 -5.437 24 HE22 GLN 3 2HE2 GLN 3 -3.081 -9.801 -5.045 25 H GLY 4 H GLY 4 0.029 -6.960 -0.096 26 HA2 GLY 4 1HA GLY 4 0.443 -8.269 2.310 27 HA3 GLY 4 2HA GLY 4 1.746 -7.104 2.154 28 H THR 5 H THR 5 0.894 -6.140 4.038 29 HA THR 5 HA THR 5 -1.307 -4.283 3.439 30 HB THR 5 HB THR 5 -0.778 -5.433 6.181 31 HG1 THR 5 HG1 THR 5 -2.113 -7.051 5.742 32 HG21 THR 5 1HG2 THR 5 -3.163 -3.998 5.009 33 HG22 THR 5 2HG2 THR 5 -1.963 -3.287 6.089 34 HG23 THR 5 3HG2 THR 5 -3.017 -4.579 6.669 35 H VAL 6 H VAL 6 -0.603 -2.237 3.569 36 HA VAL 6 HA VAL 6 1.948 -1.569 4.566 37 HB VAL 6 HB VAL 6 1.190 -0.059 2.974 38 HG11 VAL 6 1HG1 VAL 6 -1.139 -0.631 2.967 39 HG12 VAL 6 2HG1 VAL 6 -0.961 1.119 3.090 40 HG13 VAL 6 3HG1 VAL 6 -1.374 0.173 4.518 41 HG21 VAL 6 1HG2 VAL 6 0.982 2.115 4.096 42 HG22 VAL 6 2HG2 VAL 6 2.254 1.118 4.810 43 HG23 VAL 6 3HG2 VAL 6 0.697 1.284 5.627 44 H LYS 7 H LYS 7 2.549 -1.682 6.572 45 HA LYS 7 HA LYS 7 0.630 -1.856 8.673 46 HB2 LYS 7 1HB LYS 7 2.594 -2.165 10.142 47 HB3 LYS 7 2HB LYS 7 2.561 -3.267 8.780 48 HG2 LYS 7 1HG LYS 7 4.266 -2.032 7.656 49 HG3 LYS 7 2HG LYS 7 4.208 -0.756 8.873 50 HD2 LYS 7 1HD LYS 7 6.121 -2.287 9.195 51 HD3 LYS 7 2HD LYS 7 5.015 -2.286 10.571 52 HE2 LYS 7 1HE LYS 7 3.954 -4.332 9.627 53 HE3 LYS 7 2HE LYS 7 5.200 -4.354 8.384 54 HZ1 LYS 7 1HZ LYS 7 5.691 -5.840 10.248 55 HZ2 LYS 7 2HZ LYS 7 5.711 -4.520 11.304 56 HZ3 LYS 7 3HZ LYS 7 6.874 -4.638 10.077 57 H TRP 8 H TRP 8 2.805 0.544 7.447 58 HA TRP 8 HA TRP 8 1.196 2.601 8.522 59 HB2 TRP 8 1HB TRP 8 2.811 3.727 9.950 60 HB3 TRP 8 2HB TRP 8 2.484 2.117 10.570 61 HD1 TRP 8 HD1 TRP 8 4.489 0.391 10.618 62 HE1 TRP 8 HE1 TRP 8 7.037 0.687 10.392 63 HE3 TRP 8 HE3 TRP 8 4.587 5.111 8.654 64 HZ2 TRP 8 HZ2 TRP 8 8.842 2.664 9.511 65 HZ3 TRP 8 HZ3 TRP 8 6.765 6.131 8.146 66 HH2 TRP 8 HH2 TRP 8 8.849 4.928 8.564 67 H PHE 9 H PHE 9 1.647 4.606 7.576 68 HA PHE 9 HA PHE 9 3.939 4.774 5.804 69 HB2 PHE 9 1HB PHE 9 2.122 3.706 4.466 70 HB3 PHE 9 2HB PHE 9 1.139 5.141 4.727 71 HD1 PHE 9 HD1 PHE 9 4.133 3.812 3.090 72 HD2 PHE 9 HD2 PHE 9 1.550 7.162 3.517 73 HE1 PHE 9 HE1 PHE 9 5.182 4.865 1.130 74 HE2 PHE 9 HE2 PHE 9 2.591 8.218 1.556 75 HZ PHE 9 HZ PHE 9 4.411 7.073 0.362 76 H ASN 10 H ASN 10 4.767 6.721 5.825 77 HA ASN 10 HA ASN 10 3.254 8.911 7.019 78 HB2 ASN 10 1HB ASN 10 5.588 8.430 7.761 79 HB3 ASN 10 2HB ASN 10 6.149 8.810 6.141 80 HD21 ASN 10 1HD2 ASN 10 6.671 10.043 8.785 81 HD22 ASN 10 2HD2 ASN 10 6.308 11.720 8.575 82 H ALA 11 H ALA 11 1.928 9.819 5.598 83 HA ALA 11 HA ALA 11 2.401 9.825 2.790 84 HB1 ALA 11 1HB ALA 11 0.322 11.297 4.397 85 HB2 ALA 11 2HB ALA 11 0.152 9.677 3.721 86 HB3 ALA 11 3HB ALA 11 0.308 11.069 2.648 87 H GLU 12 H GLU 12 3.154 11.976 5.360 88 HA GLU 12 HA GLU 12 3.300 14.358 3.790 89 HB2 GLU 12 1HB GLU 12 2.971 14.277 6.282 90 HB3 GLU 12 2HB GLU 12 4.656 13.787 6.424 91 HG2 GLU 12 1HG GLU 12 4.409 16.159 6.834 92 HG3 GLU 12 2HG GLU 12 5.355 15.870 5.374 93 H LYS 13 H LYS 13 5.609 11.982 4.979 94 HA LYS 13 HA LYS 13 7.819 13.349 3.691 95 HB2 LYS 13 1HB LYS 13 7.728 10.747 5.209 96 HB3 LYS 13 2HB LYS 13 9.187 11.548 4.652 97 HG2 LYS 13 1HG LYS 13 7.228 12.689 6.622 98 HG3 LYS 13 2HG LYS 13 8.748 11.900 7.035 99 HD2 LYS 13 1HD LYS 13 9.908 13.623 5.633 100 HD3 LYS 13 2HD LYS 13 8.360 14.458 5.504 101 HE2 LYS 13 1HE LYS 13 8.264 14.654 7.939 102 HE3 LYS 13 2HE LYS 13 9.808 13.817 8.066 103 HZ1 LYS 13 1HZ LYS 13 9.331 16.452 6.790 104 HZ2 LYS 13 2HZ LYS 13 10.810 15.637 6.776 105 HZ3 LYS 13 3HZ LYS 13 10.149 16.168 8.241 106 H GLY 14 H GLY 14 5.789 10.568 3.213 107 HA2 GLY 14 1HA GLY 14 5.325 9.633 1.112 108 HA3 GLY 14 2HA GLY 14 6.806 10.344 0.492 109 H PHE 15 H PHE 15 6.652 8.413 3.445 110 HA PHE 15 HA PHE 15 7.526 6.047 2.013 111 HB2 PHE 15 1HB PHE 15 9.585 5.732 3.211 112 HB3 PHE 15 2HB PHE 15 9.624 7.313 2.447 113 HD1 PHE 15 HD1 PHE 15 9.814 9.302 3.741 114 HD2 PHE 15 HD2 PHE 15 9.282 5.538 5.659 115 HE1 PHE 15 HE1 PHE 15 10.421 10.314 5.899 116 HE2 PHE 15 HE2 PHE 15 9.877 6.552 7.817 117 HZ PHE 15 HZ PHE 15 10.449 8.941 7.939 118 H GLY 16 H GLY 16 7.692 4.139 3.442 119 HA2 GLY 16 1HA GLY 16 6.684 4.185 6.092 120 HA3 GLY 16 2HA GLY 16 5.389 3.805 4.963 121 H PHE 17 H PHE 17 5.309 1.740 6.109 122 HA PHE 17 HA PHE 17 7.147 -0.153 4.833 123 HB2 PHE 17 1HB PHE 17 6.730 0.182 7.761 124 HB3 PHE 17 2HB PHE 17 6.889 -1.456 7.135 125 HD1 PHE 17 HD1 PHE 17 8.595 1.722 7.697 126 HD2 PHE 17 HD2 PHE 17 8.957 -2.232 6.184 127 HE1 PHE 17 HE1 PHE 17 11.043 1.958 7.682 128 HE2 PHE 17 HE2 PHE 17 11.403 -2.006 6.160 129 HZ PHE 17 HZ PHE 17 12.452 0.091 6.912 130 H ILE 18 H ILE 18 6.312 -2.076 4.310 131 HA ILE 18 HA ILE 18 3.453 -2.513 4.859 132 HB ILE 18 HB ILE 18 5.101 -3.342 2.467 133 HG12 ILE 18 1HG1 ILE 18 2.609 -1.661 2.495 134 HG13 ILE 18 2HG1 ILE 18 4.218 -0.961 2.640 135 HG21 ILE 18 1HG2 ILE 18 2.248 -4.026 3.131 136 HG22 ILE 18 2HG2 ILE 18 3.604 -5.146 2.983 137 HG23 ILE 18 3HG2 ILE 18 3.009 -4.289 1.562 138 HD11 ILE 18 1HD1 ILE 18 4.829 -1.874 0.476 139 HD12 ILE 18 2HD1 ILE 18 3.377 -0.880 0.346 140 HD13 ILE 18 3HD1 ILE 18 3.246 -2.639 0.339 141 H ALA 19 H ALA 19 2.804 -4.539 5.496 142 HA ALA 19 HA ALA 19 4.931 -6.447 6.181 143 HB1 ALA 19 1HB ALA 19 3.415 -5.801 7.999 144 HB2 ALA 19 2HB ALA 19 3.261 -7.516 7.611 145 HB3 ALA 19 3HB ALA 19 2.040 -6.370 7.053 146 HA PRO 20 HA PRO 20 3.509 -8.131 2.145 147 HB2 PRO 20 1HB PRO 20 5.854 -9.825 2.812 148 HB3 PRO 20 2HB PRO 20 5.433 -9.038 1.292 149 HG2 PRO 20 1HG PRO 20 7.353 -8.055 2.852 150 HG3 PRO 20 2HG PRO 20 6.249 -6.985 1.973 151 HD2 PRO 20 1HD PRO 20 6.314 -7.678 4.860 152 HD3 PRO 20 2HD PRO 20 5.847 -6.164 4.073 153 H ASP 21 H ASP 21 2.459 -9.944 1.611 154 HA ASP 21 HA ASP 21 1.482 -11.662 3.681 155 HB2 ASP 21 1HB ASP 21 0.110 -10.929 1.749 156 HB3 ASP 21 2HB ASP 21 1.165 -11.832 0.673 157 H ASP 22 H ASP 22 4.218 -11.626 1.778 158 HA ASP 22 HA ASP 22 4.580 -14.460 1.440 159 HB2 ASP 22 1HB ASP 22 5.405 -12.753 -0.190 160 HB3 ASP 22 2HB ASP 22 6.579 -12.236 1.012 161 H GLY 23 H GLY 23 4.344 -13.284 4.185 162 HA2 GLY 23 1HA GLY 23 5.235 -14.349 6.132 163 HA3 GLY 23 2HA GLY 23 6.760 -14.550 5.281 164 H SER 24 H SER 24 5.641 -11.574 4.595 165 HA SER 24 HA SER 24 6.219 -9.476 5.117 166 HB2 SER 24 1HB SER 24 5.788 -8.806 7.483 167 HB3 SER 24 2HB SER 24 4.480 -9.714 6.731 168 HG SER 24 HG SER 24 6.259 -11.353 7.974 169 H ALA 25 H ALA 25 8.339 -9.398 4.455 170 HA ALA 25 HA ALA 25 10.402 -9.770 6.482 171 HB1 ALA 25 1HB ALA 25 11.987 -9.351 4.662 172 HB2 ALA 25 2HB ALA 25 10.639 -9.022 3.572 173 HB3 ALA 25 3HB ALA 25 10.850 -10.635 4.252 174 H ASP 26 H ASP 26 8.291 -7.541 6.191 175 HA ASP 26 HA ASP 26 8.047 -5.323 6.553 176 HB2 ASP 26 1HB ASP 26 10.796 -5.725 7.716 177 HB3 ASP 26 2HB ASP 26 9.995 -4.158 7.728 178 H VAL 27 H VAL 27 7.883 -4.853 4.360 179 HA VAL 27 HA VAL 27 10.329 -4.101 2.971 180 HB VAL 27 HB VAL 27 8.685 -5.570 1.841 181 HG11 VAL 27 1HG1 VAL 27 6.631 -4.595 0.938 182 HG12 VAL 27 2HG1 VAL 27 6.945 -3.122 1.858 183 HG13 VAL 27 3HG1 VAL 27 6.633 -4.641 2.702 184 HG21 VAL 27 1HG2 VAL 27 10.234 -4.339 0.504 185 HG22 VAL 27 2HG2 VAL 27 9.212 -2.900 0.569 186 HG23 VAL 27 3HG2 VAL 27 8.663 -4.336 -0.299 187 H PHE 28 H PHE 28 10.882 -2.100 2.485 188 HA PHE 28 HA PHE 28 9.498 0.061 3.806 189 HB2 PHE 28 1HB PHE 28 11.922 -0.067 3.931 190 HB3 PHE 28 2HB PHE 28 12.044 -0.047 2.178 191 HD1 PHE 28 HD1 PHE 28 12.210 1.963 1.016 192 HD2 PHE 28 HD2 PHE 28 10.980 1.980 5.089 193 HE1 PHE 28 HE1 PHE 28 12.384 4.415 1.054 194 HE2 PHE 28 HE2 PHE 28 11.153 4.433 5.136 195 HZ PHE 28 HZ PHE 28 11.853 5.652 3.116 196 H VAL 29 H VAL 29 8.155 1.466 2.876 197 HA VAL 29 HA VAL 29 7.750 1.251 -0.022 198 HB VAL 29 HB VAL 29 5.965 2.906 1.684 199 HG11 VAL 29 1HG1 VAL 29 5.459 1.039 -0.621 200 HG12 VAL 29 2HG1 VAL 29 5.636 2.790 -0.727 201 HG13 VAL 29 3HG1 VAL 29 4.269 2.093 0.140 202 HG21 VAL 29 1HG2 VAL 29 4.631 0.959 2.309 203 HG22 VAL 29 2HG2 VAL 29 6.239 0.915 3.032 204 HG23 VAL 29 3HG2 VAL 29 5.872 -0.099 1.636 205 H HIS 30 H HIS 30 7.742 3.054 -1.350 206 HA HIS 30 HA HIS 30 8.473 5.624 -0.183 207 HB2 HIS 30 1HB HIS 30 10.541 4.338 -0.899 208 HB3 HIS 30 2HB HIS 30 9.950 4.470 -2.552 209 HD1 HIS 30 HD1 HIS 30 10.950 6.344 -3.779 210 HD2 HIS 30 HD2 HIS 30 10.737 7.111 0.300 211 HE1 HIS 30 HE1 HIS 30 12.028 8.596 -3.454 212 HE2 HIS 30 HE2 HIS 30 12.107 8.905 -0.957 213 H TYR 31 H TYR 31 7.570 7.314 -1.213 214 HA TYR 31 HA TYR 31 5.163 6.820 -2.471 215 HB2 TYR 31 1HB TYR 31 4.892 9.189 -2.649 216 HB3 TYR 31 2HB TYR 31 5.744 8.845 -1.150 217 HD1 TYR 31 HD1 TYR 31 5.858 10.541 -4.332 218 HD2 TYR 31 HD2 TYR 31 8.210 9.284 -1.017 219 HE1 TYR 31 HE1 TYR 31 7.616 12.125 -4.985 220 HE2 TYR 31 HE2 TYR 31 9.974 10.865 -1.663 221 HH TYR 31 HH TYR 31 9.485 13.327 -3.951 222 H SER 32 H SER 32 8.263 7.491 -3.995 223 HA SER 32 HA SER 32 7.170 8.193 -6.528 224 HB2 SER 32 1HB SER 32 9.535 7.745 -7.332 225 HB3 SER 32 2HB SER 32 9.386 8.940 -6.041 226 HG SER 32 HG SER 32 10.330 6.278 -5.919 227 H GLU 33 H GLU 33 7.698 5.241 -4.902 228 HA GLU 33 HA GLU 33 7.661 3.642 -7.326 229 HB2 GLU 33 1HB GLU 33 8.006 3.030 -4.407 230 HB3 GLU 33 2HB GLU 33 7.681 1.753 -5.563 231 HG2 GLU 33 1HG GLU 33 10.065 1.985 -5.058 232 HG3 GLU 33 2HG GLU 33 9.710 2.256 -6.761 233 H ILE 34 H ILE 34 5.494 4.945 -5.064 234 HA ILE 34 HA ILE 34 3.526 2.890 -5.139 235 HB ILE 34 HB ILE 34 3.308 5.777 -4.301 236 HG12 ILE 34 1HG1 ILE 34 3.592 3.224 -2.704 237 HG13 ILE 34 2HG1 ILE 34 4.833 4.451 -2.921 238 HG21 ILE 34 1HG2 ILE 34 1.127 4.915 -4.958 239 HG22 ILE 34 2HG2 ILE 34 1.211 5.139 -3.210 240 HG23 ILE 34 3HG2 ILE 34 1.348 3.521 -3.901 241 HD11 ILE 34 1HD1 ILE 34 3.458 6.058 -1.728 242 HD12 ILE 34 2HD1 ILE 34 3.770 4.623 -0.747 243 HD13 ILE 34 3HD1 ILE 34 2.201 4.839 -1.527 244 H GLN 35 H GLN 35 1.875 2.586 -6.430 245 HA GLN 35 HA GLN 35 1.502 4.452 -8.682 246 HB2 GLN 35 1HB GLN 35 1.003 1.471 -8.683 247 HB3 GLN 35 2HB GLN 35 0.981 2.550 -10.068 248 HG2 GLN 35 1HG GLN 35 3.390 1.842 -8.421 249 HG3 GLN 35 2HG GLN 35 3.000 1.201 -10.014 250 HE21 GLN 35 1HE2 GLN 35 5.303 2.743 -9.023 251 HE22 GLN 35 2HE2 GLN 35 5.418 4.116 -10.067 252 H GLY 36 H GLY 36 -0.168 5.598 -7.645 253 HA2 GLY 36 1HA GLY 36 -2.491 3.992 -6.804 254 HA3 GLY 36 2HA GLY 36 -2.083 5.571 -6.153 255 H ASN 37 H ASN 37 -4.292 6.116 -6.625 256 HA ASN 37 HA ASN 37 -5.009 6.416 -9.432 257 HB2 ASN 37 1HB ASN 37 -7.197 7.174 -8.552 258 HB3 ASN 37 2HB ASN 37 -6.738 5.598 -7.923 259 HD21 ASN 37 1HD2 ASN 37 -6.204 5.392 -5.753 260 HD22 ASN 37 2HD2 ASN 37 -6.587 6.613 -4.592 261 H GLY 38 H GLY 38 -2.820 7.942 -8.769 262 HA2 GLY 38 1HA GLY 38 -2.424 10.225 -9.500 263 HA3 GLY 38 2HA GLY 38 -3.927 10.680 -8.704 264 H PHE 39 H PHE 39 -3.319 8.952 -6.410 265 HA PHE 39 HA PHE 39 -1.527 10.763 -4.997 266 HB2 PHE 39 1HB PHE 39 -3.371 8.566 -4.047 267 HB3 PHE 39 2HB PHE 39 -2.275 9.432 -2.977 268 HD1 PHE 39 HD1 PHE 39 -5.402 9.544 -4.806 269 HD2 PHE 39 HD2 PHE 39 -2.614 11.826 -2.541 270 HE1 PHE 39 HE1 PHE 39 -7.101 11.293 -4.484 271 HE2 PHE 39 HE2 PHE 39 -4.308 13.578 -2.211 272 HZ PHE 39 HZ PHE 39 -6.556 13.313 -3.184 273 H ARG 40 H ARG 40 0.379 10.165 -4.105 274 HA ARG 40 HA ARG 40 1.385 7.485 -4.782 275 HB2 ARG 40 1HB ARG 40 2.950 9.968 -4.045 276 HB3 ARG 40 2HB ARG 40 3.623 8.437 -4.580 277 HG2 ARG 40 1HG ARG 40 1.865 10.223 -6.245 278 HG3 ARG 40 2HG ARG 40 3.625 10.161 -6.333 279 HD2 ARG 40 1HD ARG 40 3.524 7.824 -7.010 280 HD3 ARG 40 2HD ARG 40 1.765 7.847 -6.869 281 HE ARG 40 HE ARG 40 2.392 9.873 -8.618 282 HH11 ARG 40 1HH1 ARG 40 2.900 6.401 -8.514 283 HH12 ARG 40 2HH1 ARG 40 2.874 6.228 -10.244 284 HH21 ARG 40 1HH2 ARG 40 2.378 9.637 -10.879 285 HH22 ARG 40 2HH2 ARG 40 2.579 8.063 -11.584 286 H THR 41 H THR 41 -0.316 7.641 -2.676 287 HA THR 41 HA THR 41 1.424 7.449 -0.323 288 HB THR 41 HB THR 41 -0.451 8.448 1.017 289 HG1 THR 41 HG1 THR 41 -2.158 8.251 -0.444 290 HG21 THR 41 1HG2 THR 41 0.066 10.777 0.393 291 HG22 THR 41 2HG2 THR 41 0.801 10.197 -1.102 292 HG23 THR 41 3HG2 THR 41 1.513 9.771 0.454 293 H LEU 42 H LEU 42 0.414 6.277 1.474 294 HA LEU 42 HA LEU 42 -1.626 4.345 0.642 295 HB2 LEU 42 1HB LEU 42 0.980 3.786 2.047 296 HB3 LEU 42 2HB LEU 42 -0.360 2.658 2.045 297 HG LEU 42 HG LEU 42 1.120 3.616 -0.398 298 HD11 LEU 42 1HD1 LEU 42 1.149 0.932 0.961 299 HD12 LEU 42 2HD1 LEU 42 2.438 2.134 1.048 300 HD13 LEU 42 3HD1 LEU 42 2.033 1.386 -0.497 301 HD21 LEU 42 1HD2 LEU 42 -1.099 1.604 -0.069 302 HD22 LEU 42 2HD2 LEU 42 -0.147 1.818 -1.539 303 HD23 LEU 42 3HD2 LEU 42 -1.172 3.129 -0.955 304 H GLU 43 H GLU 43 -2.824 3.435 2.384 305 HA GLU 43 HA GLU 43 -2.897 5.183 4.737 306 HB2 GLU 43 1HB GLU 43 -5.033 3.427 3.515 307 HB3 GLU 43 2HB GLU 43 -5.230 4.351 4.999 308 HG2 GLU 43 1HG GLU 43 -4.768 6.420 3.698 309 HG3 GLU 43 2HG GLU 43 -4.766 5.439 2.234 310 H GLU 44 H GLU 44 -2.723 4.334 6.738 311 HA GLU 44 HA GLU 44 -1.350 1.915 7.060 312 HB2 GLU 44 1HB GLU 44 -1.232 3.846 8.601 313 HB3 GLU 44 2HB GLU 44 -2.874 3.513 9.117 314 HG2 GLU 44 1HG GLU 44 -2.170 1.356 9.990 315 HG3 GLU 44 2HG GLU 44 -0.523 1.678 9.463 316 H ASN 45 H ASN 45 -1.990 -0.103 7.410 317 HA ASN 45 HA ASN 45 -3.276 -1.934 7.807 318 HB2 ASN 45 1HB ASN 45 -5.299 0.104 8.713 319 HB3 ASN 45 2HB ASN 45 -5.668 -1.612 8.640 320 HD21 ASN 45 1HD2 ASN 45 -3.927 0.875 10.271 321 HD22 ASN 45 2HD2 ASN 45 -3.408 -0.077 11.618 322 H GLN 46 H GLN 46 -3.102 -0.454 5.291 323 HA GLN 46 HA GLN 46 -5.583 -1.348 3.990 324 HB2 GLN 46 1HB GLN 46 -4.987 1.024 3.686 325 HB3 GLN 46 2HB GLN 46 -3.445 0.542 3.001 326 HG2 GLN 46 1HG GLN 46 -4.578 -0.522 1.143 327 HG3 GLN 46 2HG GLN 46 -6.139 -0.089 1.836 328 HE21 GLN 46 1HE2 GLN 46 -3.274 1.089 0.288 329 HE22 GLN 46 2HE2 GLN 46 -3.909 2.632 -0.165 330 H LYS 47 H LYS 47 -5.497 -2.770 2.275 331 HA LYS 47 HA LYS 47 -3.155 -4.428 2.130 332 HB2 LYS 47 1HB LYS 47 -5.711 -4.518 0.521 333 HB3 LYS 47 2HB LYS 47 -4.465 -5.761 0.529 334 HG2 LYS 47 1HG LYS 47 -6.158 -4.915 2.870 335 HG3 LYS 47 2HG LYS 47 -6.327 -6.402 1.940 336 HD2 LYS 47 1HD LYS 47 -3.821 -5.660 3.434 337 HD3 LYS 47 2HD LYS 47 -5.121 -6.615 4.142 338 HE2 LYS 47 1HE LYS 47 -3.695 -7.372 1.598 339 HE3 LYS 47 2HE LYS 47 -3.205 -7.935 3.194 340 HZ1 LYS 47 1HZ LYS 47 -5.337 -8.975 3.475 341 HZ2 LYS 47 2HZ LYS 47 -4.642 -9.518 2.035 342 HZ3 LYS 47 3HZ LYS 47 -5.882 -8.372 1.992 343 H VAL 48 H VAL 48 -1.909 -4.833 0.275 344 HA VAL 48 HA VAL 48 -2.011 -2.893 -1.877 345 HB VAL 48 HB VAL 48 -0.963 -1.676 -0.017 346 HG11 VAL 48 1HG1 VAL 48 1.145 -3.820 -0.144 347 HG12 VAL 48 2HG1 VAL 48 -0.014 -3.574 1.165 348 HG13 VAL 48 3HG1 VAL 48 1.218 -2.353 0.834 349 HG21 VAL 48 1HG2 VAL 48 0.934 -2.355 -2.253 350 HG22 VAL 48 2HG2 VAL 48 1.062 -0.956 -1.186 351 HG23 VAL 48 3HG2 VAL 48 -0.315 -1.109 -2.277 352 H GLU 49 H GLU 49 -0.626 -3.381 -3.599 353 HA GLU 49 HA GLU 49 0.821 -5.938 -3.433 354 HB2 GLU 49 1HB GLU 49 -1.181 -6.128 -4.841 355 HB3 GLU 49 2HB GLU 49 -0.640 -4.761 -5.800 356 HG2 GLU 49 1HG GLU 49 1.284 -6.015 -6.555 357 HG3 GLU 49 2HG GLU 49 0.815 -7.380 -5.540 358 H PHE 50 H PHE 50 2.869 -5.970 -4.341 359 HA PHE 50 HA PHE 50 3.950 -3.601 -5.588 360 HB2 PHE 50 1HB PHE 50 5.639 -3.287 -3.725 361 HB3 PHE 50 2HB PHE 50 3.993 -2.801 -3.337 362 HD1 PHE 50 HD1 PHE 50 2.587 -4.239 -1.902 363 HD2 PHE 50 HD2 PHE 50 6.722 -5.036 -2.525 364 HE1 PHE 50 HE1 PHE 50 2.591 -5.716 0.057 365 HE2 PHE 50 HE2 PHE 50 6.730 -6.514 -0.563 366 HZ PHE 50 HZ PHE 50 4.664 -6.856 0.730 367 H GLU 51 H GLU 51 6.487 -3.858 -5.507 368 HA GLU 51 HA GLU 51 7.200 -6.698 -5.798 369 HB2 GLU 51 1HB GLU 51 6.991 -5.621 -8.017 370 HB3 GLU 51 2HB GLU 51 8.158 -4.403 -7.520 371 HG2 GLU 51 1HG GLU 51 9.225 -6.064 -8.900 372 HG3 GLU 51 2HG GLU 51 9.854 -6.146 -7.255 373 H ILE 52 H ILE 52 8.807 -7.244 -4.459 374 HA ILE 52 HA ILE 52 10.054 -5.163 -2.910 375 HB ILE 52 HB ILE 52 10.471 -8.149 -2.789 376 HG12 ILE 52 1HG1 ILE 52 8.799 -6.298 -1.084 377 HG13 ILE 52 2HG1 ILE 52 8.172 -7.446 -2.259 378 HG21 ILE 52 1HG2 ILE 52 12.382 -6.919 -1.899 379 HG22 ILE 52 2HG2 ILE 52 11.484 -7.702 -0.598 380 HG23 ILE 52 3HG2 ILE 52 11.304 -5.969 -0.876 381 HD11 ILE 52 1HD1 ILE 52 7.950 -8.284 0.003 382 HD12 ILE 52 2HD1 ILE 52 9.691 -8.129 0.244 383 HD13 ILE 52 3HD1 ILE 52 9.062 -9.285 -0.930 384 H GLY 53 H GLY 53 11.873 -4.214 -3.345 385 HA2 GLY 53 1HA GLY 53 13.876 -5.645 -4.977 386 HA3 GLY 53 2HA GLY 53 13.572 -3.919 -5.143 387 H GLU 54 H GLU 54 15.921 -3.837 -4.731 388 HA GLU 54 HA GLU 54 16.561 -4.136 -1.880 389 HB2 GLU 54 1HB GLU 54 17.897 -5.464 -3.544 390 HB3 GLU 54 2HB GLU 54 18.486 -3.944 -4.197 391 HG2 GLU 54 1HG GLU 54 20.151 -4.798 -2.742 392 HG3 GLU 54 2HG GLU 54 19.404 -3.416 -1.942 393 H GLY 55 H GLY 55 16.722 -2.336 -0.757 394 HA2 GLY 55 1HA GLY 55 17.580 0.118 -2.153 395 HA3 GLY 55 2HA GLY 55 16.254 0.126 -0.996 396 H ALA 56 H ALA 56 17.959 1.851 -0.268 397 HA ALA 56 HA ALA 56 20.308 0.954 1.029 398 HB1 ALA 56 1HB ALA 56 20.408 3.182 1.990 399 HB2 ALA 56 2HB ALA 56 18.740 3.482 1.502 400 HB3 ALA 56 3HB ALA 56 19.990 3.263 0.279 401 H LYS 57 H LYS 57 16.987 1.241 2.030 402 HA LYS 57 HA LYS 57 17.708 0.686 4.812 403 HB2 LYS 57 1HB LYS 57 15.055 1.424 3.574 404 HB3 LYS 57 2HB LYS 57 15.332 1.167 5.291 405 HG2 LYS 57 1HG LYS 57 16.868 3.045 5.348 406 HG3 LYS 57 2HG LYS 57 16.657 3.284 3.614 407 HD2 LYS 57 1HD LYS 57 14.276 3.736 3.972 408 HD3 LYS 57 2HD LYS 57 14.497 3.505 5.707 409 HE2 LYS 57 1HE LYS 57 16.039 5.393 5.773 410 HE3 LYS 57 2HE LYS 57 15.864 5.611 4.033 411 HZ1 LYS 57 1HZ LYS 57 13.632 5.823 5.980 412 HZ2 LYS 57 2HZ LYS 57 13.572 6.175 4.325 413 HZ3 LYS 57 3HZ LYS 57 14.490 7.140 5.363 414 H GLY 58 H GLY 58 17.675 -1.248 2.428 415 HA2 GLY 58 1HA GLY 58 17.584 -3.622 2.799 416 HA3 GLY 58 2HA GLY 58 16.223 -3.357 3.881 417 HA PRO 59 HA PRO 59 14.176 -4.746 0.076 418 HB2 PRO 59 1HB PRO 59 11.900 -5.211 1.826 419 HB3 PRO 59 2HB PRO 59 12.814 -6.370 0.866 420 HG2 PRO 59 1HG PRO 59 12.891 -6.282 3.579 421 HG3 PRO 59 2HG PRO 59 14.228 -6.869 2.581 422 HD2 PRO 59 1HD PRO 59 13.906 -4.251 3.967 423 HD3 PRO 59 2HD PRO 59 15.369 -5.223 3.710 424 H GLN 60 H GLN 60 13.264 -3.282 -1.206 425 HA GLN 60 HA GLN 60 11.531 -1.264 0.053 426 HB2 GLN 60 1HB GLN 60 12.122 0.242 -1.804 427 HB3 GLN 60 2HB GLN 60 13.527 -0.238 -0.863 428 HG2 GLN 60 1HG GLN 60 14.227 -1.768 -2.554 429 HG3 GLN 60 2HG GLN 60 12.730 -1.534 -3.455 430 HE21 GLN 60 1HE2 GLN 60 14.376 1.117 -1.929 431 HE22 GLN 60 2HE2 GLN 60 14.936 1.866 -3.381 432 H ALA 61 H ALA 61 9.561 -0.884 -0.750 433 HA ALA 61 HA ALA 61 8.479 -2.864 -2.559 434 HB1 ALA 61 1HB ALA 61 6.318 -1.843 -2.037 435 HB2 ALA 61 2HB ALA 61 7.136 -0.553 -1.155 436 HB3 ALA 61 3HB ALA 61 7.218 -2.215 -0.565 437 H GLN 62 H GLN 62 8.788 -2.580 -4.642 438 HA GLN 62 HA GLN 62 8.643 0.121 -5.788 439 HB2 GLN 62 1HB GLN 62 9.434 -2.445 -7.164 440 HB3 GLN 62 2HB GLN 62 9.681 -0.805 -7.743 441 HG2 GLN 62 1HG GLN 62 11.298 -0.391 -6.008 442 HG3 GLN 62 2HG GLN 62 10.989 -1.977 -5.304 443 HE21 GLN 62 1HE2 GLN 62 11.662 -3.822 -6.416 444 HE22 GLN 62 2HE2 GLN 62 12.911 -3.755 -7.605 445 H GLN 63 H GLN 63 7.237 0.497 -7.576 446 HA GLN 63 HA GLN 63 5.184 0.431 -8.574 447 HB2 GLN 63 1HB GLN 63 5.868 -2.511 -8.642 448 HB3 GLN 63 2HB GLN 63 4.561 -1.773 -9.552 449 HG2 GLN 63 1HG GLN 63 7.443 -0.989 -9.838 450 HG3 GLN 63 2HG GLN 63 6.649 -2.202 -10.843 451 HE21 GLN 63 1HE2 GLN 63 7.037 1.151 -10.181 452 HE22 GLN 63 2HE2 GLN 63 6.109 1.739 -11.517 453 H VAL 64 H VAL 64 4.618 0.922 -6.178 454 HA VAL 64 HA VAL 64 3.271 -1.251 -4.800 455 HB VAL 64 HB VAL 64 3.350 1.597 -3.862 456 HG11 VAL 64 1HG1 VAL 64 3.273 -1.053 -2.450 457 HG12 VAL 64 2HG1 VAL 64 1.970 0.131 -2.578 458 HG13 VAL 64 3HG1 VAL 64 3.422 0.511 -1.649 459 HG21 VAL 64 1HG2 VAL 64 5.555 -0.429 -3.545 460 HG22 VAL 64 2HG2 VAL 64 5.483 1.151 -2.762 461 HG23 VAL 64 3HG2 VAL 64 5.630 1.040 -4.517 462 H HIS 65 H HIS 65 1.348 -1.714 -5.672 463 HA HIS 65 HA HIS 65 -0.494 0.471 -6.373 464 HB2 HIS 65 1HB HIS 65 -0.767 -2.495 -6.916 465 HB3 HIS 65 2HB HIS 65 -1.832 -1.231 -7.507 466 HD1 HIS 65 HD1 HIS 65 -1.286 -0.295 -9.759 467 HD2 HIS 65 HD2 HIS 65 1.893 -2.370 -8.085 468 HE1 HIS 65 HE1 HIS 65 0.446 -0.456 -11.573 469 HE2 HIS 65 HE2 HIS 65 2.237 -1.938 -10.610 470 H ALA 66 H ALA 66 -2.092 0.958 -5.005 471 HA ALA 66 HA ALA 66 -2.402 -0.493 -2.566 472 HB1 ALA 66 1HB ALA 66 -4.096 1.731 -3.699 473 HB2 ALA 66 2HB ALA 66 -2.674 1.942 -2.678 474 HB3 ALA 66 3HB ALA 66 -4.114 1.152 -2.033 475 H LEU 67 H LEU 67 -3.612 -2.195 -2.224 476 HA LEU 67 HA LEU 67 -5.483 -3.090 -4.259 477 HB2 LEU 67 1HB LEU 67 -4.526 -4.374 -1.700 478 HB3 LEU 67 2HB LEU 67 -5.652 -5.121 -2.812 479 HG LEU 67 HG LEU 67 -2.760 -4.456 -3.338 480 HD11 LEU 67 1HD1 LEU 67 -2.527 -6.878 -3.552 481 HD12 LEU 67 2HD1 LEU 67 -4.236 -7.080 -3.173 482 HD13 LEU 67 3HD1 LEU 67 -3.136 -6.431 -1.958 483 HD21 LEU 67 1HD2 LEU 67 -3.122 -5.550 -5.528 484 HD22 LEU 67 2HD2 LEU 67 -4.009 -4.036 -5.361 485 HD23 LEU 67 3HD2 LEU 67 -4.853 -5.576 -5.199 486 H GLY 68 H GLY 68 -5.450 -1.769 -1.048 487 HA2 GLY 68 1HA GLY 68 -7.246 -0.634 -0.049 488 HA3 GLY 68 2HA GLY 68 -8.344 -1.415 -1.179 489 H GLY 69 H GLY 69 -9.158 -3.442 -0.726 490 HA2 GLY 69 1HA GLY 69 -9.154 -5.460 0.630 491 HA3 GLY 69 2HA GLY 69 -8.556 -4.486 1.969 492 H GLU 70 H GLU 70 -9.969 -3.336 3.214 493 HA GLU 70 HA GLU 70 -12.717 -4.069 3.157 494 HB2 GLU 70 1HB GLU 70 -11.378 -1.811 4.658 495 HB3 GLU 70 2HB GLU 70 -12.977 -2.454 4.982 496 HG2 GLU 70 1HG GLU 70 -11.939 -4.632 5.535 497 HG3 GLU 70 2HG GLU 70 -10.355 -3.884 5.323 498 H ASN 71 H ASN 71 -13.815 -3.450 1.385 499 HA ASN 71 HA ASN 71 -13.583 -0.642 0.535 500 HB2 ASN 71 1HB ASN 71 -14.279 -1.379 -1.687 501 HB3 ASN 71 2HB ASN 71 -12.871 -2.290 -1.155 502 HD21 ASN 71 1HD2 ASN 71 -13.102 -4.471 -0.612 503 HD22 ASN 71 2HD2 ASN 71 -14.487 -5.388 -1.101 504 H LEU 72 H LEU 72 -15.371 -1.998 2.595 505 HA LEU 72 HA LEU 72 -17.987 -1.405 1.422 506 HB2 LEU 72 1HB LEU 72 -17.237 -2.874 3.949 507 HB3 LEU 72 2HB LEU 72 -18.885 -2.467 3.523 508 HG LEU 72 HG LEU 72 -18.613 -4.725 2.926 509 HD11 LEU 72 1HD1 LEU 72 -18.912 -4.758 0.533 510 HD12 LEU 72 2HD1 LEU 72 -18.195 -3.153 0.395 511 HD13 LEU 72 3HD1 LEU 72 -19.735 -3.362 1.228 512 HD21 LEU 72 1HD2 LEU 72 -16.057 -3.969 1.519 513 HD22 LEU 72 2HD2 LEU 72 -16.790 -5.573 1.538 514 HD23 LEU 72 3HD2 LEU 72 -16.189 -4.861 3.035 515 H TYR 73 H TYR 73 -16.755 0.835 1.663 516 HA TYR 73 HA TYR 73 -17.509 2.042 4.229 517 HB2 TYR 73 1HB TYR 73 -15.615 2.884 2.046 518 HB3 TYR 73 2HB TYR 73 -16.208 4.044 3.229 519 HD1 TYR 73 HD1 TYR 73 -14.989 4.365 5.158 520 HD2 TYR 73 HD2 TYR 73 -14.576 0.678 3.081 521 HE1 TYR 73 HE1 TYR 73 -13.222 3.690 6.725 522 HE2 TYR 73 HE2 TYR 73 -12.808 -0.009 4.645 523 HH TYR 73 HH TYR 73 -12.180 1.652 7.557 524 H PHE 74 H PHE 74 -18.789 3.893 4.295 525 HA PHE 74 HA PHE 74 -20.487 5.281 3.754 526 HB2 PHE 74 1HB PHE 74 -19.403 4.989 0.945 527 HB3 PHE 74 2HB PHE 74 -20.615 6.167 1.438 528 HD1 PHE 74 HD1 PHE 74 -19.974 7.885 3.181 529 HD2 PHE 74 HD2 PHE 74 -17.124 5.433 1.190 530 HE1 PHE 74 HE1 PHE 74 -18.189 9.460 3.804 531 HE2 PHE 74 HE2 PHE 74 -15.335 7.005 1.808 532 HZ PHE 74 HZ PHE 74 -15.867 9.019 3.118 533 H GLN 75 H GLN 75 -20.869 2.381 3.772 534 HA GLN 75 HA GLN 75 -23.336 2.315 2.167 535 HB2 GLN 75 1HB GLN 75 -23.108 -0.205 2.257 536 HB3 GLN 75 2HB GLN 75 -21.941 0.636 1.252 537 HG2 GLN 75 1HG GLN 75 -20.693 -0.979 2.357 538 HG3 GLN 75 2HG GLN 75 -20.371 0.499 3.255 539 HE21 GLN 75 1HE2 GLN 75 -19.767 -0.608 5.093 540 HE22 GLN 75 2HE2 GLN 75 -20.908 -1.436 6.100 541 H GLY 76 H GLY 76 -22.141 2.611 5.204 542 HA2 GLY 76 1HA GLY 76 -24.680 1.685 6.358 543 HA3 GLY 76 2HA GLY 76 -23.164 1.192 7.096 544 H HIS 77 H HIS 77 -23.426 2.190 9.018 545 HA HIS 77 HA HIS 77 -23.188 3.817 10.569 546 HB2 HIS 77 1HB HIS 77 -22.614 5.586 8.191 547 HB3 HIS 77 2HB HIS 77 -22.554 6.150 9.856 548 HD1 HIS 77 HD1 HIS 77 -20.723 4.875 11.403 549 HD2 HIS 77 HD2 HIS 77 -20.292 4.500 7.283 550 HE1 HIS 77 HE1 HIS 77 -18.363 4.089 11.037 551 HE2 HIS 77 HE2 HIS 77 -18.112 3.895 8.539 552 H HIS 78 H HIS 78 -24.939 5.220 7.799 553 HA HIS 78 HA HIS 78 -27.014 6.095 9.700 554 HB2 HIS 78 1HB HIS 78 -25.644 7.976 8.832 555 HB3 HIS 78 2HB HIS 78 -26.099 7.527 7.194 556 HD1 HIS 78 HD1 HIS 78 -28.179 8.565 6.293 557 HD2 HIS 78 HD2 HIS 78 -27.911 8.890 10.427 558 HE1 HIS 78 HE1 HIS 78 -30.088 10.049 6.980 559 HE2 HIS 78 HE2 HIS 78 -29.754 10.415 9.449 560 H HIS 79 H HIS 79 -28.596 4.653 9.399 561 HA HIS 79 HA HIS 79 -30.338 3.562 8.464 562 HB2 HIS 79 1HB HIS 79 -30.024 5.895 6.646 563 HB3 HIS 79 2HB HIS 79 -31.080 4.585 6.131 564 HD1 HIS 79 HD1 HIS 79 -33.289 4.267 7.400 565 HD2 HIS 79 HD2 HIS 79 -30.952 7.385 8.847 566 HE1 HIS 79 HE1 HIS 79 -34.786 5.578 8.931 567 HE2 HIS 79 HE2 HIS 79 -33.305 7.353 9.923 568 H HIS 80 H HIS 80 -28.759 1.774 8.223 569 HA HIS 80 HA HIS 80 -28.149 1.091 5.458 570 HB2 HIS 80 1HB HIS 80 -26.599 0.456 7.321 571 HB3 HIS 80 2HB HIS 80 -27.854 -0.595 7.964 572 HD1 HIS 80 HD1 HIS 80 -25.561 -0.259 4.969 573 HD2 HIS 80 HD2 HIS 80 -27.977 -3.092 6.828 574 HE1 HIS 80 HE1 HIS 80 -25.050 -2.441 3.833 575 HE2 HIS 80 HE2 HIS 80 -26.432 -4.157 5.052 576 H HIS 81 H HIS 81 -30.603 1.548 5.299 577 HA HIS 81 HA HIS 81 -32.048 -0.830 4.837 578 HB2 HIS 81 1HB HIS 81 -32.216 -0.963 7.267 579 HB3 HIS 81 2HB HIS 81 -32.750 0.708 7.354 580 HD1 HIS 81 HD1 HIS 81 -35.213 1.103 7.306 581 HD2 HIS 81 HD2 HIS 81 -34.203 -2.731 6.050 582 HE1 HIS 81 HE1 HIS 81 -37.392 -0.127 7.065 583 HE2 HIS 81 HE2 HIS 81 -36.748 -2.481 6.444 584 H HIS 82 H HIS 82 -33.678 -0.341 3.428 585 HA HIS 82 HA HIS 82 -34.202 2.467 2.886 586 HB2 HIS 82 1HB HIS 82 -35.012 -0.082 1.489 587 HB3 HIS 82 2HB HIS 82 -35.681 1.481 1.040 588 HD1 HIS 82 HD1 HIS 82 -33.014 -0.753 0.200 589 HD2 HIS 82 HD2 HIS 82 -33.478 3.378 0.308 590 HE1 HIS 82 HE1 HIS 82 -31.183 0.172 -1.253 591 HE2 HIS 82 HE2 HIS 82 -31.416 2.676 -1.088 Start of MODEL 2 1 H2 MET 1 2H MET 1 6.010 -11.426 -7.449 2 H MET 1 1H MET 1 6.379 -10.094 -8.425 3 H3 MET 1 3H MET 1 6.809 -10.093 -6.789 4 HA MET 1 HA MET 1 4.894 -8.705 -7.143 5 HB2 MET 1 1HB MET 1 4.041 -9.897 -9.133 6 HB3 MET 1 2HB MET 1 3.595 -11.261 -8.117 7 HG2 MET 1 1HG MET 1 2.026 -9.827 -6.896 8 HG3 MET 1 2HG MET 1 2.456 -8.478 -7.947 9 HE1 MET 1 1HE MET 1 1.158 -9.719 -11.425 10 HE2 MET 1 2HE MET 1 2.771 -9.970 -10.763 11 HE3 MET 1 3HE MET 1 1.961 -8.419 -10.547 12 H ALA 2 H ALA 2 4.655 -8.362 -5.043 13 HA ALA 2 HA ALA 2 3.641 -10.575 -3.386 14 HB1 ALA 2 1HB ALA 2 5.635 -8.465 -2.559 15 HB2 ALA 2 2HB ALA 2 5.992 -10.168 -2.854 16 HB3 ALA 2 3HB ALA 2 4.948 -9.705 -1.509 17 H GLN 3 H GLN 3 1.994 -10.085 -2.030 18 HA GLN 3 HA GLN 3 1.023 -7.314 -2.102 19 HB2 GLN 3 1HB GLN 3 -0.489 -9.869 -1.535 20 HB3 GLN 3 2HB GLN 3 -1.184 -8.253 -1.509 21 HG2 GLN 3 1HG GLN 3 -0.691 -7.988 -3.869 22 HG3 GLN 3 2HG GLN 3 0.045 -9.587 -3.907 23 HE21 GLN 3 1HE2 GLN 3 -2.894 -7.793 -3.809 24 HE22 GLN 3 2HE2 GLN 3 -3.959 -9.116 -4.100 25 H GLY 4 H GLY 4 -0.229 -6.760 -0.025 26 HA2 GLY 4 1HA GLY 4 0.244 -8.104 2.369 27 HA3 GLY 4 2HA GLY 4 1.569 -6.976 2.134 28 H THR 5 H THR 5 0.805 -6.025 4.087 29 HA THR 5 HA THR 5 -1.357 -4.095 3.575 30 HB THR 5 HB THR 5 -0.776 -5.320 6.275 31 HG1 THR 5 HG1 THR 5 -3.073 -6.205 5.568 32 HG21 THR 5 1HG2 THR 5 -1.847 -3.104 6.267 33 HG22 THR 5 2HG2 THR 5 -2.926 -4.355 6.888 34 HG23 THR 5 3HG2 THR 5 -3.136 -3.745 5.245 35 H VAL 6 H VAL 6 -0.514 -2.104 3.592 36 HA VAL 6 HA VAL 6 2.050 -1.507 4.579 37 HB VAL 6 HB VAL 6 1.356 -0.013 2.949 38 HG11 VAL 6 1HG1 VAL 6 -1.208 0.331 4.475 39 HG12 VAL 6 2HG1 VAL 6 -0.990 -0.510 2.940 40 HG13 VAL 6 3HG1 VAL 6 -0.765 1.235 3.030 41 HG21 VAL 6 1HG2 VAL 6 1.254 2.191 3.994 42 HG22 VAL 6 2HG2 VAL 6 2.439 1.161 4.801 43 HG23 VAL 6 3HG2 VAL 6 0.861 1.444 5.543 44 H LYS 7 H LYS 7 2.658 -1.556 6.591 45 HA LYS 7 HA LYS 7 0.753 -1.631 8.710 46 HB2 LYS 7 1HB LYS 7 2.712 -1.921 10.174 47 HB3 LYS 7 2HB LYS 7 2.696 -3.046 8.828 48 HG2 LYS 7 1HG LYS 7 4.428 -1.894 7.720 49 HG3 LYS 7 2HG LYS 7 4.286 -0.505 8.799 50 HD2 LYS 7 1HD LYS 7 6.233 -1.864 9.367 51 HD3 LYS 7 2HD LYS 7 5.047 -1.874 10.672 52 HE2 LYS 7 1HE LYS 7 4.192 -4.044 9.718 53 HE3 LYS 7 2HE LYS 7 5.603 -4.045 8.662 54 HZ1 LYS 7 1HZ LYS 7 7.005 -3.981 10.654 55 HZ2 LYS 7 2HZ LYS 7 6.030 -5.359 10.614 56 HZ3 LYS 7 3HZ LYS 7 5.627 -4.067 11.631 57 H TRP 8 H TRP 8 2.932 0.723 7.386 58 HA TRP 8 HA TRP 8 1.353 2.820 8.415 59 HB2 TRP 8 1HB TRP 8 2.904 3.942 9.868 60 HB3 TRP 8 2HB TRP 8 2.685 2.307 10.467 61 HD1 TRP 8 HD1 TRP 8 4.787 0.671 10.358 62 HE1 TRP 8 HE1 TRP 8 7.306 1.127 10.096 63 HE3 TRP 8 HE3 TRP 8 4.562 5.490 8.686 64 HZ2 TRP 8 HZ2 TRP 8 8.974 3.261 9.291 65 HZ3 TRP 8 HZ3 TRP 8 6.660 6.668 8.196 66 HH2 TRP 8 HH2 TRP 8 8.817 5.574 8.493 67 H PHE 9 H PHE 9 1.917 4.834 7.541 68 HA PHE 9 HA PHE 9 4.199 5.014 5.771 69 HB2 PHE 9 1HB PHE 9 2.377 3.937 4.415 70 HB3 PHE 9 2HB PHE 9 1.398 5.373 4.680 71 HD1 PHE 9 HD1 PHE 9 4.197 3.934 2.885 72 HD2 PHE 9 HD2 PHE 9 2.000 7.498 3.627 73 HE1 PHE 9 HE1 PHE 9 5.233 4.977 0.916 74 HE2 PHE 9 HE2 PHE 9 3.029 8.549 1.658 75 HZ PHE 9 HZ PHE 9 4.650 7.290 0.299 76 H ASN 10 H ASN 10 5.021 6.992 6.048 77 HA ASN 10 HA ASN 10 3.193 9.061 7.032 78 HB2 ASN 10 1HB ASN 10 5.124 10.222 7.952 79 HB3 ASN 10 2HB ASN 10 5.049 8.575 8.552 80 HD21 ASN 10 1HD2 ASN 10 7.269 10.379 8.494 81 HD22 ASN 10 2HD2 ASN 10 8.508 9.615 7.564 82 H ALA 11 H ALA 11 2.378 10.124 5.422 83 HA ALA 11 HA ALA 11 3.538 10.365 2.867 84 HB1 ALA 11 1HB ALA 11 1.129 10.457 3.251 85 HB2 ALA 11 2HB ALA 11 1.693 11.888 2.386 86 HB3 ALA 11 3HB ALA 11 1.321 11.987 4.107 87 H GLU 12 H GLU 12 3.853 12.215 5.738 88 HA GLU 12 HA GLU 12 4.630 14.707 4.816 89 HB2 GLU 12 1HB GLU 12 4.287 14.250 7.169 90 HB3 GLU 12 2HB GLU 12 5.623 13.107 7.176 91 HG2 GLU 12 1HG GLU 12 7.201 14.882 6.801 92 HG3 GLU 12 2HG GLU 12 5.893 16.053 6.646 93 H LYS 13 H LYS 13 6.513 11.757 5.208 94 HA LYS 13 HA LYS 13 8.830 13.074 3.995 95 HB2 LYS 13 1HB LYS 13 8.614 10.447 5.456 96 HB3 LYS 13 2HB LYS 13 10.102 11.140 4.827 97 HG2 LYS 13 1HG LYS 13 8.359 12.381 6.937 98 HG3 LYS 13 2HG LYS 13 9.850 11.492 7.235 99 HD2 LYS 13 1HD LYS 13 11.076 13.140 5.888 100 HD3 LYS 13 2HD LYS 13 9.579 14.037 5.651 101 HE2 LYS 13 1HE LYS 13 9.408 14.422 8.045 102 HE3 LYS 13 2HE LYS 13 10.874 13.479 8.313 103 HZ1 LYS 13 1HZ LYS 13 11.328 15.853 8.326 104 HZ2 LYS 13 2HZ LYS 13 10.713 16.007 6.760 105 HZ3 LYS 13 3HZ LYS 13 12.118 15.105 7.033 106 H GLY 14 H GLY 14 6.462 10.602 3.518 107 HA2 GLY 14 1HA GLY 14 5.750 9.913 1.392 108 HA3 GLY 14 2HA GLY 14 7.274 10.469 0.723 109 H PHE 15 H PHE 15 7.160 8.387 3.538 110 HA PHE 15 HA PHE 15 7.616 6.053 1.860 111 HB2 PHE 15 1HB PHE 15 9.661 5.401 2.903 112 HB3 PHE 15 2HB PHE 15 9.858 7.061 2.371 113 HD1 PHE 15 HD1 PHE 15 9.762 4.803 5.200 114 HD2 PHE 15 HD2 PHE 15 9.925 8.889 4.029 115 HE1 PHE 15 HE1 PHE 15 10.529 5.412 7.453 116 HE2 PHE 15 HE2 PHE 15 10.683 9.506 6.286 117 HZ PHE 15 HZ PHE 15 10.987 7.766 8.000 118 H GLY 16 H GLY 16 8.025 4.098 3.510 119 HA2 GLY 16 1HA GLY 16 6.870 4.122 6.043 120 HA3 GLY 16 2HA GLY 16 5.583 3.788 4.890 121 H PHE 17 H PHE 17 5.501 1.726 6.104 122 HA PHE 17 HA PHE 17 7.262 -0.199 4.771 123 HB2 PHE 17 1HB PHE 17 6.823 0.021 7.734 124 HB3 PHE 17 2HB PHE 17 7.211 -1.528 6.991 125 HD1 PHE 17 HD1 PHE 17 9.381 -1.935 6.019 126 HD2 PHE 17 HD2 PHE 17 8.458 1.797 7.834 127 HE1 PHE 17 HE1 PHE 17 11.773 -1.368 6.059 128 HE2 PHE 17 HE2 PHE 17 10.848 2.372 7.883 129 HZ PHE 17 HZ PHE 17 12.511 0.788 6.993 130 H ILE 18 H ILE 18 6.374 -2.127 4.306 131 HA ILE 18 HA ILE 18 3.508 -2.434 4.883 132 HB ILE 18 HB ILE 18 5.121 -3.445 2.539 133 HG12 ILE 18 1HG1 ILE 18 2.741 -1.604 2.510 134 HG13 ILE 18 2HG1 ILE 18 4.396 -1.016 2.595 135 HG21 ILE 18 1HG2 ILE 18 3.005 -4.332 1.663 136 HG22 ILE 18 2HG2 ILE 18 2.216 -3.906 3.185 137 HG23 ILE 18 3HG2 ILE 18 3.495 -5.122 3.163 138 HD11 ILE 18 1HD1 ILE 18 3.527 -0.968 0.320 139 HD12 ILE 18 2HD1 ILE 18 3.250 -2.710 0.388 140 HD13 ILE 18 3HD1 ILE 18 4.894 -2.073 0.467 141 H ALA 19 H ALA 19 2.770 -4.342 5.684 142 HA ALA 19 HA ALA 19 4.763 -6.375 6.393 143 HB1 ALA 19 1HB ALA 19 1.883 -6.080 7.260 144 HB2 ALA 19 2HB ALA 19 3.296 -5.596 8.199 145 HB3 ALA 19 3HB ALA 19 3.017 -7.301 7.840 146 HA PRO 20 HA PRO 20 3.203 -7.916 2.388 147 HB2 PRO 20 1HB PRO 20 5.465 -9.770 2.894 148 HB3 PRO 20 2HB PRO 20 5.068 -8.844 1.443 149 HG2 PRO 20 1HG PRO 20 7.064 -8.078 3.001 150 HG3 PRO 20 2HG PRO 20 5.962 -6.878 2.300 151 HD2 PRO 20 1HD PRO 20 6.039 -7.986 5.075 152 HD3 PRO 20 2HD PRO 20 5.774 -6.316 4.538 153 H ASP 21 H ASP 21 2.089 -9.673 1.759 154 HA ASP 21 HA ASP 21 1.274 -11.675 3.636 155 HB2 ASP 21 1HB ASP 21 -0.280 -11.012 1.920 156 HB3 ASP 21 2HB ASP 21 0.894 -11.342 0.652 157 H ASP 22 H ASP 22 3.933 -11.135 1.746 158 HA ASP 22 HA ASP 22 4.677 -13.826 1.114 159 HB2 ASP 22 1HB ASP 22 5.308 -11.741 -0.191 160 HB3 ASP 22 2HB ASP 22 6.448 -11.383 1.100 161 H GLY 23 H GLY 23 4.177 -13.084 3.958 162 HA2 GLY 23 1HA GLY 23 5.120 -14.307 5.783 163 HA3 GLY 23 2HA GLY 23 6.694 -14.155 5.026 164 H SER 24 H SER 24 4.729 -11.384 5.070 165 HA SER 24 HA SER 24 4.864 -9.373 6.064 166 HB2 SER 24 1HB SER 24 4.775 -9.470 8.593 167 HB3 SER 24 2HB SER 24 3.535 -10.370 7.723 168 HG SER 24 HG SER 24 5.844 -11.779 8.330 169 H ALA 25 H ALA 25 7.425 -10.266 5.146 170 HA ALA 25 HA ALA 25 9.330 -9.227 7.037 171 HB1 ALA 25 1HB ALA 25 10.925 -9.370 5.186 172 HB2 ALA 25 2HB ALA 25 9.608 -9.739 4.074 173 HB3 ALA 25 3HB ALA 25 10.023 -10.875 5.358 174 H ASP 26 H ASP 26 8.952 -7.173 7.597 175 HA ASP 26 HA ASP 26 7.453 -5.337 6.224 176 HB2 ASP 26 1HB ASP 26 8.397 -3.612 7.710 177 HB3 ASP 26 2HB ASP 26 7.914 -5.066 8.575 178 H VAL 27 H VAL 27 7.698 -4.522 4.374 179 HA VAL 27 HA VAL 27 10.364 -4.115 3.253 180 HB VAL 27 HB VAL 27 8.844 -5.539 1.979 181 HG11 VAL 27 1HG1 VAL 27 6.849 -4.587 0.900 182 HG12 VAL 27 2HG1 VAL 27 7.068 -3.117 1.853 183 HG13 VAL 27 3HG1 VAL 27 6.720 -4.650 2.659 184 HG21 VAL 27 1HG2 VAL 27 10.475 -4.256 0.745 185 HG22 VAL 27 2HG2 VAL 27 9.358 -2.895 0.643 186 HG23 VAL 27 3HG2 VAL 27 8.984 -4.408 -0.185 187 H PHE 28 H PHE 28 11.047 -2.181 2.481 188 HA PHE 28 HA PHE 28 9.863 0.148 3.678 189 HB2 PHE 28 1HB PHE 28 12.296 -0.191 3.610 190 HB3 PHE 28 2HB PHE 28 12.254 -0.171 1.853 191 HD1 PHE 28 HD1 PHE 28 12.178 1.873 0.642 192 HD2 PHE 28 HD2 PHE 28 11.870 1.870 4.886 193 HE1 PHE 28 HE1 PHE 28 12.537 4.307 0.666 194 HE2 PHE 28 HE2 PHE 28 12.225 4.304 4.917 195 HZ PHE 28 HZ PHE 28 12.558 5.523 2.807 196 H VAL 29 H VAL 29 8.432 1.452 2.756 197 HA VAL 29 HA VAL 29 7.968 1.202 -0.133 198 HB VAL 29 HB VAL 29 6.219 2.826 1.668 199 HG11 VAL 29 1HG1 VAL 29 4.492 2.140 0.089 200 HG12 VAL 29 2HG1 VAL 29 5.666 1.142 -0.767 201 HG13 VAL 29 3HG1 VAL 29 5.853 2.896 -0.742 202 HG21 VAL 29 1HG2 VAL 29 6.063 -0.167 1.389 203 HG22 VAL 29 2HG2 VAL 29 4.874 0.866 2.187 204 HG23 VAL 29 3HG2 VAL 29 6.502 0.721 2.849 205 H HIS 30 H HIS 30 7.960 2.984 -1.474 206 HA HIS 30 HA HIS 30 8.734 5.567 -0.341 207 HB2 HIS 30 1HB HIS 30 10.774 4.331 -1.131 208 HB3 HIS 30 2HB HIS 30 10.079 4.310 -2.747 209 HD1 HIS 30 HD1 HIS 30 11.292 5.937 -4.122 210 HD2 HIS 30 HD2 HIS 30 10.660 7.347 -0.259 211 HE1 HIS 30 HE1 HIS 30 12.266 8.262 -4.073 212 HE2 HIS 30 HE2 HIS 30 12.014 9.027 -1.687 213 H TYR 31 H TYR 31 7.636 7.219 -1.242 214 HA TYR 31 HA TYR 31 5.284 6.635 -2.601 215 HB2 TYR 31 1HB TYR 31 4.828 8.966 -2.606 216 HB3 TYR 31 2HB TYR 31 5.715 8.620 -1.130 217 HD1 TYR 31 HD1 TYR 31 8.130 9.265 -0.976 218 HD2 TYR 31 HD2 TYR 31 5.660 10.483 -4.216 219 HE1 TYR 31 HE1 TYR 31 9.742 11.030 -1.533 220 HE2 TYR 31 HE2 TYR 31 7.268 12.249 -4.787 221 HH TYR 31 HH TYR 31 10.398 12.364 -3.519 222 H SER 32 H SER 32 8.397 7.385 -3.918 223 HA SER 32 HA SER 32 7.510 8.237 -6.475 224 HB2 SER 32 1HB SER 32 10.151 6.952 -5.753 225 HB3 SER 32 2HB SER 32 9.818 7.983 -7.147 226 HG SER 32 HG SER 32 9.755 9.723 -5.882 227 H GLU 33 H GLU 33 7.796 5.167 -4.959 228 HA GLU 33 HA GLU 33 7.665 3.742 -7.510 229 HB2 GLU 33 1HB GLU 33 8.203 2.896 -4.677 230 HB3 GLU 33 2HB GLU 33 7.776 1.719 -5.907 231 HG2 GLU 33 1HG GLU 33 10.192 1.879 -5.566 232 HG3 GLU 33 2HG GLU 33 9.720 2.305 -7.208 233 H ILE 34 H ILE 34 5.619 5.050 -5.225 234 HA ILE 34 HA ILE 34 3.635 2.998 -5.166 235 HB ILE 34 HB ILE 34 3.504 5.895 -4.348 236 HG12 ILE 34 1HG1 ILE 34 3.690 3.322 -2.774 237 HG13 ILE 34 2HG1 ILE 34 4.959 4.525 -2.954 238 HG21 ILE 34 1HG2 ILE 34 1.280 5.164 -4.990 239 HG22 ILE 34 2HG2 ILE 34 1.385 5.334 -3.236 240 HG23 ILE 34 3HG2 ILE 34 1.436 3.731 -3.972 241 HD11 ILE 34 1HD1 ILE 34 3.584 6.146 -1.756 242 HD12 ILE 34 2HD1 ILE 34 3.880 4.697 -0.791 243 HD13 ILE 34 3HD1 ILE 34 2.318 4.933 -1.578 244 H GLN 35 H GLN 35 1.961 2.672 -6.388 245 HA GLN 35 HA GLN 35 1.531 4.448 -8.689 246 HB2 GLN 35 1HB GLN 35 0.821 1.526 -8.378 247 HB3 GLN 35 2HB GLN 35 0.666 2.489 -9.841 248 HG2 GLN 35 1HG GLN 35 3.250 1.838 -8.456 249 HG3 GLN 35 2HG GLN 35 2.620 1.014 -9.881 250 HE21 GLN 35 1HE2 GLN 35 5.085 2.561 -9.452 251 HE22 GLN 35 2HE2 GLN 35 5.077 3.780 -10.674 252 H GLY 36 H GLY 36 0.117 5.827 -7.568 253 HA2 GLY 36 1HA GLY 36 -2.256 4.594 -6.355 254 HA3 GLY 36 2HA GLY 36 -1.682 6.227 -6.053 255 H ASN 37 H ASN 37 -3.942 6.759 -6.424 256 HA ASN 37 HA ASN 37 -4.509 7.060 -9.301 257 HB2 ASN 37 1HB ASN 37 -6.479 6.713 -7.027 258 HB3 ASN 37 2HB ASN 37 -6.927 7.109 -8.680 259 HD21 ASN 37 1HD2 ASN 37 -6.803 5.539 -10.264 260 HD22 ASN 37 2HD2 ASN 37 -6.595 3.862 -9.895 261 H GLY 38 H GLY 38 -2.906 8.850 -8.021 262 HA2 GLY 38 1HA GLY 38 -3.211 11.291 -8.457 263 HA3 GLY 38 2HA GLY 38 -4.682 11.157 -7.502 264 H PHE 39 H PHE 39 -3.489 9.327 -5.585 265 HA PHE 39 HA PHE 39 -1.624 11.158 -4.230 266 HB2 PHE 39 1HB PHE 39 -3.666 9.269 -3.043 267 HB3 PHE 39 2HB PHE 39 -2.442 10.111 -2.102 268 HD1 PHE 39 HD1 PHE 39 -5.674 10.322 -3.651 269 HD2 PHE 39 HD2 PHE 39 -2.481 12.610 -2.022 270 HE1 PHE 39 HE1 PHE 39 -7.182 12.253 -3.425 271 HE2 PHE 39 HE2 PHE 39 -3.978 14.543 -1.792 272 HZ PHE 39 HZ PHE 39 -6.334 14.369 -2.493 273 H ARG 40 H ARG 40 0.375 10.388 -4.242 274 HA ARG 40 HA ARG 40 0.900 7.547 -4.429 275 HB2 ARG 40 1HB ARG 40 2.736 9.929 -4.191 276 HB3 ARG 40 2HB ARG 40 3.296 8.268 -4.325 277 HG2 ARG 40 1HG ARG 40 2.206 8.085 -6.507 278 HG3 ARG 40 2HG ARG 40 1.674 9.765 -6.372 279 HD2 ARG 40 1HD ARG 40 3.945 10.537 -6.349 280 HD3 ARG 40 2HD ARG 40 4.553 8.885 -6.277 281 HE ARG 40 HE ARG 40 3.191 10.074 -8.611 282 HH11 ARG 40 1HH1 ARG 40 5.388 7.751 -7.199 283 HH12 ARG 40 2HH1 ARG 40 6.042 7.242 -8.725 284 HH21 ARG 40 1HH2 ARG 40 4.017 9.378 -10.625 285 HH22 ARG 40 2HH2 ARG 40 5.256 8.163 -10.673 286 H THR 41 H THR 41 -0.529 7.904 -2.246 287 HA THR 41 HA THR 41 1.389 7.676 -0.038 288 HB THR 41 HB THR 41 -0.356 8.716 1.432 289 HG1 THR 41 HG1 THR 41 -2.222 9.266 0.589 290 HG21 THR 41 1HG2 THR 41 0.672 10.433 -0.830 291 HG22 THR 41 2HG2 THR 41 1.545 10.027 0.647 292 HG23 THR 41 3HG2 THR 41 0.096 11.028 0.727 293 H LEU 42 H LEU 42 0.757 6.270 1.642 294 HA LEU 42 HA LEU 42 -1.383 4.404 0.896 295 HB2 LEU 42 1HB LEU 42 1.252 3.887 2.259 296 HB3 LEU 42 2HB LEU 42 -0.049 2.716 2.203 297 HG LEU 42 HG LEU 42 1.417 3.832 -0.178 298 HD11 LEU 42 1HD1 LEU 42 2.731 2.272 1.200 299 HD12 LEU 42 2HD1 LEU 42 2.363 1.631 -0.400 300 HD13 LEU 42 3HD1 LEU 42 1.459 1.065 1.004 301 HD21 LEU 42 1HD2 LEU 42 -0.795 1.794 0.019 302 HD22 LEU 42 2HD2 LEU 42 0.171 2.087 -1.428 303 HD23 LEU 42 3HD2 LEU 42 -0.861 3.363 -0.786 304 H GLU 43 H GLU 43 -2.692 3.612 2.522 305 HA GLU 43 HA GLU 43 -2.805 5.287 4.908 306 HB2 GLU 43 1HB GLU 43 -4.760 3.384 3.626 307 HB3 GLU 43 2HB GLU 43 -5.041 4.125 5.194 308 HG2 GLU 43 1HG GLU 43 -4.605 5.630 2.628 309 HG3 GLU 43 2HG GLU 43 -6.176 5.296 3.356 310 H GLU 44 H GLU 44 -2.628 4.479 6.952 311 HA GLU 44 HA GLU 44 -1.088 2.160 7.313 312 HB2 GLU 44 1HB GLU 44 -1.129 4.148 8.815 313 HB3 GLU 44 2HB GLU 44 -2.716 3.647 9.368 314 HG2 GLU 44 1HG GLU 44 -1.796 1.609 10.258 315 HG3 GLU 44 2HG GLU 44 -0.204 2.028 9.638 316 H ASN 45 H ASN 45 -1.623 0.126 7.547 317 HA ASN 45 HA ASN 45 -2.776 -1.794 7.845 318 HB2 ASN 45 1HB ASN 45 -4.819 0.030 9.097 319 HB3 ASN 45 2HB ASN 45 -5.073 -1.701 8.939 320 HD21 ASN 45 1HD2 ASN 45 -3.369 0.802 10.564 321 HD22 ASN 45 2HD2 ASN 45 -2.616 -0.186 11.764 322 H GLN 46 H GLN 46 -2.825 -0.248 5.448 323 HA GLN 46 HA GLN 46 -5.403 -1.039 4.278 324 HB2 GLN 46 1HB GLN 46 -4.678 1.313 3.986 325 HB3 GLN 46 2HB GLN 46 -3.235 0.745 3.166 326 HG2 GLN 46 1HG GLN 46 -4.620 -0.241 1.417 327 HG3 GLN 46 2HG GLN 46 -6.061 0.351 2.234 328 HE21 GLN 46 1HE2 GLN 46 -3.260 1.207 0.403 329 HE22 GLN 46 2HE2 GLN 46 -3.767 2.807 -0.014 330 H LYS 47 H LYS 47 -5.482 -2.545 2.663 331 HA LYS 47 HA LYS 47 -3.257 -4.255 2.261 332 HB2 LYS 47 1HB LYS 47 -6.015 -4.074 1.145 333 HB3 LYS 47 2HB LYS 47 -4.828 -5.059 0.299 334 HG2 LYS 47 1HG LYS 47 -5.417 -5.370 3.224 335 HG3 LYS 47 2HG LYS 47 -6.264 -6.270 1.964 336 HD2 LYS 47 1HD LYS 47 -4.249 -7.312 1.243 337 HD3 LYS 47 2HD LYS 47 -3.265 -6.243 2.244 338 HE2 LYS 47 1HE LYS 47 -3.402 -8.404 3.280 339 HE3 LYS 47 2HE LYS 47 -4.289 -7.233 4.250 340 HZ1 LYS 47 1HZ LYS 47 -5.531 -9.264 4.076 341 HZ2 LYS 47 2HZ LYS 47 -5.463 -9.225 2.390 342 HZ3 LYS 47 3HZ LYS 47 -6.350 -8.054 3.225 343 H VAL 48 H VAL 48 -2.038 -4.607 0.405 344 HA VAL 48 HA VAL 48 -2.080 -2.626 -1.706 345 HB VAL 48 HB VAL 48 -0.945 -1.487 0.160 346 HG11 VAL 48 1HG1 VAL 48 1.079 -3.700 -0.066 347 HG12 VAL 48 2HG1 VAL 48 -0.042 -3.447 1.274 348 HG13 VAL 48 3HG1 VAL 48 1.223 -2.260 0.946 349 HG21 VAL 48 1HG2 VAL 48 1.065 -0.809 -1.050 350 HG22 VAL 48 2HG2 VAL 48 -0.343 -0.903 -2.109 351 HG23 VAL 48 3HG2 VAL 48 0.869 -2.185 -2.135 352 H GLU 49 H GLU 49 -0.713 -3.154 -3.451 353 HA GLU 49 HA GLU 49 0.574 -5.799 -3.339 354 HB2 GLU 49 1HB GLU 49 -1.481 -5.915 -4.646 355 HB3 GLU 49 2HB GLU 49 -0.962 -4.548 -5.618 356 HG2 GLU 49 1HG GLU 49 0.919 -5.863 -6.454 357 HG3 GLU 49 2HG GLU 49 0.370 -7.242 -5.499 358 H PHE 50 H PHE 50 2.617 -5.921 -4.200 359 HA PHE 50 HA PHE 50 3.758 -3.639 -5.578 360 HB2 PHE 50 1HB PHE 50 5.513 -3.369 -3.761 361 HB3 PHE 50 2HB PHE 50 3.902 -2.794 -3.351 362 HD1 PHE 50 HD1 PHE 50 2.447 -4.163 -1.869 363 HD2 PHE 50 HD2 PHE 50 6.547 -5.110 -2.519 364 HE1 PHE 50 HE1 PHE 50 2.423 -5.597 0.122 365 HE2 PHE 50 HE2 PHE 50 6.526 -6.546 -0.523 366 HZ PHE 50 HZ PHE 50 4.465 -6.793 0.797 367 H GLU 51 H GLU 51 6.214 -3.975 -5.766 368 HA GLU 51 HA GLU 51 6.868 -6.845 -5.905 369 HB2 GLU 51 1HB GLU 51 6.700 -5.886 -8.156 370 HB3 GLU 51 2HB GLU 51 7.832 -4.615 -7.710 371 HG2 GLU 51 1HG GLU 51 9.603 -6.217 -7.445 372 HG3 GLU 51 2HG GLU 51 8.487 -7.549 -7.734 373 H ILE 52 H ILE 52 8.459 -7.420 -4.563 374 HA ILE 52 HA ILE 52 9.752 -5.368 -3.024 375 HB ILE 52 HB ILE 52 10.099 -8.362 -2.899 376 HG12 ILE 52 1HG1 ILE 52 8.501 -6.473 -1.167 377 HG13 ILE 52 2HG1 ILE 52 7.823 -7.568 -2.363 378 HG21 ILE 52 1HG2 ILE 52 12.044 -7.193 -2.014 379 HG22 ILE 52 2HG2 ILE 52 11.120 -7.937 -0.707 380 HG23 ILE 52 3HG2 ILE 52 10.998 -6.201 -0.997 381 HD11 ILE 52 1HD1 ILE 52 9.315 -8.364 0.125 382 HD12 ILE 52 2HD1 ILE 52 8.649 -9.472 -1.077 383 HD13 ILE 52 3HD1 ILE 52 7.571 -8.452 -0.125 384 H GLY 53 H GLY 53 11.530 -4.403 -3.548 385 HA2 GLY 53 1HA GLY 53 13.590 -5.898 -5.050 386 HA3 GLY 53 2HA GLY 53 13.287 -4.182 -5.294 387 H GLU 54 H GLU 54 15.450 -3.696 -4.751 388 HA GLU 54 HA GLU 54 16.067 -4.045 -1.896 389 HB2 GLU 54 1HB GLU 54 17.576 -5.329 -3.334 390 HB3 GLU 54 2HB GLU 54 17.970 -3.873 -4.234 391 HG2 GLU 54 1HG GLU 54 18.924 -2.902 -2.177 392 HG3 GLU 54 2HG GLU 54 18.606 -4.425 -1.346 393 H GLY 55 H GLY 55 16.319 -2.254 -0.743 394 HA2 GLY 55 1HA GLY 55 16.651 0.289 -2.202 395 HA3 GLY 55 2HA GLY 55 15.794 0.126 -0.675 396 H ALA 56 H ALA 56 17.224 1.845 0.039 397 HA ALA 56 HA ALA 56 20.038 1.402 0.207 398 HB1 ALA 56 1HB ALA 56 18.359 3.397 1.715 399 HB2 ALA 56 2HB ALA 56 19.020 3.648 0.102 400 HB3 ALA 56 3HB ALA 56 20.105 3.451 1.477 401 H LYS 57 H LYS 57 17.314 0.946 2.380 402 HA LYS 57 HA LYS 57 19.138 -0.328 4.299 403 HB2 LYS 57 1HB LYS 57 16.886 1.581 4.917 404 HB3 LYS 57 2HB LYS 57 17.660 0.567 6.125 405 HG2 LYS 57 1HG LYS 57 19.809 1.650 5.627 406 HG3 LYS 57 2HG LYS 57 18.991 2.696 4.467 407 HD2 LYS 57 1HD LYS 57 17.630 3.644 6.226 408 HD3 LYS 57 2HD LYS 57 18.330 2.531 7.403 409 HE2 LYS 57 1HE LYS 57 20.535 3.531 7.032 410 HE3 LYS 57 2HE LYS 57 19.831 4.646 5.864 411 HZ1 LYS 57 1HZ LYS 57 18.517 5.630 7.597 412 HZ2 LYS 57 2HZ LYS 57 20.140 5.633 8.075 413 HZ3 LYS 57 3HZ LYS 57 19.069 4.502 8.730 414 H GLY 58 H GLY 58 18.017 -1.920 2.543 415 HA2 GLY 58 1HA GLY 58 17.104 -4.093 3.317 416 HA3 GLY 58 2HA GLY 58 15.791 -3.168 4.030 417 HA PRO 59 HA PRO 59 14.487 -4.574 -0.224 418 HB2 PRO 59 1HB PRO 59 12.098 -5.583 0.591 419 HB3 PRO 59 2HB PRO 59 13.579 -6.539 0.539 420 HG2 PRO 59 1HG PRO 59 12.279 -5.187 2.864 421 HG3 PRO 59 2HG PRO 59 13.000 -6.802 2.772 422 HD2 PRO 59 1HD PRO 59 14.300 -4.707 3.864 423 HD3 PRO 59 2HD PRO 59 15.150 -5.989 2.979 424 H GLN 60 H GLN 60 13.044 -3.484 -1.514 425 HA GLN 60 HA GLN 60 11.468 -1.378 -0.183 426 HB2 GLN 60 1HB GLN 60 11.888 0.071 -2.114 427 HB3 GLN 60 2HB GLN 60 13.389 -0.399 -1.327 428 HG2 GLN 60 1HG GLN 60 13.888 -1.968 -3.047 429 HG3 GLN 60 2HG GLN 60 12.293 -1.766 -3.768 430 HE21 GLN 60 1HE2 GLN 60 14.073 0.936 -2.537 431 HE22 GLN 60 2HE2 GLN 60 14.460 1.639 -4.064 432 H ALA 61 H ALA 61 9.456 -0.939 -0.960 433 HA ALA 61 HA ALA 61 8.251 -2.970 -2.644 434 HB1 ALA 61 1HB ALA 61 7.019 -0.569 -1.288 435 HB2 ALA 61 2HB ALA 61 7.066 -2.211 -0.643 436 HB3 ALA 61 3HB ALA 61 6.138 -1.862 -2.102 437 H GLN 62 H GLN 62 8.303 -2.783 -4.763 438 HA GLN 62 HA GLN 62 8.413 -0.103 -5.972 439 HB2 GLN 62 1HB GLN 62 9.041 -2.768 -7.243 440 HB3 GLN 62 2HB GLN 62 9.335 -1.178 -7.933 441 HG2 GLN 62 1HG GLN 62 11.003 -0.716 -6.260 442 HG3 GLN 62 2HG GLN 62 10.657 -2.245 -5.453 443 HE21 GLN 62 1HE2 GLN 62 11.252 -4.175 -6.457 444 HE22 GLN 62 2HE2 GLN 62 12.463 -4.223 -7.690 445 H GLN 63 H GLN 63 7.027 0.394 -7.702 446 HA GLN 63 HA GLN 63 5.012 0.497 -8.742 447 HB2 GLN 63 1HB GLN 63 5.544 -2.467 -8.917 448 HB3 GLN 63 2HB GLN 63 4.196 -1.688 -9.724 449 HG2 GLN 63 1HG GLN 63 5.849 -1.923 -11.357 450 HG3 GLN 63 2HG GLN 63 5.901 -0.229 -10.881 451 HE21 GLN 63 1HE2 GLN 63 7.727 0.583 -9.935 452 HE22 GLN 63 2HE2 GLN 63 9.186 -0.323 -9.764 453 H VAL 64 H VAL 64 4.600 0.862 -6.235 454 HA VAL 64 HA VAL 64 3.138 -1.224 -4.904 455 HB VAL 64 HB VAL 64 3.314 1.615 -3.951 456 HG11 VAL 64 1HG1 VAL 64 1.933 0.157 -2.641 457 HG12 VAL 64 2HG1 VAL 64 3.409 0.524 -1.746 458 HG13 VAL 64 3HG1 VAL 64 3.227 -1.037 -2.543 459 HG21 VAL 64 1HG2 VAL 64 5.462 1.073 -2.889 460 HG22 VAL 64 2HG2 VAL 64 5.560 1.046 -4.650 461 HG23 VAL 64 3HG2 VAL 64 5.478 -0.467 -3.748 462 H HIS 65 H HIS 65 1.179 -1.626 -5.770 463 HA HIS 65 HA HIS 65 -0.650 0.610 -6.295 464 HB2 HIS 65 1HB HIS 65 -0.802 -2.332 -6.951 465 HB3 HIS 65 2HB HIS 65 -2.160 -1.240 -7.162 466 HD1 HIS 65 HD1 HIS 65 -2.165 0.246 -9.220 467 HD2 HIS 65 HD2 HIS 65 1.349 -1.918 -8.752 468 HE1 HIS 65 HE1 HIS 65 -0.915 0.524 -11.378 469 HE2 HIS 65 HE2 HIS 65 1.096 -0.974 -11.148 470 H ALA 66 H ALA 66 -2.076 1.172 -4.810 471 HA ALA 66 HA ALA 66 -2.338 -0.334 -2.387 472 HB1 ALA 66 1HB ALA 66 -2.328 2.095 -2.340 473 HB2 ALA 66 2HB ALA 66 -3.847 1.467 -1.697 474 HB3 ALA 66 3HB ALA 66 -3.786 2.134 -3.330 475 H LEU 67 H LEU 67 -3.909 -1.698 -1.811 476 HA LEU 67 HA LEU 67 -5.753 -2.506 -3.908 477 HB2 LEU 67 1HB LEU 67 -5.052 -3.767 -1.262 478 HB3 LEU 67 2HB LEU 67 -6.143 -4.469 -2.438 479 HG LEU 67 HG LEU 67 -3.206 -3.934 -2.879 480 HD11 LEU 67 1HD1 LEU 67 -3.657 -5.744 -1.278 481 HD12 LEU 67 2HD1 LEU 67 -2.934 -6.329 -2.774 482 HD13 LEU 67 3HD1 LEU 67 -4.662 -6.543 -2.488 483 HD21 LEU 67 1HD2 LEU 67 -5.259 -5.287 -4.621 484 HD22 LEU 67 2HD2 LEU 67 -3.524 -5.247 -4.931 485 HD23 LEU 67 3HD2 LEU 67 -4.455 -3.750 -4.943 486 H GLY 68 H GLY 68 -7.420 -1.076 -3.913 487 HA2 GLY 68 1HA GLY 68 -8.872 -0.624 -1.397 488 HA3 GLY 68 2HA GLY 68 -9.064 0.307 -2.877 489 H GLY 69 H GLY 69 -8.991 -3.184 -2.573 490 HA2 GLY 69 1HA GLY 69 -11.549 -3.975 -2.388 491 HA3 GLY 69 2HA GLY 69 -11.471 -3.391 -4.046 492 H GLU 70 H GLU 70 -11.977 -5.621 -4.596 493 HA GLU 70 HA GLU 70 -11.371 -7.529 -5.641 494 HB2 GLU 70 1HB GLU 70 -8.546 -6.616 -5.099 495 HB3 GLU 70 2HB GLU 70 -8.974 -8.004 -6.090 496 HG2 GLU 70 1HG GLU 70 -9.678 -5.131 -6.624 497 HG3 GLU 70 2HG GLU 70 -8.493 -6.108 -7.491 498 H ASN 71 H ASN 71 -9.238 -7.055 -2.831 499 HA ASN 71 HA ASN 71 -9.231 -9.860 -2.211 500 HB2 ASN 71 1HB ASN 71 -8.228 -7.474 -0.641 501 HB3 ASN 71 2HB ASN 71 -7.950 -9.156 -0.199 502 HD21 ASN 71 1HD2 ASN 71 -6.481 -10.373 -1.361 503 HD22 ASN 71 2HD2 ASN 71 -5.385 -9.673 -2.494 504 H LEU 72 H LEU 72 -11.747 -9.525 -2.310 505 HA LEU 72 HA LEU 72 -12.638 -9.480 0.497 506 HB2 LEU 72 1HB LEU 72 -14.219 -8.638 -1.941 507 HB3 LEU 72 2HB LEU 72 -14.864 -8.760 -0.317 508 HG LEU 72 HG LEU 72 -12.710 -6.833 -1.196 509 HD11 LEU 72 1HD1 LEU 72 -14.408 -5.122 -0.944 510 HD12 LEU 72 2HD1 LEU 72 -15.602 -6.341 -0.501 511 HD13 LEU 72 3HD1 LEU 72 -14.925 -6.322 -2.128 512 HD21 LEU 72 1HD2 LEU 72 -13.045 -5.819 1.008 513 HD22 LEU 72 2HD2 LEU 72 -12.468 -7.480 1.139 514 HD23 LEU 72 3HD2 LEU 72 -14.168 -7.110 1.431 515 H TYR 73 H TYR 73 -11.595 -11.605 -1.242 516 HA TYR 73 HA TYR 73 -13.979 -13.272 -1.607 517 HB2 TYR 73 1HB TYR 73 -12.465 -14.733 -2.988 518 HB3 TYR 73 2HB TYR 73 -12.733 -13.126 -3.644 519 HD1 TYR 73 HD1 TYR 73 -10.271 -15.445 -2.273 520 HD2 TYR 73 HD2 TYR 73 -10.923 -11.463 -3.623 521 HE1 TYR 73 HE1 TYR 73 -7.840 -15.105 -2.432 522 HE2 TYR 73 HE2 TYR 73 -8.496 -11.115 -3.785 523 HH TYR 73 HH TYR 73 -6.242 -13.682 -3.568 524 H PHE 74 H PHE 74 -14.399 -14.784 -0.189 525 HA PHE 74 HA PHE 74 -12.429 -16.489 0.928 526 HB2 PHE 74 1HB PHE 74 -12.791 -15.893 3.327 527 HB3 PHE 74 2HB PHE 74 -11.934 -14.655 2.421 528 HD1 PHE 74 HD1 PHE 74 -13.073 -12.549 1.824 529 HD2 PHE 74 HD2 PHE 74 -14.917 -15.472 4.307 530 HE1 PHE 74 HE1 PHE 74 -14.702 -10.870 2.588 531 HE2 PHE 74 HE2 PHE 74 -16.548 -13.800 5.070 532 HZ PHE 74 HZ PHE 74 -16.443 -11.497 4.210 533 H GLN 75 H GLN 75 -15.675 -15.144 1.302 534 HA GLN 75 HA GLN 75 -16.687 -17.821 1.938 535 HB2 GLN 75 1HB GLN 75 -17.305 -15.953 3.451 536 HB3 GLN 75 2HB GLN 75 -18.076 -15.141 2.097 537 HG2 GLN 75 1HG GLN 75 -19.695 -16.915 1.901 538 HG3 GLN 75 2HG GLN 75 -18.885 -17.831 3.170 539 HE21 GLN 75 1HE2 GLN 75 -19.309 -14.363 3.262 540 HE22 GLN 75 2HE2 GLN 75 -20.436 -14.348 4.575 541 H GLY 76 H GLY 76 -17.340 -18.959 0.254 542 HA2 GLY 76 1HA GLY 76 -18.730 -19.311 -1.650 543 HA3 GLY 76 2HA GLY 76 -18.672 -17.581 -1.969 544 H HIS 77 H HIS 77 -18.087 -19.706 -3.832 545 HA HIS 77 HA HIS 77 -15.179 -19.418 -4.150 546 HB2 HIS 77 1HB HIS 77 -17.057 -21.418 -5.428 547 HB3 HIS 77 2HB HIS 77 -15.315 -21.357 -5.664 548 HD1 HIS 77 HD1 HIS 77 -17.793 -23.037 -3.731 549 HD2 HIS 77 HD2 HIS 77 -13.922 -21.707 -3.015 550 HE1 HIS 77 HE1 HIS 77 -16.994 -24.328 -1.730 551 HE2 HIS 77 HE2 HIS 77 -14.613 -23.593 -1.382 552 H HIS 78 H HIS 78 -14.676 -17.744 -5.408 553 HA HIS 78 HA HIS 78 -16.321 -16.762 -7.498 554 HB2 HIS 78 1HB HIS 78 -14.383 -15.414 -8.173 555 HB3 HIS 78 2HB HIS 78 -14.643 -15.328 -6.440 556 HD1 HIS 78 HD1 HIS 78 -12.741 -16.020 -4.947 557 HD2 HIS 78 HD2 HIS 78 -12.066 -16.940 -8.944 558 HE1 HIS 78 HE1 HIS 78 -10.321 -16.692 -5.088 559 HE2 HIS 78 HE2 HIS 78 -9.908 -17.128 -7.532 560 H HIS 79 H HIS 79 -14.005 -19.289 -7.251 561 HA HIS 79 HA HIS 79 -14.096 -19.861 -10.104 562 HB2 HIS 79 1HB HIS 79 -12.052 -20.348 -8.719 563 HB3 HIS 79 2HB HIS 79 -12.990 -21.546 -7.835 564 HD1 HIS 79 HD1 HIS 79 -12.894 -23.863 -8.736 565 HD2 HIS 79 HD2 HIS 79 -11.817 -21.026 -11.579 566 HE1 HIS 79 HE1 HIS 79 -12.132 -25.169 -10.746 567 HE2 HIS 79 HE2 HIS 79 -11.567 -23.434 -12.482 568 H HIS 80 H HIS 80 -16.310 -20.102 -10.409 569 HA HIS 80 HA HIS 80 -18.001 -21.485 -8.614 570 HB2 HIS 80 1HB HIS 80 -18.422 -20.618 -11.475 571 HB3 HIS 80 2HB HIS 80 -19.685 -21.335 -10.481 572 HD1 HIS 80 HD1 HIS 80 -21.064 -19.728 -9.186 573 HD2 HIS 80 HD2 HIS 80 -17.387 -18.114 -10.268 574 HE1 HIS 80 HE1 HIS 80 -21.119 -17.332 -8.421 575 HE2 HIS 80 HE2 HIS 80 -18.900 -16.363 -9.122 576 H HIS 81 H HIS 81 -18.586 -23.528 -8.457 577 HA HIS 81 HA HIS 81 -18.057 -25.396 -10.632 578 HB2 HIS 81 1HB HIS 81 -16.001 -25.371 -9.231 579 HB3 HIS 81 2HB HIS 81 -16.974 -25.804 -7.831 580 HD1 HIS 81 HD1 HIS 81 -17.357 -28.249 -7.433 581 HD2 HIS 81 HD2 HIS 81 -15.901 -27.461 -11.246 582 HE1 HIS 81 HE1 HIS 81 -16.849 -30.493 -8.442 583 HE2 HIS 81 HE2 HIS 81 -16.063 -29.997 -10.782 584 H HIS 82 H HIS 82 -20.023 -26.242 -10.914 585 HA HIS 82 HA HIS 82 -21.818 -26.603 -8.666 586 HB2 HIS 82 1HB HIS 82 -22.695 -25.759 -10.816 587 HB3 HIS 82 2HB HIS 82 -22.213 -27.262 -11.595 588 HD1 HIS 82 HD1 HIS 82 -24.165 -28.707 -11.965 589 HD2 HIS 82 HD2 HIS 82 -24.509 -26.550 -8.427 590 HE1 HIS 82 HE1 HIS 82 -26.358 -29.411 -10.952 591 HE2 HIS 82 HE2 HIS 82 -26.523 -28.130 -8.791 Start of MODEL 3 1 H2 MET 1 2H MET 1 5.761 -10.702 -8.419 2 H MET 1 1H MET 1 6.962 -9.536 -8.681 3 H3 MET 1 3H MET 1 7.115 -10.647 -7.412 4 HA MET 1 HA MET 1 6.466 -8.480 -6.609 5 HB2 MET 1 1HB MET 1 4.278 -7.569 -7.166 6 HB3 MET 1 2HB MET 1 5.238 -7.770 -8.623 7 HG2 MET 1 1HG MET 1 4.023 -9.848 -9.112 8 HG3 MET 1 2HG MET 1 3.035 -9.586 -7.677 9 HE1 MET 1 1HE MET 1 0.819 -9.771 -9.138 10 HE2 MET 1 2HE MET 1 1.814 -10.066 -10.563 11 HE3 MET 1 3HE MET 1 0.546 -8.840 -10.612 12 H ALA 2 H ALA 2 5.176 -8.297 -4.758 13 HA ALA 2 HA ALA 2 3.807 -10.767 -3.925 14 HB1 ALA 2 1HB ALA 2 5.747 -9.141 -2.274 15 HB2 ALA 2 2HB ALA 2 6.043 -10.750 -2.934 16 HB3 ALA 2 3HB ALA 2 4.807 -10.518 -1.696 17 H GLN 3 H GLN 3 2.431 -10.359 -1.976 18 HA GLN 3 HA GLN 3 1.324 -7.638 -2.050 19 HB2 GLN 3 1HB GLN 3 -0.022 -10.294 -1.613 20 HB3 GLN 3 2HB GLN 3 -0.783 -8.771 -1.181 21 HG2 GLN 3 1HG GLN 3 -0.779 -8.039 -3.440 22 HG3 GLN 3 2HG GLN 3 0.213 -9.406 -3.937 23 HE21 GLN 3 1HE2 GLN 3 -2.943 -8.394 -2.893 24 HE22 GLN 3 2HE2 GLN 3 -3.794 -9.789 -3.444 25 H GLY 4 H GLY 4 0.143 -7.113 0.037 26 HA2 GLY 4 1HA GLY 4 0.783 -8.398 2.442 27 HA3 GLY 4 2HA GLY 4 1.987 -7.155 2.146 28 H THR 5 H THR 5 1.197 -6.219 4.100 29 HA THR 5 HA THR 5 -1.103 -4.466 3.579 30 HB THR 5 HB THR 5 -0.512 -5.665 6.288 31 HG1 THR 5 HG1 THR 5 -1.202 -7.283 4.755 32 HG21 THR 5 1HG2 THR 5 -1.728 -3.529 6.267 33 HG22 THR 5 2HG2 THR 5 -2.747 -4.851 6.837 34 HG23 THR 5 3HG2 THR 5 -2.937 -4.236 5.194 35 H VAL 6 H VAL 6 -0.467 -2.413 3.702 36 HA VAL 6 HA VAL 6 2.072 -1.676 4.709 37 HB VAL 6 HB VAL 6 1.370 -0.229 3.053 38 HG11 VAL 6 1HG1 VAL 6 -0.841 0.860 3.001 39 HG12 VAL 6 2HG1 VAL 6 -1.299 -0.071 4.424 40 HG13 VAL 6 3HG1 VAL 6 -0.929 -0.897 2.911 41 HG21 VAL 6 1HG2 VAL 6 0.641 1.193 5.611 42 HG22 VAL 6 2HG2 VAL 6 1.019 1.971 4.075 43 HG23 VAL 6 3HG2 VAL 6 2.261 1.049 4.925 44 H LYS 7 H LYS 7 2.628 -1.649 6.727 45 HA LYS 7 HA LYS 7 0.709 -1.776 8.828 46 HB2 LYS 7 1HB LYS 7 2.684 -1.825 10.308 47 HB3 LYS 7 2HB LYS 7 2.787 -3.001 9.008 48 HG2 LYS 7 1HG LYS 7 4.360 -1.674 7.826 49 HG3 LYS 7 2HG LYS 7 4.120 -0.315 8.923 50 HD2 LYS 7 1HD LYS 7 6.185 -1.437 9.457 51 HD3 LYS 7 2HD LYS 7 5.025 -1.680 10.761 52 HE2 LYS 7 1HE LYS 7 4.497 -3.899 9.855 53 HE3 LYS 7 2HE LYS 7 5.689 -3.651 8.580 54 HZ1 LYS 7 1HZ LYS 7 7.350 -3.351 10.412 55 HZ2 LYS 7 2HZ LYS 7 6.735 -4.917 10.243 56 HZ3 LYS 7 3HZ LYS 7 6.175 -3.914 11.491 57 H TRP 8 H TRP 8 2.744 0.671 7.438 58 HA TRP 8 HA TRP 8 1.043 2.738 8.316 59 HB2 TRP 8 1HB TRP 8 2.581 4.004 9.737 60 HB3 TRP 8 2HB TRP 8 2.221 2.444 10.458 61 HD1 TRP 8 HD1 TRP 8 4.211 0.744 10.763 62 HE1 TRP 8 HE1 TRP 8 6.766 1.005 10.633 63 HE3 TRP 8 HE3 TRP 8 4.453 5.276 8.410 64 HZ2 TRP 8 HZ2 TRP 8 8.633 2.885 9.681 65 HZ3 TRP 8 HZ3 TRP 8 6.665 6.237 7.931 66 HH2 TRP 8 HH2 TRP 8 8.710 5.061 8.552 67 H PHE 9 H PHE 9 1.496 4.682 7.266 68 HA PHE 9 HA PHE 9 3.897 4.759 5.618 69 HB2 PHE 9 1HB PHE 9 2.100 3.754 4.227 70 HB3 PHE 9 2HB PHE 9 1.145 5.215 4.457 71 HD1 PHE 9 HD1 PHE 9 1.589 7.185 3.206 72 HD2 PHE 9 HD2 PHE 9 4.212 3.844 2.976 73 HE1 PHE 9 HE1 PHE 9 2.724 8.213 1.284 74 HE2 PHE 9 HE2 PHE 9 5.355 4.866 1.054 75 HZ PHE 9 HZ PHE 9 4.613 7.055 0.209 76 H ASN 10 H ASN 10 4.842 6.606 5.881 77 HA ASN 10 HA ASN 10 3.373 8.886 6.929 78 HB2 ASN 10 1HB ASN 10 5.572 8.217 7.900 79 HB3 ASN 10 2HB ASN 10 6.332 8.577 6.358 80 HD21 ASN 10 1HD2 ASN 10 6.711 9.709 9.042 81 HD22 ASN 10 2HD2 ASN 10 6.488 11.413 8.857 82 H ALA 11 H ALA 11 2.210 9.742 5.298 83 HA ALA 11 HA ALA 11 3.120 9.871 2.603 84 HB1 ALA 11 1HB ALA 11 0.792 11.264 3.913 85 HB2 ALA 11 2HB ALA 11 0.754 9.669 3.161 86 HB3 ALA 11 3HB ALA 11 1.060 11.100 2.178 87 H GLU 12 H GLU 12 3.427 11.937 5.339 88 HA GLU 12 HA GLU 12 3.827 14.398 3.991 89 HB2 GLU 12 1HB GLU 12 4.904 13.442 6.648 90 HB3 GLU 12 2HB GLU 12 4.931 15.107 6.086 91 HG2 GLU 12 1HG GLU 12 2.462 13.472 6.587 92 HG3 GLU 12 2HG GLU 12 3.126 14.693 7.671 93 H LYS 13 H LYS 13 6.027 11.949 5.247 94 HA LYS 13 HA LYS 13 8.337 13.230 4.076 95 HB2 LYS 13 1HB LYS 13 8.075 10.559 5.455 96 HB3 LYS 13 2HB LYS 13 9.582 11.370 5.060 97 HG2 LYS 13 1HG LYS 13 7.488 12.407 6.948 98 HG3 LYS 13 2HG LYS 13 8.980 11.597 7.419 99 HD2 LYS 13 1HD LYS 13 10.258 13.389 6.295 100 HD3 LYS 13 2HD LYS 13 8.739 14.207 5.936 101 HE2 LYS 13 1HE LYS 13 8.267 14.419 8.309 102 HE3 LYS 13 2HE LYS 13 9.746 13.544 8.697 103 HZ1 LYS 13 1HZ LYS 13 11.036 15.324 7.724 104 HZ2 LYS 13 2HZ LYS 13 10.008 15.950 8.914 105 HZ3 LYS 13 3HZ LYS 13 9.629 16.150 7.279 106 H GLY 14 H GLY 14 6.170 10.613 3.391 107 HA2 GLY 14 1HA GLY 14 5.712 9.878 1.206 108 HA3 GLY 14 2HA GLY 14 7.275 10.489 0.692 109 H PHE 15 H PHE 15 7.012 8.480 3.538 110 HA PHE 15 HA PHE 15 7.682 6.103 2.009 111 HB2 PHE 15 1HB PHE 15 9.740 5.627 3.111 112 HB3 PHE 15 2HB PHE 15 9.854 7.274 2.511 113 HD1 PHE 15 HD1 PHE 15 9.876 9.159 4.060 114 HD2 PHE 15 HD2 PHE 15 9.701 5.145 5.465 115 HE1 PHE 15 HE1 PHE 15 10.529 9.916 6.309 116 HE2 PHE 15 HE2 PHE 15 10.350 5.899 7.712 117 HZ PHE 15 HZ PHE 15 10.765 8.286 8.136 118 H GLY 16 H GLY 16 7.746 4.152 3.369 119 HA2 GLY 16 1HA GLY 16 6.678 4.222 6.016 120 HA3 GLY 16 2HA GLY 16 5.441 3.821 4.831 121 H PHE 17 H PHE 17 5.386 1.779 6.079 122 HA PHE 17 HA PHE 17 7.267 -0.101 4.853 123 HB2 PHE 17 1HB PHE 17 6.786 0.257 7.776 124 HB3 PHE 17 2HB PHE 17 7.080 -1.366 7.157 125 HD1 PHE 17 HD1 PHE 17 9.221 -1.973 6.222 126 HD2 PHE 17 HD2 PHE 17 8.531 1.926 7.771 127 HE1 PHE 17 HE1 PHE 17 11.644 -1.561 6.246 128 HE2 PHE 17 HE2 PHE 17 10.954 2.349 7.799 129 HZ PHE 17 HZ PHE 17 12.515 0.604 7.035 130 H ILE 18 H ILE 18 6.453 -1.981 4.259 131 HA ILE 18 HA ILE 18 3.623 -2.508 4.856 132 HB ILE 18 HB ILE 18 5.287 -3.327 2.475 133 HG12 ILE 18 1HG1 ILE 18 2.732 -1.743 2.501 134 HG13 ILE 18 2HG1 ILE 18 4.314 -0.982 2.605 135 HG21 ILE 18 1HG2 ILE 18 2.458 -4.101 3.164 136 HG22 ILE 18 2HG2 ILE 18 3.857 -5.176 3.068 137 HG23 ILE 18 3HG2 ILE 18 3.243 -4.394 1.609 138 HD11 ILE 18 1HD1 ILE 18 3.362 -2.737 0.355 139 HD12 ILE 18 2HD1 ILE 18 4.928 -1.926 0.453 140 HD13 ILE 18 3HD1 ILE 18 3.445 -0.975 0.326 141 H ALA 19 H ALA 19 3.052 -4.458 5.658 142 HA ALA 19 HA ALA 19 5.212 -6.344 6.272 143 HB1 ALA 19 1HB ALA 19 3.583 -7.384 7.794 144 HB2 ALA 19 2HB ALA 19 2.375 -6.199 7.294 145 HB3 ALA 19 3HB ALA 19 3.821 -5.675 8.157 146 HA PRO 20 HA PRO 20 3.632 -8.112 2.349 147 HB2 PRO 20 1HB PRO 20 5.954 -9.841 3.009 148 HB3 PRO 20 2HB PRO 20 5.501 -9.108 1.469 149 HG2 PRO 20 1HG PRO 20 7.484 -8.088 2.903 150 HG3 PRO 20 2HG PRO 20 6.339 -7.028 2.065 151 HD2 PRO 20 1HD PRO 20 6.528 -7.699 4.954 152 HD3 PRO 20 2HD PRO 20 6.074 -6.175 4.178 153 H ASP 21 H ASP 21 2.526 -9.900 1.877 154 HA ASP 21 HA ASP 21 1.517 -11.510 4.016 155 HB2 ASP 21 1HB ASP 21 0.178 -10.721 2.050 156 HB3 ASP 21 2HB ASP 21 1.108 -11.814 1.033 157 H ASP 22 H ASP 22 4.223 -11.646 2.092 158 HA ASP 22 HA ASP 22 4.474 -14.517 1.915 159 HB2 ASP 22 1HB ASP 22 5.343 -12.955 0.163 160 HB3 ASP 22 2HB ASP 22 6.540 -12.391 1.321 161 H GLY 23 H GLY 23 4.313 -13.074 4.559 162 HA2 GLY 23 1HA GLY 23 5.116 -14.085 6.572 163 HA3 GLY 23 2HA GLY 23 6.620 -14.453 5.747 164 H SER 24 H SER 24 5.308 -11.353 5.271 165 HA SER 24 HA SER 24 6.014 -9.277 5.751 166 HB2 SER 24 1HB SER 24 6.090 -8.726 8.166 167 HB3 SER 24 2HB SER 24 4.674 -9.664 7.699 168 HG SER 24 HG SER 24 6.739 -11.271 8.421 169 H ALA 25 H ALA 25 8.025 -9.428 4.581 170 HA ALA 25 HA ALA 25 10.454 -9.651 6.104 171 HB1 ALA 25 1HB ALA 25 10.427 -10.163 3.709 172 HB2 ALA 25 2HB ALA 25 11.566 -8.869 4.077 173 HB3 ALA 25 3HB ALA 25 10.002 -8.488 3.357 174 H ASP 26 H ASP 26 8.059 -7.450 5.996 175 HA ASP 26 HA ASP 26 7.722 -5.283 6.502 176 HB2 ASP 26 1HB ASP 26 10.382 -5.577 7.915 177 HB3 ASP 26 2HB ASP 26 9.244 -4.252 8.147 178 H VAL 27 H VAL 27 7.904 -4.863 4.268 179 HA VAL 27 HA VAL 27 10.468 -4.098 3.175 180 HB VAL 27 HB VAL 27 8.930 -5.512 1.884 181 HG11 VAL 27 1HG1 VAL 27 6.925 -4.543 0.867 182 HG12 VAL 27 2HG1 VAL 27 7.157 -3.085 1.837 183 HG13 VAL 27 3HG1 VAL 27 6.814 -4.628 2.627 184 HG21 VAL 27 1HG2 VAL 27 9.070 -4.321 -0.236 185 HG22 VAL 27 2HG2 VAL 27 10.557 -4.164 0.700 186 HG23 VAL 27 3HG2 VAL 27 9.412 -2.823 0.631 187 H PHE 28 H PHE 28 11.066 -2.115 2.507 188 HA PHE 28 HA PHE 28 9.784 0.136 3.770 189 HB2 PHE 28 1HB PHE 28 12.215 -0.068 3.768 190 HB3 PHE 28 2HB PHE 28 12.233 -0.088 2.011 191 HD1 PHE 28 HD1 PHE 28 11.549 2.024 4.964 192 HD2 PHE 28 HD2 PHE 28 12.247 1.907 0.768 193 HE1 PHE 28 HE1 PHE 28 11.821 4.468 4.944 194 HE2 PHE 28 HE2 PHE 28 12.518 4.352 0.741 195 HZ PHE 28 HZ PHE 28 12.307 5.635 2.831 196 H VAL 29 H VAL 29 8.431 1.544 2.836 197 HA VAL 29 HA VAL 29 7.968 1.255 -0.059 198 HB VAL 29 HB VAL 29 6.121 2.802 1.694 199 HG11 VAL 29 1HG1 VAL 29 4.450 1.976 0.121 200 HG12 VAL 29 2HG1 VAL 29 5.688 1.023 -0.695 201 HG13 VAL 29 3HG1 VAL 29 5.776 2.785 -0.715 202 HG21 VAL 29 1HG2 VAL 29 4.874 0.812 2.277 203 HG22 VAL 29 2HG2 VAL 29 6.508 0.743 2.936 204 HG23 VAL 29 3HG2 VAL 29 6.095 -0.198 1.502 205 H HIS 30 H HIS 30 7.897 3.037 -1.386 206 HA HIS 30 HA HIS 30 8.526 5.650 -0.221 207 HB2 HIS 30 1HB HIS 30 10.622 4.574 -1.057 208 HB3 HIS 30 2HB HIS 30 9.898 4.487 -2.658 209 HD1 HIS 30 HD1 HIS 30 10.796 6.241 -4.113 210 HD2 HIS 30 HD2 HIS 30 10.454 7.530 -0.168 211 HE1 HIS 30 HE1 HIS 30 11.611 8.630 -4.097 212 HE2 HIS 30 HE2 HIS 30 11.527 9.336 -1.677 213 H TYR 31 H TYR 31 7.355 7.255 -1.073 214 HA TYR 31 HA TYR 31 4.968 6.595 -2.318 215 HB2 TYR 31 1HB TYR 31 4.421 8.899 -2.273 216 HB3 TYR 31 2HB TYR 31 5.439 8.607 -0.870 217 HD1 TYR 31 HD1 TYR 31 4.961 10.572 -3.801 218 HD2 TYR 31 HD2 TYR 31 7.927 9.219 -1.071 219 HE1 TYR 31 HE1 TYR 31 6.441 12.399 -4.510 220 HE2 TYR 31 HE2 TYR 31 9.413 11.042 -1.773 221 HH TYR 31 HH TYR 31 8.337 13.676 -3.643 222 H SER 32 H SER 32 7.959 7.653 -3.790 223 HA SER 32 HA SER 32 6.883 8.453 -6.272 224 HB2 SER 32 1HB SER 32 9.654 7.379 -5.696 225 HB3 SER 32 2HB SER 32 9.175 8.376 -7.073 226 HG SER 32 HG SER 32 9.208 10.101 -5.849 227 H GLU 33 H GLU 33 7.396 5.378 -4.873 228 HA GLU 33 HA GLU 33 7.387 4.015 -7.458 229 HB2 GLU 33 1HB GLU 33 8.012 3.173 -4.652 230 HB3 GLU 33 2HB GLU 33 7.617 1.969 -5.867 231 HG2 GLU 33 1HG GLU 33 10.040 2.305 -5.557 232 HG3 GLU 33 2HG GLU 33 9.497 2.605 -7.205 233 H ILE 34 H ILE 34 5.212 5.090 -5.177 234 HA ILE 34 HA ILE 34 3.441 2.853 -5.163 235 HB ILE 34 HB ILE 34 2.977 5.712 -4.325 236 HG12 ILE 34 1HG1 ILE 34 3.508 3.197 -2.729 237 HG13 ILE 34 2HG1 ILE 34 4.641 4.520 -2.974 238 HG21 ILE 34 1HG2 ILE 34 0.971 4.872 -3.182 239 HG22 ILE 34 2HG2 ILE 34 1.235 3.284 -3.904 240 HG23 ILE 34 3HG2 ILE 34 0.864 4.668 -4.932 241 HD11 ILE 34 1HD1 ILE 34 2.013 4.700 -1.528 242 HD12 ILE 34 2HD1 ILE 34 3.156 6.020 -1.762 243 HD13 ILE 34 3HD1 ILE 34 3.609 4.625 -0.779 244 H GLN 35 H GLN 35 1.793 2.391 -6.403 245 HA GLN 35 HA GLN 35 1.252 4.149 -8.697 246 HB2 GLN 35 1HB GLN 35 0.864 1.167 -8.446 247 HB3 GLN 35 2HB GLN 35 0.616 2.125 -9.898 248 HG2 GLN 35 1HG GLN 35 3.242 1.740 -8.490 249 HG3 GLN 35 2HG GLN 35 2.723 0.878 -9.934 250 HE21 GLN 35 1HE2 GLN 35 5.006 2.660 -9.453 251 HE22 GLN 35 2HE2 GLN 35 4.881 3.903 -10.646 252 H GLY 36 H GLY 36 -0.503 5.321 -8.066 253 HA2 GLY 36 1HA GLY 36 -2.841 3.790 -7.141 254 HA3 GLY 36 2HA GLY 36 -2.340 5.245 -6.294 255 H ASN 37 H ASN 37 -4.720 5.555 -6.915 256 HA ASN 37 HA ASN 37 -5.269 6.318 -9.635 257 HB2 ASN 37 1HB ASN 37 -7.494 6.940 -8.745 258 HB3 ASN 37 2HB ASN 37 -7.027 5.307 -8.289 259 HD21 ASN 37 1HD2 ASN 37 -8.935 7.165 -7.071 260 HD22 ASN 37 2HD2 ASN 37 -8.437 7.339 -5.425 261 H GLY 38 H GLY 38 -3.135 7.820 -8.771 262 HA2 GLY 38 1HA GLY 38 -2.690 10.127 -9.223 263 HA3 GLY 38 2HA GLY 38 -4.308 10.514 -8.654 264 H PHE 39 H PHE 39 -3.563 8.450 -6.434 265 HA PHE 39 HA PHE 39 -2.122 10.377 -4.747 266 HB2 PHE 39 1HB PHE 39 -4.196 8.306 -4.020 267 HB3 PHE 39 2HB PHE 39 -3.224 9.161 -2.828 268 HD1 PHE 39 HD1 PHE 39 -5.947 9.440 -5.254 269 HD2 PHE 39 HD2 PHE 39 -3.601 11.492 -2.358 270 HE1 PHE 39 HE1 PHE 39 -7.582 11.277 -5.237 271 HE2 PHE 39 HE2 PHE 39 -5.233 13.330 -2.332 272 HZ PHE 39 HZ PHE 39 -7.226 13.226 -3.773 273 H ARG 40 H ARG 40 -0.064 9.780 -4.636 274 HA ARG 40 HA ARG 40 0.672 6.974 -4.608 275 HB2 ARG 40 1HB ARG 40 2.384 9.455 -4.419 276 HB3 ARG 40 2HB ARG 40 2.986 7.811 -4.577 277 HG2 ARG 40 1HG ARG 40 1.764 7.646 -6.736 278 HG3 ARG 40 2HG ARG 40 1.378 9.360 -6.588 279 HD2 ARG 40 1HD ARG 40 3.776 9.877 -6.521 280 HD3 ARG 40 2HD ARG 40 4.141 8.162 -6.710 281 HE ARG 40 HE ARG 40 2.903 9.896 -8.742 282 HH11 ARG 40 1HH1 ARG 40 4.480 6.899 -7.862 283 HH12 ARG 40 2HH1 ARG 40 4.777 6.426 -9.502 284 HH21 ARG 40 1HH2 ARG 40 3.271 9.266 -10.900 285 HH22 ARG 40 2HH2 ARG 40 4.092 7.775 -11.233 286 H THR 41 H THR 41 -0.817 7.161 -2.561 287 HA THR 41 HA THR 41 0.968 7.332 -0.244 288 HB THR 41 HB THR 41 -0.999 8.164 1.086 289 HG1 THR 41 HG1 THR 41 -2.464 9.373 -0.614 290 HG21 THR 41 1HG2 THR 41 -0.025 9.952 -1.145 291 HG22 THR 41 2HG2 THR 41 0.780 9.685 0.403 292 HG23 THR 41 3HG2 THR 41 -0.786 10.500 0.351 293 H LEU 42 H LEU 42 0.307 6.007 1.539 294 HA LEU 42 HA LEU 42 -1.572 3.867 0.828 295 HB2 LEU 42 1HB LEU 42 1.103 3.650 2.197 296 HB3 LEU 42 2HB LEU 42 -0.089 2.369 2.219 297 HG LEU 42 HG LEU 42 1.280 3.465 -0.228 298 HD11 LEU 42 1HD1 LEU 42 1.540 0.780 1.106 299 HD12 LEU 42 2HD1 LEU 42 2.702 2.098 1.253 300 HD13 LEU 42 3HD1 LEU 42 2.413 1.347 -0.317 301 HD21 LEU 42 1HD2 LEU 42 -0.765 1.276 0.094 302 HD22 LEU 42 2HD2 LEU 42 0.187 1.547 -1.368 303 HD23 LEU 42 3HD2 LEU 42 -0.945 2.780 -0.813 304 H GLU 43 H GLU 43 -2.892 3.150 2.456 305 HA GLU 43 HA GLU 43 -3.024 4.896 4.789 306 HB2 GLU 43 1HB GLU 43 -5.000 2.900 3.679 307 HB3 GLU 43 2HB GLU 43 -5.273 3.887 5.107 308 HG2 GLU 43 1HG GLU 43 -4.890 4.864 2.290 309 HG3 GLU 43 2HG GLU 43 -6.390 4.863 3.215 310 H GLU 44 H GLU 44 -3.228 4.056 6.889 311 HA GLU 44 HA GLU 44 -1.431 1.928 7.395 312 HB2 GLU 44 1HB GLU 44 -1.850 3.968 8.826 313 HB3 GLU 44 2HB GLU 44 -3.342 3.201 9.341 314 HG2 GLU 44 1HG GLU 44 -2.123 1.378 10.310 315 HG3 GLU 44 2HG GLU 44 -0.604 2.024 9.697 316 H ASN 45 H ASN 45 -1.787 -0.149 7.575 317 HA ASN 45 HA ASN 45 -2.770 -2.169 7.790 318 HB2 ASN 45 1HB ASN 45 -4.929 -0.529 9.086 319 HB3 ASN 45 2HB ASN 45 -5.127 -2.257 8.821 320 HD21 ASN 45 1HD2 ASN 45 -3.469 0.195 10.598 321 HD22 ASN 45 2HD2 ASN 45 -2.716 -0.846 11.751 322 H GLN 46 H GLN 46 -2.955 -0.526 5.440 323 HA GLN 46 HA GLN 46 -5.414 -1.499 4.182 324 HB2 GLN 46 1HB GLN 46 -4.697 0.870 3.863 325 HB3 GLN 46 2HB GLN 46 -3.240 0.288 3.078 326 HG2 GLN 46 1HG GLN 46 -4.630 -0.779 1.353 327 HG3 GLN 46 2HG GLN 46 -6.061 -0.095 2.119 328 HE21 GLN 46 1HE2 GLN 46 -3.208 0.560 0.285 329 HE22 GLN 46 2HE2 GLN 46 -3.633 2.168 -0.191 330 H LYS 47 H LYS 47 -5.356 -2.939 2.454 331 HA LYS 47 HA LYS 47 -3.046 -4.629 2.305 332 HB2 LYS 47 1HB LYS 47 -5.610 -4.614 0.711 333 HB3 LYS 47 2HB LYS 47 -4.353 -5.829 0.543 334 HG2 LYS 47 1HG LYS 47 -5.959 -5.264 3.026 335 HG3 LYS 47 2HG LYS 47 -6.161 -6.639 1.942 336 HD2 LYS 47 1HD LYS 47 -3.633 -6.039 3.476 337 HD3 LYS 47 2HD LYS 47 -4.886 -7.149 4.026 338 HE2 LYS 47 1HE LYS 47 -3.389 -7.429 1.422 339 HE3 LYS 47 2HE LYS 47 -2.953 -8.260 2.910 340 HZ1 LYS 47 1HZ LYS 47 -5.495 -8.556 1.410 341 HZ2 LYS 47 2HZ LYS 47 -5.169 -9.290 2.896 342 HZ3 LYS 47 3HZ LYS 47 -4.258 -9.701 1.532 343 H VAL 48 H VAL 48 -1.801 -5.025 0.433 344 HA VAL 48 HA VAL 48 -1.847 -3.047 -1.671 345 HB VAL 48 HB VAL 48 -0.784 -1.862 0.202 346 HG11 VAL 48 1HG1 VAL 48 1.378 -2.574 1.054 347 HG12 VAL 48 2HG1 VAL 48 1.303 -4.024 0.051 348 HG13 VAL 48 3HG1 VAL 48 0.138 -3.794 1.357 349 HG21 VAL 48 1HG2 VAL 48 -0.138 -1.277 -2.050 350 HG22 VAL 48 2HG2 VAL 48 1.093 -2.540 -2.051 351 HG23 VAL 48 3HG2 VAL 48 1.249 -1.155 -0.968 352 H GLU 49 H GLU 49 -0.444 -3.525 -3.373 353 HA GLU 49 HA GLU 49 0.949 -6.115 -3.247 354 HB2 GLU 49 1HB GLU 49 -1.083 -6.312 -4.580 355 HB3 GLU 49 2HB GLU 49 -0.622 -4.911 -5.528 356 HG2 GLU 49 1HG GLU 49 1.369 -6.164 -6.308 357 HG3 GLU 49 2HG GLU 49 0.747 -7.584 -5.464 358 H PHE 50 H PHE 50 3.018 -6.125 -4.194 359 HA PHE 50 HA PHE 50 4.012 -3.700 -5.427 360 HB2 PHE 50 1HB PHE 50 5.720 -3.386 -3.573 361 HB3 PHE 50 2HB PHE 50 4.065 -2.935 -3.174 362 HD1 PHE 50 HD1 PHE 50 2.689 -4.416 -1.754 363 HD2 PHE 50 HD2 PHE 50 6.830 -5.147 -2.414 364 HE1 PHE 50 HE1 PHE 50 2.721 -5.934 0.173 365 HE2 PHE 50 HE2 PHE 50 6.865 -6.668 -0.481 366 HZ PHE 50 HZ PHE 50 4.809 -7.064 0.812 367 H GLU 51 H GLU 51 6.266 -3.838 -6.015 368 HA GLU 51 HA GLU 51 7.212 -6.615 -6.235 369 HB2 GLU 51 1HB GLU 51 6.858 -5.340 -8.361 370 HB3 GLU 51 2HB GLU 51 8.084 -4.195 -7.828 371 HG2 GLU 51 1HG GLU 51 8.996 -5.800 -9.406 372 HG3 GLU 51 2HG GLU 51 9.752 -5.958 -7.821 373 H ILE 52 H ILE 52 8.788 -7.159 -4.879 374 HA ILE 52 HA ILE 52 9.990 -5.138 -3.238 375 HB ILE 52 HB ILE 52 10.461 -8.115 -3.291 376 HG12 ILE 52 1HG1 ILE 52 8.792 -6.407 -1.439 377 HG13 ILE 52 2HG1 ILE 52 8.154 -7.448 -2.706 378 HG21 ILE 52 1HG2 ILE 52 11.285 -6.039 -1.270 379 HG22 ILE 52 2HG2 ILE 52 12.360 -6.933 -2.344 380 HG23 ILE 52 3HG2 ILE 52 11.472 -7.782 -1.080 381 HD11 ILE 52 1HD1 ILE 52 7.950 -8.492 -0.533 382 HD12 ILE 52 2HD1 ILE 52 9.690 -8.345 -0.283 383 HD13 ILE 52 3HD1 ILE 52 9.068 -9.395 -1.556 384 H GLY 53 H GLY 53 11.701 -4.042 -3.751 385 HA2 GLY 53 1HA GLY 53 13.847 -5.365 -5.291 386 HA3 GLY 53 2HA GLY 53 13.534 -3.633 -5.331 387 H GLU 54 H GLU 54 15.812 -3.438 -4.719 388 HA GLU 54 HA GLU 54 16.254 -4.008 -1.868 389 HB2 GLU 54 1HB GLU 54 17.841 -5.146 -3.326 390 HB3 GLU 54 2HB GLU 54 18.262 -3.623 -4.092 391 HG2 GLU 54 1HG GLU 54 19.963 -4.322 -2.504 392 HG3 GLU 54 2HG GLU 54 19.206 -2.810 -2.009 393 H GLY 55 H GLY 55 16.557 -2.369 -0.512 394 HA2 GLY 55 1HA GLY 55 16.527 0.336 -1.685 395 HA3 GLY 55 2HA GLY 55 15.771 -0.099 -0.163 396 H ALA 56 H ALA 56 16.937 1.660 0.755 397 HA ALA 56 HA ALA 56 19.772 1.787 0.726 398 HB1 ALA 56 1HB ALA 56 18.357 3.750 1.097 399 HB2 ALA 56 2HB ALA 56 19.521 3.525 2.403 400 HB3 ALA 56 3HB ALA 56 17.832 3.074 2.639 401 H LYS 57 H LYS 57 17.426 0.630 3.132 402 HA LYS 57 HA LYS 57 19.593 -0.890 4.392 403 HB2 LYS 57 1HB LYS 57 17.623 0.901 5.801 404 HB3 LYS 57 2HB LYS 57 18.527 -0.356 6.630 405 HG2 LYS 57 1HG LYS 57 19.760 1.940 5.124 406 HG3 LYS 57 2HG LYS 57 19.529 1.880 6.872 407 HD2 LYS 57 1HD LYS 57 20.933 -0.165 6.936 408 HD3 LYS 57 2HD LYS 57 21.235 0.028 5.210 409 HE2 LYS 57 1HE LYS 57 23.087 0.928 6.491 410 HE3 LYS 57 2HE LYS 57 22.243 2.221 5.641 411 HZ1 LYS 57 1HZ LYS 57 21.128 2.815 7.678 412 HZ2 LYS 57 2HZ LYS 57 22.798 2.817 7.926 413 HZ3 LYS 57 3HZ LYS 57 21.862 1.535 8.501 414 H GLY 58 H GLY 58 17.779 -1.879 2.578 415 HA2 GLY 58 1HA GLY 58 16.979 -4.245 3.299 416 HA3 GLY 58 2HA GLY 58 15.773 -3.306 4.172 417 HA PRO 59 HA PRO 59 14.557 -4.436 -0.339 418 HB2 PRO 59 1HB PRO 59 12.132 -5.480 0.545 419 HB3 PRO 59 2HB PRO 59 13.551 -6.422 0.085 420 HG2 PRO 59 1HG PRO 59 12.623 -5.581 2.793 421 HG3 PRO 59 2HG PRO 59 13.337 -7.120 2.279 422 HD2 PRO 59 1HD PRO 59 14.799 -5.332 3.596 423 HD3 PRO 59 2HD PRO 59 15.497 -6.242 2.238 424 H GLN 60 H GLN 60 13.169 -3.230 -1.529 425 HA GLN 60 HA GLN 60 11.478 -1.324 -0.055 426 HB2 GLN 60 1HB GLN 60 11.951 0.360 -1.759 427 HB3 GLN 60 2HB GLN 60 13.430 -0.165 -0.970 428 HG2 GLN 60 1HG GLN 60 14.040 -1.502 -2.861 429 HG3 GLN 60 2HG GLN 60 12.483 -1.203 -3.630 430 HE21 GLN 60 1HE2 GLN 60 12.468 1.598 -2.810 431 HE22 GLN 60 2HE2 GLN 60 13.577 2.407 -3.856 432 H ALA 61 H ALA 61 9.481 -0.915 -0.835 433 HA ALA 61 HA ALA 61 8.399 -2.837 -2.697 434 HB1 ALA 61 1HB ALA 61 6.240 -1.814 -2.145 435 HB2 ALA 61 2HB ALA 61 7.074 -0.563 -1.222 436 HB3 ALA 61 3HB ALA 61 7.145 -2.245 -0.693 437 H GLN 62 H GLN 62 8.437 -2.535 -4.799 438 HA GLN 62 HA GLN 62 8.377 0.217 -5.848 439 HB2 GLN 62 1HB GLN 62 9.359 -2.276 -7.235 440 HB3 GLN 62 2HB GLN 62 9.489 -0.625 -7.824 441 HG2 GLN 62 1HG GLN 62 10.982 -0.089 -5.962 442 HG3 GLN 62 2HG GLN 62 10.867 -1.757 -5.402 443 HE21 GLN 62 1HE2 GLN 62 11.754 -3.407 -6.686 444 HE22 GLN 62 2HE2 GLN 62 13.001 -3.071 -7.834 445 H GLN 63 H GLN 63 7.057 0.616 -7.698 446 HA GLN 63 HA GLN 63 5.048 0.573 -8.759 447 HB2 GLN 63 1HB GLN 63 5.779 -2.349 -8.958 448 HB3 GLN 63 2HB GLN 63 4.412 -1.636 -9.793 449 HG2 GLN 63 1HG GLN 63 6.077 -1.719 -11.405 450 HG3 GLN 63 2HG GLN 63 6.113 -0.050 -10.845 451 HE21 GLN 63 1HE2 GLN 63 7.919 0.721 -9.838 452 HE22 GLN 63 2HE2 GLN 63 9.383 -0.181 -9.689 453 H VAL 64 H VAL 64 4.646 0.828 -6.210 454 HA VAL 64 HA VAL 64 3.373 -1.371 -4.909 455 HB VAL 64 HB VAL 64 3.194 1.478 -3.985 456 HG11 VAL 64 1HG1 VAL 64 3.379 -1.152 -2.547 457 HG12 VAL 64 2HG1 VAL 64 1.957 -0.118 -2.692 458 HG13 VAL 64 3HG1 VAL 64 3.358 0.429 -1.768 459 HG21 VAL 64 1HG2 VAL 64 5.580 -0.341 -3.712 460 HG22 VAL 64 2HG2 VAL 64 5.364 1.189 -2.861 461 HG23 VAL 64 3HG2 VAL 64 5.510 1.171 -4.619 462 H HIS 65 H HIS 65 1.535 -2.016 -5.845 463 HA HIS 65 HA HIS 65 -0.516 -0.156 -6.692 464 HB2 HIS 65 1HB HIS 65 -0.679 -3.165 -6.449 465 HB3 HIS 65 2HB HIS 65 -1.788 -2.129 -7.323 466 HD1 HIS 65 HD1 HIS 65 0.216 -4.585 -8.305 467 HD2 HIS 65 HD2 HIS 65 0.384 -0.519 -9.161 468 HE1 HIS 65 HE1 HIS 65 1.531 -4.391 -10.437 469 HE2 HIS 65 HE2 HIS 65 1.410 -1.950 -11.047 470 H ALA 66 H ALA 66 -1.659 0.810 -5.139 471 HA ALA 66 HA ALA 66 -2.011 -0.325 -2.547 472 HB1 ALA 66 1HB ALA 66 -3.402 1.623 -2.095 473 HB2 ALA 66 2HB ALA 66 -3.408 2.030 -3.813 474 HB3 ALA 66 3HB ALA 66 -1.902 2.095 -2.896 475 H LEU 67 H LEU 67 -3.355 -1.917 -2.096 476 HA LEU 67 HA LEU 67 -5.511 -2.570 -3.912 477 HB2 LEU 67 1HB LEU 67 -4.575 -3.918 -1.379 478 HB3 LEU 67 2HB LEU 67 -5.797 -4.553 -2.461 479 HG LEU 67 HG LEU 67 -2.875 -4.150 -3.098 480 HD11 LEU 67 1HD1 LEU 67 -2.810 -6.572 -3.234 481 HD12 LEU 67 2HD1 LEU 67 -4.518 -6.657 -2.805 482 HD13 LEU 67 3HD1 LEU 67 -3.345 -6.052 -1.636 483 HD21 LEU 67 1HD2 LEU 67 -4.231 -3.702 -5.065 484 HD22 LEU 67 2HD2 LEU 67 -5.100 -5.219 -4.831 485 HD23 LEU 67 3HD2 LEU 67 -3.383 -5.239 -5.232 486 H GLY 68 H GLY 68 -6.253 -0.269 -3.115 487 HA2 GLY 68 1HA GLY 68 -8.032 -0.635 -0.792 488 HA3 GLY 68 2HA GLY 68 -7.397 0.916 -1.324 489 H GLY 69 H GLY 69 -10.147 0.089 -0.891 490 HA2 GLY 69 1HA GLY 69 -11.251 1.223 -3.279 491 HA3 GLY 69 2HA GLY 69 -11.658 -0.477 -3.093 492 H GLU 70 H GLU 70 -12.315 -0.977 -0.706 493 HA GLU 70 HA GLU 70 -14.017 -0.890 0.789 494 HB2 GLU 70 1HB GLU 70 -12.467 0.926 1.640 495 HB3 GLU 70 2HB GLU 70 -13.518 2.088 0.842 496 HG2 GLU 70 1HG GLU 70 -15.409 1.157 2.208 497 HG3 GLU 70 2HG GLU 70 -14.202 0.247 3.115 498 H ASN 71 H ASN 71 -15.457 -1.466 -0.937 499 HA ASN 71 HA ASN 71 -17.435 -1.344 -2.031 500 HB2 ASN 71 1HB ASN 71 -17.666 1.415 -0.809 501 HB3 ASN 71 2HB ASN 71 -18.924 0.641 -1.763 502 HD21 ASN 71 1HD2 ASN 71 -17.281 0.747 1.267 503 HD22 ASN 71 2HD2 ASN 71 -18.347 -0.316 2.122 504 H LEU 72 H LEU 72 -16.030 1.914 -2.192 505 HA LEU 72 HA LEU 72 -15.213 3.169 -3.878 506 HB2 LEU 72 1HB LEU 72 -14.017 0.942 -4.357 507 HB3 LEU 72 2HB LEU 72 -15.187 0.732 -5.639 508 HG LEU 72 HG LEU 72 -12.955 1.618 -6.363 509 HD11 LEU 72 1HD1 LEU 72 -14.933 1.912 -7.759 510 HD12 LEU 72 2HD1 LEU 72 -13.842 3.290 -7.887 511 HD13 LEU 72 3HD1 LEU 72 -15.308 3.415 -6.917 512 HD21 LEU 72 1HD2 LEU 72 -12.596 3.073 -4.401 513 HD22 LEU 72 2HD2 LEU 72 -13.864 4.145 -4.998 514 HD23 LEU 72 3HD2 LEU 72 -12.389 3.914 -5.936 515 H TYR 73 H TYR 73 -17.041 0.833 -5.847 516 HA TYR 73 HA TYR 73 -18.638 3.093 -6.824 517 HB2 TYR 73 1HB TYR 73 -17.384 1.784 -8.530 518 HB3 TYR 73 2HB TYR 73 -18.297 0.353 -8.066 519 HD1 TYR 73 HD1 TYR 73 -20.324 -0.122 -9.115 520 HD2 TYR 73 HD2 TYR 73 -18.738 3.811 -9.385 521 HE1 TYR 73 HE1 TYR 73 -22.090 0.468 -10.715 522 HE2 TYR 73 HE2 TYR 73 -20.502 4.417 -10.990 523 HH TYR 73 HH TYR 73 -23.249 2.515 -11.491 524 H PHE 74 H PHE 74 -19.847 3.022 -4.865 525 HA PHE 74 HA PHE 74 -22.270 1.553 -5.182 526 HB2 PHE 74 1HB PHE 74 -20.981 -0.193 -4.053 527 HB3 PHE 74 2HB PHE 74 -20.520 0.938 -2.788 528 HD1 PHE 74 HD1 PHE 74 -21.781 1.089 -0.857 529 HD2 PHE 74 HD2 PHE 74 -23.511 -0.617 -4.349 530 HE1 PHE 74 HE1 PHE 74 -23.777 0.466 0.439 531 HE2 PHE 74 HE2 PHE 74 -25.510 -1.242 -3.060 532 HZ PHE 74 HZ PHE 74 -25.644 -0.701 -0.661 533 H GLN 75 H GLN 75 -23.891 2.763 -4.398 534 HA GLN 75 HA GLN 75 -23.152 5.008 -2.652 535 HB2 GLN 75 1HB GLN 75 -25.382 4.776 -4.676 536 HB3 GLN 75 2HB GLN 75 -25.191 6.128 -3.570 537 HG2 GLN 75 1HG GLN 75 -23.190 5.283 -5.652 538 HG3 GLN 75 2HG GLN 75 -24.325 6.623 -5.805 539 HE21 GLN 75 1HE2 GLN 75 -21.442 5.471 -4.246 540 HE22 GLN 75 2HE2 GLN 75 -20.926 6.994 -3.614 541 H GLY 76 H GLY 76 -23.432 3.974 -0.711 542 HA2 GLY 76 1HA GLY 76 -25.867 2.557 -0.087 543 HA3 GLY 76 2HA GLY 76 -24.563 2.944 1.031 544 H HIS 77 H HIS 77 -27.011 4.623 -0.904 545 HA HIS 77 HA HIS 77 -27.652 6.272 1.448 546 HB2 HIS 77 1HB HIS 77 -26.169 7.338 -0.453 547 HB3 HIS 77 2HB HIS 77 -27.699 7.442 -1.316 548 HD1 HIS 77 HD1 HIS 77 -25.644 9.180 1.118 549 HD2 HIS 77 HD2 HIS 77 -29.679 9.071 0.125 550 HE1 HIS 77 HE1 HIS 77 -26.647 11.237 2.145 551 HE2 HIS 77 HE2 HIS 77 -29.055 11.235 1.412 552 H HIS 78 H HIS 78 -29.805 6.511 1.787 553 HA HIS 78 HA HIS 78 -31.600 4.825 0.387 554 HB2 HIS 78 1HB HIS 78 -31.787 5.512 2.812 555 HB3 HIS 78 2HB HIS 78 -32.334 7.088 2.253 556 HD1 HIS 78 HD1 HIS 78 -34.771 7.176 2.687 557 HD2 HIS 78 HD2 HIS 78 -33.599 3.488 1.173 558 HE1 HIS 78 HE1 HIS 78 -36.891 5.882 2.344 559 HE2 HIS 78 HE2 HIS 78 -36.170 3.741 1.243 560 H HIS 79 H HIS 79 -32.677 5.193 -1.432 561 HA HIS 79 HA HIS 79 -32.291 7.711 -2.782 562 HB2 HIS 79 1HB HIS 79 -33.629 5.151 -3.672 563 HB3 HIS 79 2HB HIS 79 -33.377 6.554 -4.706 564 HD1 HIS 79 HD1 HIS 79 -31.895 3.426 -3.953 565 HD2 HIS 79 HD2 HIS 79 -30.422 7.235 -4.718 566 HE1 HIS 79 HE1 HIS 79 -29.483 3.101 -4.597 567 HE2 HIS 79 HE2 HIS 79 -28.573 5.438 -4.883 568 H HIS 80 H HIS 80 -33.927 7.962 -0.560 569 HA HIS 80 HA HIS 80 -36.072 9.431 -1.711 570 HB2 HIS 80 1HB HIS 80 -36.991 7.040 -1.589 571 HB3 HIS 80 2HB HIS 80 -36.910 7.204 0.161 572 HD1 HIS 80 HD1 HIS 80 -38.889 8.254 1.267 573 HD2 HIS 80 HD2 HIS 80 -38.789 9.004 -2.819 574 HE1 HIS 80 HE1 HIS 80 -41.060 9.403 0.738 575 HE2 HIS 80 HE2 HIS 80 -40.888 10.017 -1.698 576 H HIS 81 H HIS 81 -33.948 10.264 -0.389 577 HA HIS 81 HA HIS 81 -34.998 11.274 2.116 578 HB2 HIS 81 1HB HIS 81 -33.909 9.096 2.709 579 HB3 HIS 81 2HB HIS 81 -32.393 9.730 2.081 580 HD1 HIS 81 HD1 HIS 81 -34.707 9.953 4.990 581 HD2 HIS 81 HD2 HIS 81 -31.125 11.636 3.724 582 HE1 HIS 81 HE1 HIS 81 -33.755 11.115 7.007 583 HE2 HIS 81 HE2 HIS 81 -31.653 12.227 6.185 584 H HIS 82 H HIS 82 -32.220 11.001 -0.048 585 HA HIS 82 HA HIS 82 -30.593 12.437 -0.687 586 HB2 HIS 82 1HB HIS 82 -32.775 14.460 -0.144 587 HB3 HIS 82 2HB HIS 82 -31.245 14.853 -0.919 588 HD1 HIS 82 HD1 HIS 82 -34.614 13.749 -1.650 589 HD2 HIS 82 HD2 HIS 82 -30.885 13.370 -3.445 590 HE1 HIS 82 HE1 HIS 82 -35.075 13.077 -4.028 591 HE2 HIS 82 HE2 HIS 82 -32.802 12.721 -5.056 Start of MODEL 4 1 H2 MET 1 2H MET 1 4.269 -8.688 -9.125 2 H MET 1 1H MET 1 3.058 -9.360 -8.157 3 H3 MET 1 3H MET 1 3.966 -8.052 -7.591 4 HA MET 1 HA MET 1 4.977 -10.773 -8.154 5 HB2 MET 1 1HB MET 1 6.601 -8.931 -8.613 6 HB3 MET 1 2HB MET 1 6.422 -8.412 -6.942 7 HG2 MET 1 1HG MET 1 7.269 -10.603 -6.199 8 HG3 MET 1 2HG MET 1 7.510 -11.055 -7.887 9 HE1 MET 1 1HE MET 1 9.879 -11.366 -5.959 10 HE2 MET 1 2HE MET 1 11.195 -10.574 -6.825 11 HE3 MET 1 3HE MET 1 10.046 -11.583 -7.702 12 H ALA 2 H ALA 2 4.709 -8.279 -5.609 13 HA ALA 2 HA ALA 2 4.032 -10.435 -3.721 14 HB1 ALA 2 1HB ALA 2 6.293 -9.607 -3.302 15 HB2 ALA 2 2HB ALA 2 5.205 -9.185 -1.979 16 HB3 ALA 2 3HB ALA 2 5.669 -7.963 -3.164 17 H GLN 3 H GLN 3 2.864 -9.644 -1.801 18 HA GLN 3 HA GLN 3 1.389 -7.154 -2.162 19 HB2 GLN 3 1HB GLN 3 0.090 -9.849 -1.771 20 HB3 GLN 3 2HB GLN 3 -0.735 -8.324 -1.507 21 HG2 GLN 3 1HG GLN 3 -0.412 -7.735 -3.841 22 HG3 GLN 3 2HG GLN 3 0.436 -9.255 -4.112 23 HE21 GLN 3 1HE2 GLN 3 -1.968 -8.260 -5.385 24 HE22 GLN 3 2HE2 GLN 3 -3.202 -9.431 -5.061 25 H GLY 4 H GLY 4 0.052 -6.741 -0.122 26 HA2 GLY 4 1HA GLY 4 0.529 -8.120 2.257 27 HA3 GLY 4 2HA GLY 4 1.765 -6.880 2.110 28 H THR 5 H THR 5 0.862 -6.009 4.030 29 HA THR 5 HA THR 5 -1.349 -4.164 3.421 30 HB THR 5 HB THR 5 -0.870 -5.526 6.085 31 HG1 THR 5 HG1 THR 5 -1.881 -6.954 4.661 32 HG21 THR 5 1HG2 THR 5 -3.033 -3.610 5.218 33 HG22 THR 5 2HG2 THR 5 -1.704 -3.236 6.316 34 HG23 THR 5 3HG2 THR 5 -2.934 -4.412 6.785 35 H VAL 6 H VAL 6 -0.660 -2.120 3.585 36 HA VAL 6 HA VAL 6 1.945 -1.512 4.460 37 HB VAL 6 HB VAL 6 1.168 -0.011 2.872 38 HG11 VAL 6 1HG1 VAL 6 -1.190 -0.510 3.024 39 HG12 VAL 6 2HG1 VAL 6 -0.923 1.233 3.021 40 HG13 VAL 6 3HG1 VAL 6 -1.302 0.402 4.529 41 HG21 VAL 6 1HG2 VAL 6 2.359 1.140 4.667 42 HG22 VAL 6 2HG2 VAL 6 0.829 1.424 5.503 43 HG23 VAL 6 3HG2 VAL 6 1.134 2.186 3.941 44 H LYS 7 H LYS 7 2.679 -1.493 6.376 45 HA LYS 7 HA LYS 7 1.109 -1.726 8.706 46 HB2 LYS 7 1HB LYS 7 3.399 -2.648 8.423 47 HB3 LYS 7 2HB LYS 7 4.032 -1.010 8.413 48 HG2 LYS 7 1HG LYS 7 3.045 -0.721 10.698 49 HG3 LYS 7 2HG LYS 7 2.710 -2.451 10.689 50 HD2 LYS 7 1HD LYS 7 5.417 -1.155 10.419 51 HD3 LYS 7 2HD LYS 7 4.800 -1.988 11.844 52 HE2 LYS 7 1HE LYS 7 4.614 -4.054 10.471 53 HE3 LYS 7 2HE LYS 7 5.388 -3.188 9.145 54 HZ1 LYS 7 1HZ LYS 7 7.302 -2.809 10.641 55 HZ2 LYS 7 2HZ LYS 7 7.035 -4.447 10.301 56 HZ3 LYS 7 3HZ LYS 7 6.565 -3.802 11.796 57 H TRP 8 H TRP 8 3.037 0.850 7.309 58 HA TRP 8 HA TRP 8 1.258 2.865 8.216 59 HB2 TRP 8 1HB TRP 8 2.779 4.102 9.662 60 HB3 TRP 8 2HB TRP 8 2.507 2.498 10.324 61 HD1 TRP 8 HD1 TRP 8 4.575 0.823 10.370 62 HE1 TRP 8 HE1 TRP 8 7.112 1.214 10.196 63 HE3 TRP 8 HE3 TRP 8 4.532 5.569 8.483 64 HZ2 TRP 8 HZ2 TRP 8 8.863 3.274 9.375 65 HZ3 TRP 8 HZ3 TRP 8 6.679 6.675 8.029 66 HH2 TRP 8 HH2 TRP 8 8.796 5.548 8.465 67 H PHE 9 H PHE 9 1.754 4.901 7.270 68 HA PHE 9 HA PHE 9 4.100 4.999 5.554 69 HB2 PHE 9 1HB PHE 9 2.285 4.015 4.166 70 HB3 PHE 9 2HB PHE 9 1.330 5.469 4.440 71 HD1 PHE 9 HD1 PHE 9 4.443 4.185 2.949 72 HD2 PHE 9 HD2 PHE 9 1.692 7.420 3.162 73 HE1 PHE 9 HE1 PHE 9 5.555 5.250 1.034 74 HE2 PHE 9 HE2 PHE 9 2.797 8.493 1.247 75 HZ PHE 9 HZ PHE 9 4.733 7.408 0.182 76 H ASN 10 H ASN 10 5.026 6.898 5.696 77 HA ASN 10 HA ASN 10 3.482 9.150 6.771 78 HB2 ASN 10 1HB ASN 10 5.633 8.445 7.876 79 HB3 ASN 10 2HB ASN 10 6.478 8.922 6.410 80 HD21 ASN 10 1HD2 ASN 10 6.739 9.939 9.106 81 HD22 ASN 10 2HD2 ASN 10 6.397 11.632 9.023 82 H ALA 11 H ALA 11 2.510 10.192 5.147 83 HA ALA 11 HA ALA 11 3.533 10.257 2.488 84 HB1 ALA 11 1HB ALA 11 1.298 11.858 3.717 85 HB2 ALA 11 2HB ALA 11 1.137 10.269 2.969 86 HB3 ALA 11 3HB ALA 11 1.610 11.660 1.992 87 H GLU 12 H GLU 12 3.958 12.239 5.256 88 HA GLU 12 HA GLU 12 4.560 14.691 3.944 89 HB2 GLU 12 1HB GLU 12 5.508 13.714 6.643 90 HB3 GLU 12 2HB GLU 12 5.484 15.381 6.086 91 HG2 GLU 12 1HG GLU 12 3.074 13.645 6.532 92 HG3 GLU 12 2HG GLU 12 3.659 14.903 7.620 93 H LYS 13 H LYS 13 6.405 11.940 5.057 94 HA LYS 13 HA LYS 13 8.904 13.124 4.143 95 HB2 LYS 13 1HB LYS 13 8.450 10.435 5.432 96 HB3 LYS 13 2HB LYS 13 9.982 11.274 5.245 97 HG2 LYS 13 1HG LYS 13 7.676 12.118 6.976 98 HG3 LYS 13 2HG LYS 13 9.209 11.439 7.520 99 HD2 LYS 13 1HD LYS 13 10.387 13.380 6.620 100 HD3 LYS 13 2HD LYS 13 8.856 14.051 6.060 101 HE2 LYS 13 1HE LYS 13 8.060 14.136 8.380 102 HE3 LYS 13 2HE LYS 13 9.613 13.505 8.923 103 HZ1 LYS 13 1HZ LYS 13 10.695 15.467 8.051 104 HZ2 LYS 13 2HZ LYS 13 9.477 15.914 9.136 105 HZ3 LYS 13 3HZ LYS 13 9.221 16.064 7.473 106 H GLY 14 H GLY 14 6.612 10.634 3.353 107 HA2 GLY 14 1HA GLY 14 6.212 9.927 1.147 108 HA3 GLY 14 2HA GLY 14 7.832 10.438 0.709 109 H PHE 15 H PHE 15 7.439 8.501 3.565 110 HA PHE 15 HA PHE 15 7.951 6.060 2.073 111 HB2 PHE 15 1HB PHE 15 9.979 5.483 3.174 112 HB3 PHE 15 2HB PHE 15 10.184 7.113 2.554 113 HD1 PHE 15 HD1 PHE 15 10.251 9.027 4.105 114 HD2 PHE 15 HD2 PHE 15 9.998 5.017 5.511 115 HE1 PHE 15 HE1 PHE 15 10.970 9.764 6.341 116 HE2 PHE 15 HE2 PHE 15 10.710 5.750 7.745 117 HZ PHE 15 HZ PHE 15 11.198 8.126 8.163 118 H GLY 16 H GLY 16 8.012 4.137 3.519 119 HA2 GLY 16 1HA GLY 16 6.969 4.263 6.155 120 HA3 GLY 16 2HA GLY 16 5.683 3.919 5.004 121 H PHE 17 H PHE 17 5.559 1.873 6.244 122 HA PHE 17 HA PHE 17 7.329 -0.092 4.974 123 HB2 PHE 17 1HB PHE 17 6.847 0.232 7.905 124 HB3 PHE 17 2HB PHE 17 7.064 -1.388 7.250 125 HD1 PHE 17 HD1 PHE 17 8.672 1.792 7.993 126 HD2 PHE 17 HD2 PHE 17 9.179 -2.070 6.291 127 HE1 PHE 17 HE1 PHE 17 11.112 2.088 8.066 128 HE2 PHE 17 HE2 PHE 17 11.619 -1.785 6.354 129 HZ PHE 17 HZ PHE 17 12.590 0.297 7.245 130 H ILE 18 H ILE 18 6.383 -1.904 4.324 131 HA ILE 18 HA ILE 18 3.521 -2.243 4.915 132 HB ILE 18 HB ILE 18 5.132 -3.124 2.518 133 HG12 ILE 18 1HG1 ILE 18 2.691 -1.372 2.590 134 HG13 ILE 18 2HG1 ILE 18 4.328 -0.733 2.667 135 HG21 ILE 18 1HG2 ILE 18 3.596 -4.892 3.068 136 HG22 ILE 18 2HG2 ILE 18 3.040 -4.046 1.622 137 HG23 ILE 18 3HG2 ILE 18 2.264 -3.740 3.176 138 HD11 ILE 18 1HD1 ILE 18 3.429 -0.631 0.408 139 HD12 ILE 18 2HD1 ILE 18 3.183 -2.380 0.423 140 HD13 ILE 18 3HD1 ILE 18 4.818 -1.716 0.493 141 H ALA 19 H ALA 19 2.782 -4.220 5.582 142 HA ALA 19 HA ALA 19 4.802 -6.215 6.297 143 HB1 ALA 19 1HB ALA 19 1.888 -6.034 7.068 144 HB2 ALA 19 2HB ALA 19 3.249 -5.519 8.064 145 HB3 ALA 19 3HB ALA 19 3.043 -7.226 7.666 146 HA PRO 20 HA PRO 20 3.471 -7.857 2.249 147 HB2 PRO 20 1HB PRO 20 5.720 -9.667 2.909 148 HB3 PRO 20 2HB PRO 20 5.395 -8.769 1.427 149 HG2 PRO 20 1HG PRO 20 7.301 -7.975 3.100 150 HG3 PRO 20 2HG PRO 20 6.265 -6.797 2.274 151 HD2 PRO 20 1HD PRO 20 6.163 -7.762 5.094 152 HD3 PRO 20 2HD PRO 20 5.896 -6.134 4.452 153 H ASP 21 H ASP 21 2.253 -9.533 1.714 154 HA ASP 21 HA ASP 21 1.387 -11.432 3.681 155 HB2 ASP 21 1HB ASP 21 -0.221 -10.644 2.075 156 HB3 ASP 21 2HB ASP 21 0.815 -11.108 0.732 157 H ASP 22 H ASP 22 3.958 -11.195 1.588 158 HA ASP 22 HA ASP 22 4.318 -13.956 0.941 159 HB2 ASP 22 1HB ASP 22 6.084 -11.534 0.635 160 HB3 ASP 22 2HB ASP 22 6.571 -13.149 0.125 161 H GLY 23 H GLY 23 4.153 -13.159 3.800 162 HA2 GLY 23 1HA GLY 23 5.073 -14.499 5.550 163 HA3 GLY 23 2HA GLY 23 6.588 -14.557 4.665 164 H SER 24 H SER 24 5.152 -11.529 4.665 165 HA SER 24 HA SER 24 5.749 -9.529 5.519 166 HB2 SER 24 1HB SER 24 5.520 -9.461 8.050 167 HB3 SER 24 2HB SER 24 4.147 -10.086 7.141 168 HG SER 24 HG SER 24 6.022 -11.964 7.931 169 H ALA 25 H ALA 25 7.864 -9.358 4.704 170 HA ALA 25 HA ALA 25 10.005 -9.901 6.618 171 HB1 ALA 25 1HB ALA 25 10.352 -10.726 4.357 172 HB2 ALA 25 2HB ALA 25 11.538 -9.485 4.761 173 HB3 ALA 25 3HB ALA 25 10.168 -9.092 3.723 174 H ASP 26 H ASP 26 7.933 -7.550 6.276 175 HA ASP 26 HA ASP 26 7.799 -5.314 6.592 176 HB2 ASP 26 1HB ASP 26 10.552 -5.656 7.797 177 HB3 ASP 26 2HB ASP 26 9.552 -4.214 7.942 178 H VAL 27 H VAL 27 7.731 -4.711 4.475 179 HA VAL 27 HA VAL 27 10.261 -4.215 3.104 180 HB VAL 27 HB VAL 27 8.549 -5.555 1.944 181 HG11 VAL 27 1HG1 VAL 27 6.944 -3.018 1.972 182 HG12 VAL 27 2HG1 VAL 27 6.553 -4.521 2.817 183 HG13 VAL 27 3HG1 VAL 27 6.549 -4.472 1.051 184 HG21 VAL 27 1HG2 VAL 27 8.619 -4.361 -0.190 185 HG22 VAL 27 2HG2 VAL 27 10.176 -4.345 0.639 186 HG23 VAL 27 3HG2 VAL 27 9.154 -2.908 0.656 187 H PHE 28 H PHE 28 10.952 -2.264 2.512 188 HA PHE 28 HA PHE 28 9.783 0.025 3.830 189 HB2 PHE 28 1HB PHE 28 12.198 -0.314 3.857 190 HB3 PHE 28 2HB PHE 28 12.242 -0.293 2.100 191 HD1 PHE 28 HD1 PHE 28 11.684 1.766 5.104 192 HD2 PHE 28 HD2 PHE 28 12.317 1.737 0.896 193 HE1 PHE 28 HE1 PHE 28 12.080 4.192 5.149 194 HE2 PHE 28 HE2 PHE 28 12.712 4.164 0.934 195 HZ PHE 28 HZ PHE 28 12.596 5.395 3.064 196 H VAL 29 H VAL 29 8.500 1.506 2.911 197 HA VAL 29 HA VAL 29 7.999 1.260 0.027 198 HB VAL 29 HB VAL 29 6.328 2.976 1.803 199 HG11 VAL 29 1HG1 VAL 29 5.700 1.240 -0.575 200 HG12 VAL 29 2HG1 VAL 29 5.927 2.988 -0.596 201 HG13 VAL 29 3HG1 VAL 29 4.557 2.286 0.266 202 HG21 VAL 29 1HG2 VAL 29 4.930 1.104 2.428 203 HG22 VAL 29 2HG2 VAL 29 6.572 0.882 3.037 204 HG23 VAL 29 3HG2 VAL 29 6.030 -0.011 1.614 205 H HIS 30 H HIS 30 8.097 2.992 -1.340 206 HA HIS 30 HA HIS 30 8.904 5.588 -0.246 207 HB2 HIS 30 1HB HIS 30 10.917 4.368 -1.060 208 HB3 HIS 30 2HB HIS 30 10.170 4.246 -2.648 209 HD1 HIS 30 HD1 HIS 30 11.224 5.836 -4.185 210 HD2 HIS 30 HD2 HIS 30 10.896 7.399 -0.343 211 HE1 HIS 30 HE1 HIS 30 12.209 8.156 -4.305 212 HE2 HIS 30 HE2 HIS 30 12.187 8.990 -1.927 213 H TYR 31 H TYR 31 7.743 7.200 -1.062 214 HA TYR 31 HA TYR 31 5.342 6.676 -2.313 215 HB2 TYR 31 1HB TYR 31 4.958 9.021 -2.347 216 HB3 TYR 31 2HB TYR 31 5.928 8.684 -0.920 217 HD1 TYR 31 HD1 TYR 31 5.644 10.617 -3.897 218 HD2 TYR 31 HD2 TYR 31 8.460 9.094 -1.098 219 HE1 TYR 31 HE1 TYR 31 7.280 12.294 -4.637 220 HE2 TYR 31 HE2 TYR 31 10.100 10.766 -1.827 221 HH TYR 31 HH TYR 31 10.562 12.128 -3.855 222 H SER 32 H SER 32 8.386 7.485 -3.829 223 HA SER 32 HA SER 32 7.329 8.332 -6.312 224 HB2 SER 32 1HB SER 32 10.044 7.122 -5.739 225 HB3 SER 32 2HB SER 32 9.608 8.120 -7.129 226 HG SER 32 HG SER 32 9.315 9.864 -5.765 227 H GLU 33 H GLU 33 7.804 5.235 -4.895 228 HA GLU 33 HA GLU 33 7.646 3.869 -7.459 229 HB2 GLU 33 1HB GLU 33 8.210 3.005 -4.649 230 HB3 GLU 33 2HB GLU 33 7.702 1.823 -5.844 231 HG2 GLU 33 1HG GLU 33 10.137 1.928 -5.593 232 HG3 GLU 33 2HG GLU 33 9.610 2.326 -7.224 233 H ILE 34 H ILE 34 5.551 5.122 -5.193 234 HA ILE 34 HA ILE 34 3.583 3.062 -5.192 235 HB ILE 34 HB ILE 34 3.353 5.974 -4.445 236 HG12 ILE 34 1HG1 ILE 34 3.613 3.474 -2.761 237 HG13 ILE 34 2HG1 ILE 34 4.862 4.690 -3.002 238 HG21 ILE 34 1HG2 ILE 34 1.392 3.724 -4.020 239 HG22 ILE 34 2HG2 ILE 34 1.178 5.111 -5.090 240 HG23 ILE 34 3HG2 ILE 34 1.250 5.347 -3.341 241 HD11 ILE 34 1HD1 ILE 34 3.810 4.987 -0.857 242 HD12 ILE 34 2HD1 ILE 34 2.223 5.086 -1.620 243 HD13 ILE 34 3HD1 ILE 34 3.418 6.349 -1.907 244 H GLN 35 H GLN 35 2.072 2.638 -6.563 245 HA GLN 35 HA GLN 35 1.604 4.460 -8.821 246 HB2 GLN 35 1HB GLN 35 1.010 1.502 -8.585 247 HB3 GLN 35 2HB GLN 35 0.829 2.488 -10.029 248 HG2 GLN 35 1HG GLN 35 3.437 1.976 -8.631 249 HG3 GLN 35 2HG GLN 35 2.853 1.069 -10.023 250 HE21 GLN 35 1HE2 GLN 35 5.217 2.798 -9.629 251 HE22 GLN 35 2HE2 GLN 35 5.134 3.975 -10.888 252 H GLY 36 H GLY 36 0.087 5.760 -7.753 253 HA2 GLY 36 1HA GLY 36 -2.093 4.416 -6.339 254 HA3 GLY 36 2HA GLY 36 -1.662 6.112 -6.197 255 H ASN 37 H ASN 37 -3.969 6.406 -6.394 256 HA ASN 37 HA ASN 37 -4.935 6.245 -9.169 257 HB2 ASN 37 1HB ASN 37 -7.229 6.412 -8.098 258 HB3 ASN 37 2HB ASN 37 -6.353 4.920 -7.782 259 HD21 ASN 37 1HD2 ASN 37 -7.568 4.521 -5.939 260 HD22 ASN 37 2HD2 ASN 37 -7.320 5.401 -4.469 261 H GLY 38 H GLY 38 -3.262 8.312 -8.503 262 HA2 GLY 38 1HA GLY 38 -3.754 10.620 -9.296 263 HA3 GLY 38 2HA GLY 38 -5.093 10.610 -8.155 264 H PHE 39 H PHE 39 -3.471 9.110 -6.201 265 HA PHE 39 HA PHE 39 -1.508 11.157 -5.425 266 HB2 PHE 39 1HB PHE 39 -3.458 9.701 -3.628 267 HB3 PHE 39 2HB PHE 39 -2.108 10.664 -3.043 268 HD1 PHE 39 HD1 PHE 39 -5.495 10.699 -4.238 269 HD2 PHE 39 HD2 PHE 39 -2.070 13.121 -3.528 270 HE1 PHE 39 HE1 PHE 39 -6.910 12.709 -4.288 271 HE2 PHE 39 HE2 PHE 39 -3.481 15.136 -3.577 272 HZ PHE 39 HZ PHE 39 -5.904 14.931 -3.957 273 H ARG 40 H ARG 40 0.407 10.392 -4.631 274 HA ARG 40 HA ARG 40 0.804 7.498 -4.758 275 HB2 ARG 40 1HB ARG 40 2.814 9.751 -4.581 276 HB3 ARG 40 2HB ARG 40 3.217 8.044 -4.708 277 HG2 ARG 40 1HG ARG 40 2.097 7.950 -6.884 278 HG3 ARG 40 2HG ARG 40 1.727 9.669 -6.756 279 HD2 ARG 40 1HD ARG 40 4.153 10.141 -6.643 280 HD3 ARG 40 2HD ARG 40 4.468 8.422 -6.883 281 HE ARG 40 HE ARG 40 2.787 9.414 -8.932 282 HH11 ARG 40 1HH1 ARG 40 6.120 9.493 -7.867 283 HH12 ARG 40 2HH1 ARG 40 6.756 9.714 -9.463 284 HH21 ARG 40 1HH2 ARG 40 3.623 9.720 -11.032 285 HH22 ARG 40 2HH2 ARG 40 5.336 9.866 -11.258 286 H THR 41 H THR 41 -0.603 7.639 -2.745 287 HA THR 41 HA THR 41 1.144 7.725 -0.400 288 HB THR 41 HB THR 41 -0.820 8.698 0.889 289 HG1 THR 41 HG1 THR 41 -1.861 10.118 -1.101 290 HG21 THR 41 1HG2 THR 41 0.515 10.430 -1.190 291 HG22 THR 41 2HG2 THR 41 1.176 10.006 0.390 292 HG23 THR 41 3HG2 THR 41 -0.270 11.011 0.279 293 H LEU 42 H LEU 42 0.373 6.476 1.378 294 HA LEU 42 HA LEU 42 -1.637 4.460 0.658 295 HB2 LEU 42 1HB LEU 42 0.990 4.100 2.090 296 HB3 LEU 42 2HB LEU 42 -0.276 2.888 2.092 297 HG LEU 42 HG LEU 42 1.130 3.912 -0.369 298 HD11 LEU 42 1HD1 LEU 42 2.248 1.767 -0.412 299 HD12 LEU 42 2HD1 LEU 42 1.439 1.293 1.082 300 HD13 LEU 42 3HD1 LEU 42 2.606 2.616 1.092 301 HD21 LEU 42 1HD2 LEU 42 0.036 1.961 -1.445 302 HD22 LEU 42 2HD2 LEU 42 -1.099 3.193 -0.897 303 HD23 LEU 42 3HD2 LEU 42 -0.890 1.711 0.038 304 H GLU 43 H GLU 43 -2.728 3.498 2.468 305 HA GLU 43 HA GLU 43 -2.920 5.334 4.749 306 HB2 GLU 43 1HB GLU 43 -4.970 3.440 3.592 307 HB3 GLU 43 2HB GLU 43 -5.202 4.393 5.051 308 HG2 GLU 43 1HG GLU 43 -4.833 6.442 3.672 309 HG3 GLU 43 2HG GLU 43 -4.841 5.405 2.246 310 H GLU 44 H GLU 44 -2.809 4.533 6.787 311 HA GLU 44 HA GLU 44 -1.230 2.246 7.156 312 HB2 GLU 44 1HB GLU 44 -1.293 4.239 8.634 313 HB3 GLU 44 2HB GLU 44 -2.878 3.736 9.191 314 HG2 GLU 44 1HG GLU 44 -1.973 1.761 10.172 315 HG3 GLU 44 2HG GLU 44 -0.389 2.088 9.479 316 H ASN 45 H ASN 45 -1.694 0.204 7.539 317 HA ASN 45 HA ASN 45 -2.800 -1.731 7.935 318 HB2 ASN 45 1HB ASN 45 -4.947 0.098 8.995 319 HB3 ASN 45 2HB ASN 45 -5.108 -1.652 8.973 320 HD21 ASN 45 1HD2 ASN 45 -3.662 1.063 10.475 321 HD22 ASN 45 2HD2 ASN 45 -2.900 0.218 11.775 322 H GLN 46 H GLN 46 -2.959 -0.180 5.442 323 HA GLN 46 HA GLN 46 -5.488 -1.176 4.347 324 HB2 GLN 46 1HB GLN 46 -4.935 1.179 3.918 325 HB3 GLN 46 2HB GLN 46 -3.440 0.684 3.141 326 HG2 GLN 46 1HG GLN 46 -4.658 -0.414 1.387 327 HG3 GLN 46 2HG GLN 46 -6.187 -0.074 2.190 328 HE21 GLN 46 1HE2 GLN 46 -3.554 1.236 0.380 329 HE22 GLN 46 2HE2 GLN 46 -4.313 2.731 -0.032 330 H LYS 47 H LYS 47 -5.565 -2.692 2.782 331 HA LYS 47 HA LYS 47 -3.385 -4.436 2.367 332 HB2 LYS 47 1HB LYS 47 -5.859 -4.971 2.143 333 HB3 LYS 47 2HB LYS 47 -5.812 -4.133 0.600 334 HG2 LYS 47 1HG LYS 47 -5.641 -6.467 0.190 335 HG3 LYS 47 2HG LYS 47 -4.079 -5.729 -0.159 336 HD2 LYS 47 1HD LYS 47 -3.233 -6.460 2.004 337 HD3 LYS 47 2HD LYS 47 -4.807 -7.166 2.391 338 HE2 LYS 47 1HE LYS 47 -4.583 -8.679 0.476 339 HE3 LYS 47 2HE LYS 47 -3.006 -7.983 0.117 340 HZ1 LYS 47 1HZ LYS 47 -3.732 -9.433 2.601 341 HZ2 LYS 47 2HZ LYS 47 -2.220 -8.760 2.267 342 HZ3 LYS 47 3HZ LYS 47 -2.796 -10.048 1.336 343 H VAL 48 H VAL 48 -2.014 -4.650 0.574 344 HA VAL 48 HA VAL 48 -2.091 -2.607 -1.483 345 HB VAL 48 HB VAL 48 -1.008 -1.527 0.468 346 HG11 VAL 48 1HG1 VAL 48 1.082 -3.657 0.103 347 HG12 VAL 48 2HG1 VAL 48 -0.018 -3.495 1.471 348 HG13 VAL 48 3HG1 VAL 48 1.209 -2.262 1.174 349 HG21 VAL 48 1HG2 VAL 48 -0.439 -0.790 -1.772 350 HG22 VAL 48 2HG2 VAL 48 0.822 -2.018 -1.871 351 HG23 VAL 48 3HG2 VAL 48 0.967 -0.697 -0.711 352 H GLU 49 H GLU 49 -0.677 -3.015 -3.207 353 HA GLU 49 HA GLU 49 0.649 -5.639 -3.186 354 HB2 GLU 49 1HB GLU 49 -1.354 -5.613 -4.618 355 HB3 GLU 49 2HB GLU 49 -0.704 -4.240 -5.494 356 HG2 GLU 49 1HG GLU 49 1.126 -5.565 -6.304 357 HG3 GLU 49 2HG GLU 49 0.598 -6.941 -5.338 358 H PHE 50 H PHE 50 2.653 -5.740 -4.329 359 HA PHE 50 HA PHE 50 3.835 -3.379 -5.417 360 HB2 PHE 50 1HB PHE 50 5.590 -3.180 -3.610 361 HB3 PHE 50 2HB PHE 50 3.983 -2.633 -3.155 362 HD1 PHE 50 HD1 PHE 50 2.566 -4.046 -1.700 363 HD2 PHE 50 HD2 PHE 50 6.646 -4.980 -2.474 364 HE1 PHE 50 HE1 PHE 50 2.586 -5.545 0.241 365 HE2 PHE 50 HE2 PHE 50 6.669 -6.483 -0.528 366 HZ PHE 50 HZ PHE 50 4.639 -6.766 0.831 367 H GLU 51 H GLU 51 6.287 -3.706 -5.583 368 HA GLU 51 HA GLU 51 6.891 -6.557 -5.979 369 HB2 GLU 51 1HB GLU 51 6.615 -5.244 -8.099 370 HB3 GLU 51 2HB GLU 51 7.970 -4.244 -7.594 371 HG2 GLU 51 1HG GLU 51 9.424 -6.180 -7.597 372 HG3 GLU 51 2HG GLU 51 8.073 -7.210 -8.058 373 H ILE 52 H ILE 52 8.402 -7.200 -4.599 374 HA ILE 52 HA ILE 52 9.818 -5.275 -3.042 375 HB ILE 52 HB ILE 52 10.029 -8.281 -3.085 376 HG12 ILE 52 1HG1 ILE 52 8.665 -6.376 -1.177 377 HG13 ILE 52 2HG1 ILE 52 7.851 -7.386 -2.364 378 HG21 ILE 52 1HG2 ILE 52 11.221 -8.051 -0.957 379 HG22 ILE 52 2HG2 ILE 52 11.189 -6.297 -1.140 380 HG23 ILE 52 3HG2 ILE 52 12.100 -7.284 -2.283 381 HD11 ILE 52 1HD1 ILE 52 9.449 -8.366 -0.012 382 HD12 ILE 52 2HD1 ILE 52 8.616 -9.378 -1.195 383 HD13 ILE 52 3HD1 ILE 52 7.690 -8.318 -0.131 384 H GLY 53 H GLY 53 11.677 -4.412 -3.408 385 HA2 GLY 53 1HA GLY 53 13.636 -5.856 -5.078 386 HA3 GLY 53 2HA GLY 53 13.404 -4.116 -5.204 387 H GLU 54 H GLU 54 15.561 -3.707 -4.629 388 HA GLU 54 HA GLU 54 16.218 -4.363 -1.843 389 HB2 GLU 54 1HB GLU 54 18.567 -4.051 -2.455 390 HB3 GLU 54 2HB GLU 54 17.806 -5.289 -3.442 391 HG2 GLU 54 1HG GLU 54 17.617 -3.752 -5.291 392 HG3 GLU 54 2HG GLU 54 18.267 -2.445 -4.305 393 H GLY 55 H GLY 55 16.193 -2.778 -0.441 394 HA2 GLY 55 1HA GLY 55 16.238 -0.012 -1.431 395 HA3 GLY 55 2HA GLY 55 15.602 -0.536 0.124 396 H ALA 56 H ALA 56 16.936 1.183 0.995 397 HA ALA 56 HA ALA 56 19.782 0.994 0.832 398 HB1 ALA 56 1HB ALA 56 18.059 2.543 2.759 399 HB2 ALA 56 2HB ALA 56 18.655 3.128 1.205 400 HB3 ALA 56 3HB ALA 56 19.791 2.765 2.505 401 H LYS 57 H LYS 57 17.330 -0.051 3.138 402 HA LYS 57 HA LYS 57 19.400 -1.576 4.549 403 HB2 LYS 57 1HB LYS 57 17.368 0.269 5.785 404 HB3 LYS 57 2HB LYS 57 18.152 -1.009 6.700 405 HG2 LYS 57 1HG LYS 57 19.617 1.192 5.266 406 HG3 LYS 57 2HG LYS 57 19.193 1.221 6.979 407 HD2 LYS 57 1HD LYS 57 20.484 -0.871 7.288 408 HD3 LYS 57 2HD LYS 57 20.974 -0.785 5.596 409 HE2 LYS 57 1HE LYS 57 22.721 0.097 7.030 410 HE3 LYS 57 2HE LYS 57 22.045 1.376 6.026 411 HZ1 LYS 57 1HZ LYS 57 20.741 2.132 7.892 412 HZ2 LYS 57 2HZ LYS 57 22.372 2.079 8.327 413 HZ3 LYS 57 3HZ LYS 57 21.319 0.871 8.862 414 H GLY 58 H GLY 58 17.694 -2.634 2.646 415 HA2 GLY 58 1HA GLY 58 16.870 -4.974 3.385 416 HA3 GLY 58 2HA GLY 58 15.633 -4.031 4.205 417 HA PRO 59 HA PRO 59 14.121 -5.092 -0.064 418 HB2 PRO 59 1HB PRO 59 11.620 -5.781 0.778 419 HB3 PRO 59 2HB PRO 59 12.956 -6.924 0.650 420 HG2 PRO 59 1HG PRO 59 11.881 -5.524 3.054 421 HG3 PRO 59 2HG PRO 59 12.429 -7.199 2.885 422 HD2 PRO 59 1HD PRO 59 13.955 -5.279 4.018 423 HD3 PRO 59 2HD PRO 59 14.647 -6.626 3.095 424 H GLN 60 H GLN 60 13.037 -3.675 -1.334 425 HA GLN 60 HA GLN 60 11.529 -1.551 0.041 426 HB2 GLN 60 1HB GLN 60 12.217 0.029 -1.587 427 HB3 GLN 60 2HB GLN 60 13.671 -0.831 -1.103 428 HG2 GLN 60 1HG GLN 60 13.609 -2.159 -3.111 429 HG3 GLN 60 2HG GLN 60 12.072 -1.435 -3.578 430 HE21 GLN 60 1HE2 GLN 60 13.001 1.210 -2.590 431 HE22 GLN 60 2HE2 GLN 60 14.054 1.800 -3.822 432 H ALA 61 H ALA 61 9.588 -0.910 -0.804 433 HA ALA 61 HA ALA 61 8.291 -2.840 -2.542 434 HB1 ALA 61 1HB ALA 61 7.145 -2.083 -0.512 435 HB2 ALA 61 2HB ALA 61 6.231 -1.661 -1.963 436 HB3 ALA 61 3HB ALA 61 7.165 -0.426 -1.119 437 H GLN 62 H GLN 62 8.509 -2.594 -4.644 438 HA GLN 62 HA GLN 62 8.586 0.118 -5.781 439 HB2 GLN 62 1HB GLN 62 9.280 -2.482 -7.147 440 HB3 GLN 62 2HB GLN 62 9.621 -0.855 -7.720 441 HG2 GLN 62 1HG GLN 62 11.182 -0.529 -5.880 442 HG3 GLN 62 2HG GLN 62 10.829 -2.151 -5.287 443 HE21 GLN 62 1HE2 GLN 62 11.471 -3.941 -6.554 444 HE22 GLN 62 2HE2 GLN 62 12.770 -3.810 -7.683 445 H GLN 63 H GLN 63 7.198 0.640 -7.507 446 HA GLN 63 HA GLN 63 5.181 0.726 -8.546 447 HB2 GLN 63 1HB GLN 63 5.810 -2.208 -8.854 448 HB3 GLN 63 2HB GLN 63 4.439 -1.438 -9.630 449 HG2 GLN 63 1HG GLN 63 6.097 -1.530 -11.269 450 HG3 GLN 63 2HG GLN 63 6.109 0.137 -10.698 451 HE21 GLN 63 1HE2 GLN 63 7.902 0.920 -9.652 452 HE22 GLN 63 2HE2 GLN 63 9.390 0.049 -9.546 453 H VAL 64 H VAL 64 4.640 1.058 -6.118 454 HA VAL 64 HA VAL 64 3.236 -1.115 -4.836 455 HB VAL 64 HB VAL 64 3.357 1.718 -3.847 456 HG11 VAL 64 1HG1 VAL 64 3.324 0.611 -1.644 457 HG12 VAL 64 2HG1 VAL 64 3.155 -0.942 -2.461 458 HG13 VAL 64 3HG1 VAL 64 1.890 0.277 -2.613 459 HG21 VAL 64 1HG2 VAL 64 5.629 1.119 -4.437 460 HG22 VAL 64 2HG2 VAL 64 5.482 -0.397 -3.546 461 HG23 VAL 64 3HG2 VAL 64 5.443 1.141 -2.683 462 H HIS 65 H HIS 65 1.253 -1.564 -5.505 463 HA HIS 65 HA HIS 65 -0.575 0.623 -6.223 464 HB2 HIS 65 1HB HIS 65 -0.631 -2.339 -6.765 465 HB3 HIS 65 2HB HIS 65 -2.046 -1.327 -6.992 466 HD1 HIS 65 HD1 HIS 65 -2.241 -0.127 -9.173 467 HD2 HIS 65 HD2 HIS 65 1.566 -1.652 -8.521 468 HE1 HIS 65 HE1 HIS 65 -1.016 0.186 -11.343 469 HE2 HIS 65 HE2 HIS 65 1.219 -0.928 -10.984 470 H ALA 66 H ALA 66 -2.279 1.107 -4.963 471 HA ALA 66 HA ALA 66 -2.419 -0.160 -2.376 472 HB1 ALA 66 1HB ALA 66 -2.604 2.274 -2.594 473 HB2 ALA 66 2HB ALA 66 -4.031 1.571 -1.831 474 HB3 ALA 66 3HB ALA 66 -4.091 2.073 -3.521 475 H LEU 67 H LEU 67 -3.766 -1.706 -1.794 476 HA LEU 67 HA LEU 67 -5.820 -2.554 -3.708 477 HB2 LEU 67 1HB LEU 67 -4.538 -4.009 -1.396 478 HB3 LEU 67 2HB LEU 67 -5.777 -4.684 -2.430 479 HG LEU 67 HG LEU 67 -2.950 -3.974 -3.184 480 HD11 LEU 67 1HD1 LEU 67 -2.867 -6.388 -3.751 481 HD12 LEU 67 2HD1 LEU 67 -4.485 -6.565 -3.074 482 HD13 LEU 67 3HD1 LEU 67 -3.143 -6.076 -2.038 483 HD21 LEU 67 1HD2 LEU 67 -5.205 -4.887 -4.964 484 HD22 LEU 67 2HD2 LEU 67 -3.511 -4.778 -5.436 485 HD23 LEU 67 3HD2 LEU 67 -4.404 -3.317 -5.013 486 H GLY 68 H GLY 68 -7.497 -3.990 -2.144 487 HA2 GLY 68 1HA GLY 68 -8.296 -2.406 0.154 488 HA3 GLY 68 2HA GLY 68 -9.409 -2.380 -1.207 489 H GLY 69 H GLY 69 -10.428 -3.299 1.046 490 HA2 GLY 69 1HA GLY 69 -10.082 -6.087 1.487 491 HA3 GLY 69 2HA GLY 69 -11.427 -5.108 2.055 492 H GLU 70 H GLU 70 -11.510 -7.793 0.995 493 HA GLU 70 HA GLU 70 -12.703 -7.505 -1.649 494 HB2 GLU 70 1HB GLU 70 -12.122 -9.945 0.035 495 HB3 GLU 70 2HB GLU 70 -12.796 -9.985 -1.587 496 HG2 GLU 70 1HG GLU 70 -10.801 -9.109 -2.527 497 HG3 GLU 70 2HG GLU 70 -10.140 -8.748 -0.933 498 H ASN 71 H ASN 71 -14.801 -7.196 -1.879 499 HA ASN 71 HA ASN 71 -16.616 -8.252 0.183 500 HB2 ASN 71 1HB ASN 71 -16.481 -5.767 0.216 501 HB3 ASN 71 2HB ASN 71 -17.015 -5.739 -1.461 502 HD21 ASN 71 1HD2 ASN 71 -18.826 -4.521 -0.922 503 HD22 ASN 71 2HD2 ASN 71 -20.186 -5.198 -0.098 504 H LEU 72 H LEU 72 -16.091 -10.023 -1.596 505 HA LEU 72 HA LEU 72 -17.834 -9.849 -3.896 506 HB2 LEU 72 1HB LEU 72 -16.174 -12.109 -2.780 507 HB3 LEU 72 2HB LEU 72 -17.200 -12.280 -4.186 508 HG LEU 72 HG LEU 72 -15.819 -10.380 -5.215 509 HD11 LEU 72 1HD1 LEU 72 -13.942 -11.189 -3.000 510 HD12 LEU 72 2HD1 LEU 72 -14.729 -9.620 -3.172 511 HD13 LEU 72 3HD1 LEU 72 -13.545 -10.149 -4.367 512 HD21 LEU 72 1HD2 LEU 72 -14.545 -13.052 -4.657 513 HD22 LEU 72 2HD2 LEU 72 -14.091 -11.945 -5.953 514 HD23 LEU 72 3HD2 LEU 72 -15.689 -12.691 -5.949 515 H TYR 73 H TYR 73 -19.940 -9.817 -3.386 516 HA TYR 73 HA TYR 73 -20.900 -11.914 -1.558 517 HB2 TYR 73 1HB TYR 73 -21.149 -9.637 -0.608 518 HB3 TYR 73 2HB TYR 73 -22.132 -9.185 -1.997 519 HD1 TYR 73 HD1 TYR 73 -21.992 -11.383 0.974 520 HD2 TYR 73 HD2 TYR 73 -24.443 -9.736 -2.088 521 HE1 TYR 73 HE1 TYR 73 -23.991 -12.208 2.137 522 HE2 TYR 73 HE2 TYR 73 -26.450 -10.557 -0.929 523 HH TYR 73 HH TYR 73 -26.417 -11.647 2.256 524 H PHE 74 H PHE 74 -21.613 -13.454 -2.883 525 HA PHE 74 HA PHE 74 -23.393 -12.689 -5.086 526 HB2 PHE 74 1HB PHE 74 -21.515 -14.201 -5.647 527 HB3 PHE 74 2HB PHE 74 -22.115 -15.368 -4.473 528 HD1 PHE 74 HD1 PHE 74 -22.762 -13.764 -7.714 529 HD2 PHE 74 HD2 PHE 74 -23.967 -16.791 -4.977 530 HE1 PHE 74 HE1 PHE 74 -24.180 -14.770 -9.454 531 HE2 PHE 74 HE2 PHE 74 -25.388 -17.799 -6.712 532 HZ PHE 74 HZ PHE 74 -25.495 -16.790 -8.954 533 H GLN 75 H GLN 75 -25.429 -12.474 -4.350 534 HA GLN 75 HA GLN 75 -26.422 -14.185 -2.256 535 HB2 GLN 75 1HB GLN 75 -28.588 -12.984 -2.637 536 HB3 GLN 75 2HB GLN 75 -27.239 -11.948 -2.207 537 HG2 GLN 75 1HG GLN 75 -26.986 -11.296 -4.541 538 HG3 GLN 75 2HG GLN 75 -28.330 -12.349 -4.984 539 HE21 GLN 75 1HE2 GLN 75 -28.014 -9.442 -5.258 540 HE22 GLN 75 2HE2 GLN 75 -29.357 -8.742 -4.424 541 H GLY 76 H GLY 76 -27.236 -16.108 -2.542 542 HA2 GLY 76 1HA GLY 76 -28.255 -16.809 -5.223 543 HA3 GLY 76 2HA GLY 76 -27.271 -17.905 -4.264 544 H HIS 77 H HIS 77 -29.803 -18.544 -5.281 545 HA HIS 77 HA HIS 77 -31.767 -18.210 -3.199 546 HB2 HIS 77 1HB HIS 77 -31.830 -19.883 -5.719 547 HB3 HIS 77 2HB HIS 77 -33.202 -19.610 -4.652 548 HD1 HIS 77 HD1 HIS 77 -31.999 -18.480 -7.743 549 HD2 HIS 77 HD2 HIS 77 -33.516 -16.542 -4.393 550 HE1 HIS 77 HE1 HIS 77 -32.742 -16.221 -8.547 551 HE2 HIS 77 HE2 HIS 77 -33.473 -15.002 -6.469 552 H HIS 78 H HIS 78 -29.269 -20.411 -3.892 553 HA HIS 78 HA HIS 78 -30.198 -22.100 -1.691 554 HB2 HIS 78 1HB HIS 78 -29.329 -24.130 -2.894 555 HB3 HIS 78 2HB HIS 78 -30.781 -23.431 -3.593 556 HD1 HIS 78 HD1 HIS 78 -30.685 -22.762 -6.013 557 HD2 HIS 78 HD2 HIS 78 -26.940 -23.676 -4.455 558 HE1 HIS 78 HE1 HIS 78 -29.125 -22.825 -7.986 559 HE2 HIS 78 HE2 HIS 78 -26.839 -23.188 -6.989 560 H HIS 79 H HIS 79 -28.530 -20.156 -1.189 561 HA HIS 79 HA HIS 79 -25.774 -20.815 -1.681 562 HB2 HIS 79 1HB HIS 79 -26.644 -18.469 -1.518 563 HB3 HIS 79 2HB HIS 79 -26.909 -18.735 0.201 564 HD1 HIS 79 HD1 HIS 79 -24.947 -18.347 1.731 565 HD2 HIS 79 HD2 HIS 79 -23.847 -18.520 -2.277 566 HE1 HIS 79 HE1 HIS 79 -22.528 -17.663 1.663 567 HE2 HIS 79 HE2 HIS 79 -21.932 -17.623 -0.785 568 H HIS 80 H HIS 80 -26.320 -23.015 -0.658 569 HA HIS 80 HA HIS 80 -25.930 -24.545 0.964 570 HB2 HIS 80 1HB HIS 80 -23.672 -23.619 0.768 571 HB3 HIS 80 2HB HIS 80 -24.054 -22.400 1.977 572 HD1 HIS 80 HD1 HIS 80 -24.101 -26.211 1.804 573 HD2 HIS 80 HD2 HIS 80 -23.166 -23.116 4.419 574 HE1 HIS 80 HE1 HIS 80 -23.285 -27.323 3.907 575 HE2 HIS 80 HE2 HIS 80 -22.800 -25.436 5.504 576 H HIS 81 H HIS 81 -28.211 -24.030 1.627 577 HA HIS 81 HA HIS 81 -28.125 -23.468 4.512 578 HB2 HIS 81 1HB HIS 81 -30.221 -22.552 2.545 579 HB3 HIS 81 2HB HIS 81 -30.519 -22.628 4.277 580 HD1 HIS 81 HD1 HIS 81 -28.914 -21.067 5.775 581 HD2 HIS 81 HD2 HIS 81 -28.962 -20.282 1.694 582 HE1 HIS 81 HE1 HIS 81 -27.920 -18.775 5.516 583 HE2 HIS 81 HE2 HIS 81 -28.073 -18.270 3.055 584 H HIS 82 H HIS 82 -29.199 -25.415 1.903 585 HA HIS 82 HA HIS 82 -30.352 -27.292 3.839 586 HB2 HIS 82 1HB HIS 82 -31.414 -26.652 1.076 587 HB3 HIS 82 2HB HIS 82 -31.951 -28.016 2.050 588 HD1 HIS 82 HD1 HIS 82 -32.967 -24.747 1.218 589 HD2 HIS 82 HD2 HIS 82 -32.876 -26.919 4.760 590 HE1 HIS 82 HE1 HIS 82 -34.591 -23.601 2.754 591 HE2 HIS 82 HE2 HIS 82 -34.652 -25.039 4.821 Start of MODEL 5 1 H2 MET 1 2H MET 1 5.573 -10.590 -7.986 2 H MET 1 1H MET 1 4.043 -10.301 -8.642 3 H3 MET 1 3H MET 1 5.382 -9.443 -9.212 4 HA MET 1 HA MET 1 5.658 -8.396 -7.060 5 HB2 MET 1 1HB MET 1 2.942 -8.135 -8.357 6 HB3 MET 1 2HB MET 1 3.512 -7.050 -7.097 7 HG2 MET 1 1HG MET 1 5.378 -6.380 -8.520 8 HG3 MET 1 2HG MET 1 4.805 -7.462 -9.784 9 HE1 MET 1 1HE MET 1 5.410 -4.402 -10.307 10 HE2 MET 1 2HE MET 1 4.008 -3.929 -11.265 11 HE3 MET 1 3HE MET 1 4.787 -5.485 -11.552 12 H ALA 2 H ALA 2 5.425 -8.575 -4.955 13 HA ALA 2 HA ALA 2 3.679 -10.611 -3.872 14 HB1 ALA 2 1HB ALA 2 4.793 -10.114 -1.750 15 HB2 ALA 2 2HB ALA 2 5.627 -8.754 -2.503 16 HB3 ALA 2 3HB ALA 2 5.967 -10.403 -3.034 17 H GLN 3 H GLN 3 2.452 -10.054 -1.858 18 HA GLN 3 HA GLN 3 1.326 -7.347 -1.982 19 HB2 GLN 3 1HB GLN 3 -0.209 -9.907 -1.533 20 HB3 GLN 3 2HB GLN 3 -0.880 -8.288 -1.417 21 HG2 GLN 3 1HG GLN 3 -0.321 -7.932 -3.790 22 HG3 GLN 3 2HG GLN 3 0.225 -9.605 -3.878 23 HE21 GLN 3 1HE2 GLN 3 -1.882 -8.317 -5.362 24 HE22 GLN 3 2HE2 GLN 3 -3.340 -9.176 -4.995 25 H GLY 4 H GLY 4 0.072 -6.897 0.090 26 HA2 GLY 4 1HA GLY 4 0.522 -8.346 2.434 27 HA3 GLY 4 2HA GLY 4 1.824 -7.180 2.268 28 H THR 5 H THR 5 1.088 -6.222 4.184 29 HA THR 5 HA THR 5 -1.127 -4.348 3.694 30 HB THR 5 HB THR 5 -0.491 -5.624 6.364 31 HG1 THR 5 HG1 THR 5 -1.554 -6.953 4.605 32 HG21 THR 5 1HG2 THR 5 -2.803 -3.892 5.495 33 HG22 THR 5 2HG2 THR 5 -1.441 -3.357 6.480 34 HG23 THR 5 3HG2 THR 5 -2.556 -4.574 7.103 35 H VAL 6 H VAL 6 -0.311 -2.355 3.649 36 HA VAL 6 HA VAL 6 2.238 -1.685 4.632 37 HB VAL 6 HB VAL 6 1.516 -0.256 2.943 38 HG11 VAL 6 1HG1 VAL 6 -1.032 0.185 4.470 39 HG12 VAL 6 2HG1 VAL 6 -0.842 -0.778 3.004 40 HG13 VAL 6 3HG1 VAL 6 -0.593 0.967 2.953 41 HG21 VAL 6 1HG2 VAL 6 2.610 0.979 4.742 42 HG22 VAL 6 2HG2 VAL 6 1.040 1.276 5.496 43 HG23 VAL 6 3HG2 VAL 6 1.410 1.977 3.919 44 H LYS 7 H LYS 7 2.848 -1.606 6.639 45 HA LYS 7 HA LYS 7 0.982 -1.817 8.761 46 HB2 LYS 7 1HB LYS 7 2.949 -1.838 10.220 47 HB3 LYS 7 2HB LYS 7 3.160 -2.917 8.853 48 HG2 LYS 7 1HG LYS 7 4.626 -1.391 7.776 49 HG3 LYS 7 2HG LYS 7 4.274 -0.133 8.960 50 HD2 LYS 7 1HD LYS 7 6.411 -1.093 9.469 51 HD3 LYS 7 2HD LYS 7 5.263 -1.585 10.713 52 HE2 LYS 7 1HE LYS 7 5.021 -3.756 9.673 53 HE3 LYS 7 2HE LYS 7 6.071 -3.264 8.344 54 HZ1 LYS 7 1HZ LYS 7 7.308 -4.573 9.919 55 HZ2 LYS 7 2HZ LYS 7 6.856 -3.553 11.194 56 HZ3 LYS 7 3HZ LYS 7 7.867 -2.976 9.972 57 H TRP 8 H TRP 8 2.858 0.747 7.373 58 HA TRP 8 HA TRP 8 1.072 2.729 8.239 59 HB2 TRP 8 1HB TRP 8 2.518 4.049 9.707 60 HB3 TRP 8 2HB TRP 8 2.203 2.471 10.413 61 HD1 TRP 8 HD1 TRP 8 4.242 0.888 10.830 62 HE1 TRP 8 HE1 TRP 8 6.788 1.223 10.725 63 HE3 TRP 8 HE3 TRP 8 4.380 5.352 8.339 64 HZ2 TRP 8 HZ2 TRP 8 8.611 3.125 9.732 65 HZ3 TRP 8 HZ3 TRP 8 6.570 6.358 7.855 66 HH2 TRP 8 HH2 TRP 8 8.639 5.265 8.537 67 H PHE 9 H PHE 9 1.551 4.757 7.297 68 HA PHE 9 HA PHE 9 3.943 4.869 5.633 69 HB2 PHE 9 1HB PHE 9 2.091 3.951 4.236 70 HB3 PHE 9 2HB PHE 9 1.182 5.428 4.534 71 HD1 PHE 9 HD1 PHE 9 1.710 7.457 3.390 72 HD2 PHE 9 HD2 PHE 9 4.129 3.995 2.896 73 HE1 PHE 9 HE1 PHE 9 2.825 8.518 1.472 74 HE2 PHE 9 HE2 PHE 9 5.252 5.049 0.980 75 HZ PHE 9 HZ PHE 9 4.603 7.314 0.266 76 H ASN 10 H ASN 10 4.906 6.741 5.846 77 HA ASN 10 HA ASN 10 3.535 8.950 7.141 78 HB2 ASN 10 1HB ASN 10 5.865 8.314 7.776 79 HB3 ASN 10 2HB ASN 10 6.394 8.763 6.159 80 HD21 ASN 10 1HD2 ASN 10 5.468 9.884 9.265 81 HD22 ASN 10 2HD2 ASN 10 5.779 11.562 8.984 82 H ALA 11 H ALA 11 2.168 9.899 5.735 83 HA ALA 11 HA ALA 11 2.706 10.126 2.946 84 HB1 ALA 11 1HB ALA 11 0.601 11.341 2.838 85 HB2 ALA 11 2HB ALA 11 0.571 11.462 4.599 86 HB3 ALA 11 3HB ALA 11 0.439 9.884 3.819 87 H GLU 12 H GLU 12 3.735 11.920 5.574 88 HA GLU 12 HA GLU 12 3.749 14.523 4.397 89 HB2 GLU 12 1HB GLU 12 5.544 13.534 6.612 90 HB3 GLU 12 2HB GLU 12 5.035 15.188 6.298 91 HG2 GLU 12 1HG GLU 12 2.756 14.623 6.906 92 HG3 GLU 12 2HG GLU 12 3.232 12.948 7.174 93 H LYS 13 H LYS 13 6.241 12.120 5.090 94 HA LYS 13 HA LYS 13 8.184 13.518 3.456 95 HB2 LYS 13 1HB LYS 13 8.423 10.898 4.931 96 HB3 LYS 13 2HB LYS 13 9.746 11.843 4.262 97 HG2 LYS 13 1HG LYS 13 7.929 12.706 6.496 98 HG3 LYS 13 2HG LYS 13 9.564 12.079 6.682 99 HD2 LYS 13 1HD LYS 13 10.351 13.974 5.246 100 HD3 LYS 13 2HD LYS 13 8.718 14.633 5.342 101 HE2 LYS 13 1HE LYS 13 10.181 15.668 6.998 102 HE3 LYS 13 2HE LYS 13 8.896 14.744 7.773 103 HZ1 LYS 13 1HZ LYS 13 11.087 14.398 8.802 104 HZ2 LYS 13 2HZ LYS 13 11.667 13.755 7.351 105 HZ3 LYS 13 3HZ LYS 13 10.434 12.962 8.192 106 H GLY 14 H GLY 14 6.149 10.706 3.340 107 HA2 GLY 14 1HA GLY 14 5.370 9.789 1.314 108 HA3 GLY 14 2HA GLY 14 6.783 10.439 0.499 109 H PHE 15 H PHE 15 6.855 8.532 3.474 110 HA PHE 15 HA PHE 15 7.583 6.164 1.951 111 HB2 PHE 15 1HB PHE 15 9.658 5.771 3.092 112 HB3 PHE 15 2HB PHE 15 9.720 7.379 2.385 113 HD1 PHE 15 HD1 PHE 15 9.841 9.337 3.771 114 HD2 PHE 15 HD2 PHE 15 9.507 5.466 5.506 115 HE1 PHE 15 HE1 PHE 15 10.491 10.262 5.955 116 HE2 PHE 15 HE2 PHE 15 10.152 6.387 7.694 117 HZ PHE 15 HZ PHE 15 10.644 8.788 7.919 118 H GLY 16 H GLY 16 7.739 4.224 3.339 119 HA2 GLY 16 1HA GLY 16 6.711 4.289 6.000 120 HA3 GLY 16 2HA GLY 16 5.459 3.850 4.844 121 H PHE 17 H PHE 17 5.432 1.809 6.049 122 HA PHE 17 HA PHE 17 7.346 -0.048 4.835 123 HB2 PHE 17 1HB PHE 17 6.844 0.287 7.767 124 HB3 PHE 17 2HB PHE 17 7.230 -1.307 7.128 125 HD1 PHE 17 HD1 PHE 17 9.413 -1.771 6.177 126 HD2 PHE 17 HD2 PHE 17 8.495 2.031 7.848 127 HE1 PHE 17 HE1 PHE 17 11.810 -1.232 6.254 128 HE2 PHE 17 HE2 PHE 17 10.891 2.579 7.929 129 HZ PHE 17 HZ PHE 17 12.554 0.947 7.132 130 H ILE 18 H ILE 18 6.580 -2.079 4.454 131 HA ILE 18 HA ILE 18 3.722 -2.506 5.001 132 HB ILE 18 HB ILE 18 5.332 -3.435 2.624 133 HG12 ILE 18 1HG1 ILE 18 2.902 -1.666 2.644 134 HG13 ILE 18 2HG1 ILE 18 4.542 -1.029 2.702 135 HG21 ILE 18 1HG2 ILE 18 3.222 -4.369 1.774 136 HG22 ILE 18 2HG2 ILE 18 2.456 -3.991 3.317 137 HG23 ILE 18 3HG2 ILE 18 3.770 -5.166 3.249 138 HD11 ILE 18 1HD1 ILE 18 3.631 -0.999 0.441 139 HD12 ILE 18 2HD1 ILE 18 3.401 -2.748 0.511 140 HD13 ILE 18 3HD1 ILE 18 5.030 -2.069 0.560 141 H ALA 19 H ALA 19 3.077 -4.447 5.763 142 HA ALA 19 HA ALA 19 5.156 -6.435 6.359 143 HB1 ALA 19 1HB ALA 19 3.763 -5.724 8.254 144 HB2 ALA 19 2HB ALA 19 3.507 -7.429 7.873 145 HB3 ALA 19 3HB ALA 19 2.316 -6.225 7.375 146 HA PRO 20 HA PRO 20 3.498 -8.000 2.389 147 HB2 PRO 20 1HB PRO 20 5.714 -9.888 3.016 148 HB3 PRO 20 2HB PRO 20 5.307 -9.096 1.491 149 HG2 PRO 20 1HG PRO 20 7.334 -8.205 2.936 150 HG3 PRO 20 2HG PRO 20 6.227 -7.063 2.153 151 HD2 PRO 20 1HD PRO 20 6.394 -7.883 5.015 152 HD3 PRO 20 2HD PRO 20 6.048 -6.290 4.318 153 H ASP 21 H ASP 21 2.159 -9.607 1.925 154 HA ASP 21 HA ASP 21 1.255 -11.439 3.941 155 HB2 ASP 21 1HB ASP 21 -0.234 -10.432 2.213 156 HB3 ASP 21 2HB ASP 21 0.636 -11.326 0.974 157 H ASP 22 H ASP 22 3.752 -11.304 1.782 158 HA ASP 22 HA ASP 22 4.022 -14.080 1.105 159 HB2 ASP 22 1HB ASP 22 4.719 -12.249 -0.397 160 HB3 ASP 22 2HB ASP 22 5.930 -11.757 0.774 161 H GLY 23 H GLY 23 4.038 -13.200 3.983 162 HA2 GLY 23 1HA GLY 23 5.067 -14.461 5.731 163 HA3 GLY 23 2HA GLY 23 6.516 -14.586 4.745 164 H SER 24 H SER 24 4.964 -11.573 4.878 165 HA SER 24 HA SER 24 5.542 -9.548 5.654 166 HB2 SER 24 1HB SER 24 5.792 -9.440 8.155 167 HB3 SER 24 2HB SER 24 4.351 -10.265 7.566 168 HG SER 24 HG SER 24 6.482 -11.950 7.906 169 H ALA 25 H ALA 25 7.646 -10.226 4.260 170 HA ALA 25 HA ALA 25 10.021 -9.700 5.816 171 HB1 ALA 25 1HB ALA 25 11.153 -9.498 3.659 172 HB2 ALA 25 2HB ALA 25 9.600 -9.565 2.827 173 HB3 ALA 25 3HB ALA 25 10.187 -10.971 3.718 174 H ASP 26 H ASP 26 9.412 -7.864 6.935 175 HA ASP 26 HA ASP 26 8.037 -5.665 6.298 176 HB2 ASP 26 1HB ASP 26 10.686 -5.499 7.743 177 HB3 ASP 26 2HB ASP 26 9.314 -4.408 7.913 178 H VAL 27 H VAL 27 8.024 -4.525 4.533 179 HA VAL 27 HA VAL 27 10.564 -3.989 3.163 180 HB VAL 27 HB VAL 27 9.029 -5.453 1.938 181 HG11 VAL 27 1HG1 VAL 27 6.919 -4.569 1.052 182 HG12 VAL 27 2HG1 VAL 27 7.137 -3.124 2.040 183 HG13 VAL 27 3HG1 VAL 27 6.920 -4.698 2.812 184 HG21 VAL 27 1HG2 VAL 27 9.261 -2.735 0.678 185 HG22 VAL 27 2HG2 VAL 27 8.999 -4.261 -0.170 186 HG23 VAL 27 3HG2 VAL 27 10.512 -3.976 0.691 187 H PHE 28 H PHE 28 11.051 -1.979 2.464 188 HA PHE 28 HA PHE 28 9.703 0.214 3.785 189 HB2 PHE 28 1HB PHE 28 12.144 0.077 3.794 190 HB3 PHE 28 2HB PHE 28 12.169 0.103 2.038 191 HD1 PHE 28 HD1 PHE 28 11.543 2.095 5.059 192 HD2 PHE 28 HD2 PHE 28 11.973 2.143 0.827 193 HE1 PHE 28 HE1 PHE 28 11.728 4.547 5.110 194 HE2 PHE 28 HE2 PHE 28 12.157 4.595 0.871 195 HZ PHE 28 HZ PHE 28 12.035 5.798 3.012 196 H VAL 29 H VAL 29 8.355 1.631 2.844 197 HA VAL 29 HA VAL 29 7.888 1.333 -0.047 198 HB VAL 29 HB VAL 29 6.062 2.913 1.699 199 HG11 VAL 29 1HG1 VAL 29 5.700 2.879 -0.704 200 HG12 VAL 29 2HG1 VAL 29 4.378 2.072 0.136 201 HG13 VAL 29 3HG1 VAL 29 5.617 1.119 -0.679 202 HG21 VAL 29 1HG2 VAL 29 4.792 0.909 2.270 203 HG22 VAL 29 2HG2 VAL 29 6.408 0.887 2.977 204 HG23 VAL 29 3HG2 VAL 29 6.056 -0.092 1.552 205 H HIS 30 H HIS 30 7.793 3.124 -1.384 206 HA HIS 30 HA HIS 30 8.506 5.723 -0.249 207 HB2 HIS 30 1HB HIS 30 10.583 4.561 -0.997 208 HB3 HIS 30 2HB HIS 30 9.906 4.464 -2.618 209 HD1 HIS 30 HD1 HIS 30 10.929 6.139 -4.078 210 HD2 HIS 30 HD2 HIS 30 10.515 7.542 -0.183 211 HE1 HIS 30 HE1 HIS 30 11.843 8.487 -4.098 212 HE2 HIS 30 HE2 HIS 30 11.751 9.240 -1.694 213 H TYR 31 H TYR 31 7.468 7.375 -1.197 214 HA TYR 31 HA TYR 31 5.071 6.866 -2.471 215 HB2 TYR 31 1HB TYR 31 4.769 9.238 -2.611 216 HB3 TYR 31 2HB TYR 31 5.621 8.881 -1.115 217 HD1 TYR 31 HD1 TYR 31 8.077 9.358 -0.963 218 HD2 TYR 31 HD2 TYR 31 5.732 10.618 -4.279 219 HE1 TYR 31 HE1 TYR 31 9.826 10.966 -1.579 220 HE2 TYR 31 HE2 TYR 31 7.476 12.229 -4.908 221 HH TYR 31 HH TYR 31 9.343 13.453 -3.820 222 H SER 32 H SER 32 8.161 7.430 -3.938 223 HA SER 32 HA SER 32 7.207 8.308 -6.469 224 HB2 SER 32 1HB SER 32 9.502 8.749 -5.665 225 HB3 SER 32 2HB SER 32 9.850 7.023 -5.733 226 HG SER 32 HG SER 32 10.519 7.559 -7.665 227 H GLU 33 H GLU 33 7.561 5.241 -4.947 228 HA GLU 33 HA GLU 33 7.423 3.763 -7.448 229 HB2 GLU 33 1HB GLU 33 7.815 3.017 -4.570 230 HB3 GLU 33 2HB GLU 33 7.388 1.798 -5.758 231 HG2 GLU 33 1HG GLU 33 9.782 1.859 -5.355 232 HG3 GLU 33 2HG GLU 33 9.399 2.282 -7.020 233 H ILE 34 H ILE 34 5.315 5.039 -5.118 234 HA ILE 34 HA ILE 34 3.342 3.001 -5.109 235 HB ILE 34 HB ILE 34 3.155 5.908 -4.340 236 HG12 ILE 34 1HG1 ILE 34 3.430 3.382 -2.703 237 HG13 ILE 34 2HG1 ILE 34 4.681 4.593 -2.957 238 HG21 ILE 34 1HG2 ILE 34 0.948 5.071 -4.942 239 HG22 ILE 34 2HG2 ILE 34 1.069 5.317 -3.198 240 HG23 ILE 34 3HG2 ILE 34 1.168 3.688 -3.869 241 HD11 ILE 34 1HD1 ILE 34 3.649 4.813 -0.771 242 HD12 ILE 34 2HD1 ILE 34 2.073 5.032 -1.532 243 HD13 ILE 34 3HD1 ILE 34 3.338 6.234 -1.769 244 H GLN 35 H GLN 35 1.663 2.642 -6.350 245 HA GLN 35 HA GLN 35 1.382 4.300 -8.758 246 HB2 GLN 35 1HB GLN 35 0.622 1.415 -8.273 247 HB3 GLN 35 2HB GLN 35 0.441 2.280 -9.795 248 HG2 GLN 35 1HG GLN 35 3.036 1.743 -8.384 249 HG3 GLN 35 2HG GLN 35 2.418 0.853 -9.774 250 HE21 GLN 35 1HE2 GLN 35 4.817 2.558 -9.314 251 HE22 GLN 35 2HE2 GLN 35 4.801 3.702 -10.607 252 H GLY 36 H GLY 36 -0.020 5.797 -7.749 253 HA2 GLY 36 1HA GLY 36 -2.703 4.717 -7.169 254 HA3 GLY 36 2HA GLY 36 -2.062 6.201 -6.471 255 H ASN 37 H ASN 37 -4.476 6.314 -7.659 256 HA ASN 37 HA ASN 37 -4.148 7.171 -10.414 257 HB2 ASN 37 1HB ASN 37 -6.582 7.396 -10.444 258 HB3 ASN 37 2HB ASN 37 -6.117 5.822 -9.818 259 HD21 ASN 37 1HD2 ASN 37 -8.610 7.164 -9.475 260 HD22 ASN 37 2HD2 ASN 37 -8.828 7.411 -7.778 261 H GLY 38 H GLY 38 -2.657 8.728 -8.818 262 HA2 GLY 38 1HA GLY 38 -2.583 11.195 -9.152 263 HA3 GLY 38 2HA GLY 38 -4.214 11.218 -8.496 264 H PHE 39 H PHE 39 -3.087 8.948 -6.673 265 HA PHE 39 HA PHE 39 -1.831 10.755 -4.727 266 HB2 PHE 39 1HB PHE 39 -3.580 8.334 -4.323 267 HB3 PHE 39 2HB PHE 39 -2.597 9.013 -3.031 268 HD1 PHE 39 HD1 PHE 39 -3.104 11.202 -2.103 269 HD2 PHE 39 HD2 PHE 39 -5.570 9.440 -5.088 270 HE1 PHE 39 HE1 PHE 39 -4.895 12.798 -1.562 271 HE2 PHE 39 HE2 PHE 39 -7.364 11.037 -4.552 272 HZ PHE 39 HZ PHE 39 -7.028 12.718 -2.786 273 H ARG 40 H ARG 40 0.146 10.301 -4.003 274 HA ARG 40 HA ARG 40 1.313 7.682 -4.680 275 HB2 ARG 40 1HB ARG 40 2.730 10.251 -3.933 276 HB3 ARG 40 2HB ARG 40 3.496 8.751 -4.431 277 HG2 ARG 40 1HG ARG 40 1.667 10.395 -6.159 278 HG3 ARG 40 2HG ARG 40 3.429 10.460 -6.205 279 HD2 ARG 40 1HD ARG 40 3.516 8.120 -6.857 280 HD3 ARG 40 2HD ARG 40 1.760 8.004 -6.743 281 HE ARG 40 HE ARG 40 2.090 10.001 -8.509 282 HH11 ARG 40 1HH1 ARG 40 3.419 6.765 -8.337 283 HH12 ARG 40 2HH1 ARG 40 3.609 6.621 -10.057 284 HH21 ARG 40 1HH2 ARG 40 2.348 9.813 -10.767 285 HH22 ARG 40 2HH2 ARG 40 3.002 8.351 -11.437 286 H THR 41 H THR 41 -0.402 7.678 -2.608 287 HA THR 41 HA THR 41 1.317 7.632 -0.235 288 HB THR 41 HB THR 41 -0.688 8.430 1.076 289 HG1 THR 41 HG1 THR 41 -2.369 9.355 -0.024 290 HG21 THR 41 1HG2 THR 41 -0.315 10.797 0.544 291 HG22 THR 41 2HG2 THR 41 0.498 10.329 -0.948 292 HG23 THR 41 3HG2 THR 41 1.200 9.898 0.612 293 H LEU 42 H LEU 42 0.377 6.402 1.555 294 HA LEU 42 HA LEU 42 -1.544 4.341 0.770 295 HB2 LEU 42 1HB LEU 42 1.132 3.917 2.094 296 HB3 LEU 42 2HB LEU 42 -0.150 2.724 2.141 297 HG LEU 42 HG LEU 42 1.218 3.732 -0.348 298 HD11 LEU 42 1HD1 LEU 42 1.398 1.060 1.022 299 HD12 LEU 42 2HD1 LEU 42 2.629 2.320 1.087 300 HD13 LEU 42 3HD1 LEU 42 2.235 1.551 -0.450 301 HD21 LEU 42 1HD2 LEU 42 -0.901 1.626 0.050 302 HD22 LEU 42 2HD2 LEU 42 0.006 1.868 -1.444 303 HD23 LEU 42 3HD2 LEU 42 -1.062 3.138 -0.847 304 H GLU 43 H GLU 43 -2.643 3.405 2.557 305 HA GLU 43 HA GLU 43 -2.821 5.207 4.851 306 HB2 GLU 43 1HB GLU 43 -4.659 3.085 3.751 307 HB3 GLU 43 2HB GLU 43 -4.942 3.892 5.286 308 HG2 GLU 43 1HG GLU 43 -4.707 5.292 2.636 309 HG3 GLU 43 2HG GLU 43 -6.228 4.841 3.404 310 H GLU 44 H GLU 44 -3.066 4.232 6.994 311 HA GLU 44 HA GLU 44 -1.098 2.208 7.408 312 HB2 GLU 44 1HB GLU 44 -1.517 4.084 8.995 313 HB3 GLU 44 2HB GLU 44 -3.067 3.359 9.387 314 HG2 GLU 44 1HG GLU 44 -1.943 1.377 10.221 315 HG3 GLU 44 2HG GLU 44 -0.383 2.079 9.808 316 H ASN 45 H ASN 45 -1.380 0.145 8.126 317 HA ASN 45 HA ASN 45 -2.206 -1.929 7.923 318 HB2 ASN 45 1HB ASN 45 -4.211 -2.446 9.235 319 HB3 ASN 45 2HB ASN 45 -3.099 -1.410 10.107 320 HD21 ASN 45 1HD2 ASN 45 -3.737 0.585 10.734 321 HD22 ASN 45 2HD2 ASN 45 -5.349 1.180 10.548 322 H GLN 46 H GLN 46 -2.491 -0.490 5.630 323 HA GLN 46 HA GLN 46 -5.087 -1.303 4.532 324 HB2 GLN 46 1HB GLN 46 -4.360 1.033 4.172 325 HB3 GLN 46 2HB GLN 46 -2.927 0.445 3.346 326 HG2 GLN 46 1HG GLN 46 -4.374 -0.615 1.659 327 HG3 GLN 46 2HG GLN 46 -5.774 0.091 2.459 328 HE21 GLN 46 1HE2 GLN 46 -2.950 0.703 0.566 329 HE22 GLN 46 2HE2 GLN 46 -3.376 2.302 0.072 330 H LYS 47 H LYS 47 -5.228 -2.776 2.877 331 HA LYS 47 HA LYS 47 -3.018 -4.546 2.499 332 HB2 LYS 47 1HB LYS 47 -5.739 -4.368 1.219 333 HB3 LYS 47 2HB LYS 47 -4.555 -5.591 0.777 334 HG2 LYS 47 1HG LYS 47 -5.566 -5.192 3.579 335 HG3 LYS 47 2HG LYS 47 -6.287 -6.320 2.432 336 HD2 LYS 47 1HD LYS 47 -3.383 -6.378 3.243 337 HD3 LYS 47 2HD LYS 47 -4.638 -7.333 4.036 338 HE2 LYS 47 1HE LYS 47 -3.863 -7.482 1.121 339 HE3 LYS 47 2HE LYS 47 -3.437 -8.650 2.366 340 HZ1 LYS 47 1HZ LYS 47 -5.300 -9.458 1.126 341 HZ2 LYS 47 2HZ LYS 47 -6.169 -8.033 1.383 342 HZ3 LYS 47 3HZ LYS 47 -5.835 -9.061 2.680 343 H VAL 48 H VAL 48 -1.784 -4.851 0.651 344 HA VAL 48 HA VAL 48 -1.979 -2.922 -1.495 345 HB VAL 48 HB VAL 48 -0.919 -1.686 0.366 346 HG11 VAL 48 1HG1 VAL 48 0.187 -3.551 1.452 347 HG12 VAL 48 2HG1 VAL 48 1.340 -2.268 1.076 348 HG13 VAL 48 3HG1 VAL 48 1.276 -3.720 0.075 349 HG21 VAL 48 1HG2 VAL 48 -0.435 -1.038 -1.911 350 HG22 VAL 48 2HG2 VAL 48 0.869 -2.223 -1.994 351 HG23 VAL 48 3HG2 VAL 48 1.000 -0.842 -0.905 352 H GLU 49 H GLU 49 -0.628 -3.357 -3.229 353 HA GLU 49 HA GLU 49 0.831 -5.910 -3.178 354 HB2 GLU 49 1HB GLU 49 -1.146 -6.021 -4.586 355 HB3 GLU 49 2HB GLU 49 -0.671 -4.551 -5.417 356 HG2 GLU 49 1HG GLU 49 1.241 -5.666 -6.374 357 HG3 GLU 49 2HG GLU 49 0.865 -7.135 -5.470 358 H PHE 50 H PHE 50 2.869 -5.937 -4.224 359 HA PHE 50 HA PHE 50 4.019 -3.549 -5.316 360 HB2 PHE 50 1HB PHE 50 5.639 -3.240 -3.400 361 HB3 PHE 50 2HB PHE 50 3.978 -2.773 -3.051 362 HD1 PHE 50 HD1 PHE 50 6.695 -5.009 -2.197 363 HD2 PHE 50 HD2 PHE 50 2.543 -4.235 -1.671 364 HE1 PHE 50 HE1 PHE 50 6.651 -6.531 -0.268 365 HE2 PHE 50 HE2 PHE 50 2.498 -5.754 0.254 366 HZ PHE 50 HZ PHE 50 4.554 -6.904 0.960 367 H GLU 51 H GLU 51 6.227 -3.840 -5.951 368 HA GLU 51 HA GLU 51 7.089 -6.638 -5.954 369 HB2 GLU 51 1HB GLU 51 7.156 -5.590 -8.135 370 HB3 GLU 51 2HB GLU 51 8.095 -4.243 -7.501 371 HG2 GLU 51 1HG GLU 51 9.995 -5.624 -7.155 372 HG3 GLU 51 2HG GLU 51 9.073 -7.084 -7.491 373 H ILE 52 H ILE 52 8.385 -7.265 -4.383 374 HA ILE 52 HA ILE 52 9.746 -5.401 -2.713 375 HB ILE 52 HB ILE 52 10.019 -8.403 -2.873 376 HG12 ILE 52 1HG1 ILE 52 8.503 -6.634 -0.951 377 HG13 ILE 52 2HG1 ILE 52 7.776 -7.588 -2.238 378 HG21 ILE 52 1HG2 ILE 52 10.996 -6.477 -0.770 379 HG22 ILE 52 2HG2 ILE 52 12.008 -7.367 -1.907 380 HG23 ILE 52 3HG2 ILE 52 11.087 -8.236 -0.679 381 HD11 ILE 52 1HD1 ILE 52 8.529 -9.631 -1.148 382 HD12 ILE 52 2HD1 ILE 52 7.521 -8.660 -0.077 383 HD13 ILE 52 3HD1 ILE 52 9.272 -8.676 0.135 384 H GLY 53 H GLY 53 11.325 -4.263 -3.558 385 HA2 GLY 53 1HA GLY 53 13.419 -5.672 -5.078 386 HA3 GLY 53 2HA GLY 53 13.100 -3.943 -5.162 387 H GLU 54 H GLU 54 15.411 -3.769 -4.725 388 HA GLU 54 HA GLU 54 16.046 -4.282 -1.909 389 HB2 GLU 54 1HB GLU 54 18.428 -4.206 -2.658 390 HB3 GLU 54 2HB GLU 54 17.495 -5.540 -3.317 391 HG2 GLU 54 1HG GLU 54 17.192 -4.237 -5.396 392 HG3 GLU 54 2HG GLU 54 18.254 -2.999 -4.729 393 H GLY 55 H GLY 55 16.435 -2.661 -0.617 394 HA2 GLY 55 1HA GLY 55 16.772 0.020 -1.778 395 HA3 GLY 55 2HA GLY 55 16.129 -0.321 -0.175 396 H ALA 56 H ALA 56 17.733 1.230 0.560 397 HA ALA 56 HA ALA 56 20.511 0.529 0.357 398 HB1 ALA 56 1HB ALA 56 19.162 2.575 2.108 399 HB2 ALA 56 2HB ALA 56 19.799 2.863 0.487 400 HB3 ALA 56 3HB ALA 56 20.895 2.445 1.806 401 H LYS 57 H LYS 57 17.987 0.234 2.814 402 HA LYS 57 HA LYS 57 19.891 -1.292 4.463 403 HB2 LYS 57 1HB LYS 57 17.790 0.650 5.427 404 HB3 LYS 57 2HB LYS 57 18.786 -0.359 6.465 405 HG2 LYS 57 1HG LYS 57 20.785 0.769 5.665 406 HG3 LYS 57 2HG LYS 57 19.803 1.768 4.596 407 HD2 LYS 57 1HD LYS 57 18.657 2.720 6.531 408 HD3 LYS 57 2HD LYS 57 19.618 1.701 7.606 409 HE2 LYS 57 1HE LYS 57 20.703 3.815 5.744 410 HE3 LYS 57 2HE LYS 57 20.504 3.986 7.487 411 HZ1 LYS 57 1HZ LYS 57 22.061 2.143 7.788 412 HZ2 LYS 57 2HZ LYS 57 22.772 3.430 6.952 413 HZ3 LYS 57 3HZ LYS 57 22.285 2.047 6.112 414 H GLY 58 H GLY 58 17.839 -2.149 2.516 415 HA2 GLY 58 1HA GLY 58 16.947 -4.471 3.434 416 HA3 GLY 58 2HA GLY 58 15.789 -3.376 4.177 417 HA PRO 59 HA PRO 59 14.380 -4.593 -0.156 418 HB2 PRO 59 1HB PRO 59 11.899 -5.405 0.685 419 HB3 PRO 59 2HB PRO 59 13.269 -6.487 0.458 420 HG2 PRO 59 1HG PRO 59 12.209 -5.271 2.966 421 HG3 PRO 59 2HG PRO 59 12.816 -6.910 2.686 422 HD2 PRO 59 1HD PRO 59 14.305 -5.031 3.904 423 HD3 PRO 59 2HD PRO 59 15.026 -6.256 2.838 424 H GLN 60 H GLN 60 12.955 -3.394 -1.395 425 HA GLN 60 HA GLN 60 11.423 -1.319 0.016 426 HB2 GLN 60 1HB GLN 60 12.000 0.317 -1.699 427 HB3 GLN 60 2HB GLN 60 13.444 -0.280 -0.893 428 HG2 GLN 60 1HG GLN 60 14.003 -1.657 -2.763 429 HG3 GLN 60 2HG GLN 60 12.465 -1.302 -3.546 430 HE21 GLN 60 1HE2 GLN 60 14.304 1.125 -1.865 431 HE22 GLN 60 2HE2 GLN 60 14.781 2.015 -3.267 432 H ALA 61 H ALA 61 9.441 -0.888 -0.751 433 HA ALA 61 HA ALA 61 8.299 -2.817 -2.562 434 HB1 ALA 61 1HB ALA 61 7.054 -0.477 -1.121 435 HB2 ALA 61 2HB ALA 61 7.072 -2.154 -0.570 436 HB3 ALA 61 3HB ALA 61 6.172 -1.710 -2.022 437 H GLN 62 H GLN 62 8.486 -2.562 -4.668 438 HA GLN 62 HA GLN 62 8.474 0.167 -5.771 439 HB2 GLN 62 1HB GLN 62 9.408 -2.364 -7.121 440 HB3 GLN 62 2HB GLN 62 9.632 -0.715 -7.688 441 HG2 GLN 62 1HG GLN 62 11.060 -0.261 -5.750 442 HG3 GLN 62 2HG GLN 62 10.863 -1.933 -5.228 443 HE21 GLN 62 1HE2 GLN 62 11.743 -3.588 -6.520 444 HE22 GLN 62 2HE2 GLN 62 13.063 -3.270 -7.585 445 H GLN 63 H GLN 63 7.080 0.693 -7.420 446 HA GLN 63 HA GLN 63 5.090 0.716 -8.504 447 HB2 GLN 63 1HB GLN 63 5.921 -2.149 -8.940 448 HB3 GLN 63 2HB GLN 63 4.469 -1.475 -9.659 449 HG2 GLN 63 1HG GLN 63 6.195 -1.425 -11.292 450 HG3 GLN 63 2HG GLN 63 5.885 0.230 -10.779 451 HE21 GLN 63 1HE2 GLN 63 7.493 1.387 -9.808 452 HE22 GLN 63 2HE2 GLN 63 9.110 0.807 -9.610 453 H VAL 64 H VAL 64 4.396 1.027 -6.200 454 HA VAL 64 HA VAL 64 3.192 -1.258 -4.884 455 HB VAL 64 HB VAL 64 3.134 1.579 -3.897 456 HG11 VAL 64 1HG1 VAL 64 3.116 -1.094 -2.533 457 HG12 VAL 64 2HG1 VAL 64 1.804 0.079 -2.616 458 HG13 VAL 64 3HG1 VAL 64 3.261 0.447 -1.696 459 HG21 VAL 64 1HG2 VAL 64 5.275 1.153 -2.765 460 HG22 VAL 64 2HG2 VAL 64 5.431 1.156 -4.522 461 HG23 VAL 64 3HG2 VAL 64 5.415 -0.372 -3.642 462 H HIS 65 H HIS 65 1.215 -1.835 -5.445 463 HA HIS 65 HA HIS 65 -0.745 0.225 -6.224 464 HB2 HIS 65 1HB HIS 65 -0.733 -2.756 -6.742 465 HB3 HIS 65 2HB HIS 65 -2.031 -1.668 -7.202 466 HD1 HIS 65 HD1 HIS 65 -1.868 -0.678 -9.480 467 HD2 HIS 65 HD2 HIS 65 1.766 -2.181 -8.144 468 HE1 HIS 65 HE1 HIS 65 -0.302 -0.489 -11.435 469 HE2 HIS 65 HE2 HIS 65 1.831 -1.578 -10.659 470 H ALA 66 H ALA 66 -2.261 0.696 -4.757 471 HA ALA 66 HA ALA 66 -2.425 -0.739 -2.301 472 HB1 ALA 66 1HB ALA 66 -2.809 1.675 -2.431 473 HB2 ALA 66 2HB ALA 66 -4.184 0.833 -1.714 474 HB3 ALA 66 3HB ALA 66 -4.263 1.388 -3.388 475 H LEU 67 H LEU 67 -3.852 -2.241 -1.622 476 HA LEU 67 HA LEU 67 -5.586 -3.411 -3.664 477 HB2 LEU 67 1HB LEU 67 -4.660 -4.437 -0.986 478 HB3 LEU 67 2HB LEU 67 -5.743 -5.311 -2.047 479 HG LEU 67 HG LEU 67 -2.870 -4.592 -2.625 480 HD11 LEU 67 1HD1 LEU 67 -2.508 -7.007 -2.514 481 HD12 LEU 67 2HD1 LEU 67 -4.200 -7.241 -2.070 482 HD13 LEU 67 3HD1 LEU 67 -3.114 -6.371 -0.985 483 HD21 LEU 67 1HD2 LEU 67 -4.119 -4.538 -4.678 484 HD22 LEU 67 2HD2 LEU 67 -4.901 -6.070 -4.291 485 HD23 LEU 67 3HD2 LEU 67 -3.171 -6.023 -4.624 486 H GLY 68 H GLY 68 -6.699 -1.138 -2.950 487 HA2 GLY 68 1HA GLY 68 -8.459 -1.534 -0.660 488 HA3 GLY 68 2HA GLY 68 -8.297 -0.064 -1.610 489 H GLY 69 H GLY 69 -9.907 0.404 -2.942 490 HA2 GLY 69 1HA GLY 69 -12.081 -1.470 -3.236 491 HA3 GLY 69 2HA GLY 69 -12.041 0.188 -3.818 492 H GLU 70 H GLU 70 -10.733 -3.041 -4.470 493 HA GLU 70 HA GLU 70 -10.309 -2.359 -7.266 494 HB2 GLU 70 1HB GLU 70 -8.705 -3.827 -6.112 495 HB3 GLU 70 2HB GLU 70 -9.983 -4.994 -5.812 496 HG2 GLU 70 1HG GLU 70 -10.219 -5.419 -8.165 497 HG3 GLU 70 2HG GLU 70 -9.065 -4.142 -8.547 498 H ASN 71 H ASN 71 -12.497 -4.180 -5.252 499 HA ASN 71 HA ASN 71 -14.091 -4.941 -7.591 500 HB2 ASN 71 1HB ASN 71 -14.416 -5.810 -4.707 501 HB3 ASN 71 2HB ASN 71 -15.253 -6.476 -6.103 502 HD21 ASN 71 1HD2 ASN 71 -13.535 -7.762 -4.115 503 HD22 ASN 71 2HD2 ASN 71 -12.261 -8.519 -5.010 504 H LEU 72 H LEU 72 -15.732 -3.659 -8.114 505 HA LEU 72 HA LEU 72 -16.553 -1.517 -6.433 506 HB2 LEU 72 1HB LEU 72 -16.581 -1.368 -8.889 507 HB3 LEU 72 2HB LEU 72 -17.833 -2.593 -8.949 508 HG LEU 72 HG LEU 72 -19.373 -1.082 -7.774 509 HD11 LEU 72 1HD1 LEU 72 -17.087 0.875 -7.932 510 HD12 LEU 72 2HD1 LEU 72 -17.811 0.210 -6.467 511 HD13 LEU 72 3HD1 LEU 72 -18.745 1.291 -7.501 512 HD21 LEU 72 1HD2 LEU 72 -19.688 0.518 -9.598 513 HD22 LEU 72 2HD2 LEU 72 -19.342 -1.101 -10.207 514 HD23 LEU 72 3HD2 LEU 72 -18.080 0.130 -10.212 515 H TYR 73 H TYR 73 -17.767 -1.755 -4.707 516 HA TYR 73 HA TYR 73 -19.707 -3.937 -4.585 517 HB2 TYR 73 1HB TYR 73 -18.224 -3.813 -2.684 518 HB3 TYR 73 2HB TYR 73 -18.585 -2.106 -2.455 519 HD1 TYR 73 HD1 TYR 73 -20.111 -5.494 -2.329 520 HD2 TYR 73 HD2 TYR 73 -20.359 -1.435 -1.080 521 HE1 TYR 73 HE1 TYR 73 -21.926 -6.086 -0.780 522 HE2 TYR 73 HE2 TYR 73 -22.173 -2.018 0.471 523 HH TYR 73 HH TYR 73 -22.894 -5.145 1.368 524 H PHE 74 H PHE 74 -21.811 -3.589 -4.811 525 HA PHE 74 HA PHE 74 -22.760 -0.825 -4.951 526 HB2 PHE 74 1HB PHE 74 -24.082 -3.423 -5.761 527 HB3 PHE 74 2HB PHE 74 -24.807 -1.830 -5.944 528 HD1 PHE 74 HD1 PHE 74 -22.564 -4.269 -7.336 529 HD2 PHE 74 HD2 PHE 74 -23.742 -0.184 -7.495 530 HE1 PHE 74 HE1 PHE 74 -21.495 -4.052 -9.538 531 HE2 PHE 74 HE2 PHE 74 -22.678 0.039 -9.701 532 HZ PHE 74 HZ PHE 74 -21.553 -1.897 -10.724 533 H GLN 75 H GLN 75 -24.243 0.004 -3.562 534 HA GLN 75 HA GLN 75 -24.540 -1.206 -1.014 535 HB2 GLN 75 1HB GLN 75 -26.066 1.115 -2.210 536 HB3 GLN 75 2HB GLN 75 -26.013 0.692 -0.505 537 HG2 GLN 75 1HG GLN 75 -23.595 1.130 -0.493 538 HG3 GLN 75 2HG GLN 75 -23.691 1.612 -2.187 539 HE21 GLN 75 1HE2 GLN 75 -23.005 3.701 -1.791 540 HE22 GLN 75 2HE2 GLN 75 -23.986 4.869 -0.973 541 H GLY 76 H GLY 76 -25.860 -2.825 -0.518 542 HA2 GLY 76 1HA GLY 76 -27.781 -4.096 -0.397 543 HA3 GLY 76 2HA GLY 76 -28.614 -2.839 -1.299 544 H HIS 77 H HIS 77 -26.021 -5.204 -1.886 545 HA HIS 77 HA HIS 77 -27.376 -5.924 -4.398 546 HB2 HIS 77 1HB HIS 77 -25.334 -4.411 -4.655 547 HB3 HIS 77 2HB HIS 77 -24.378 -5.777 -4.095 548 HD1 HIS 77 HD1 HIS 77 -26.277 -4.505 -7.038 549 HD2 HIS 77 HD2 HIS 77 -24.118 -7.888 -5.949 550 HE1 HIS 77 HE1 HIS 77 -25.871 -5.765 -9.174 551 HE2 HIS 77 HE2 HIS 77 -24.405 -7.702 -8.514 552 H HIS 78 H HIS 78 -28.226 -7.626 -2.977 553 HA HIS 78 HA HIS 78 -26.307 -9.607 -2.060 554 HB2 HIS 78 1HB HIS 78 -28.416 -10.765 -1.192 555 HB3 HIS 78 2HB HIS 78 -27.979 -9.232 -0.454 556 HD1 HIS 78 HD1 HIS 78 -29.733 -7.472 -0.409 557 HD2 HIS 78 HD2 HIS 78 -30.653 -10.528 -3.070 558 HE1 HIS 78 HE1 HIS 78 -32.091 -7.026 -1.164 559 HE2 HIS 78 HE2 HIS 78 -32.681 -8.989 -2.630 560 H HIS 79 H HIS 79 -25.711 -9.945 -4.396 561 HA HIS 79 HA HIS 79 -27.604 -11.603 -5.863 562 HB2 HIS 79 1HB HIS 79 -26.257 -9.872 -7.050 563 HB3 HIS 79 2HB HIS 79 -24.805 -10.781 -6.657 564 HD1 HIS 79 HD1 HIS 79 -27.716 -10.731 -8.963 565 HD2 HIS 79 HD2 HIS 79 -24.474 -13.191 -8.120 566 HE1 HIS 79 HE1 HIS 79 -27.591 -12.356 -10.869 567 HE2 HIS 79 HE2 HIS 79 -25.531 -13.730 -10.421 568 H HIS 80 H HIS 80 -24.235 -11.898 -4.692 569 HA HIS 80 HA HIS 80 -24.611 -14.820 -4.672 570 HB2 HIS 80 1HB HIS 80 -22.126 -13.121 -4.723 571 HB3 HIS 80 2HB HIS 80 -22.074 -14.825 -4.294 572 HD1 HIS 80 HD1 HIS 80 -21.441 -12.799 -7.067 573 HD2 HIS 80 HD2 HIS 80 -23.560 -16.338 -6.548 574 HE1 HIS 80 HE1 HIS 80 -21.581 -13.845 -9.348 575 HE2 HIS 80 HE2 HIS 80 -22.755 -16.047 -8.985 576 H HIS 81 H HIS 81 -24.541 -12.123 -2.686 577 HA HIS 81 HA HIS 81 -24.044 -13.806 -0.323 578 HB2 HIS 81 1HB HIS 81 -23.523 -10.858 -0.735 579 HB3 HIS 81 2HB HIS 81 -23.489 -11.632 0.844 580 HD1 HIS 81 HD1 HIS 81 -21.434 -10.993 -2.124 581 HD2 HIS 81 HD2 HIS 81 -21.372 -13.587 1.121 582 HE1 HIS 81 HE1 HIS 81 -19.113 -11.952 -2.071 583 HE2 HIS 81 HE2 HIS 81 -19.045 -13.348 0.019 584 H HIS 82 H HIS 82 -25.140 -12.625 1.673 585 HA HIS 82 HA HIS 82 -27.894 -11.962 0.867 586 HB2 HIS 82 1HB HIS 82 -27.803 -14.149 1.951 587 HB3 HIS 82 2HB HIS 82 -26.938 -13.461 3.318 588 HD1 HIS 82 HD1 HIS 82 -28.311 -12.340 5.133 589 HD2 HIS 82 HD2 HIS 82 -30.573 -13.482 1.839 590 HE1 HIS 82 HE1 HIS 82 -30.708 -12.055 5.829 591 HE2 HIS 82 HE2 HIS 82 -32.062 -12.866 3.866 Start of MODEL 6 1 H2 MET 1 2H MET 1 4.330 -11.627 -8.381 2 H MET 1 1H MET 1 4.869 -10.393 -9.403 3 H3 MET 1 3H MET 1 5.675 -10.702 -7.951 4 HA MET 1 HA MET 1 4.340 -8.744 -7.738 5 HB2 MET 1 1HB MET 1 1.860 -8.964 -7.849 6 HB3 MET 1 2HB MET 1 2.651 -9.186 -9.401 7 HG2 MET 1 1HG MET 1 2.427 -11.610 -9.163 8 HG3 MET 1 2HG MET 1 1.615 -11.376 -7.616 9 HE1 MET 1 1HE MET 1 0.462 -13.070 -10.078 10 HE2 MET 1 2HE MET 1 -1.230 -12.583 -10.050 11 HE3 MET 1 3HE MET 1 -0.381 -12.909 -8.539 12 H ALA 2 H ALA 2 4.389 -8.360 -5.640 13 HA ALA 2 HA ALA 2 3.670 -10.543 -3.798 14 HB1 ALA 2 1HB ALA 2 5.118 -9.446 -2.159 15 HB2 ALA 2 2HB ALA 2 5.480 -8.173 -3.326 16 HB3 ALA 2 3HB ALA 2 6.006 -9.828 -3.635 17 H GLN 3 H GLN 3 2.639 -9.917 -1.790 18 HA GLN 3 HA GLN 3 1.169 -7.383 -1.956 19 HB2 GLN 3 1HB GLN 3 0.031 -10.082 -1.238 20 HB3 GLN 3 2HB GLN 3 -0.801 -8.558 -0.972 21 HG2 GLN 3 1HG GLN 3 -0.768 -8.128 -3.376 22 HG3 GLN 3 2HG GLN 3 0.041 -9.676 -3.632 23 HE21 GLN 3 1HE2 GLN 3 -2.909 -8.100 -2.754 24 HE22 GLN 3 2HE2 GLN 3 -3.939 -9.477 -2.898 25 H GLY 4 H GLY 4 0.164 -6.843 0.160 26 HA2 GLY 4 1HA GLY 4 0.949 -8.062 2.554 27 HA3 GLY 4 2HA GLY 4 2.105 -6.792 2.177 28 H THR 5 H THR 5 1.074 -6.159 4.337 29 HA THR 5 HA THR 5 -1.096 -4.277 3.698 30 HB THR 5 HB THR 5 -0.594 -5.587 6.379 31 HG1 THR 5 HG1 THR 5 -1.475 -7.016 4.762 32 HG21 THR 5 1HG2 THR 5 -2.849 -3.824 5.419 33 HG22 THR 5 2HG2 THR 5 -1.570 -3.345 6.536 34 HG23 THR 5 3HG2 THR 5 -2.736 -4.583 7.008 35 H VAL 6 H VAL 6 -0.380 -2.264 3.734 36 HA VAL 6 HA VAL 6 2.124 -1.514 4.773 37 HB VAL 6 HB VAL 6 1.387 -0.087 3.098 38 HG11 VAL 6 1HG1 VAL 6 -0.785 1.031 3.067 39 HG12 VAL 6 2HG1 VAL 6 -1.222 0.205 4.560 40 HG13 VAL 6 3HG1 VAL 6 -0.945 -0.723 3.086 41 HG21 VAL 6 1HG2 VAL 6 0.771 1.379 5.660 42 HG22 VAL 6 2HG2 VAL 6 1.145 2.126 4.106 43 HG23 VAL 6 3HG2 VAL 6 2.371 1.171 4.945 44 H LYS 7 H LYS 7 2.662 -1.536 6.809 45 HA LYS 7 HA LYS 7 0.686 -1.576 8.863 46 HB2 LYS 7 1HB LYS 7 2.637 -1.720 10.402 47 HB3 LYS 7 2HB LYS 7 2.599 -2.956 9.158 48 HG2 LYS 7 1HG LYS 7 4.300 -1.796 7.902 49 HG3 LYS 7 2HG LYS 7 4.290 -0.474 9.069 50 HD2 LYS 7 1HD LYS 7 6.169 -2.043 9.421 51 HD3 LYS 7 2HD LYS 7 5.086 -1.952 10.811 52 HE2 LYS 7 1HE LYS 7 3.960 -4.005 10.016 53 HE3 LYS 7 2HE LYS 7 5.129 -4.111 8.703 54 HZ1 LYS 7 1HZ LYS 7 6.874 -4.489 10.236 55 HZ2 LYS 7 2HZ LYS 7 5.607 -5.518 10.689 56 HZ3 LYS 7 3HZ LYS 7 5.896 -4.101 11.565 57 H TRP 8 H TRP 8 2.863 0.775 7.531 58 HA TRP 8 HA TRP 8 1.194 2.872 8.424 59 HB2 TRP 8 1HB TRP 8 2.718 4.093 9.855 60 HB3 TRP 8 2HB TRP 8 2.438 2.500 10.538 61 HD1 TRP 8 HD1 TRP 8 4.507 0.857 10.709 62 HE1 TRP 8 HE1 TRP 8 7.047 1.239 10.512 63 HE3 TRP 8 HE3 TRP 8 4.469 5.481 8.527 64 HZ2 TRP 8 HZ2 TRP 8 8.795 3.241 9.566 65 HZ3 TRP 8 HZ3 TRP 8 6.618 6.555 8.007 66 HH2 TRP 8 HH2 TRP 8 8.733 5.456 8.515 67 H PHE 9 H PHE 9 1.692 4.844 7.418 68 HA PHE 9 HA PHE 9 4.045 4.900 5.711 69 HB2 PHE 9 1HB PHE 9 2.245 3.906 4.328 70 HB3 PHE 9 2HB PHE 9 1.270 5.348 4.598 71 HD1 PHE 9 HD1 PHE 9 4.384 4.093 3.088 72 HD2 PHE 9 HD2 PHE 9 1.606 7.306 3.320 73 HE1 PHE 9 HE1 PHE 9 5.474 5.168 1.167 74 HE2 PHE 9 HE2 PHE 9 2.689 8.385 1.395 75 HZ PHE 9 HZ PHE 9 4.627 7.320 0.320 76 H ASN 10 H ASN 10 4.942 6.817 5.649 77 HA ASN 10 HA ASN 10 3.476 9.105 6.766 78 HB2 ASN 10 1HB ASN 10 5.612 8.418 7.853 79 HB3 ASN 10 2HB ASN 10 6.451 8.730 6.340 80 HD21 ASN 10 1HD2 ASN 10 6.720 9.901 9.020 81 HD22 ASN 10 2HD2 ASN 10 6.560 11.606 8.790 82 H ALA 11 H ALA 11 2.483 10.151 5.152 83 HA ALA 11 HA ALA 11 3.404 10.094 2.457 84 HB1 ALA 11 1HB ALA 11 1.254 11.757 3.750 85 HB2 ALA 11 2HB ALA 11 1.040 10.189 2.970 86 HB3 ALA 11 3HB ALA 11 1.515 11.594 2.014 87 H GLU 12 H GLU 12 3.760 12.312 5.111 88 HA GLU 12 HA GLU 12 4.485 14.617 3.655 89 HB2 GLU 12 1HB GLU 12 3.811 14.741 5.986 90 HB3 GLU 12 2HB GLU 12 5.183 13.750 6.464 91 HG2 GLU 12 1HG GLU 12 6.718 15.473 5.926 92 HG3 GLU 12 2HG GLU 12 5.462 16.434 5.151 93 H LYS 13 H LYS 13 6.391 12.071 5.179 94 HA LYS 13 HA LYS 13 8.864 13.128 4.122 95 HB2 LYS 13 1HB LYS 13 8.303 10.544 5.575 96 HB3 LYS 13 2HB LYS 13 9.896 11.194 5.220 97 HG2 LYS 13 1HG LYS 13 7.825 12.456 6.995 98 HG3 LYS 13 2HG LYS 13 9.275 11.607 7.525 99 HD2 LYS 13 1HD LYS 13 10.640 13.280 6.325 100 HD3 LYS 13 2HD LYS 13 9.160 14.150 5.923 101 HE2 LYS 13 1HE LYS 13 10.176 15.191 7.832 102 HE3 LYS 13 2HE LYS 13 8.695 14.388 8.340 103 HZ1 LYS 13 1HZ LYS 13 9.982 12.580 9.227 104 HZ2 LYS 13 2HZ LYS 13 10.556 14.029 9.876 105 HZ3 LYS 13 3HZ LYS 13 11.422 13.253 8.649 106 H GLY 14 H GLY 14 6.538 10.671 3.385 107 HA2 GLY 14 1HA GLY 14 6.104 9.932 1.209 108 HA3 GLY 14 2HA GLY 14 7.707 10.462 0.729 109 H PHE 15 H PHE 15 7.224 8.445 3.552 110 HA PHE 15 HA PHE 15 7.799 6.039 2.042 111 HB2 PHE 15 1HB PHE 15 9.832 5.465 3.124 112 HB3 PHE 15 2HB PHE 15 10.026 7.115 2.552 113 HD1 PHE 15 HD1 PHE 15 9.892 4.929 5.434 114 HD2 PHE 15 HD2 PHE 15 9.998 8.991 4.167 115 HE1 PHE 15 HE1 PHE 15 10.563 5.612 7.696 116 HE2 PHE 15 HE2 PHE 15 10.663 9.678 6.431 117 HZ PHE 15 HZ PHE 15 10.948 7.990 8.199 118 H GLY 16 H GLY 16 7.829 4.098 3.458 119 HA2 GLY 16 1HA GLY 16 6.768 4.239 6.100 120 HA3 GLY 16 2HA GLY 16 5.513 3.854 4.930 121 H PHE 17 H PHE 17 5.408 1.822 6.206 122 HA PHE 17 HA PHE 17 7.256 -0.121 5.012 123 HB2 PHE 17 1HB PHE 17 6.688 0.238 7.926 124 HB3 PHE 17 2HB PHE 17 7.014 -1.375 7.300 125 HD1 PHE 17 HD1 PHE 17 8.415 1.892 8.056 126 HD2 PHE 17 HD2 PHE 17 9.190 -1.937 6.379 127 HE1 PHE 17 HE1 PHE 17 10.830 2.333 8.177 128 HE2 PHE 17 HE2 PHE 17 11.607 -1.505 6.494 129 HZ PHE 17 HZ PHE 17 12.431 0.635 7.396 130 H ILE 18 H ILE 18 6.425 -2.035 4.490 131 HA ILE 18 HA ILE 18 3.570 -2.483 5.045 132 HB ILE 18 HB ILE 18 5.198 -3.284 2.632 133 HG12 ILE 18 1HG1 ILE 18 2.693 -1.631 2.697 134 HG13 ILE 18 2HG1 ILE 18 4.295 -0.914 2.822 135 HG21 ILE 18 1HG2 ILE 18 2.354 -3.987 3.307 136 HG22 ILE 18 2HG2 ILE 18 3.720 -5.101 3.179 137 HG23 ILE 18 3HG2 ILE 18 3.126 -4.260 1.743 138 HD11 ILE 18 1HD1 ILE 18 3.433 -0.831 0.544 139 HD12 ILE 18 2HD1 ILE 18 3.297 -2.591 0.533 140 HD13 ILE 18 3HD1 ILE 18 4.885 -1.829 0.650 141 H ALA 19 H ALA 19 2.948 -4.492 5.716 142 HA ALA 19 HA ALA 19 5.092 -6.407 6.322 143 HB1 ALA 19 1HB ALA 19 2.233 -6.311 7.296 144 HB2 ALA 19 2HB ALA 19 3.650 -5.769 8.197 145 HB3 ALA 19 3HB ALA 19 3.456 -7.478 7.801 146 HA PRO 20 HA PRO 20 3.550 -8.057 2.308 147 HB2 PRO 20 1HB PRO 20 5.855 -9.815 2.971 148 HB3 PRO 20 2HB PRO 20 5.426 -9.055 1.437 149 HG2 PRO 20 1HG PRO 20 7.395 -8.074 2.929 150 HG3 PRO 20 2HG PRO 20 6.285 -7.000 2.063 151 HD2 PRO 20 1HD PRO 20 6.418 -7.646 4.958 152 HD3 PRO 20 2HD PRO 20 5.948 -6.139 4.159 153 H ASP 21 H ASP 21 2.407 -9.838 1.803 154 HA ASP 21 HA ASP 21 1.377 -11.417 3.958 155 HB2 ASP 21 1HB ASP 21 -0.024 -10.673 2.066 156 HB3 ASP 21 2HB ASP 21 0.941 -11.653 0.969 157 H ASP 22 H ASP 22 4.055 -11.660 1.971 158 HA ASP 22 HA ASP 22 4.181 -14.537 1.803 159 HB2 ASP 22 1HB ASP 22 5.066 -13.017 0.023 160 HB3 ASP 22 2HB ASP 22 6.329 -12.517 1.140 161 H GLY 23 H GLY 23 4.142 -13.151 4.449 162 HA2 GLY 23 1HA GLY 23 5.009 -14.188 6.430 163 HA3 GLY 23 2HA GLY 23 6.494 -14.525 5.556 164 H SER 24 H SER 24 5.362 -11.484 4.888 165 HA SER 24 HA SER 24 6.032 -9.397 5.350 166 HB2 SER 24 1HB SER 24 5.816 -8.772 7.789 167 HB3 SER 24 2HB SER 24 4.414 -9.542 7.053 168 HG SER 24 HG SER 24 6.176 -11.321 8.182 169 H ALA 25 H ALA 25 8.138 -9.487 4.519 170 HA ALA 25 HA ALA 25 10.332 -9.856 6.367 171 HB1 ALA 25 1HB ALA 25 10.352 -8.891 3.511 172 HB2 ALA 25 2HB ALA 25 10.571 -10.559 4.036 173 HB3 ALA 25 3HB ALA 25 11.766 -9.337 4.466 174 H ASP 26 H ASP 26 8.187 -7.556 6.229 175 HA ASP 26 HA ASP 26 8.003 -5.345 6.671 176 HB2 ASP 26 1HB ASP 26 10.805 -5.698 7.760 177 HB3 ASP 26 2HB ASP 26 9.805 -4.268 8.000 178 H VAL 27 H VAL 27 7.878 -4.879 4.464 179 HA VAL 27 HA VAL 27 10.338 -4.229 3.060 180 HB VAL 27 HB VAL 27 8.608 -5.623 1.961 181 HG11 VAL 27 1HG1 VAL 27 6.981 -3.102 1.968 182 HG12 VAL 27 2HG1 VAL 27 6.628 -4.580 2.869 183 HG13 VAL 27 3HG1 VAL 27 6.581 -4.588 1.104 184 HG21 VAL 27 1HG2 VAL 27 10.188 -4.433 0.593 185 HG22 VAL 27 2HG2 VAL 27 9.177 -2.987 0.635 186 HG23 VAL 27 3HG2 VAL 27 8.605 -4.440 -0.188 187 H PHE 28 H PHE 28 10.919 -2.260 2.401 188 HA PHE 28 HA PHE 28 9.749 -0.003 3.780 189 HB2 PHE 28 1HB PHE 28 12.199 -0.376 3.646 190 HB3 PHE 28 2HB PHE 28 12.115 -0.174 1.903 191 HD1 PHE 28 HD1 PHE 28 11.845 1.530 5.139 192 HD2 PHE 28 HD2 PHE 28 11.968 1.994 0.912 193 HE1 PHE 28 HE1 PHE 28 12.206 3.946 5.420 194 HE2 PHE 28 HE2 PHE 28 12.330 4.413 1.186 195 HZ PHE 28 HZ PHE 28 12.449 5.392 3.440 196 H VAL 29 H VAL 29 8.481 1.530 2.886 197 HA VAL 29 HA VAL 29 7.898 1.256 0.009 198 HB VAL 29 HB VAL 29 6.139 2.850 1.799 199 HG11 VAL 29 1HG1 VAL 29 5.609 1.034 -0.541 200 HG12 VAL 29 2HG1 VAL 29 5.712 2.793 -0.589 201 HG13 VAL 29 3HG1 VAL 29 4.406 2.010 0.297 202 HG21 VAL 29 1HG2 VAL 29 6.041 -0.153 1.676 203 HG22 VAL 29 2HG2 VAL 29 4.878 0.906 2.480 204 HG23 VAL 29 3HG2 VAL 29 6.537 0.806 3.071 205 H HIS 30 H HIS 30 7.745 3.074 -1.288 206 HA HIS 30 HA HIS 30 8.522 5.649 -0.140 207 HB2 HIS 30 1HB HIS 30 10.547 4.506 -1.053 208 HB3 HIS 30 2HB HIS 30 9.767 4.461 -2.629 209 HD1 HIS 30 HD1 HIS 30 10.613 6.213 -4.107 210 HD2 HIS 30 HD2 HIS 30 10.601 7.432 -0.128 211 HE1 HIS 30 HE1 HIS 30 11.542 8.557 -4.108 212 HE2 HIS 30 HE2 HIS 30 11.695 9.192 -1.677 213 H TYR 31 H TYR 31 7.456 7.340 -1.020 214 HA TYR 31 HA TYR 31 4.958 6.786 -2.094 215 HB2 TYR 31 1HB TYR 31 4.548 9.121 -2.091 216 HB3 TYR 31 2HB TYR 31 5.607 8.791 -0.729 217 HD1 TYR 31 HD1 TYR 31 5.121 10.716 -3.690 218 HD2 TYR 31 HD2 TYR 31 8.107 9.277 -1.028 219 HE1 TYR 31 HE1 TYR 31 6.660 12.453 -4.490 220 HE2 TYR 31 HE2 TYR 31 9.657 11.012 -1.817 221 HH TYR 31 HH TYR 31 8.642 13.660 -3.692 222 H SER 32 H SER 32 7.893 7.679 -3.781 223 HA SER 32 HA SER 32 6.678 8.457 -6.207 224 HB2 SER 32 1HB SER 32 9.440 7.272 -5.879 225 HB3 SER 32 2HB SER 32 8.886 8.380 -7.137 226 HG SER 32 HG SER 32 9.445 9.934 -5.858 227 H GLU 33 H GLU 33 7.319 5.400 -4.777 228 HA GLU 33 HA GLU 33 7.171 3.960 -7.297 229 HB2 GLU 33 1HB GLU 33 7.819 3.203 -4.470 230 HB3 GLU 33 2HB GLU 33 7.385 1.965 -5.635 231 HG2 GLU 33 1HG GLU 33 9.809 2.243 -5.385 232 HG3 GLU 33 2HG GLU 33 9.254 2.542 -7.028 233 H ILE 34 H ILE 34 5.074 5.072 -4.901 234 HA ILE 34 HA ILE 34 3.250 2.890 -4.833 235 HB ILE 34 HB ILE 34 2.906 5.773 -4.023 236 HG12 ILE 34 1HG1 ILE 34 3.357 3.255 -2.415 237 HG13 ILE 34 2HG1 ILE 34 4.547 4.516 -2.711 238 HG21 ILE 34 1HG2 ILE 34 1.064 3.434 -3.534 239 HG22 ILE 34 2HG2 ILE 34 0.733 4.825 -4.568 240 HG23 ILE 34 3HG2 ILE 34 0.894 5.041 -2.824 241 HD11 ILE 34 1HD1 ILE 34 1.963 4.889 -1.229 242 HD12 ILE 34 2HD1 ILE 34 3.223 6.098 -1.463 243 HD13 ILE 34 3HD1 ILE 34 3.545 4.664 -0.485 244 H GLN 35 H GLN 35 1.412 2.530 -5.915 245 HA GLN 35 HA GLN 35 0.823 4.288 -8.205 246 HB2 GLN 35 1HB GLN 35 0.493 1.288 -8.147 247 HB3 GLN 35 2HB GLN 35 0.334 2.350 -9.536 248 HG2 GLN 35 1HG GLN 35 2.875 1.812 -8.029 249 HG3 GLN 35 2HG GLN 35 2.419 1.079 -9.563 250 HE21 GLN 35 1HE2 GLN 35 4.711 2.743 -8.839 251 HE22 GLN 35 2HE2 GLN 35 4.680 4.084 -9.925 252 H GLY 36 H GLY 36 -1.326 4.763 -8.532 253 HA2 GLY 36 1HA GLY 36 -3.445 3.241 -7.392 254 HA3 GLY 36 2HA GLY 36 -3.118 4.679 -6.435 255 H ASN 37 H ASN 37 -5.300 5.321 -7.007 256 HA ASN 37 HA ASN 37 -5.862 5.977 -9.766 257 HB2 ASN 37 1HB ASN 37 -7.599 5.212 -8.070 258 HB3 ASN 37 2HB ASN 37 -7.462 6.807 -7.340 259 HD21 ASN 37 1HD2 ASN 37 -9.567 7.372 -7.783 260 HD22 ASN 37 2HD2 ASN 37 -10.129 7.704 -9.384 261 H GLY 38 H GLY 38 -3.568 7.225 -9.060 262 HA2 GLY 38 1HA GLY 38 -2.790 9.426 -9.512 263 HA3 GLY 38 2HA GLY 38 -4.335 10.058 -8.956 264 H PHE 39 H PHE 39 -3.130 7.610 -6.989 265 HA PHE 39 HA PHE 39 -2.377 9.601 -4.970 266 HB2 PHE 39 1HB PHE 39 -3.354 6.758 -4.636 267 HB3 PHE 39 2HB PHE 39 -2.871 7.813 -3.314 268 HD1 PHE 39 HD1 PHE 39 -5.500 6.902 -5.611 269 HD2 PHE 39 HD2 PHE 39 -4.210 9.842 -2.821 270 HE1 PHE 39 HE1 PHE 39 -7.798 7.770 -5.469 271 HE2 PHE 39 HE2 PHE 39 -6.501 10.718 -2.675 272 HZ PHE 39 HZ PHE 39 -8.302 9.681 -3.999 273 H ARG 40 H ARG 40 -0.419 9.568 -4.049 274 HA ARG 40 HA ARG 40 1.342 7.268 -4.598 275 HB2 ARG 40 1HB ARG 40 2.155 10.095 -3.907 276 HB3 ARG 40 2HB ARG 40 3.238 8.770 -4.293 277 HG2 ARG 40 1HG ARG 40 1.244 9.977 -6.196 278 HG3 ARG 40 2HG ARG 40 2.961 10.375 -6.136 279 HD2 ARG 40 1HD ARG 40 3.476 7.992 -6.608 280 HD3 ARG 40 2HD ARG 40 1.746 7.693 -6.791 281 HE ARG 40 HE ARG 40 2.711 9.825 -8.452 282 HH11 ARG 40 1HH1 ARG 40 2.360 6.343 -8.236 283 HH12 ARG 40 2HH1 ARG 40 2.340 6.121 -9.961 284 HH21 ARG 40 1HH2 ARG 40 2.714 9.527 -10.709 285 HH22 ARG 40 2HH2 ARG 40 2.550 7.928 -11.365 286 H THR 41 H THR 41 -0.633 7.403 -2.550 287 HA THR 41 HA THR 41 1.039 7.522 -0.142 288 HB THR 41 HB THR 41 -1.023 8.342 1.070 289 HG1 THR 41 HG1 THR 41 -2.690 8.073 -0.312 290 HG21 THR 41 1HG2 THR 41 0.844 9.828 0.558 291 HG22 THR 41 2HG2 THR 41 -0.691 10.683 0.407 292 HG23 THR 41 3HG2 THR 41 0.167 10.147 -1.038 293 H LEU 42 H LEU 42 0.240 6.267 1.650 294 HA LEU 42 HA LEU 42 -1.567 4.084 0.901 295 HB2 LEU 42 1HB LEU 42 1.143 3.914 2.178 296 HB3 LEU 42 2HB LEU 42 -0.048 2.649 2.393 297 HG LEU 42 HG LEU 42 1.092 3.538 -0.249 298 HD11 LEU 42 1HD1 LEU 42 2.289 1.463 -0.249 299 HD12 LEU 42 2HD1 LEU 42 1.554 0.992 1.280 300 HD13 LEU 42 3HD1 LEU 42 2.681 2.345 1.226 301 HD21 LEU 42 1HD2 LEU 42 -1.159 2.745 -0.537 302 HD22 LEU 42 2HD2 LEU 42 -0.831 1.333 0.468 303 HD23 LEU 42 3HD2 LEU 42 -0.040 1.504 -1.101 304 H GLU 43 H GLU 43 -2.941 3.415 2.446 305 HA GLU 43 HA GLU 43 -3.180 5.094 4.798 306 HB2 GLU 43 1HB GLU 43 -4.962 2.905 3.722 307 HB3 GLU 43 2HB GLU 43 -5.344 3.941 5.087 308 HG2 GLU 43 1HG GLU 43 -4.950 4.826 2.239 309 HG3 GLU 43 2HG GLU 43 -6.488 4.680 3.087 310 H GLU 44 H GLU 44 -3.081 4.346 6.885 311 HA GLU 44 HA GLU 44 -1.247 2.245 7.340 312 HB2 GLU 44 1HB GLU 44 -1.485 4.275 8.752 313 HB3 GLU 44 2HB GLU 44 -3.031 3.666 9.311 314 HG2 GLU 44 1HG GLU 44 -1.914 1.726 10.271 315 HG3 GLU 44 2HG GLU 44 -0.364 2.356 9.729 316 H ASN 45 H ASN 45 -1.567 0.185 7.630 317 HA ASN 45 HA ASN 45 -2.501 -1.836 7.956 318 HB2 ASN 45 1HB ASN 45 -4.669 -0.238 9.308 319 HB3 ASN 45 2HB ASN 45 -4.711 -1.990 9.185 320 HD21 ASN 45 1HD2 ASN 45 -3.357 0.717 10.755 321 HD22 ASN 45 2HD2 ASN 45 -2.393 -0.144 11.902 322 H GLN 46 H GLN 46 -2.800 -0.407 5.550 323 HA GLN 46 HA GLN 46 -5.349 -1.458 4.536 324 HB2 GLN 46 1HB GLN 46 -4.933 0.901 4.052 325 HB3 GLN 46 2HB GLN 46 -3.393 0.493 3.313 326 HG2 GLN 46 1HG GLN 46 -4.523 -0.718 1.554 327 HG3 GLN 46 2HG GLN 46 -6.082 -0.407 2.311 328 HE21 GLN 46 1HE2 GLN 46 -3.430 0.963 0.561 329 HE22 GLN 46 2HE2 GLN 46 -4.225 2.424 0.094 330 H LYS 47 H LYS 47 -5.375 -2.959 2.889 331 HA LYS 47 HA LYS 47 -3.050 -4.572 2.545 332 HB2 LYS 47 1HB LYS 47 -5.391 -5.454 2.483 333 HB3 LYS 47 2HB LYS 47 -5.625 -4.606 0.963 334 HG2 LYS 47 1HG LYS 47 -5.185 -6.929 0.537 335 HG3 LYS 47 2HG LYS 47 -3.848 -5.951 -0.050 336 HD2 LYS 47 1HD LYS 47 -2.965 -7.902 1.037 337 HD3 LYS 47 2HD LYS 47 -2.601 -6.486 2.026 338 HE2 LYS 47 1HE LYS 47 -3.332 -8.302 3.439 339 HE3 LYS 47 2HE LYS 47 -4.541 -7.022 3.447 340 HZ1 LYS 47 1HZ LYS 47 -4.686 -9.501 1.819 341 HZ2 LYS 47 2HZ LYS 47 -5.861 -8.288 1.888 342 HZ3 LYS 47 3HZ LYS 47 -5.536 -9.224 3.253 343 H VAL 48 H VAL 48 -1.780 -4.801 0.689 344 HA VAL 48 HA VAL 48 -2.091 -2.849 -1.438 345 HB VAL 48 HB VAL 48 -0.961 -1.640 0.390 346 HG11 VAL 48 1HG1 VAL 48 0.147 -3.509 1.454 347 HG12 VAL 48 2HG1 VAL 48 1.313 -2.252 1.035 348 HG13 VAL 48 3HG1 VAL 48 1.194 -3.709 0.047 349 HG21 VAL 48 1HG2 VAL 48 0.866 -0.744 -0.902 350 HG22 VAL 48 2HG2 VAL 48 -0.513 -1.064 -1.954 351 HG23 VAL 48 3HG2 VAL 48 0.863 -2.167 -1.943 352 H GLU 49 H GLU 49 -0.761 -3.251 -3.232 353 HA GLU 49 HA GLU 49 0.615 -5.853 -3.231 354 HB2 GLU 49 1HB GLU 49 -1.414 -5.952 -4.559 355 HB3 GLU 49 2HB GLU 49 -0.952 -4.499 -5.428 356 HG2 GLU 49 1HG GLU 49 0.951 -5.670 -6.390 357 HG3 GLU 49 2HG GLU 49 0.496 -7.132 -5.511 358 H PHE 50 H PHE 50 2.618 -5.933 -4.296 359 HA PHE 50 HA PHE 50 3.719 -3.580 -5.515 360 HB2 PHE 50 1HB PHE 50 5.483 -3.279 -3.735 361 HB3 PHE 50 2HB PHE 50 3.861 -2.775 -3.278 362 HD1 PHE 50 HD1 PHE 50 2.523 -4.140 -1.737 363 HD2 PHE 50 HD2 PHE 50 6.586 -5.071 -2.602 364 HE1 PHE 50 HE1 PHE 50 2.606 -5.593 0.238 365 HE2 PHE 50 HE2 PHE 50 6.671 -6.523 -0.619 366 HZ PHE 50 HZ PHE 50 4.682 -6.787 0.801 367 H GLU 51 H GLU 51 6.145 -3.827 -5.759 368 HA GLU 51 HA GLU 51 6.870 -6.664 -6.072 369 HB2 GLU 51 1HB GLU 51 6.515 -5.519 -8.232 370 HB3 GLU 51 2HB GLU 51 7.702 -4.308 -7.775 371 HG2 GLU 51 1HG GLU 51 9.451 -5.960 -7.773 372 HG3 GLU 51 2HG GLU 51 8.283 -7.237 -8.112 373 H ILE 52 H ILE 52 8.454 -7.220 -4.720 374 HA ILE 52 HA ILE 52 9.779 -5.198 -3.186 375 HB ILE 52 HB ILE 52 10.163 -8.190 -3.168 376 HG12 ILE 52 1HG1 ILE 52 8.624 -6.357 -1.324 377 HG13 ILE 52 2HG1 ILE 52 7.912 -7.456 -2.499 378 HG21 ILE 52 1HG2 ILE 52 11.150 -6.082 -1.248 379 HG22 ILE 52 2HG2 ILE 52 12.144 -7.050 -2.337 380 HG23 ILE 52 3HG2 ILE 52 11.280 -7.825 -1.007 381 HD11 ILE 52 1HD1 ILE 52 9.521 -8.232 -0.079 382 HD12 ILE 52 2HD1 ILE 52 8.860 -9.351 -1.271 383 HD13 ILE 52 3HD1 ILE 52 7.776 -8.380 -0.275 384 H GLY 53 H GLY 53 11.624 -4.278 -3.564 385 HA2 GLY 53 1HA GLY 53 13.615 -5.683 -5.231 386 HA3 GLY 53 2HA GLY 53 13.318 -3.957 -5.391 387 H GLU 54 H GLU 54 15.571 -3.664 -4.921 388 HA GLU 54 HA GLU 54 16.198 -4.006 -2.068 389 HB2 GLU 54 1HB GLU 54 17.593 -5.271 -3.775 390 HB3 GLU 54 2HB GLU 54 18.197 -3.711 -4.304 391 HG2 GLU 54 1HG GLU 54 19.773 -4.709 -2.799 392 HG3 GLU 54 2HG GLU 54 19.045 -3.301 -2.028 393 H GLY 55 H GLY 55 16.053 -2.169 -1.017 394 HA2 GLY 55 1HA GLY 55 16.625 0.341 -2.457 395 HA3 GLY 55 2HA GLY 55 15.395 0.185 -1.213 396 H ALA 56 H ALA 56 16.419 1.960 -0.181 397 HA ALA 56 HA ALA 56 19.072 2.122 0.600 398 HB1 ALA 56 1HB ALA 56 17.463 3.974 0.695 399 HB2 ALA 56 2HB ALA 56 18.338 3.771 2.212 400 HB3 ALA 56 3HB ALA 56 16.675 3.201 2.071 401 H LYS 57 H LYS 57 16.333 1.033 2.623 402 HA LYS 57 HA LYS 57 18.112 0.153 4.700 403 HB2 LYS 57 1HB LYS 57 15.924 1.059 5.274 404 HB3 LYS 57 2HB LYS 57 15.133 -0.214 4.355 405 HG2 LYS 57 1HG LYS 57 16.032 -1.885 5.891 406 HG3 LYS 57 2HG LYS 57 16.814 -0.604 6.820 407 HD2 LYS 57 1HD LYS 57 14.647 0.365 7.340 408 HD3 LYS 57 2HD LYS 57 13.844 -0.863 6.360 409 HE2 LYS 57 1HE LYS 57 13.717 -1.416 8.735 410 HE3 LYS 57 2HE LYS 57 14.672 -2.607 7.856 411 HZ1 LYS 57 1HZ LYS 57 15.660 -1.930 9.993 412 HZ2 LYS 57 2HZ LYS 57 15.831 -0.353 9.401 413 HZ3 LYS 57 3HZ LYS 57 16.676 -1.625 8.678 414 H GLY 58 H GLY 58 15.944 -1.441 2.402 415 HA2 GLY 58 1HA GLY 58 17.564 -3.696 2.014 416 HA3 GLY 58 2HA GLY 58 16.366 -4.072 3.246 417 HA PRO 59 HA PRO 59 13.919 -5.108 -0.392 418 HB2 PRO 59 1HB PRO 59 11.715 -5.869 1.047 419 HB3 PRO 59 2HB PRO 59 13.073 -6.935 0.689 420 HG2 PRO 59 1HG PRO 59 12.471 -5.406 3.179 421 HG3 PRO 59 2HG PRO 59 13.103 -7.050 2.998 422 HD2 PRO 59 1HD PRO 59 14.691 -4.965 3.615 423 HD3 PRO 59 2HD PRO 59 15.258 -6.317 2.613 424 H GLN 60 H GLN 60 12.910 -3.574 -1.507 425 HA GLN 60 HA GLN 60 11.267 -1.650 -0.002 426 HB2 GLN 60 1HB GLN 60 11.869 0.082 -1.537 427 HB3 GLN 60 2HB GLN 60 13.351 -0.668 -0.965 428 HG2 GLN 60 1HG GLN 60 13.587 -1.889 -3.027 429 HG3 GLN 60 2HG GLN 60 12.030 -1.289 -3.595 430 HE21 GLN 60 1HE2 GLN 60 12.558 1.369 -2.440 431 HE22 GLN 60 2HE2 GLN 60 13.671 2.134 -3.513 432 H ALA 61 H ALA 61 9.318 -1.061 -0.809 433 HA ALA 61 HA ALA 61 8.121 -2.915 -2.678 434 HB1 ALA 61 1HB ALA 61 6.025 -1.793 -2.097 435 HB2 ALA 61 2HB ALA 61 6.925 -0.587 -1.179 436 HB3 ALA 61 3HB ALA 61 6.918 -2.270 -0.653 437 H GLN 62 H GLN 62 8.263 -2.588 -4.773 438 HA GLN 62 HA GLN 62 8.311 0.176 -5.794 439 HB2 GLN 62 1HB GLN 62 9.150 -2.314 -7.274 440 HB3 GLN 62 2HB GLN 62 9.487 -0.643 -7.706 441 HG2 GLN 62 1HG GLN 62 10.966 -0.417 -5.810 442 HG3 GLN 62 2HG GLN 62 10.571 -2.050 -5.276 443 HE21 GLN 62 1HE2 GLN 62 11.225 -3.807 -6.593 444 HE22 GLN 62 2HE2 GLN 62 12.596 -3.663 -7.636 445 H GLN 63 H GLN 63 6.944 0.701 -7.553 446 HA GLN 63 HA GLN 63 4.828 0.837 -8.362 447 HB2 GLN 63 1HB GLN 63 5.619 -1.971 -9.059 448 HB3 GLN 63 2HB GLN 63 4.040 -1.344 -9.502 449 HG2 GLN 63 1HG GLN 63 4.974 -0.561 -11.346 450 HG3 GLN 63 2HG GLN 63 5.804 0.617 -10.335 451 HE21 GLN 63 1HE2 GLN 63 7.448 -1.404 -9.037 452 HE22 GLN 63 2HE2 GLN 63 8.638 -1.877 -10.198 453 H VAL 64 H VAL 64 4.405 1.016 -5.968 454 HA VAL 64 HA VAL 64 3.169 -1.257 -4.678 455 HB VAL 64 HB VAL 64 3.136 1.517 -3.556 456 HG11 VAL 64 1HG1 VAL 64 2.028 -0.268 -2.337 457 HG12 VAL 64 2HG1 VAL 64 3.417 0.359 -1.447 458 HG13 VAL 64 3HG1 VAL 64 3.537 -1.180 -2.295 459 HG21 VAL 64 1HG2 VAL 64 5.398 1.172 -2.650 460 HG22 VAL 64 2HG2 VAL 64 5.384 1.298 -4.410 461 HG23 VAL 64 3HG2 VAL 64 5.550 -0.281 -3.639 462 H HIS 65 H HIS 65 1.285 -1.654 -5.792 463 HA HIS 65 HA HIS 65 -0.627 0.443 -6.323 464 HB2 HIS 65 1HB HIS 65 -0.748 -2.554 -6.649 465 HB3 HIS 65 2HB HIS 65 -2.097 -1.491 -7.021 466 HD1 HIS 65 HD1 HIS 65 -1.990 -0.145 -9.195 467 HD2 HIS 65 HD2 HIS 65 1.407 -2.434 -8.452 468 HE1 HIS 65 HE1 HIS 65 -0.678 -0.134 -11.343 469 HE2 HIS 65 HE2 HIS 65 1.294 -1.646 -10.916 470 H ALA 66 H ALA 66 -1.756 1.267 -4.732 471 HA ALA 66 HA ALA 66 -2.175 -0.010 -2.241 472 HB1 ALA 66 1HB ALA 66 -2.102 2.433 -2.517 473 HB2 ALA 66 2HB ALA 66 -3.574 1.895 -1.706 474 HB3 ALA 66 3HB ALA 66 -3.623 2.362 -3.406 475 H LEU 67 H LEU 67 -3.415 -1.728 -2.001 476 HA LEU 67 HA LEU 67 -5.536 -2.326 -3.821 477 HB2 LEU 67 1HB LEU 67 -4.633 -3.694 -1.293 478 HB3 LEU 67 2HB LEU 67 -5.874 -4.317 -2.363 479 HG LEU 67 HG LEU 67 -2.955 -3.929 -3.012 480 HD11 LEU 67 1HD1 LEU 67 -4.683 -6.341 -2.585 481 HD12 LEU 67 2HD1 LEU 67 -3.185 -5.893 -1.765 482 HD13 LEU 67 3HD1 LEU 67 -3.148 -6.410 -3.448 483 HD21 LEU 67 1HD2 LEU 67 -3.470 -4.888 -5.198 484 HD22 LEU 67 2HD2 LEU 67 -4.292 -3.351 -4.951 485 HD23 LEU 67 3HD2 LEU 67 -5.188 -4.863 -4.805 486 H GLY 68 H GLY 68 -7.215 -1.066 -3.740 487 HA2 GLY 68 1HA GLY 68 -9.336 -0.735 -2.416 488 HA3 GLY 68 2HA GLY 68 -8.262 -0.211 -1.121 489 H GLY 69 H GLY 69 -6.452 0.948 -3.240 490 HA2 GLY 69 1HA GLY 69 -7.778 3.553 -3.328 491 HA3 GLY 69 2HA GLY 69 -6.070 3.243 -3.600 492 H GLU 70 H GLU 70 -7.189 0.933 -5.402 493 HA GLU 70 HA GLU 70 -7.725 2.633 -7.754 494 HB2 GLU 70 1HB GLU 70 -6.548 -0.154 -7.756 495 HB3 GLU 70 2HB GLU 70 -6.716 0.919 -9.134 496 HG2 GLU 70 1HG GLU 70 -5.061 2.403 -8.266 497 HG3 GLU 70 2HG GLU 70 -4.983 1.505 -6.749 498 H ASN 71 H ASN 71 -9.578 1.541 -5.751 499 HA ASN 71 HA ASN 71 -11.556 0.476 -5.540 500 HB2 ASN 71 1HB ASN 71 -11.407 0.627 -8.541 501 HB3 ASN 71 2HB ASN 71 -12.749 -0.170 -7.728 502 HD21 ASN 71 1HD2 ASN 71 -12.669 2.241 -9.393 503 HD22 ASN 71 2HD2 ASN 71 -13.351 3.502 -8.426 504 H LEU 72 H LEU 72 -10.596 -1.230 -4.466 505 HA LEU 72 HA LEU 72 -9.576 -3.510 -5.890 506 HB2 LEU 72 1HB LEU 72 -8.644 -2.817 -3.720 507 HB3 LEU 72 2HB LEU 72 -10.185 -3.148 -2.955 508 HG LEU 72 HG LEU 72 -9.936 -5.545 -3.611 509 HD11 LEU 72 1HD1 LEU 72 -7.690 -6.326 -4.247 510 HD12 LEU 72 2HD1 LEU 72 -7.179 -4.647 -4.426 511 HD13 LEU 72 3HD1 LEU 72 -8.430 -5.305 -5.480 512 HD21 LEU 72 1HD2 LEU 72 -8.206 -6.048 -1.916 513 HD22 LEU 72 2HD2 LEU 72 -9.394 -4.863 -1.374 514 HD23 LEU 72 3HD2 LEU 72 -7.790 -4.334 -1.879 515 H TYR 73 H TYR 73 -11.545 -3.851 -7.131 516 HA TYR 73 HA TYR 73 -13.509 -5.445 -5.627 517 HB2 TYR 73 1HB TYR 73 -13.738 -4.215 -8.385 518 HB3 TYR 73 2HB TYR 73 -14.976 -5.192 -7.607 519 HD1 TYR 73 HD1 TYR 73 -14.030 -1.942 -8.334 520 HD2 TYR 73 HD2 TYR 73 -15.611 -4.272 -5.148 521 HE1 TYR 73 HE1 TYR 73 -14.994 0.087 -7.336 522 HE2 TYR 73 HE2 TYR 73 -16.578 -2.250 -4.140 523 HH TYR 73 HH TYR 73 -16.275 0.148 -4.162 524 H PHE 74 H PHE 74 -14.480 -7.041 -7.651 525 HA PHE 74 HA PHE 74 -12.386 -8.939 -8.015 526 HB2 PHE 74 1HB PHE 74 -14.853 -9.473 -7.812 527 HB3 PHE 74 2HB PHE 74 -15.036 -8.893 -9.466 528 HD1 PHE 74 HD1 PHE 74 -13.105 -11.335 -7.435 529 HD2 PHE 74 HD2 PHE 74 -14.765 -10.370 -11.229 530 HE1 PHE 74 HE1 PHE 74 -12.474 -13.558 -8.273 531 HE2 PHE 74 HE2 PHE 74 -14.142 -12.594 -12.071 532 HZ PHE 74 HZ PHE 74 -12.993 -14.190 -10.592 533 H GLN 75 H GLN 75 -13.298 -6.150 -9.651 534 HA GLN 75 HA GLN 75 -12.451 -6.714 -12.281 535 HB2 GLN 75 1HB GLN 75 -12.381 -4.106 -10.752 536 HB3 GLN 75 2HB GLN 75 -12.206 -4.270 -12.493 537 HG2 GLN 75 1HG GLN 75 -14.467 -5.167 -12.643 538 HG3 GLN 75 2HG GLN 75 -14.642 -5.011 -10.895 539 HE21 GLN 75 1HE2 GLN 75 -14.427 -3.318 -13.914 540 HE22 GLN 75 2HE2 GLN 75 -14.988 -1.792 -13.332 541 H GLY 76 H GLY 76 -10.759 -6.270 -9.337 542 HA2 GLY 76 1HA GLY 76 -8.212 -6.072 -10.808 543 HA3 GLY 76 2HA GLY 76 -8.460 -5.429 -9.190 544 H HIS 77 H HIS 77 -6.365 -7.014 -9.493 545 HA HIS 77 HA HIS 77 -5.302 -8.806 -8.621 546 HB2 HIS 77 1HB HIS 77 -6.674 -8.210 -6.606 547 HB3 HIS 77 2HB HIS 77 -7.870 -9.385 -7.133 548 HD1 HIS 77 HD1 HIS 77 -4.484 -9.103 -5.597 549 HD2 HIS 77 HD2 HIS 77 -7.151 -12.078 -6.731 550 HE1 HIS 77 HE1 HIS 77 -3.627 -11.214 -4.544 551 HE2 HIS 77 HE2 HIS 77 -5.147 -13.026 -5.398 552 H HIS 78 H HIS 78 -5.799 -9.354 -11.028 553 HA HIS 78 HA HIS 78 -6.197 -12.202 -10.936 554 HB2 HIS 78 1HB HIS 78 -7.805 -12.323 -12.790 555 HB3 HIS 78 2HB HIS 78 -8.497 -11.510 -11.395 556 HD1 HIS 78 HD1 HIS 78 -7.375 -10.902 -14.918 557 HD2 HIS 78 HD2 HIS 78 -9.215 -8.845 -11.809 558 HE1 HIS 78 HE1 HIS 78 -8.290 -8.799 -15.948 559 HE2 HIS 78 HE2 HIS 78 -9.485 -7.617 -14.072 560 H HIS 79 H HIS 79 -3.988 -10.598 -11.256 561 HA HIS 79 HA HIS 79 -3.289 -9.906 -13.878 562 HB2 HIS 79 1HB HIS 79 -2.160 -9.332 -11.603 563 HB3 HIS 79 2HB HIS 79 -1.263 -10.821 -11.855 564 HD1 HIS 79 HD1 HIS 79 -0.592 -7.497 -12.093 565 HD2 HIS 79 HD2 HIS 79 -0.331 -10.539 -14.912 566 HE1 HIS 79 HE1 HIS 79 1.023 -6.672 -13.831 567 HE2 HIS 79 HE2 HIS 79 1.094 -8.485 -15.574 568 H HIS 80 H HIS 80 -2.986 -12.927 -12.103 569 HA HIS 80 HA HIS 80 -1.931 -14.171 -14.558 570 HB2 HIS 80 1HB HIS 80 -0.493 -14.092 -12.363 571 HB3 HIS 80 2HB HIS 80 -1.545 -15.405 -11.851 572 HD1 HIS 80 HD1 HIS 80 1.450 -14.699 -13.812 573 HD2 HIS 80 HD2 HIS 80 -1.380 -17.736 -13.607 574 HE1 HIS 80 HE1 HIS 80 2.477 -16.663 -14.995 575 HE2 HIS 80 HE2 HIS 80 0.686 -18.431 -14.992 576 H HIS 81 H HIS 81 -4.708 -13.691 -13.801 577 HA HIS 81 HA HIS 81 -5.627 -16.487 -13.879 578 HB2 HIS 81 1HB HIS 81 -6.760 -14.219 -12.252 579 HB3 HIS 81 2HB HIS 81 -7.752 -15.592 -12.722 580 HD1 HIS 81 HD1 HIS 81 -7.992 -17.089 -10.785 581 HD2 HIS 81 HD2 HIS 81 -4.173 -15.470 -10.999 582 HE1 HIS 81 HE1 HIS 81 -6.736 -18.071 -8.847 583 HE2 HIS 81 HE2 HIS 81 -4.485 -16.945 -8.901 584 H HIS 82 H HIS 82 -7.100 -16.926 -15.443 585 HA HIS 82 HA HIS 82 -8.372 -14.692 -16.819 586 HB2 HIS 82 1HB HIS 82 -7.798 -15.681 -19.043 587 HB3 HIS 82 2HB HIS 82 -6.419 -15.028 -18.173 588 HD1 HIS 82 HD1 HIS 82 -4.618 -16.701 -17.376 589 HD2 HIS 82 HD2 HIS 82 -7.748 -18.448 -19.482 590 HE1 HIS 82 HE1 HIS 82 -3.845 -19.028 -17.933 591 HE2 HIS 82 HE2 HIS 82 -5.704 -20.020 -19.310 Start of MODEL 7 1 H2 MET 1 2H MET 1 5.849 -11.298 -8.145 2 H MET 1 1H MET 1 6.780 -10.112 -8.908 3 H3 MET 1 3H MET 1 7.327 -10.829 -7.477 4 HA MET 1 HA MET 1 6.507 -8.651 -7.010 5 HB2 MET 1 1HB MET 1 4.090 -8.163 -7.332 6 HB3 MET 1 2HB MET 1 4.964 -8.363 -8.841 7 HG2 MET 1 1HG MET 1 2.927 -9.458 -9.155 8 HG3 MET 1 2HG MET 1 4.094 -10.743 -8.865 9 HE1 MET 1 1HE MET 1 0.938 -11.159 -8.720 10 HE2 MET 1 2HE MET 1 0.813 -12.162 -7.276 11 HE3 MET 1 3HE MET 1 2.112 -12.444 -8.434 12 H ALA 2 H ALA 2 4.833 -8.191 -5.209 13 HA ALA 2 HA ALA 2 4.037 -10.567 -3.734 14 HB1 ALA 2 1HB ALA 2 5.985 -8.573 -2.576 15 HB2 ALA 2 2HB ALA 2 6.353 -10.242 -3.015 16 HB3 ALA 2 3HB ALA 2 5.224 -9.902 -1.701 17 H GLN 3 H GLN 3 2.491 -10.136 -2.141 18 HA GLN 3 HA GLN 3 1.422 -7.397 -2.205 19 HB2 GLN 3 1HB GLN 3 -0.022 -10.006 -1.740 20 HB3 GLN 3 2HB GLN 3 -0.760 -8.416 -1.616 21 HG2 GLN 3 1HG GLN 3 -0.395 -8.004 -3.945 22 HG3 GLN 3 2HG GLN 3 0.512 -9.505 -4.110 23 HE21 GLN 3 1HE2 GLN 3 -2.614 -8.073 -3.784 24 HE22 GLN 3 2HE2 GLN 3 -3.532 -9.489 -4.146 25 H GLY 4 H GLY 4 0.131 -6.905 -0.160 26 HA2 GLY 4 1HA GLY 4 0.606 -8.272 2.232 27 HA3 GLY 4 2HA GLY 4 1.868 -7.067 2.041 28 H THR 5 H THR 5 0.972 -6.215 4.005 29 HA THR 5 HA THR 5 -1.262 -4.387 3.441 30 HB THR 5 HB THR 5 -0.751 -5.660 6.136 31 HG1 THR 5 HG1 THR 5 -1.439 -7.315 4.790 32 HG21 THR 5 1HG2 THR 5 -3.129 -4.167 5.026 33 HG22 THR 5 2HG2 THR 5 -1.941 -3.512 6.155 34 HG23 THR 5 3HG2 THR 5 -2.993 -4.839 6.652 35 H VAL 6 H VAL 6 -0.545 -2.351 3.565 36 HA VAL 6 HA VAL 6 2.013 -1.722 4.561 37 HB VAL 6 HB VAL 6 1.328 -0.240 2.916 38 HG11 VAL 6 1HG1 VAL 6 -0.780 0.966 2.910 39 HG12 VAL 6 2HG1 VAL 6 -1.240 0.171 4.413 40 HG13 VAL 6 3HG1 VAL 6 -1.030 -0.778 2.941 41 HG21 VAL 6 1HG2 VAL 6 1.192 1.967 3.952 42 HG22 VAL 6 2HG2 VAL 6 2.388 0.953 4.761 43 HG23 VAL 6 3HG2 VAL 6 0.808 1.219 5.503 44 H LYS 7 H LYS 7 2.652 -1.626 6.556 45 HA LYS 7 HA LYS 7 0.747 -1.769 8.682 46 HB2 LYS 7 1HB LYS 7 2.748 -1.934 10.136 47 HB3 LYS 7 2HB LYS 7 2.722 -3.112 8.836 48 HG2 LYS 7 1HG LYS 7 4.351 -1.872 7.598 49 HG3 LYS 7 2HG LYS 7 4.287 -0.550 8.763 50 HD2 LYS 7 1HD LYS 7 6.256 -1.984 9.095 51 HD3 LYS 7 2HD LYS 7 5.182 -1.993 10.494 52 HE2 LYS 7 1HE LYS 7 4.208 -4.112 9.686 53 HE3 LYS 7 2HE LYS 7 5.358 -4.108 8.352 54 HZ1 LYS 7 1HZ LYS 7 5.999 -5.510 10.285 55 HZ2 LYS 7 2HZ LYS 7 6.161 -4.103 11.208 56 HZ3 LYS 7 3HZ LYS 7 7.161 -4.354 9.864 57 H TRP 8 H TRP 8 2.833 0.644 7.311 58 HA TRP 8 HA TRP 8 1.190 2.710 8.313 59 HB2 TRP 8 1HB TRP 8 2.780 3.910 9.710 60 HB3 TRP 8 2HB TRP 8 2.494 2.311 10.378 61 HD1 TRP 8 HD1 TRP 8 4.533 0.622 10.437 62 HE1 TRP 8 HE1 TRP 8 7.069 0.964 10.185 63 HE3 TRP 8 HE3 TRP 8 4.528 5.306 8.386 64 HZ2 TRP 8 HZ2 TRP 8 8.830 2.955 9.254 65 HZ3 TRP 8 HZ3 TRP 8 6.683 6.353 7.844 66 HH2 TRP 8 HH2 TRP 8 8.788 5.199 8.268 67 H PHE 9 H PHE 9 1.639 4.703 7.311 68 HA PHE 9 HA PHE 9 3.965 4.832 5.572 69 HB2 PHE 9 1HB PHE 9 2.150 3.779 4.226 70 HB3 PHE 9 2HB PHE 9 1.178 5.225 4.476 71 HD1 PHE 9 HD1 PHE 9 1.568 7.206 3.216 72 HD2 PHE 9 HD2 PHE 9 4.216 3.893 2.903 73 HE1 PHE 9 HE1 PHE 9 2.623 8.238 1.249 74 HE2 PHE 9 HE2 PHE 9 5.278 4.920 0.939 75 HZ PHE 9 HZ PHE 9 4.483 7.099 0.110 76 H ASN 10 H ASN 10 4.838 6.744 5.676 77 HA ASN 10 HA ASN 10 3.313 8.956 6.823 78 HB2 ASN 10 1HB ASN 10 5.592 8.348 7.704 79 HB3 ASN 10 2HB ASN 10 6.262 8.832 6.153 80 HD21 ASN 10 1HD2 ASN 10 6.643 9.865 8.883 81 HD22 ASN 10 2HD2 ASN 10 6.293 11.557 8.786 82 H ALA 11 H ALA 11 2.094 9.810 5.257 83 HA ALA 11 HA ALA 11 2.813 9.895 2.519 84 HB1 ALA 11 1HB ALA 11 0.770 11.209 2.243 85 HB2 ALA 11 2HB ALA 11 0.647 11.382 3.994 86 HB3 ALA 11 3HB ALA 11 0.495 9.789 3.252 87 H GLU 12 H GLU 12 3.292 12.056 5.174 88 HA GLU 12 HA GLU 12 3.645 14.452 3.689 89 HB2 GLU 12 1HB GLU 12 4.772 13.703 6.390 90 HB3 GLU 12 2HB GLU 12 4.624 15.332 5.744 91 HG2 GLU 12 1HG GLU 12 2.316 13.495 6.313 92 HG3 GLU 12 2HG GLU 12 2.886 14.767 7.389 93 H LYS 13 H LYS 13 5.808 11.976 4.924 94 HA LYS 13 HA LYS 13 8.135 13.298 3.801 95 HB2 LYS 13 1HB LYS 13 7.939 10.649 5.229 96 HB3 LYS 13 2HB LYS 13 9.409 11.550 4.892 97 HG2 LYS 13 1HG LYS 13 7.177 12.414 6.705 98 HG3 LYS 13 2HG LYS 13 8.742 11.783 7.211 99 HD2 LYS 13 1HD LYS 13 9.842 13.693 6.138 100 HD3 LYS 13 2HD LYS 13 8.264 14.322 5.662 101 HE2 LYS 13 1HE LYS 13 7.620 14.559 7.982 102 HE3 LYS 13 2HE LYS 13 9.139 13.834 8.505 103 HZ1 LYS 13 1HZ LYS 13 8.883 16.393 7.017 104 HZ2 LYS 13 2HZ LYS 13 10.328 15.701 7.564 105 HZ3 LYS 13 3HZ LYS 13 9.176 16.247 8.679 106 H GLY 14 H GLY 14 6.000 10.656 3.148 107 HA2 GLY 14 1HA GLY 14 5.575 9.842 0.996 108 HA3 GLY 14 2HA GLY 14 7.114 10.493 0.462 109 H PHE 15 H PHE 15 6.855 8.492 3.330 110 HA PHE 15 HA PHE 15 7.607 6.116 1.845 111 HB2 PHE 15 1HB PHE 15 9.688 5.725 2.898 112 HB3 PHE 15 2HB PHE 15 9.741 7.395 2.355 113 HD1 PHE 15 HD1 PHE 15 9.876 5.155 5.176 114 HD2 PHE 15 HD2 PHE 15 9.485 9.233 4.023 115 HE1 PHE 15 HE1 PHE 15 10.496 5.853 7.449 116 HE2 PHE 15 HE2 PHE 15 10.099 9.935 6.301 117 HZ PHE 15 HZ PHE 15 10.606 8.243 8.015 118 H GLY 16 H GLY 16 7.771 4.195 3.283 119 HA2 GLY 16 1HA GLY 16 6.762 4.277 5.936 120 HA3 GLY 16 2HA GLY 16 5.475 3.879 4.805 121 H PHE 17 H PHE 17 5.431 1.839 6.030 122 HA PHE 17 HA PHE 17 7.245 -0.069 4.741 123 HB2 PHE 17 1HB PHE 17 6.869 0.294 7.675 124 HB3 PHE 17 2HB PHE 17 7.053 -1.343 7.057 125 HD1 PHE 17 HD1 PHE 17 9.129 -2.090 6.100 126 HD2 PHE 17 HD2 PHE 17 8.703 1.876 7.570 127 HE1 PHE 17 HE1 PHE 17 11.571 -1.815 6.054 128 HE2 PHE 17 HE2 PHE 17 11.145 2.158 7.533 129 HZ PHE 17 HZ PHE 17 12.584 0.311 6.770 130 H ILE 18 H ILE 18 6.388 -1.995 4.249 131 HA ILE 18 HA ILE 18 3.550 -2.397 4.882 132 HB ILE 18 HB ILE 18 5.132 -3.321 2.487 133 HG12 ILE 18 1HG1 ILE 18 2.670 -1.605 2.509 134 HG13 ILE 18 2HG1 ILE 18 4.289 -0.925 2.601 135 HG21 ILE 18 1HG2 ILE 18 2.279 -3.932 3.216 136 HG22 ILE 18 2HG2 ILE 18 3.616 -5.081 3.103 137 HG23 ILE 18 3HG2 ILE 18 3.022 -4.272 1.651 138 HD11 ILE 18 1HD1 ILE 18 3.428 -0.889 0.326 139 HD12 ILE 18 2HD1 ILE 18 3.223 -2.642 0.372 140 HD13 ILE 18 3HD1 ILE 18 4.840 -1.940 0.456 141 H ALA 19 H ALA 19 2.881 -4.368 5.616 142 HA ALA 19 HA ALA 19 4.975 -6.315 6.279 143 HB1 ALA 19 1HB ALA 19 2.090 -6.183 7.171 144 HB2 ALA 19 2HB ALA 19 3.479 -5.635 8.108 145 HB3 ALA 19 3HB ALA 19 3.295 -7.348 7.726 146 HA PRO 20 HA PRO 20 3.535 -7.951 2.242 147 HB2 PRO 20 1HB PRO 20 5.779 -9.757 3.003 148 HB3 PRO 20 2HB PRO 20 5.418 -9.005 1.447 149 HG2 PRO 20 1HG PRO 20 7.353 -8.040 2.984 150 HG3 PRO 20 2HG PRO 20 6.279 -6.950 2.093 151 HD2 PRO 20 1HD PRO 20 6.315 -7.620 4.988 152 HD3 PRO 20 2HD PRO 20 5.918 -6.092 4.190 153 H ASP 21 H ASP 21 2.221 -9.591 1.794 154 HA ASP 21 HA ASP 21 1.373 -11.435 3.823 155 HB2 ASP 21 1HB ASP 21 -0.133 -10.506 2.042 156 HB3 ASP 21 2HB ASP 21 0.767 -11.441 0.853 157 H ASP 22 H ASP 22 3.857 -11.196 1.668 158 HA ASP 22 HA ASP 22 4.408 -13.938 1.098 159 HB2 ASP 22 1HB ASP 22 5.118 -12.012 -0.313 160 HB3 ASP 22 2HB ASP 22 6.208 -11.508 0.967 161 H GLY 23 H GLY 23 4.093 -12.999 3.967 162 HA2 GLY 23 1HA GLY 23 4.957 -14.268 5.794 163 HA3 GLY 23 2HA GLY 23 6.495 -14.364 4.956 164 H SER 24 H SER 24 5.351 -11.289 4.666 165 HA SER 24 HA SER 24 5.828 -9.286 5.583 166 HB2 SER 24 1HB SER 24 5.667 -10.852 8.157 167 HB3 SER 24 2HB SER 24 5.615 -9.094 8.031 168 HG SER 24 HG SER 24 3.818 -10.450 6.419 169 H ALA 25 H ALA 25 7.895 -9.049 4.680 170 HA ALA 25 HA ALA 25 10.132 -9.663 6.477 171 HB1 ALA 25 1HB ALA 25 10.190 -9.072 3.526 172 HB2 ALA 25 2HB ALA 25 10.282 -10.672 4.261 173 HB3 ALA 25 3HB ALA 25 11.576 -9.504 4.527 174 H ASP 26 H ASP 26 8.238 -7.301 6.430 175 HA ASP 26 HA ASP 26 8.232 -5.047 6.689 176 HB2 ASP 26 1HB ASP 26 11.131 -5.506 7.424 177 HB3 ASP 26 2HB ASP 26 10.232 -4.023 7.724 178 H VAL 27 H VAL 27 7.915 -4.793 4.393 179 HA VAL 27 HA VAL 27 10.301 -4.121 2.868 180 HB VAL 27 HB VAL 27 8.574 -5.612 1.887 181 HG11 VAL 27 1HG1 VAL 27 6.587 -4.570 2.771 182 HG12 VAL 27 2HG1 VAL 27 6.521 -4.645 1.008 183 HG13 VAL 27 3HG1 VAL 27 6.906 -3.121 1.814 184 HG21 VAL 27 1HG2 VAL 27 10.121 -4.461 0.453 185 HG22 VAL 27 2HG2 VAL 27 9.083 -3.033 0.436 186 HG23 VAL 27 3HG2 VAL 27 8.532 -4.535 -0.312 187 H PHE 28 H PHE 28 10.884 -2.153 2.325 188 HA PHE 28 HA PHE 28 9.618 0.081 3.639 189 HB2 PHE 28 1HB PHE 28 12.049 -0.154 3.636 190 HB3 PHE 28 2HB PHE 28 12.069 -0.118 1.879 191 HD1 PHE 28 HD1 PHE 28 11.627 1.873 4.920 192 HD2 PHE 28 HD2 PHE 28 11.868 1.945 0.673 193 HE1 PHE 28 HE1 PHE 28 11.909 4.314 4.979 194 HE2 PHE 28 HE2 PHE 28 12.148 4.388 0.725 195 HZ PHE 28 HZ PHE 28 12.169 5.576 2.883 196 H VAL 29 H VAL 29 8.258 1.496 2.742 197 HA VAL 29 HA VAL 29 7.802 1.302 -0.156 198 HB VAL 29 HB VAL 29 5.981 2.888 1.568 199 HG11 VAL 29 1HG1 VAL 29 5.552 1.007 -0.743 200 HG12 VAL 29 2HG1 VAL 29 5.604 2.769 -0.820 201 HG13 VAL 29 3HG1 VAL 29 4.296 1.961 0.046 202 HG21 VAL 29 1HG2 VAL 29 4.719 0.926 2.244 203 HG22 VAL 29 2HG2 VAL 29 6.348 0.901 2.919 204 HG23 VAL 29 3HG2 VAL 29 5.950 -0.119 1.535 205 H HIS 30 H HIS 30 7.701 3.129 -1.430 206 HA HIS 30 HA HIS 30 8.355 5.712 -0.248 207 HB2 HIS 30 1HB HIS 30 10.511 4.644 -0.870 208 HB3 HIS 30 2HB HIS 30 9.930 4.474 -2.521 209 HD1 HIS 30 HD1 HIS 30 10.830 6.182 -4.012 210 HD2 HIS 30 HD2 HIS 30 10.413 7.608 -0.123 211 HE1 HIS 30 HE1 HIS 30 11.692 8.552 -4.054 212 HE2 HIS 30 HE2 HIS 30 11.471 9.384 -1.688 213 H TYR 31 H TYR 31 7.327 7.350 -1.266 214 HA TYR 31 HA TYR 31 5.009 6.692 -2.644 215 HB2 TYR 31 1HB TYR 31 4.507 9.000 -2.694 216 HB3 TYR 31 2HB TYR 31 5.447 8.742 -1.232 217 HD1 TYR 31 HD1 TYR 31 5.215 10.514 -4.343 218 HD2 TYR 31 HD2 TYR 31 7.901 9.390 -1.243 219 HE1 TYR 31 HE1 TYR 31 6.768 12.275 -5.060 220 HE2 TYR 31 HE2 TYR 31 9.462 11.150 -1.950 221 HH TYR 31 HH TYR 31 9.980 12.453 -3.988 222 H SER 32 H SER 32 8.125 7.549 -3.958 223 HA SER 32 HA SER 32 7.180 8.238 -6.557 224 HB2 SER 32 1HB SER 32 9.945 7.299 -5.759 225 HB3 SER 32 2HB SER 32 9.514 8.224 -7.198 226 HG SER 32 HG SER 32 9.088 9.986 -5.955 227 H GLU 33 H GLU 33 7.770 5.296 -4.906 228 HA GLU 33 HA GLU 33 7.867 3.708 -7.340 229 HB2 GLU 33 1HB GLU 33 8.168 3.131 -4.419 230 HB3 GLU 33 2HB GLU 33 7.784 1.825 -5.526 231 HG2 GLU 33 1HG GLU 33 10.182 1.995 -5.060 232 HG3 GLU 33 2HG GLU 33 9.811 2.215 -6.767 233 H ILE 34 H ILE 34 5.603 4.917 -5.102 234 HA ILE 34 HA ILE 34 3.622 2.895 -5.419 235 HB ILE 34 HB ILE 34 3.329 5.746 -4.472 236 HG12 ILE 34 1HG1 ILE 34 3.582 3.150 -2.939 237 HG13 ILE 34 2HG1 ILE 34 4.804 4.412 -3.043 238 HG21 ILE 34 1HG2 ILE 34 1.408 3.430 -4.274 239 HG22 ILE 34 2HG2 ILE 34 1.208 4.870 -5.272 240 HG23 ILE 34 3HG2 ILE 34 1.193 5.007 -3.513 241 HD11 ILE 34 1HD1 ILE 34 2.096 4.649 -1.759 242 HD12 ILE 34 2HD1 ILE 34 3.269 5.957 -1.911 243 HD13 ILE 34 3HD1 ILE 34 3.652 4.539 -0.933 244 H GLN 35 H GLN 35 2.275 2.595 -7.012 245 HA GLN 35 HA GLN 35 2.233 4.424 -9.253 246 HB2 GLN 35 1HB GLN 35 0.803 1.804 -8.795 247 HB3 GLN 35 2HB GLN 35 0.880 2.671 -10.324 248 HG2 GLN 35 1HG GLN 35 3.292 1.652 -8.851 249 HG3 GLN 35 2HG GLN 35 2.459 0.749 -10.114 250 HE21 GLN 35 1HE2 GLN 35 5.193 1.919 -9.903 251 HE22 GLN 35 2HE2 GLN 35 5.381 2.863 -11.333 252 H GLY 36 H GLY 36 1.199 6.214 -8.398 253 HA2 GLY 36 1HA GLY 36 -1.152 5.989 -6.798 254 HA3 GLY 36 2HA GLY 36 -0.430 7.475 -7.384 255 H ASN 37 H ASN 37 -3.224 6.251 -7.259 256 HA ASN 37 HA ASN 37 -3.995 6.675 -10.058 257 HB2 ASN 37 1HB ASN 37 -5.626 5.669 -7.709 258 HB3 ASN 37 2HB ASN 37 -6.228 5.855 -9.351 259 HD21 ASN 37 1HD2 ASN 37 -5.561 4.420 -10.942 260 HD22 ASN 37 2HD2 ASN 37 -4.789 2.921 -10.560 261 H GLY 38 H GLY 38 -3.035 8.893 -8.842 262 HA2 GLY 38 1HA GLY 38 -4.069 11.115 -8.966 263 HA3 GLY 38 2HA GLY 38 -5.450 10.437 -8.112 264 H PHE 39 H PHE 39 -3.425 8.844 -6.521 265 HA PHE 39 HA PHE 39 -2.067 10.863 -4.950 266 HB2 PHE 39 1HB PHE 39 -3.027 10.018 -2.821 267 HB3 PHE 39 2HB PHE 39 -4.238 10.778 -3.844 268 HD1 PHE 39 HD1 PHE 39 -5.899 9.382 -5.037 269 HD2 PHE 39 HD2 PHE 39 -3.165 7.720 -2.228 270 HE1 PHE 39 HE1 PHE 39 -7.294 7.364 -4.876 271 HE2 PHE 39 HE2 PHE 39 -4.557 5.698 -2.067 272 HZ PHE 39 HZ PHE 39 -6.625 5.517 -3.391 273 H ARG 40 H ARG 40 -0.207 10.075 -4.070 274 HA ARG 40 HA ARG 40 0.333 7.214 -4.510 275 HB2 ARG 40 1HB ARG 40 2.241 9.543 -4.272 276 HB3 ARG 40 2HB ARG 40 2.729 7.863 -4.436 277 HG2 ARG 40 1HG ARG 40 1.620 7.758 -6.612 278 HG3 ARG 40 2HG ARG 40 1.153 9.451 -6.446 279 HD2 ARG 40 1HD ARG 40 3.489 10.107 -6.380 280 HD3 ARG 40 2HD ARG 40 3.981 8.417 -6.469 281 HE ARG 40 HE ARG 40 2.493 9.754 -8.641 282 HH11 ARG 40 1HH1 ARG 40 5.046 7.656 -7.504 283 HH12 ARG 40 2HH1 ARG 40 5.675 7.336 -9.085 284 HH21 ARG 40 1HH2 ARG 40 3.294 9.311 -10.740 285 HH22 ARG 40 2HH2 ARG 40 4.672 8.273 -10.931 286 H THR 41 H THR 41 -1.117 7.599 -2.364 287 HA THR 41 HA THR 41 0.772 7.576 -0.120 288 HB THR 41 HB THR 41 -1.089 8.536 1.265 289 HG1 THR 41 HG1 THR 41 -2.927 8.331 0.132 290 HG21 THR 41 1HG2 THR 41 -0.757 10.840 0.473 291 HG22 THR 41 2HG2 THR 41 -0.095 10.216 -1.039 292 HG23 THR 41 3HG2 THR 41 0.753 9.930 0.481 293 H LEU 42 H LEU 42 0.180 6.283 1.672 294 HA LEU 42 HA LEU 42 -1.793 4.193 1.077 295 HB2 LEU 42 1HB LEU 42 1.002 3.899 2.156 296 HB3 LEU 42 2HB LEU 42 -0.206 2.639 2.299 297 HG LEU 42 HG LEU 42 0.834 3.760 -0.298 298 HD11 LEU 42 1HD1 LEU 42 2.502 2.453 0.951 299 HD12 LEU 42 2HD1 LEU 42 2.001 1.665 -0.545 300 HD13 LEU 42 3HD1 LEU 42 1.373 1.099 1.003 301 HD21 LEU 42 1HD2 LEU 42 -1.424 3.000 -0.574 302 HD22 LEU 42 2HD2 LEU 42 -1.080 1.512 0.307 303 HD23 LEU 42 3HD2 LEU 42 -0.342 1.793 -1.271 304 H GLU 43 H GLU 43 -2.882 3.346 2.826 305 HA GLU 43 HA GLU 43 -2.859 5.040 5.208 306 HB2 GLU 43 1HB GLU 43 -4.893 3.097 4.119 307 HB3 GLU 43 2HB GLU 43 -5.054 3.896 5.673 308 HG2 GLU 43 1HG GLU 43 -4.843 5.305 3.027 309 HG3 GLU 43 2HG GLU 43 -6.349 4.971 3.878 310 H GLU 44 H GLU 44 -2.952 4.091 7.290 311 HA GLU 44 HA GLU 44 -1.206 1.887 7.631 312 HB2 GLU 44 1HB GLU 44 -1.454 3.786 9.220 313 HB3 GLU 44 2HB GLU 44 -3.050 3.188 9.638 314 HG2 GLU 44 1HG GLU 44 -2.017 1.096 10.423 315 HG3 GLU 44 2HG GLU 44 -0.433 1.788 10.092 316 H ASN 45 H ASN 45 -1.653 -0.165 7.568 317 HA ASN 45 HA ASN 45 -2.681 -2.168 7.732 318 HB2 ASN 45 1HB ASN 45 -4.971 -0.640 8.973 319 HB3 ASN 45 2HB ASN 45 -4.912 -2.389 8.817 320 HD21 ASN 45 1HD2 ASN 45 -3.828 0.358 10.540 321 HD22 ASN 45 2HD2 ASN 45 -2.940 -0.479 11.762 322 H GLN 46 H GLN 46 -2.900 -0.237 5.518 323 HA GLN 46 HA GLN 46 -5.345 -1.011 4.153 324 HB2 GLN 46 1HB GLN 46 -4.306 1.237 3.864 325 HB3 GLN 46 2HB GLN 46 -2.915 0.465 3.129 326 HG2 GLN 46 1HG GLN 46 -3.976 0.931 1.223 327 HG3 GLN 46 2HG GLN 46 -4.878 -0.534 1.591 328 HE21 GLN 46 1HE2 GLN 46 -4.952 2.883 1.367 329 HE22 GLN 46 2HE2 GLN 46 -6.645 3.089 1.635 330 H LYS 47 H LYS 47 -5.471 -2.572 2.556 331 HA LYS 47 HA LYS 47 -3.264 -4.399 2.321 332 HB2 LYS 47 1HB LYS 47 -6.073 -4.414 1.652 333 HB3 LYS 47 2HB LYS 47 -5.108 -4.988 0.295 334 HG2 LYS 47 1HG LYS 47 -4.778 -6.046 3.083 335 HG3 LYS 47 2HG LYS 47 -5.897 -6.748 1.912 336 HD2 LYS 47 1HD LYS 47 -4.132 -7.320 0.434 337 HD3 LYS 47 2HD LYS 47 -2.971 -6.345 1.336 338 HE2 LYS 47 1HE LYS 47 -2.698 -8.756 1.734 339 HE3 LYS 47 2HE LYS 47 -3.081 -7.863 3.202 340 HZ1 LYS 47 1HZ LYS 47 -4.312 -9.963 2.997 341 HZ2 LYS 47 2HZ LYS 47 -5.057 -9.384 1.594 342 HZ3 LYS 47 3HZ LYS 47 -5.340 -8.623 3.075 343 H VAL 48 H VAL 48 -1.953 -4.737 0.537 344 HA VAL 48 HA VAL 48 -2.061 -2.801 -1.622 345 HB VAL 48 HB VAL 48 -1.029 -1.622 0.303 346 HG11 VAL 48 1HG1 VAL 48 1.213 -2.269 1.032 347 HG12 VAL 48 2HG1 VAL 48 1.117 -3.707 0.016 348 HG13 VAL 48 3HG1 VAL 48 0.015 -3.517 1.379 349 HG21 VAL 48 1HG2 VAL 48 -0.480 -0.961 -1.971 350 HG22 VAL 48 2HG2 VAL 48 0.840 -2.131 -2.000 351 HG23 VAL 48 3HG2 VAL 48 0.904 -0.755 -0.899 352 H GLU 49 H GLU 49 -0.625 -3.239 -3.306 353 HA GLU 49 HA GLU 49 0.794 -5.816 -3.182 354 HB2 GLU 49 1HB GLU 49 -1.120 -5.941 -4.676 355 HB3 GLU 49 2HB GLU 49 -0.605 -4.483 -5.501 356 HG2 GLU 49 1HG GLU 49 1.467 -5.697 -6.171 357 HG3 GLU 49 2HG GLU 49 0.737 -7.165 -5.517 358 H PHE 50 H PHE 50 2.822 -5.878 -4.363 359 HA PHE 50 HA PHE 50 3.951 -3.465 -5.408 360 HB2 PHE 50 1HB PHE 50 5.728 -3.326 -3.594 361 HB3 PHE 50 2HB PHE 50 4.120 -2.774 -3.140 362 HD1 PHE 50 HD1 PHE 50 6.736 -5.205 -2.529 363 HD2 PHE 50 HD2 PHE 50 2.696 -4.162 -1.697 364 HE1 PHE 50 HE1 PHE 50 6.724 -6.759 -0.625 365 HE2 PHE 50 HE2 PHE 50 2.678 -5.713 0.203 366 HZ PHE 50 HZ PHE 50 4.696 -7.013 0.744 367 H GLU 51 H GLU 51 6.439 -3.757 -5.543 368 HA GLU 51 HA GLU 51 7.099 -6.582 -6.033 369 HB2 GLU 51 1HB GLU 51 6.835 -5.317 -8.140 370 HB3 GLU 51 2HB GLU 51 8.042 -4.163 -7.586 371 HG2 GLU 51 1HG GLU 51 9.743 -5.858 -7.615 372 HG3 GLU 51 2HG GLU 51 8.556 -7.092 -8.031 373 H ILE 52 H ILE 52 8.608 -7.251 -4.672 374 HA ILE 52 HA ILE 52 9.949 -5.371 -2.990 375 HB ILE 52 HB ILE 52 10.203 -8.370 -3.153 376 HG12 ILE 52 1HG1 ILE 52 8.775 -6.565 -1.196 377 HG13 ILE 52 2HG1 ILE 52 8.001 -7.547 -2.433 378 HG21 ILE 52 1HG2 ILE 52 11.340 -8.207 -0.979 379 HG22 ILE 52 2HG2 ILE 52 11.321 -6.448 -1.114 380 HG23 ILE 52 3HG2 ILE 52 12.250 -7.411 -2.263 381 HD11 ILE 52 1HD1 ILE 52 8.796 -9.567 -1.327 382 HD12 ILE 52 2HD1 ILE 52 7.825 -8.573 -0.241 383 HD13 ILE 52 3HD1 ILE 52 9.582 -8.581 -0.094 384 H GLY 53 H GLY 53 11.730 -4.381 -3.403 385 HA2 GLY 53 1HA GLY 53 13.855 -5.806 -4.878 386 HA3 GLY 53 2HA GLY 53 13.615 -4.066 -4.999 387 H GLU 54 H GLU 54 15.906 -4.024 -4.288 388 HA GLU 54 HA GLU 54 16.121 -4.413 -1.381 389 HB2 GLU 54 1HB GLU 54 18.332 -4.201 -3.423 390 HB3 GLU 54 2HB GLU 54 18.538 -4.503 -1.705 391 HG2 GLU 54 1HG GLU 54 17.339 -6.617 -1.933 392 HG3 GLU 54 2HG GLU 54 17.143 -6.317 -3.658 393 H GLY 55 H GLY 55 16.052 -2.660 -0.201 394 HA2 GLY 55 1HA GLY 55 16.573 -0.065 -1.472 395 HA3 GLY 55 2HA GLY 55 15.607 -0.324 -0.027 396 H ALA 56 H ALA 56 16.879 1.361 0.922 397 HA ALA 56 HA ALA 56 19.671 1.201 1.244 398 HB1 ALA 56 1HB ALA 56 17.646 2.651 2.939 399 HB2 ALA 56 2HB ALA 56 18.418 3.282 1.485 400 HB3 ALA 56 3HB ALA 56 19.383 2.944 2.920 401 H LYS 57 H LYS 57 17.062 0.502 3.599 402 HA LYS 57 HA LYS 57 19.095 -0.788 5.272 403 HB2 LYS 57 1HB LYS 57 16.329 0.185 5.986 404 HB3 LYS 57 2HB LYS 57 17.458 -0.566 7.105 405 HG2 LYS 57 1HG LYS 57 17.829 2.053 5.667 406 HG3 LYS 57 2HG LYS 57 17.497 1.826 7.385 407 HD2 LYS 57 1HD LYS 57 19.637 0.588 7.584 408 HD3 LYS 57 2HD LYS 57 19.967 0.954 5.891 409 HE2 LYS 57 1HE LYS 57 19.873 3.357 6.418 410 HE3 LYS 57 2HE LYS 57 19.613 2.959 8.114 411 HZ1 LYS 57 1HZ LYS 57 21.761 1.861 8.153 412 HZ2 LYS 57 2HZ LYS 57 21.933 3.469 7.662 413 HZ3 LYS 57 3HZ LYS 57 22.011 2.226 6.519 414 H GLY 58 H GLY 58 16.419 -1.498 3.288 415 HA2 GLY 58 1HA GLY 58 16.729 -4.298 3.652 416 HA3 GLY 58 2HA GLY 58 15.287 -3.723 4.480 417 HA PRO 59 HA PRO 59 14.233 -4.862 0.047 418 HB2 PRO 59 1HB PRO 59 11.730 -5.754 0.849 419 HB3 PRO 59 2HB PRO 59 13.140 -6.780 0.581 420 HG2 PRO 59 1HG PRO 59 12.048 -5.684 3.130 421 HG3 PRO 59 2HG PRO 59 12.750 -7.278 2.802 422 HD2 PRO 59 1HD PRO 59 14.148 -5.388 4.070 423 HD3 PRO 59 2HD PRO 59 14.927 -6.474 2.902 424 H GLN 60 H GLN 60 12.980 -3.642 -1.292 425 HA GLN 60 HA GLN 60 11.393 -1.527 0.007 426 HB2 GLN 60 1HB GLN 60 12.017 -0.028 -1.824 427 HB3 GLN 60 2HB GLN 60 13.431 -0.596 -0.948 428 HG2 GLN 60 1HG GLN 60 13.966 -2.146 -2.699 429 HG3 GLN 60 2HG GLN 60 12.466 -1.771 -3.544 430 HE21 GLN 60 1HE2 GLN 60 12.693 1.081 -2.947 431 HE22 GLN 60 2HE2 GLN 60 13.910 1.690 -4.008 432 H ALA 61 H ALA 61 9.457 -0.999 -0.822 433 HA ALA 61 HA ALA 61 8.247 -2.917 -2.626 434 HB1 ALA 61 1HB ALA 61 7.065 -0.567 -1.145 435 HB2 ALA 61 2HB ALA 61 7.028 -2.253 -0.626 436 HB3 ALA 61 3HB ALA 61 6.152 -1.756 -2.074 437 H GLN 62 H GLN 62 8.579 -2.608 -4.709 438 HA GLN 62 HA GLN 62 8.576 0.128 -5.780 439 HB2 GLN 62 1HB GLN 62 9.475 -2.422 -7.123 440 HB3 GLN 62 2HB GLN 62 9.711 -0.781 -7.711 441 HG2 GLN 62 1HG GLN 62 11.234 -0.294 -5.942 442 HG3 GLN 62 2HG GLN 62 10.878 -1.825 -5.147 443 HE21 GLN 62 1HE2 GLN 62 11.596 -3.746 -6.105 444 HE22 GLN 62 2HE2 GLN 62 12.928 -3.754 -7.205 445 H GLN 63 H GLN 63 7.291 0.609 -7.596 446 HA GLN 63 HA GLN 63 5.347 0.639 -8.760 447 HB2 GLN 63 1HB GLN 63 6.186 -2.234 -9.035 448 HB3 GLN 63 2HB GLN 63 4.738 -1.627 -9.820 449 HG2 GLN 63 1HG GLN 63 6.556 -1.638 -11.385 450 HG3 GLN 63 2HG GLN 63 6.111 0.025 -11.020 451 HE21 GLN 63 1HE2 GLN 63 7.566 1.353 -9.991 452 HE22 GLN 63 2HE2 GLN 63 9.212 0.906 -9.721 453 H VAL 64 H VAL 64 4.772 0.860 -6.265 454 HA VAL 64 HA VAL 64 3.326 -1.301 -5.091 455 HB VAL 64 HB VAL 64 3.196 1.566 -4.198 456 HG11 VAL 64 1HG1 VAL 64 3.014 0.546 -1.971 457 HG12 VAL 64 2HG1 VAL 64 3.032 -1.049 -2.723 458 HG13 VAL 64 3HG1 VAL 64 1.704 0.066 -3.050 459 HG21 VAL 64 1HG2 VAL 64 5.201 1.140 -2.842 460 HG22 VAL 64 2HG2 VAL 64 5.538 1.067 -4.571 461 HG23 VAL 64 3HG2 VAL 64 5.390 -0.422 -3.639 462 H HIS 65 H HIS 65 1.235 -1.744 -5.148 463 HA HIS 65 HA HIS 65 -0.584 0.171 -6.464 464 HB2 HIS 65 1HB HIS 65 -0.744 -2.850 -6.492 465 HB3 HIS 65 2HB HIS 65 -1.878 -1.759 -7.264 466 HD1 HIS 65 HD1 HIS 65 0.497 -3.992 -8.307 467 HD2 HIS 65 HD2 HIS 65 -0.030 0.060 -9.060 468 HE1 HIS 65 HE1 HIS 65 1.762 -3.526 -10.428 469 HE2 HIS 65 HE2 HIS 65 1.225 -1.128 -10.979 470 H ALA 66 H ALA 66 -1.976 0.991 -5.047 471 HA ALA 66 HA ALA 66 -2.381 -0.200 -2.477 472 HB1 ALA 66 1HB ALA 66 -3.835 2.113 -3.752 473 HB2 ALA 66 2HB ALA 66 -2.360 2.232 -2.793 474 HB3 ALA 66 3HB ALA 66 -3.856 1.677 -2.042 475 H LEU 67 H LEU 67 -3.546 -1.964 -2.272 476 HA LEU 67 HA LEU 67 -5.662 -2.636 -4.111 477 HB2 LEU 67 1HB LEU 67 -4.771 -4.019 -1.582 478 HB3 LEU 67 2HB LEU 67 -5.839 -4.692 -2.797 479 HG LEU 67 HG LEU 67 -2.922 -4.020 -3.186 480 HD11 LEU 67 1HD1 LEU 67 -3.366 -5.966 -1.735 481 HD12 LEU 67 2HD1 LEU 67 -2.576 -6.400 -3.248 482 HD13 LEU 67 3HD1 LEU 67 -4.302 -6.694 -3.040 483 HD21 LEU 67 1HD2 LEU 67 -4.898 -5.319 -5.060 484 HD22 LEU 67 2HD2 LEU 67 -3.168 -5.139 -5.349 485 HD23 LEU 67 3HD2 LEU 67 -4.197 -3.711 -5.243 486 H GLY 68 H GLY 68 -5.325 -1.600 -0.781 487 HA2 GLY 68 1HA GLY 68 -6.934 -0.323 0.377 488 HA3 GLY 68 2HA GLY 68 -8.164 -0.898 -0.741 489 H GLY 69 H GLY 69 -8.740 -3.206 -0.584 490 HA2 GLY 69 1HA GLY 69 -9.029 -5.185 0.659 491 HA3 GLY 69 2HA GLY 69 -8.241 -4.413 2.028 492 H GLU 70 H GLU 70 -9.427 -3.044 3.376 493 HA GLU 70 HA GLU 70 -12.321 -3.487 3.210 494 HB2 GLU 70 1HB GLU 70 -10.641 -2.569 5.548 495 HB3 GLU 70 2HB GLU 70 -12.370 -2.876 5.590 496 HG2 GLU 70 1HG GLU 70 -10.210 -4.906 5.069 497 HG3 GLU 70 2HG GLU 70 -11.146 -4.725 6.552 498 H ASN 71 H ASN 71 -12.389 -1.839 1.510 499 HA ASN 71 HA ASN 71 -12.656 0.839 2.709 500 HB2 ASN 71 1HB ASN 71 -11.684 0.100 -0.054 501 HB3 ASN 71 2HB ASN 71 -12.277 1.710 0.334 502 HD21 ASN 71 1HD2 ASN 71 -9.643 0.871 -0.536 503 HD22 ASN 71 2HD2 ASN 71 -8.539 1.387 0.695 504 H LEU 72 H LEU 72 -14.278 2.202 1.486 505 HA LEU 72 HA LEU 72 -16.456 2.545 0.965 506 HB2 LEU 72 1HB LEU 72 -15.928 0.099 -0.712 507 HB3 LEU 72 2HB LEU 72 -17.484 0.903 -0.707 508 HG LEU 72 HG LEU 72 -16.232 3.011 -1.418 509 HD11 LEU 72 1HD1 LEU 72 -14.101 2.663 -2.562 510 HD12 LEU 72 2HD1 LEU 72 -14.081 0.987 -2.014 511 HD13 LEU 72 3HD1 LEU 72 -13.980 2.301 -0.841 512 HD21 LEU 72 1HD2 LEU 72 -16.205 2.324 -3.765 513 HD22 LEU 72 2HD2 LEU 72 -17.639 1.731 -2.926 514 HD23 LEU 72 3HD2 LEU 72 -16.301 0.635 -3.268 515 H TYR 73 H TYR 73 -17.002 2.181 3.165 516 HA TYR 73 HA TYR 73 -17.710 -0.474 4.038 517 HB2 TYR 73 1HB TYR 73 -18.030 2.172 5.473 518 HB3 TYR 73 2HB TYR 73 -18.145 0.570 6.201 519 HD1 TYR 73 HD1 TYR 73 -16.021 -0.958 5.839 520 HD2 TYR 73 HD2 TYR 73 -16.003 3.288 5.592 521 HE1 TYR 73 HE1 TYR 73 -13.594 -0.952 6.223 522 HE2 TYR 73 HE2 TYR 73 -13.576 3.306 5.976 523 HH TYR 73 HH TYR 73 -11.660 0.586 5.673 524 H PHE 74 H PHE 74 -19.245 0.535 1.857 525 HA PHE 74 HA PHE 74 -21.909 1.022 2.858 526 HB2 PHE 74 1HB PHE 74 -21.105 1.885 0.651 527 HB3 PHE 74 2HB PHE 74 -20.990 0.228 0.079 528 HD1 PHE 74 HD1 PHE 74 -23.312 2.877 1.148 529 HD2 PHE 74 HD2 PHE 74 -22.908 -0.953 -0.663 530 HE1 PHE 74 HE1 PHE 74 -25.650 2.990 0.396 531 HE2 PHE 74 HE2 PHE 74 -25.247 -0.846 -1.417 532 HZ PHE 74 HZ PHE 74 -26.622 1.127 -0.889 533 H GLN 75 H GLN 75 -19.927 -1.562 1.732 534 HA GLN 75 HA GLN 75 -19.952 -3.792 1.957 535 HB2 GLN 75 1HB GLN 75 -20.383 -2.989 4.358 536 HB3 GLN 75 2HB GLN 75 -22.045 -3.494 4.093 537 HG2 GLN 75 1HG GLN 75 -20.785 -5.221 5.239 538 HG3 GLN 75 2HG GLN 75 -21.290 -5.772 3.643 539 HE21 GLN 75 1HE2 GLN 75 -19.117 -6.709 5.361 540 HE22 GLN 75 2HE2 GLN 75 -17.675 -6.566 4.416 541 H GLY 76 H GLY 76 -21.601 -2.759 -0.034 542 HA2 GLY 76 1HA GLY 76 -24.108 -4.206 0.018 543 HA3 GLY 76 2HA GLY 76 -23.493 -3.225 -1.302 544 H HIS 77 H HIS 77 -22.607 -6.222 0.412 545 HA HIS 77 HA HIS 77 -21.998 -7.408 -2.219 546 HB2 HIS 77 1HB HIS 77 -20.607 -7.950 0.415 547 HB3 HIS 77 2HB HIS 77 -20.296 -8.816 -1.083 548 HD1 HIS 77 HD1 HIS 77 -19.132 -7.404 -3.021 549 HD2 HIS 77 HD2 HIS 77 -19.250 -5.596 0.722 550 HE1 HIS 77 HE1 HIS 77 -17.435 -5.550 -3.109 551 HE2 HIS 77 HE2 HIS 77 -17.603 -4.402 -0.872 552 H HIS 78 H HIS 78 -24.533 -7.509 -1.158 553 HA HIS 78 HA HIS 78 -26.248 -8.931 -0.788 554 HB2 HIS 78 1HB HIS 78 -24.150 -11.054 -1.233 555 HB3 HIS 78 2HB HIS 78 -25.856 -11.402 -0.998 556 HD1 HIS 78 HD1 HIS 78 -27.317 -11.320 -3.038 557 HD2 HIS 78 HD2 HIS 78 -23.610 -9.543 -3.648 558 HE1 HIS 78 HE1 HIS 78 -27.212 -10.794 -5.495 559 HE2 HIS 78 HE2 HIS 78 -24.929 -9.787 -5.857 560 H HIS 79 H HIS 79 -23.842 -11.044 0.714 561 HA HIS 79 HA HIS 79 -25.122 -10.517 3.299 562 HB2 HIS 79 1HB HIS 79 -23.182 -12.698 2.500 563 HB3 HIS 79 2HB HIS 79 -23.882 -12.511 4.100 564 HD1 HIS 79 HD1 HIS 79 -24.259 -14.606 1.373 565 HD2 HIS 79 HD2 HIS 79 -26.977 -12.386 3.608 566 HE1 HIS 79 HE1 HIS 79 -26.494 -15.707 1.017 567 HE2 HIS 79 HE2 HIS 79 -28.136 -14.286 2.293 568 H HIS 80 H HIS 80 -21.783 -11.300 2.338 569 HA HIS 80 HA HIS 80 -20.844 -8.690 3.035 570 HB2 HIS 80 1HB HIS 80 -19.369 -9.319 4.876 571 HB3 HIS 80 2HB HIS 80 -21.046 -9.636 5.295 572 HD1 HIS 80 HD1 HIS 80 -21.655 -12.009 5.933 573 HD2 HIS 80 HD2 HIS 80 -17.799 -11.675 4.410 574 HE1 HIS 80 HE1 HIS 80 -20.555 -14.227 6.375 575 HE2 HIS 80 HE2 HIS 80 -18.260 -14.033 5.357 576 H HIS 81 H HIS 81 -20.738 -11.151 1.074 577 HA HIS 81 HA HIS 81 -18.209 -10.534 -0.048 578 HB2 HIS 81 1HB HIS 81 -17.397 -11.926 1.815 579 HB3 HIS 81 2HB HIS 81 -18.455 -13.234 1.303 580 HD1 HIS 81 HD1 HIS 81 -17.366 -14.945 -0.117 581 HD2 HIS 81 HD2 HIS 81 -15.418 -11.283 -0.330 582 HE1 HIS 81 HE1 HIS 81 -15.336 -15.342 -1.536 583 HE2 HIS 81 HE2 HIS 81 -14.068 -13.166 -1.466 584 H HIS 82 H HIS 82 -18.545 -10.738 -2.161 585 HA HIS 82 HA HIS 82 -19.624 -13.097 -3.328 586 HB2 HIS 82 1HB HIS 82 -21.726 -11.999 -2.554 587 HB3 HIS 82 2HB HIS 82 -21.327 -10.602 -3.543 588 HD1 HIS 82 HD1 HIS 82 -22.804 -13.978 -3.692 589 HD2 HIS 82 HD2 HIS 82 -21.528 -11.065 -6.367 590 HE1 HIS 82 HE1 HIS 82 -23.818 -14.602 -5.907 591 HE2 HIS 82 HE2 HIS 82 -22.923 -12.901 -7.536 Start of MODEL 8 1 H2 MET 1 2H MET 1 7.782 -10.253 -6.814 2 H MET 1 1H MET 1 6.791 -11.231 -7.770 3 H3 MET 1 3H MET 1 7.407 -9.781 -8.392 4 HA MET 1 HA MET 1 6.125 -8.499 -6.863 5 HB2 MET 1 1HB MET 1 4.579 -10.595 -8.385 6 HB3 MET 1 2HB MET 1 3.803 -9.235 -7.588 7 HG2 MET 1 1HG MET 1 5.902 -9.008 -9.730 8 HG3 MET 1 2HG MET 1 4.166 -8.882 -9.996 9 HE1 MET 1 1HE MET 1 3.253 -5.612 -8.065 10 HE2 MET 1 2HE MET 1 3.204 -7.246 -7.406 11 HE3 MET 1 3HE MET 1 2.654 -6.943 -9.054 12 H ALA 2 H ALA 2 4.800 -8.315 -5.094 13 HA ALA 2 HA ALA 2 3.990 -10.715 -3.656 14 HB1 ALA 2 1HB ALA 2 5.022 -9.958 -1.562 15 HB2 ALA 2 2HB ALA 2 5.788 -8.623 -2.424 16 HB3 ALA 2 3HB ALA 2 6.237 -10.289 -2.797 17 H GLN 3 H GLN 3 2.608 -10.144 -1.797 18 HA GLN 3 HA GLN 3 1.301 -7.533 -2.133 19 HB2 GLN 3 1HB GLN 3 -0.053 -10.175 -1.562 20 HB3 GLN 3 2HB GLN 3 -0.851 -8.612 -1.647 21 HG2 GLN 3 1HG GLN 3 -0.304 -8.421 -3.988 22 HG3 GLN 3 2HG GLN 3 0.597 -9.934 -3.926 23 HE21 GLN 3 1HE2 GLN 3 -2.516 -8.462 -4.009 24 HE22 GLN 3 2HE2 GLN 3 -3.427 -9.903 -4.266 25 H GLY 4 H GLY 4 -0.070 -7.058 -0.121 26 HA2 GLY 4 1HA GLY 4 0.303 -8.349 2.296 27 HA3 GLY 4 2HA GLY 4 1.643 -7.227 2.135 28 H THR 5 H THR 5 0.904 -6.139 3.946 29 HA THR 5 HA THR 5 -1.331 -4.313 3.395 30 HB THR 5 HB THR 5 -0.740 -5.430 6.137 31 HG1 THR 5 HG1 THR 5 -1.548 -7.209 5.224 32 HG21 THR 5 1HG2 THR 5 -3.157 -4.021 5.000 33 HG22 THR 5 2HG2 THR 5 -1.937 -3.291 6.045 34 HG23 THR 5 3HG2 THR 5 -2.971 -4.582 6.663 35 H VAL 6 H VAL 6 -0.572 -2.282 3.411 36 HA VAL 6 HA VAL 6 1.964 -1.597 4.437 37 HB VAL 6 HB VAL 6 1.278 -0.126 2.784 38 HG11 VAL 6 1HG1 VAL 6 -1.350 0.181 4.207 39 HG12 VAL 6 2HG1 VAL 6 -1.060 -0.713 2.716 40 HG13 VAL 6 3HG1 VAL 6 -0.873 1.038 2.745 41 HG21 VAL 6 1HG2 VAL 6 0.640 1.324 5.350 42 HG22 VAL 6 2HG2 VAL 6 1.071 2.075 3.813 43 HG23 VAL 6 3HG2 VAL 6 2.252 1.084 4.672 44 H LYS 7 H LYS 7 2.523 -1.601 6.464 45 HA LYS 7 HA LYS 7 0.561 -1.747 8.523 46 HB2 LYS 7 1HB LYS 7 2.519 -1.865 10.052 47 HB3 LYS 7 2HB LYS 7 2.533 -3.064 8.771 48 HG2 LYS 7 1HG LYS 7 4.218 -1.885 7.581 49 HG3 LYS 7 2HG LYS 7 4.084 -0.496 8.661 50 HD2 LYS 7 1HD LYS 7 6.054 -1.932 9.134 51 HD3 LYS 7 2HD LYS 7 4.954 -1.773 10.503 52 HE2 LYS 7 1HE LYS 7 3.939 -3.946 9.874 53 HE3 LYS 7 2HE LYS 7 5.145 -4.106 8.600 54 HZ1 LYS 7 1HZ LYS 7 5.853 -3.788 11.460 55 HZ2 LYS 7 2HZ LYS 7 6.867 -4.264 10.189 56 HZ3 LYS 7 3HZ LYS 7 5.639 -5.296 10.729 57 H TRP 8 H TRP 8 2.654 0.705 7.244 58 HA TRP 8 HA TRP 8 0.949 2.732 8.196 59 HB2 TRP 8 1HB TRP 8 2.434 3.932 9.688 60 HB3 TRP 8 2HB TRP 8 2.146 2.316 10.315 61 HD1 TRP 8 HD1 TRP 8 4.221 0.661 10.434 62 HE1 TRP 8 HE1 TRP 8 6.760 1.071 10.327 63 HE3 TRP 8 HE3 TRP 8 4.198 5.397 8.520 64 HZ2 TRP 8 HZ2 TRP 8 8.516 3.133 9.544 65 HZ3 TRP 8 HZ3 TRP 8 6.349 6.518 8.122 66 HH2 TRP 8 HH2 TRP 8 8.458 5.406 8.625 67 H PHE 9 H PHE 9 1.505 4.799 7.386 68 HA PHE 9 HA PHE 9 3.837 5.044 5.686 69 HB2 PHE 9 1HB PHE 9 2.078 3.917 4.282 70 HB3 PHE 9 2HB PHE 9 1.063 5.334 4.509 71 HD1 PHE 9 HD1 PHE 9 3.992 3.966 2.845 72 HD2 PHE 9 HD2 PHE 9 1.600 7.437 3.411 73 HE1 PHE 9 HE1 PHE 9 5.056 5.013 0.892 74 HE2 PHE 9 HE2 PHE 9 2.656 8.490 1.458 75 HZ PHE 9 HZ PHE 9 4.388 7.278 0.197 76 H ASN 10 H ASN 10 4.567 7.093 5.810 77 HA ASN 10 HA ASN 10 2.647 9.124 6.724 78 HB2 ASN 10 1HB ASN 10 4.572 10.377 7.645 79 HB3 ASN 10 2HB ASN 10 4.347 8.809 8.398 80 HD21 ASN 10 1HD2 ASN 10 6.679 10.513 8.308 81 HD22 ASN 10 2HD2 ASN 10 7.935 9.557 7.602 82 H ALA 11 H ALA 11 1.918 10.148 5.056 83 HA ALA 11 HA ALA 11 3.258 10.292 2.567 84 HB1 ALA 11 1HB ALA 11 0.817 11.782 3.511 85 HB2 ALA 11 2HB ALA 11 0.829 10.189 2.755 86 HB3 ALA 11 3HB ALA 11 1.342 11.605 1.838 87 H GLU 12 H GLU 12 3.329 12.307 5.337 88 HA GLU 12 HA GLU 12 3.925 14.782 4.165 89 HB2 GLU 12 1HB GLU 12 3.390 14.515 6.550 90 HB3 GLU 12 2HB GLU 12 4.905 13.652 6.788 91 HG2 GLU 12 1HG GLU 12 5.070 15.959 7.529 92 HG3 GLU 12 2HG GLU 12 6.157 15.636 6.181 93 H LYS 13 H LYS 13 5.978 12.089 5.144 94 HA LYS 13 HA LYS 13 8.321 13.388 4.000 95 HB2 LYS 13 1HB LYS 13 8.074 10.664 5.268 96 HB3 LYS 13 2HB LYS 13 9.564 11.525 4.914 97 HG2 LYS 13 1HG LYS 13 7.475 12.489 6.841 98 HG3 LYS 13 2HG LYS 13 8.888 11.545 7.304 99 HD2 LYS 13 1HD LYS 13 10.319 13.321 6.330 100 HD3 LYS 13 2HD LYS 13 8.863 14.273 6.035 101 HE2 LYS 13 1HE LYS 13 8.368 14.295 8.411 102 HE3 LYS 13 2HE LYS 13 9.772 13.281 8.732 103 HZ1 LYS 13 1HZ LYS 13 9.845 16.027 7.607 104 HZ2 LYS 13 2HZ LYS 13 11.192 15.056 7.915 105 HZ3 LYS 13 3HZ LYS 13 10.233 15.601 9.197 106 H GLY 14 H GLY 14 6.077 10.794 3.436 107 HA2 GLY 14 1HA GLY 14 5.449 10.083 1.283 108 HA3 GLY 14 2HA GLY 14 6.978 10.682 0.661 109 H PHE 15 H PHE 15 6.749 8.609 3.498 110 HA PHE 15 HA PHE 15 7.415 6.293 1.868 111 HB2 PHE 15 1HB PHE 15 9.403 5.716 3.041 112 HB3 PHE 15 2HB PHE 15 9.572 7.386 2.530 113 HD1 PHE 15 HD1 PHE 15 9.411 9.206 4.202 114 HD2 PHE 15 HD2 PHE 15 9.441 5.103 5.323 115 HE1 PHE 15 HE1 PHE 15 10.031 9.839 6.498 116 HE2 PHE 15 HE2 PHE 15 10.055 5.730 7.617 117 HZ PHE 15 HZ PHE 15 10.348 8.099 8.209 118 H GLY 16 H GLY 16 7.780 4.344 3.514 119 HA2 GLY 16 1HA GLY 16 6.460 4.283 5.969 120 HA3 GLY 16 2HA GLY 16 5.269 3.914 4.727 121 H PHE 17 H PHE 17 5.217 1.837 5.957 122 HA PHE 17 HA PHE 17 7.127 -0.014 4.724 123 HB2 PHE 17 1HB PHE 17 6.590 0.282 7.650 124 HB3 PHE 17 2HB PHE 17 6.930 -1.316 6.998 125 HD1 PHE 17 HD1 PHE 17 9.103 -1.840 6.053 126 HD2 PHE 17 HD2 PHE 17 8.301 1.959 7.785 127 HE1 PHE 17 HE1 PHE 17 11.516 -1.387 6.157 128 HE2 PHE 17 HE2 PHE 17 10.714 2.421 7.899 129 HZ PHE 17 HZ PHE 17 12.328 0.749 7.084 130 H ILE 18 H ILE 18 6.346 -1.985 4.225 131 HA ILE 18 HA ILE 18 3.489 -2.450 4.744 132 HB ILE 18 HB ILE 18 5.166 -3.336 2.396 133 HG12 ILE 18 1HG1 ILE 18 2.688 -1.631 2.382 134 HG13 ILE 18 2HG1 ILE 18 4.308 -0.953 2.480 135 HG21 ILE 18 1HG2 ILE 18 2.293 -3.977 3.024 136 HG22 ILE 18 2HG2 ILE 18 3.642 -5.114 2.985 137 HG23 ILE 18 3HG2 ILE 18 3.106 -4.328 1.498 138 HD11 ILE 18 1HD1 ILE 18 4.872 -1.961 0.341 139 HD12 ILE 18 2HD1 ILE 18 3.448 -0.927 0.199 140 HD13 ILE 18 3HD1 ILE 18 3.265 -2.682 0.249 141 H ALA 19 H ALA 19 2.850 -4.405 5.495 142 HA ALA 19 HA ALA 19 4.952 -6.345 6.163 143 HB1 ALA 19 1HB ALA 19 3.521 -5.623 8.024 144 HB2 ALA 19 2HB ALA 19 3.308 -7.339 7.676 145 HB3 ALA 19 3HB ALA 19 2.098 -6.172 7.140 146 HA PRO 20 HA PRO 20 3.384 -8.119 2.254 147 HB2 PRO 20 1HB PRO 20 5.632 -9.931 2.958 148 HB3 PRO 20 2HB PRO 20 5.241 -9.174 1.413 149 HG2 PRO 20 1HG PRO 20 7.233 -8.237 2.892 150 HG3 PRO 20 2HG PRO 20 6.143 -7.128 2.041 151 HD2 PRO 20 1HD PRO 20 6.235 -7.850 4.933 152 HD3 PRO 20 2HD PRO 20 5.896 -6.284 4.170 153 H ASP 21 H ASP 21 2.119 -9.816 1.847 154 HA ASP 21 HA ASP 21 1.167 -11.418 4.028 155 HB2 ASP 21 1HB ASP 21 -0.350 -10.595 2.295 156 HB3 ASP 21 2HB ASP 21 0.544 -11.480 1.067 157 H ASP 22 H ASP 22 3.702 -11.646 1.868 158 HA ASP 22 HA ASP 22 3.758 -14.502 1.529 159 HB2 ASP 22 1HB ASP 22 4.645 -12.751 -0.110 160 HB3 ASP 22 2HB ASP 22 6.026 -12.603 0.965 161 H GLY 23 H GLY 23 3.831 -13.380 4.267 162 HA2 GLY 23 1HA GLY 23 4.815 -14.521 6.135 163 HA3 GLY 23 2HA GLY 23 6.271 -14.743 5.180 164 H SER 24 H SER 24 5.209 -11.707 4.623 165 HA SER 24 HA SER 24 5.563 -9.629 5.395 166 HB2 SER 24 1HB SER 24 5.710 -11.019 8.063 167 HB3 SER 24 2HB SER 24 5.621 -9.270 7.845 168 HG SER 24 HG SER 24 3.682 -10.301 6.393 169 H ALA 25 H ALA 25 7.671 -10.136 4.151 170 HA ALA 25 HA ALA 25 9.977 -9.606 5.828 171 HB1 ALA 25 1HB ALA 25 10.308 -10.887 3.777 172 HB2 ALA 25 2HB ALA 25 11.185 -9.358 3.695 173 HB3 ALA 25 3HB ALA 25 9.663 -9.552 2.824 174 H ASP 26 H ASP 26 9.408 -7.751 6.894 175 HA ASP 26 HA ASP 26 8.011 -5.575 6.253 176 HB2 ASP 26 1HB ASP 26 10.683 -5.517 7.660 177 HB3 ASP 26 2HB ASP 26 9.495 -4.218 7.696 178 H VAL 27 H VAL 27 7.927 -4.543 4.414 179 HA VAL 27 HA VAL 27 10.423 -4.004 2.980 180 HB VAL 27 HB VAL 27 8.817 -5.451 1.821 181 HG11 VAL 27 1HG1 VAL 27 6.753 -4.612 2.741 182 HG12 VAL 27 2HG1 VAL 27 6.713 -4.542 0.978 183 HG13 VAL 27 3HG1 VAL 27 6.991 -3.070 1.912 184 HG21 VAL 27 1HG2 VAL 27 10.304 -4.081 0.501 185 HG22 VAL 27 2HG2 VAL 27 9.150 -2.749 0.548 186 HG23 VAL 27 3HG2 VAL 27 8.741 -4.242 -0.300 187 H PHE 28 H PHE 28 11.019 -2.025 2.462 188 HA PHE 28 HA PHE 28 9.673 0.197 3.722 189 HB2 PHE 28 1HB PHE 28 12.128 -0.026 3.787 190 HB3 PHE 28 2HB PHE 28 12.182 0.078 2.034 191 HD1 PHE 28 HD1 PHE 28 11.948 2.180 0.907 192 HD2 PHE 28 HD2 PHE 28 11.629 1.941 5.139 193 HE1 PHE 28 HE1 PHE 28 12.165 4.626 1.055 194 HE2 PHE 28 HE2 PHE 28 11.841 4.386 5.298 195 HZ PHE 28 HZ PHE 28 12.109 5.731 3.254 196 H VAL 29 H VAL 29 8.517 1.761 2.728 197 HA VAL 29 HA VAL 29 8.209 1.523 -0.197 198 HB VAL 29 HB VAL 29 6.130 2.816 1.510 199 HG11 VAL 29 1HG1 VAL 29 6.024 1.262 -1.063 200 HG12 VAL 29 2HG1 VAL 29 5.964 3.016 -0.899 201 HG13 VAL 29 3HG1 VAL 29 4.648 2.025 -0.270 202 HG21 VAL 29 1HG2 VAL 29 6.534 0.678 2.598 203 HG22 VAL 29 2HG2 VAL 29 6.323 -0.152 1.054 204 HG23 VAL 29 3HG2 VAL 29 4.966 0.704 1.790 205 H HIS 30 H HIS 30 8.463 3.318 -1.403 206 HA HIS 30 HA HIS 30 8.472 5.926 -0.048 207 HB2 HIS 30 1HB HIS 30 10.790 5.057 -0.761 208 HB3 HIS 30 2HB HIS 30 10.239 5.291 -2.415 209 HD1 HIS 30 HD1 HIS 30 10.954 7.464 -3.358 210 HD2 HIS 30 HD2 HIS 30 10.449 7.655 0.764 211 HE1 HIS 30 HE1 HIS 30 11.598 9.805 -2.701 212 HE2 HIS 30 HE2 HIS 30 11.500 9.819 -0.183 213 H TYR 31 H TYR 31 7.336 7.502 -1.100 214 HA TYR 31 HA TYR 31 5.150 6.599 -2.557 215 HB2 TYR 31 1HB TYR 31 4.364 8.806 -2.549 216 HB3 TYR 31 2HB TYR 31 5.366 8.691 -1.110 217 HD1 TYR 31 HD1 TYR 31 7.758 9.604 -1.252 218 HD2 TYR 31 HD2 TYR 31 4.759 10.451 -4.147 219 HE1 TYR 31 HE1 TYR 31 9.035 11.568 -1.996 220 HE2 TYR 31 HE2 TYR 31 6.026 12.412 -4.901 221 HH TYR 31 HH TYR 31 9.258 12.980 -3.989 222 H SER 32 H SER 32 8.230 7.449 -3.761 223 HA SER 32 HA SER 32 7.447 8.331 -6.343 224 HB2 SER 32 1HB SER 32 9.893 7.698 -6.871 225 HB3 SER 32 2HB SER 32 9.611 8.959 -5.668 226 HG SER 32 HG SER 32 10.473 6.296 -5.320 227 H GLU 33 H GLU 33 7.748 5.220 -4.866 228 HA GLU 33 HA GLU 33 7.771 3.847 -7.448 229 HB2 GLU 33 1HB GLU 33 8.011 2.879 -4.606 230 HB3 GLU 33 2HB GLU 33 7.796 1.780 -5.957 231 HG2 GLU 33 1HG GLU 33 10.111 1.876 -5.413 232 HG3 GLU 33 2HG GLU 33 9.866 2.679 -6.960 233 H ILE 34 H ILE 34 5.605 4.909 -5.061 234 HA ILE 34 HA ILE 34 3.618 2.899 -5.386 235 HB ILE 34 HB ILE 34 3.341 5.700 -4.301 236 HG12 ILE 34 1HG1 ILE 34 3.734 3.066 -2.875 237 HG13 ILE 34 2HG1 ILE 34 4.941 4.336 -3.038 238 HG21 ILE 34 1HG2 ILE 34 1.190 4.798 -4.994 239 HG22 ILE 34 2HG2 ILE 34 1.290 4.876 -3.234 240 HG23 ILE 34 3HG2 ILE 34 1.491 3.331 -4.063 241 HD11 ILE 34 1HD1 ILE 34 3.547 5.840 -1.737 242 HD12 ILE 34 2HD1 ILE 34 3.896 4.360 -0.843 243 HD13 ILE 34 3HD1 ILE 34 2.318 4.589 -1.596 244 H GLN 35 H GLN 35 1.860 2.852 -6.636 245 HA GLN 35 HA GLN 35 1.813 4.736 -8.879 246 HB2 GLN 35 1HB GLN 35 0.654 1.964 -8.567 247 HB3 GLN 35 2HB GLN 35 0.515 2.954 -10.014 248 HG2 GLN 35 1HG GLN 35 3.114 2.054 -8.809 249 HG3 GLN 35 2HG GLN 35 2.290 1.240 -10.137 250 HE21 GLN 35 1HE2 GLN 35 4.915 2.564 -9.982 251 HE22 GLN 35 2HE2 GLN 35 4.916 3.738 -11.249 252 H GLY 36 H GLY 36 0.273 6.222 -8.905 253 HA2 GLY 36 1HA GLY 36 -2.379 5.613 -7.889 254 HA3 GLY 36 2HA GLY 36 -1.504 6.878 -7.036 255 H ASN 37 H ASN 37 -3.870 7.489 -8.202 256 HA ASN 37 HA ASN 37 -3.372 8.612 -10.836 257 HB2 ASN 37 1HB ASN 37 -5.831 8.482 -9.089 258 HB3 ASN 37 2HB ASN 37 -5.788 9.400 -10.587 259 HD21 ASN 37 1HD2 ASN 37 -7.383 8.130 -11.495 260 HD22 ASN 37 2HD2 ASN 37 -7.081 6.519 -12.047 261 H GLY 38 H GLY 38 -1.713 9.736 -8.961 262 HA2 GLY 38 1HA GLY 38 -1.230 12.169 -9.103 263 HA3 GLY 38 2HA GLY 38 -2.888 12.425 -8.579 264 H PHE 39 H PHE 39 -2.868 10.282 -6.648 265 HA PHE 39 HA PHE 39 -1.018 11.414 -4.662 266 HB2 PHE 39 1HB PHE 39 -3.745 10.180 -4.300 267 HB3 PHE 39 2HB PHE 39 -2.633 10.445 -2.963 268 HD1 PHE 39 HD1 PHE 39 -1.844 12.799 -2.512 269 HD2 PHE 39 HD2 PHE 39 -5.118 11.903 -5.077 270 HE1 PHE 39 HE1 PHE 39 -2.648 15.111 -2.288 271 HE2 PHE 39 HE2 PHE 39 -5.929 14.213 -4.857 272 HZ PHE 39 HZ PHE 39 -4.691 15.819 -3.461 273 H ARG 40 H ARG 40 0.692 10.162 -4.654 274 HA ARG 40 HA ARG 40 0.433 7.273 -4.898 275 HB2 ARG 40 1HB ARG 40 2.893 9.010 -4.650 276 HB3 ARG 40 2HB ARG 40 2.875 7.298 -5.031 277 HG2 ARG 40 1HG ARG 40 1.640 7.789 -7.097 278 HG3 ARG 40 2HG ARG 40 1.742 9.510 -6.722 279 HD2 ARG 40 1HD ARG 40 4.189 9.360 -6.767 280 HD3 ARG 40 2HD ARG 40 4.069 7.649 -7.173 281 HE ARG 40 HE ARG 40 2.802 9.596 -8.952 282 HH11 ARG 40 1HH1 ARG 40 5.323 7.243 -8.365 283 HH12 ARG 40 2HH1 ARG 40 5.861 7.213 -10.011 284 HH21 ARG 40 1HH2 ARG 40 3.494 9.561 -11.126 285 HH22 ARG 40 2HH2 ARG 40 4.814 8.537 -11.591 286 H THR 41 H THR 41 -0.815 7.643 -2.762 287 HA THR 41 HA THR 41 1.058 7.525 -0.501 288 HB THR 41 HB THR 41 -0.877 8.382 0.873 289 HG1 THR 41 HG1 THR 41 -2.690 8.259 -0.286 290 HG21 THR 41 1HG2 THR 41 0.965 9.837 0.230 291 HG22 THR 41 2HG2 THR 41 -0.559 10.726 0.182 292 HG23 THR 41 3HG2 THR 41 0.186 10.167 -1.317 293 H LEU 42 H LEU 42 0.261 6.301 1.361 294 HA LEU 42 HA LEU 42 -1.580 4.139 0.642 295 HB2 LEU 42 1HB LEU 42 1.142 3.929 1.902 296 HB3 LEU 42 2HB LEU 42 -0.062 2.671 2.095 297 HG LEU 42 HG LEU 42 1.038 3.601 -0.551 298 HD11 LEU 42 1HD1 LEU 42 1.648 1.107 1.021 299 HD12 LEU 42 2HD1 LEU 42 2.734 2.480 0.808 300 HD13 LEU 42 3HD1 LEU 42 2.261 1.507 -0.583 301 HD21 LEU 42 1HD2 LEU 42 -0.043 1.536 -1.393 302 HD22 LEU 42 2HD2 LEU 42 -1.194 2.728 -0.790 303 HD23 LEU 42 3HD2 LEU 42 -0.788 1.321 0.192 304 H GLU 43 H GLU 43 -2.806 3.323 2.307 305 HA GLU 43 HA GLU 43 -2.982 5.066 4.647 306 HB2 GLU 43 1HB GLU 43 -4.940 3.150 3.387 307 HB3 GLU 43 2HB GLU 43 -5.226 3.953 4.921 308 HG2 GLU 43 1HG GLU 43 -4.761 5.354 2.303 309 HG3 GLU 43 2HG GLU 43 -6.340 5.056 3.030 310 H GLU 44 H GLU 44 -2.905 4.274 6.694 311 HA GLU 44 HA GLU 44 -1.326 2.005 7.163 312 HB2 GLU 44 1HB GLU 44 -1.470 3.971 8.652 313 HB3 GLU 44 2HB GLU 44 -3.109 3.509 9.075 314 HG2 GLU 44 1HG GLU 44 -2.234 1.401 9.993 315 HG3 GLU 44 2HG GLU 44 -0.604 1.964 9.653 316 H ASN 45 H ASN 45 -1.810 -0.049 7.409 317 HA ASN 45 HA ASN 45 -2.921 -1.995 7.670 318 HB2 ASN 45 1HB ASN 45 -4.889 -0.171 8.999 319 HB3 ASN 45 2HB ASN 45 -5.304 -1.854 8.702 320 HD21 ASN 45 1HD2 ASN 45 -3.375 0.335 10.525 321 HD22 ASN 45 2HD2 ASN 45 -2.728 -0.814 11.636 322 H GLN 46 H GLN 46 -3.071 -0.363 5.283 323 HA GLN 46 HA GLN 46 -5.570 -1.369 4.112 324 HB2 GLN 46 1HB GLN 46 -5.023 1.027 3.781 325 HB3 GLN 46 2HB GLN 46 -3.532 0.555 2.980 326 HG2 GLN 46 1HG GLN 46 -4.784 -0.522 1.215 327 HG3 GLN 46 2HG GLN 46 -6.298 -0.136 2.028 328 HE21 GLN 46 1HE2 GLN 46 -3.608 1.111 0.249 329 HE22 GLN 46 2HE2 GLN 46 -4.314 2.637 -0.155 330 H LYS 47 H LYS 47 -5.507 -2.786 2.365 331 HA LYS 47 HA LYS 47 -3.176 -4.429 2.202 332 HB2 LYS 47 1HB LYS 47 -5.719 -4.448 0.575 333 HB3 LYS 47 2HB LYS 47 -4.462 -5.674 0.479 334 HG2 LYS 47 1HG LYS 47 -6.106 -5.011 2.911 335 HG3 LYS 47 2HG LYS 47 -6.315 -6.413 1.866 336 HD2 LYS 47 1HD LYS 47 -3.812 -5.801 3.430 337 HD3 LYS 47 2HD LYS 47 -5.084 -6.895 3.971 338 HE2 LYS 47 1HE LYS 47 -3.516 -7.221 1.414 339 HE3 LYS 47 2HE LYS 47 -3.146 -8.048 2.924 340 HZ1 LYS 47 1HZ LYS 47 -5.702 -8.291 1.431 341 HZ2 LYS 47 2HZ LYS 47 -5.287 -9.126 2.839 342 HZ3 LYS 47 3HZ LYS 47 -4.447 -9.423 1.404 343 H VAL 48 H VAL 48 -1.962 -4.865 0.291 344 HA VAL 48 HA VAL 48 -1.983 -2.888 -1.814 345 HB VAL 48 HB VAL 48 -0.893 -1.713 0.050 346 HG11 VAL 48 1HG1 VAL 48 -0.005 -3.640 1.222 347 HG12 VAL 48 2HG1 VAL 48 1.265 -2.460 0.894 348 HG13 VAL 48 3HG1 VAL 48 1.143 -3.921 -0.088 349 HG21 VAL 48 1HG2 VAL 48 -0.230 -1.134 -2.192 350 HG22 VAL 48 2HG2 VAL 48 0.960 -2.437 -2.207 351 HG23 VAL 48 3HG2 VAL 48 1.168 -1.064 -1.119 352 H GLU 49 H GLU 49 -0.632 -3.408 -3.535 353 HA GLU 49 HA GLU 49 0.777 -5.989 -3.385 354 HB2 GLU 49 1HB GLU 49 -1.231 -6.147 -4.786 355 HB3 GLU 49 2HB GLU 49 -0.688 -4.774 -5.734 356 HG2 GLU 49 1HG GLU 49 1.243 -6.049 -6.490 357 HG3 GLU 49 2HG GLU 49 0.706 -7.430 -5.532 358 H PHE 50 H PHE 50 2.832 -6.045 -4.358 359 HA PHE 50 HA PHE 50 3.927 -3.658 -5.553 360 HB2 PHE 50 1HB PHE 50 5.604 -3.353 -3.684 361 HB3 PHE 50 2HB PHE 50 3.954 -2.890 -3.288 362 HD1 PHE 50 HD1 PHE 50 6.705 -5.109 -2.514 363 HD2 PHE 50 HD2 PHE 50 2.564 -4.363 -1.869 364 HE1 PHE 50 HE1 PHE 50 6.732 -6.618 -0.573 365 HE2 PHE 50 HE2 PHE 50 2.587 -5.871 0.067 366 HZ PHE 50 HZ PHE 50 4.673 -7.001 0.717 367 H GLU 51 H GLU 51 6.305 -3.870 -5.862 368 HA GLU 51 HA GLU 51 7.114 -6.690 -6.097 369 HB2 GLU 51 1HB GLU 51 7.069 -5.441 -8.226 370 HB3 GLU 51 2HB GLU 51 8.168 -4.249 -7.545 371 HG2 GLU 51 1HG GLU 51 9.344 -5.795 -8.994 372 HG3 GLU 51 2HG GLU 51 9.895 -5.945 -7.327 373 H ILE 52 H ILE 52 8.947 -7.359 -5.050 374 HA ILE 52 HA ILE 52 9.934 -5.456 -3.073 375 HB ILE 52 HB ILE 52 10.204 -8.454 -3.206 376 HG12 ILE 52 1HG1 ILE 52 8.673 -6.611 -1.363 377 HG13 ILE 52 2HG1 ILE 52 7.974 -7.641 -2.606 378 HG21 ILE 52 1HG2 ILE 52 11.225 -6.523 -1.133 379 HG22 ILE 52 2HG2 ILE 52 12.206 -7.507 -2.217 380 HG23 ILE 52 3HG2 ILE 52 11.221 -8.278 -0.972 381 HD11 ILE 52 1HD1 ILE 52 8.727 -9.614 -1.391 382 HD12 ILE 52 2HD1 ILE 52 7.685 -8.596 -0.397 383 HD13 ILE 52 3HD1 ILE 52 9.432 -8.579 -0.148 384 H GLY 53 H GLY 53 11.650 -4.355 -3.545 385 HA2 GLY 53 1HA GLY 53 13.825 -5.665 -5.049 386 HA3 GLY 53 2HA GLY 53 13.553 -3.929 -4.995 387 H GLU 54 H GLU 54 15.611 -3.467 -4.222 388 HA GLU 54 HA GLU 54 16.056 -4.266 -1.428 389 HB2 GLU 54 1HB GLU 54 17.618 -5.359 -3.066 390 HB3 GLU 54 2HB GLU 54 18.207 -3.757 -3.482 391 HG2 GLU 54 1HG GLU 54 19.741 -4.714 -1.949 392 HG3 GLU 54 2HG GLU 54 18.854 -3.452 -1.096 393 H GLY 55 H GLY 55 16.307 -2.636 -0.054 394 HA2 GLY 55 1HA GLY 55 16.878 0.039 -1.155 395 HA3 GLY 55 2HA GLY 55 15.624 -0.220 0.048 396 H ALA 56 H ALA 56 16.826 1.370 1.302 397 HA ALA 56 HA ALA 56 19.442 0.641 2.260 398 HB1 ALA 56 1HB ALA 56 17.616 2.854 3.179 399 HB2 ALA 56 2HB ALA 56 18.816 2.988 1.893 400 HB3 ALA 56 3HB ALA 56 19.331 2.686 3.553 401 H LYS 57 H LYS 57 16.152 0.703 3.555 402 HA LYS 57 HA LYS 57 17.134 -0.354 6.104 403 HB2 LYS 57 1HB LYS 57 14.317 0.496 5.434 404 HB3 LYS 57 2HB LYS 57 15.010 0.251 7.031 405 HG2 LYS 57 1HG LYS 57 15.719 2.435 5.086 406 HG3 LYS 57 2HG LYS 57 14.794 2.609 6.576 407 HD2 LYS 57 1HD LYS 57 16.726 2.020 7.897 408 HD3 LYS 57 2HD LYS 57 17.656 1.667 6.438 409 HE2 LYS 57 1HE LYS 57 17.409 4.029 5.753 410 HE3 LYS 57 2HE LYS 57 16.576 4.357 7.272 411 HZ1 LYS 57 1HZ LYS 57 18.929 4.948 7.356 412 HZ2 LYS 57 2HZ LYS 57 19.356 3.341 7.038 413 HZ3 LYS 57 3HZ LYS 57 18.555 3.736 8.474 414 H GLY 58 H GLY 58 17.004 -1.938 3.639 415 HA2 GLY 58 1HA GLY 58 16.670 -4.376 3.859 416 HA3 GLY 58 2HA GLY 58 15.085 -3.999 4.527 417 HA PRO 59 HA PRO 59 14.320 -4.751 0.053 418 HB2 PRO 59 1HB PRO 59 11.751 -5.604 0.496 419 HB3 PRO 59 2HB PRO 59 13.155 -6.670 0.450 420 HG2 PRO 59 1HG PRO 59 11.687 -5.564 2.790 421 HG3 PRO 59 2HG PRO 59 12.412 -7.162 2.572 422 HD2 PRO 59 1HD PRO 59 13.572 -5.206 4.043 423 HD3 PRO 59 2HD PRO 59 14.506 -6.428 3.159 424 H GLN 60 H GLN 60 13.061 -3.517 -1.353 425 HA GLN 60 HA GLN 60 11.466 -1.398 -0.075 426 HB2 GLN 60 1HB GLN 60 12.131 0.135 -1.846 427 HB3 GLN 60 2HB GLN 60 13.544 -0.479 -1.003 428 HG2 GLN 60 1HG GLN 60 14.084 -1.935 -2.800 429 HG3 GLN 60 2HG GLN 60 12.549 -1.609 -3.602 430 HE21 GLN 60 1HE2 GLN 60 14.411 0.899 -2.072 431 HE22 GLN 60 2HE2 GLN 60 14.903 1.693 -3.525 432 H ALA 61 H ALA 61 9.534 -0.872 -0.966 433 HA ALA 61 HA ALA 61 8.382 -2.857 -2.733 434 HB1 ALA 61 1HB ALA 61 7.140 -0.462 -1.381 435 HB2 ALA 61 2HB ALA 61 7.125 -2.121 -0.780 436 HB3 ALA 61 3HB ALA 61 6.263 -1.711 -2.265 437 H GLN 62 H GLN 62 8.520 -2.659 -4.831 438 HA GLN 62 HA GLN 62 8.685 0.023 -6.036 439 HB2 GLN 62 1HB GLN 62 9.410 -2.629 -7.287 440 HB3 GLN 62 2HB GLN 62 9.757 -1.031 -7.923 441 HG2 GLN 62 1HG GLN 62 11.280 -0.605 -6.084 442 HG3 GLN 62 2HG GLN 62 10.906 -2.186 -5.397 443 HE21 GLN 62 1HE2 GLN 62 11.586 -4.046 -6.499 444 HE22 GLN 62 2HE2 GLN 62 12.899 -3.998 -7.620 445 H GLN 63 H GLN 63 7.320 0.539 -7.757 446 HA GLN 63 HA GLN 63 5.309 0.617 -8.833 447 HB2 GLN 63 1HB GLN 63 5.809 -2.353 -9.084 448 HB3 GLN 63 2HB GLN 63 4.665 -1.431 -10.045 449 HG2 GLN 63 1HG GLN 63 7.642 -1.011 -10.018 450 HG3 GLN 63 2HG GLN 63 6.751 -1.913 -11.242 451 HE21 GLN 63 1HE2 GLN 63 7.585 1.209 -10.024 452 HE22 GLN 63 2HE2 GLN 63 6.910 2.124 -11.327 453 H VAL 64 H VAL 64 4.738 0.920 -6.384 454 HA VAL 64 HA VAL 64 3.339 -1.278 -5.149 455 HB VAL 64 HB VAL 64 3.343 1.549 -4.146 456 HG11 VAL 64 1HG1 VAL 64 3.281 -1.118 -2.763 457 HG12 VAL 64 2HG1 VAL 64 1.934 0.003 -2.952 458 HG13 VAL 64 3HG1 VAL 64 3.321 0.446 -1.955 459 HG21 VAL 64 1HG2 VAL 64 5.443 1.047 -2.958 460 HG22 VAL 64 2HG2 VAL 64 5.642 1.087 -4.709 461 HG23 VAL 64 3HG2 VAL 64 5.567 -0.459 -3.865 462 H HIS 65 H HIS 65 1.278 -1.734 -5.475 463 HA HIS 65 HA HIS 65 -0.541 0.441 -6.298 464 HB2 HIS 65 1HB HIS 65 -0.628 -2.497 -6.988 465 HB3 HIS 65 2HB HIS 65 -1.950 -1.386 -7.301 466 HD1 HIS 65 HD1 HIS 65 -1.847 -0.055 -9.434 467 HD2 HIS 65 HD2 HIS 65 1.742 -1.943 -8.528 468 HE1 HIS 65 HE1 HIS 65 -0.405 0.214 -11.478 469 HE2 HIS 65 HE2 HIS 65 1.737 -0.994 -10.934 470 H ALA 66 H ALA 66 -2.026 0.938 -4.849 471 HA ALA 66 HA ALA 66 -2.297 -0.553 -2.437 472 HB1 ALA 66 1HB ALA 66 -3.963 1.735 -3.472 473 HB2 ALA 66 2HB ALA 66 -2.499 1.887 -2.502 474 HB3 ALA 66 3HB ALA 66 -3.936 1.129 -1.815 475 H LEU 67 H LEU 67 -3.687 -2.101 -1.943 476 HA LEU 67 HA LEU 67 -5.585 -2.946 -3.984 477 HB2 LEU 67 1HB LEU 67 -4.673 -4.272 -1.432 478 HB3 LEU 67 2HB LEU 67 -5.820 -4.971 -2.555 479 HG LEU 67 HG LEU 67 -2.914 -4.375 -3.107 480 HD11 LEU 67 1HD1 LEU 67 -3.348 -6.317 -1.654 481 HD12 LEU 67 2HD1 LEU 67 -2.660 -6.768 -3.213 482 HD13 LEU 67 3HD1 LEU 67 -4.383 -6.998 -2.910 483 HD21 LEU 67 1HD2 LEU 67 -5.037 -5.552 -4.897 484 HD22 LEU 67 2HD2 LEU 67 -3.310 -5.508 -5.255 485 HD23 LEU 67 3HD2 LEU 67 -4.219 -4.004 -5.112 486 H GLY 68 H GLY 68 -7.162 -1.360 -3.744 487 HA2 GLY 68 1HA GLY 68 -8.346 -0.816 -1.173 488 HA3 GLY 68 2HA GLY 68 -8.868 -0.173 -2.720 489 H GLY 69 H GLY 69 -8.521 -3.538 -1.696 490 HA2 GLY 69 1HA GLY 69 -11.342 -3.966 -2.383 491 HA3 GLY 69 2HA GLY 69 -10.110 -5.217 -2.277 492 H GLU 70 H GLU 70 -12.804 -4.689 -0.937 493 HA GLU 70 HA GLU 70 -11.872 -5.196 1.804 494 HB2 GLU 70 1HB GLU 70 -12.813 -2.875 1.496 495 HB3 GLU 70 2HB GLU 70 -14.349 -3.616 1.081 496 HG2 GLU 70 1HG GLU 70 -12.987 -4.154 3.698 497 HG3 GLU 70 2HG GLU 70 -14.037 -2.761 3.460 498 H ASN 71 H ASN 71 -12.492 -7.121 2.464 499 HA ASN 71 HA ASN 71 -15.076 -8.191 1.643 500 HB2 ASN 71 1HB ASN 71 -13.441 -9.056 0.001 501 HB3 ASN 71 2HB ASN 71 -12.483 -9.723 1.319 502 HD21 ASN 71 1HD2 ASN 71 -15.435 -9.982 -0.498 503 HD22 ASN 71 2HD2 ASN 71 -15.849 -11.581 0.014 504 H LEU 72 H LEU 72 -15.855 -8.071 3.675 505 HA LEU 72 HA LEU 72 -16.250 -8.576 5.843 506 HB2 LEU 72 1HB LEU 72 -14.549 -10.985 5.196 507 HB3 LEU 72 2HB LEU 72 -15.458 -10.785 6.682 508 HG LEU 72 HG LEU 72 -16.627 -10.997 3.906 509 HD11 LEU 72 1HD1 LEU 72 -15.742 -13.103 4.777 510 HD12 LEU 72 2HD1 LEU 72 -17.503 -13.127 4.692 511 HD13 LEU 72 3HD1 LEU 72 -16.698 -12.898 6.244 512 HD21 LEU 72 1HD2 LEU 72 -18.792 -11.052 5.047 513 HD22 LEU 72 2HD2 LEU 72 -17.962 -9.520 5.310 514 HD23 LEU 72 3HD2 LEU 72 -17.989 -10.737 6.585 515 H TYR 73 H TYR 73 -14.145 -6.794 5.285 516 HA TYR 73 HA TYR 73 -12.008 -7.452 7.151 517 HB2 TYR 73 1HB TYR 73 -11.454 -6.320 5.033 518 HB3 TYR 73 2HB TYR 73 -12.479 -4.965 5.486 519 HD1 TYR 73 HD1 TYR 73 -11.460 -3.112 6.414 520 HD2 TYR 73 HD2 TYR 73 -9.576 -6.904 6.835 521 HE1 TYR 73 HE1 TYR 73 -9.555 -2.034 7.530 522 HE2 TYR 73 HE2 TYR 73 -7.664 -5.833 7.949 523 HH TYR 73 HH TYR 73 -6.606 -3.663 8.125 524 H PHE 74 H PHE 74 -13.287 -7.560 9.047 525 HA PHE 74 HA PHE 74 -14.347 -4.991 9.999 526 HB2 PHE 74 1HB PHE 74 -14.784 -7.811 11.004 527 HB3 PHE 74 2HB PHE 74 -15.410 -6.373 11.801 528 HD1 PHE 74 HD1 PHE 74 -15.868 -8.749 9.135 529 HD2 PHE 74 HD2 PHE 74 -17.088 -4.958 10.633 530 HE1 PHE 74 HE1 PHE 74 -17.868 -8.831 7.703 531 HE2 PHE 74 HE2 PHE 74 -19.089 -5.032 9.205 532 HZ PHE 74 HZ PHE 74 -19.482 -6.971 7.738 533 H GLN 75 H GLN 75 -12.353 -4.061 10.483 534 HA GLN 75 HA GLN 75 -10.479 -5.398 12.210 535 HB2 GLN 75 1HB GLN 75 -9.851 -3.807 10.354 536 HB3 GLN 75 2HB GLN 75 -10.485 -2.503 11.347 537 HG2 GLN 75 1HG GLN 75 -8.059 -2.678 11.509 538 HG3 GLN 75 2HG GLN 75 -8.843 -2.967 13.061 539 HE21 GLN 75 1HE2 GLN 75 -7.067 -4.093 13.848 540 HE22 GLN 75 2HE2 GLN 75 -6.677 -5.691 13.312 541 H GLY 76 H GLY 76 -12.286 -5.679 13.826 542 HA2 GLY 76 1HA GLY 76 -11.792 -4.100 16.078 543 HA3 GLY 76 2HA GLY 76 -13.275 -3.521 15.332 544 H HIS 77 H HIS 77 -12.581 -5.030 17.879 545 HA HIS 77 HA HIS 77 -13.476 -6.619 19.215 546 HB2 HIS 77 1HB HIS 77 -15.725 -6.454 17.202 547 HB3 HIS 77 2HB HIS 77 -15.818 -7.372 18.702 548 HD1 HIS 77 HD1 HIS 77 -16.542 -4.118 17.346 549 HD2 HIS 77 HD2 HIS 77 -15.360 -5.590 21.051 550 HE1 HIS 77 HE1 HIS 77 -17.096 -2.309 19.003 551 HE2 HIS 77 HE2 HIS 77 -16.217 -3.155 21.205 552 H HIS 78 H HIS 78 -11.670 -7.378 17.159 553 HA HIS 78 HA HIS 78 -12.305 -10.237 17.071 554 HB2 HIS 78 1HB HIS 78 -11.398 -8.566 14.725 555 HB3 HIS 78 2HB HIS 78 -11.175 -10.309 14.779 556 HD1 HIS 78 HD1 HIS 78 -13.257 -8.121 13.162 557 HD2 HIS 78 HD2 HIS 78 -14.035 -11.388 15.618 558 HE1 HIS 78 HE1 HIS 78 -15.595 -8.859 12.594 559 HE2 HIS 78 HE2 HIS 78 -16.097 -10.728 14.199 560 H HIS 79 H HIS 79 -10.593 -8.380 18.656 561 HA HIS 79 HA HIS 79 -7.878 -8.914 17.926 562 HB2 HIS 79 1HB HIS 79 -8.552 -6.934 19.283 563 HB3 HIS 79 2HB HIS 79 -8.988 -8.015 20.599 564 HD1 HIS 79 HD1 HIS 79 -6.062 -6.453 18.901 565 HD2 HIS 79 HD2 HIS 79 -6.803 -9.131 21.998 566 HE1 HIS 79 HE1 HIS 79 -3.887 -6.675 20.144 567 HE2 HIS 79 HE2 HIS 79 -4.316 -8.421 21.903 568 H HIS 80 H HIS 80 -6.997 -10.851 18.054 569 HA HIS 80 HA HIS 80 -8.156 -12.921 19.674 570 HB2 HIS 80 1HB HIS 80 -5.678 -12.872 17.942 571 HB3 HIS 80 2HB HIS 80 -6.274 -14.308 18.770 572 HD1 HIS 80 HD1 HIS 80 -6.943 -12.095 15.847 573 HD2 HIS 80 HD2 HIS 80 -8.628 -15.424 17.675 574 HE1 HIS 80 HE1 HIS 80 -8.629 -12.978 14.212 575 HE2 HIS 80 HE2 HIS 80 -9.772 -14.869 15.423 576 H HIS 81 H HIS 81 -7.212 -13.983 21.424 577 HA HIS 81 HA HIS 81 -5.310 -12.280 22.891 578 HB2 HIS 81 1HB HIS 81 -7.494 -14.101 23.922 579 HB3 HIS 81 2HB HIS 81 -6.312 -13.302 24.952 580 HD1 HIS 81 HD1 HIS 81 -6.988 -11.083 25.832 581 HD2 HIS 81 HD2 HIS 81 -9.150 -12.143 22.442 582 HE1 HIS 81 HE1 HIS 81 -8.726 -9.287 25.545 583 HE2 HIS 81 HE2 HIS 81 -10.102 -10.018 23.567 584 H HIS 82 H HIS 82 -3.490 -13.358 21.989 585 HA HIS 82 HA HIS 82 -2.933 -15.866 23.405 586 HB2 HIS 82 1HB HIS 82 -2.369 -15.275 20.505 587 HB3 HIS 82 2HB HIS 82 -1.470 -16.494 21.396 588 HD1 HIS 82 HD1 HIS 82 -4.224 -16.256 19.196 589 HD2 HIS 82 HD2 HIS 82 -3.481 -18.403 22.679 590 HE1 HIS 82 HE1 HIS 82 -5.834 -18.186 19.160 591 HE2 HIS 82 HE2 HIS 82 -5.249 -19.557 21.189 Start of MODEL 9 1 H2 MET 1 2H MET 1 6.600 -11.127 -7.846 2 H MET 1 1H MET 1 7.037 -9.673 -8.594 3 H3 MET 1 3H MET 1 7.478 -9.964 -6.988 4 HA MET 1 HA MET 1 5.633 -8.424 -7.125 5 HB2 MET 1 1HB MET 1 4.658 -9.276 -9.209 6 HB3 MET 1 2HB MET 1 4.221 -10.776 -8.405 7 HG2 MET 1 1HG MET 1 2.727 -9.520 -6.913 8 HG3 MET 1 2HG MET 1 3.134 -8.039 -7.777 9 HE1 MET 1 1HE MET 1 2.555 -7.632 -10.347 10 HE2 MET 1 2HE MET 1 1.686 -8.791 -11.351 11 HE3 MET 1 3HE MET 1 3.318 -9.156 -10.794 12 H ALA 2 H ALA 2 4.782 -8.229 -5.158 13 HA ALA 2 HA ALA 2 3.939 -10.629 -3.706 14 HB1 ALA 2 1HB ALA 2 5.817 -8.543 -2.591 15 HB2 ALA 2 2HB ALA 2 6.240 -10.209 -2.993 16 HB3 ALA 2 3HB ALA 2 5.104 -9.878 -1.684 17 H GLN 3 H GLN 3 2.622 -10.092 -1.816 18 HA GLN 3 HA GLN 3 1.444 -7.406 -1.969 19 HB2 GLN 3 1HB GLN 3 -0.022 -10.003 -1.503 20 HB3 GLN 3 2HB GLN 3 -0.736 -8.408 -1.338 21 HG2 GLN 3 1HG GLN 3 -0.254 -7.988 -3.719 22 HG3 GLN 3 2HG GLN 3 0.345 -9.640 -3.856 23 HE21 GLN 3 1HE2 GLN 3 -1.862 -8.386 -5.247 24 HE22 GLN 3 2HE2 GLN 3 -3.274 -9.305 -4.848 25 H GLY 4 H GLY 4 0.190 -6.948 0.103 26 HA2 GLY 4 1HA GLY 4 0.710 -8.339 2.467 27 HA3 GLY 4 2HA GLY 4 1.976 -7.140 2.265 28 H THR 5 H THR 5 1.247 -6.156 4.162 29 HA THR 5 HA THR 5 -1.016 -4.348 3.695 30 HB THR 5 HB THR 5 -0.499 -5.613 6.387 31 HG1 THR 5 HG1 THR 5 -1.138 -7.251 4.906 32 HG21 THR 5 1HG2 THR 5 -2.758 -4.820 6.875 33 HG22 THR 5 2HG2 THR 5 -2.894 -4.180 5.236 34 HG23 THR 5 3HG2 THR 5 -1.724 -3.485 6.359 35 H VAL 6 H VAL 6 -0.307 -2.320 3.886 36 HA VAL 6 HA VAL 6 2.261 -1.734 4.934 37 HB VAL 6 HB VAL 6 1.682 -0.262 3.248 38 HG11 VAL 6 1HG1 VAL 6 -0.665 -0.780 3.109 39 HG12 VAL 6 2HG1 VAL 6 -0.430 0.967 3.136 40 HG13 VAL 6 3HG1 VAL 6 -0.974 0.130 4.589 41 HG21 VAL 6 1HG2 VAL 6 2.633 0.955 5.135 42 HG22 VAL 6 2HG2 VAL 6 1.011 1.229 5.780 43 HG23 VAL 6 3HG2 VAL 6 1.485 1.958 4.245 44 H LYS 7 H LYS 7 2.815 -1.621 6.945 45 HA LYS 7 HA LYS 7 0.847 -1.671 9.015 46 HB2 LYS 7 1HB LYS 7 2.807 -1.773 10.536 47 HB3 LYS 7 2HB LYS 7 2.818 -3.006 9.285 48 HG2 LYS 7 1HG LYS 7 4.502 -1.877 8.064 49 HG3 LYS 7 2HG LYS 7 4.357 -0.438 9.073 50 HD2 LYS 7 1HD LYS 7 6.340 -1.811 9.625 51 HD3 LYS 7 2HD LYS 7 5.226 -1.631 10.980 52 HE2 LYS 7 1HE LYS 7 4.296 -3.838 10.510 53 HE3 LYS 7 2HE LYS 7 5.394 -4.018 9.145 54 HZ1 LYS 7 1HZ LYS 7 6.198 -3.732 11.988 55 HZ2 LYS 7 2HZ LYS 7 7.255 -3.899 10.681 56 HZ3 LYS 7 3HZ LYS 7 6.221 -5.167 11.093 57 H TRP 8 H TRP 8 2.988 0.685 7.631 58 HA TRP 8 HA TRP 8 1.365 2.798 8.600 59 HB2 TRP 8 1HB TRP 8 3.013 4.006 9.925 60 HB3 TRP 8 2HB TRP 8 2.699 2.436 10.645 61 HD1 TRP 8 HD1 TRP 8 4.697 0.731 10.789 62 HE1 TRP 8 HE1 TRP 8 7.237 0.982 10.456 63 HE3 TRP 8 HE3 TRP 8 4.776 5.277 8.447 64 HZ2 TRP 8 HZ2 TRP 8 9.029 2.852 9.362 65 HZ3 TRP 8 HZ3 TRP 8 6.949 6.222 7.791 66 HH2 TRP 8 HH2 TRP 8 9.027 5.031 8.239 67 H PHE 9 H PHE 9 1.826 4.762 7.576 68 HA PHE 9 HA PHE 9 4.050 4.764 5.692 69 HB2 PHE 9 1HB PHE 9 2.029 3.894 4.502 70 HB3 PHE 9 2HB PHE 9 1.233 5.428 4.829 71 HD1 PHE 9 HD1 PHE 9 3.993 3.809 3.026 72 HD2 PHE 9 HD2 PHE 9 1.720 7.367 3.541 73 HE1 PHE 9 HE1 PHE 9 4.995 4.740 0.981 74 HE2 PHE 9 HE2 PHE 9 2.716 8.304 1.498 75 HZ PHE 9 HZ PHE 9 4.356 6.991 0.216 76 H ASN 10 H ASN 10 5.107 6.564 5.851 77 HA ASN 10 HA ASN 10 3.906 8.903 7.105 78 HB2 ASN 10 1HB ASN 10 6.172 8.116 7.784 79 HB3 ASN 10 2HB ASN 10 6.743 8.418 6.150 80 HD21 ASN 10 1HD2 ASN 10 7.623 9.525 8.682 81 HD22 ASN 10 2HD2 ASN 10 7.471 11.240 8.536 82 H ALA 11 H ALA 11 2.579 9.815 5.609 83 HA ALA 11 HA ALA 11 3.208 9.946 2.832 84 HB1 ALA 11 1HB ALA 11 1.090 11.410 4.395 85 HB2 ALA 11 2HB ALA 11 0.905 9.836 3.621 86 HB3 ALA 11 3HB ALA 11 1.172 11.277 2.638 87 H GLU 12 H GLU 12 3.835 11.960 5.551 88 HA GLU 12 HA GLU 12 4.178 14.439 4.251 89 HB2 GLU 12 1HB GLU 12 3.960 14.275 6.673 90 HB3 GLU 12 2HB GLU 12 5.450 13.346 6.767 91 HG2 GLU 12 1HG GLU 12 6.721 15.263 6.006 92 HG3 GLU 12 2HG GLU 12 5.239 16.199 5.833 93 H LYS 13 H LYS 13 6.395 11.819 5.028 94 HA LYS 13 HA LYS 13 8.560 13.162 3.611 95 HB2 LYS 13 1HB LYS 13 8.560 10.562 5.136 96 HB3 LYS 13 2HB LYS 13 9.975 11.403 4.520 97 HG2 LYS 13 1HG LYS 13 8.088 12.460 6.605 98 HG3 LYS 13 2HG LYS 13 9.659 11.729 6.922 99 HD2 LYS 13 1HD LYS 13 10.744 13.500 5.641 100 HD3 LYS 13 2HD LYS 13 9.171 14.224 5.307 101 HE2 LYS 13 1HE LYS 13 8.824 14.596 7.688 102 HE3 LYS 13 2HE LYS 13 10.374 13.836 8.043 103 HZ1 LYS 13 1HZ LYS 13 11.487 15.593 6.845 104 HZ2 LYS 13 2HZ LYS 13 10.514 16.256 8.058 105 HZ3 LYS 13 3HZ LYS 13 10.011 16.313 6.445 106 H GLY 14 H GLY 14 6.277 10.630 3.245 107 HA2 GLY 14 1HA GLY 14 5.594 9.761 1.194 108 HA3 GLY 14 2HA GLY 14 7.074 10.363 0.468 109 H PHE 15 H PHE 15 7.054 8.390 3.379 110 HA PHE 15 HA PHE 15 7.619 6.000 1.823 111 HB2 PHE 15 1HB PHE 15 9.732 5.516 2.839 112 HB3 PHE 15 2HB PHE 15 9.826 7.132 2.159 113 HD1 PHE 15 HD1 PHE 15 10.100 9.062 3.580 114 HD2 PHE 15 HD2 PHE 15 9.703 5.167 5.250 115 HE1 PHE 15 HE1 PHE 15 10.906 9.906 5.748 116 HE2 PHE 15 HE2 PHE 15 10.502 6.011 7.415 117 HZ PHE 15 HZ PHE 15 11.104 8.382 7.667 118 H GLY 16 H GLY 16 7.800 4.055 3.238 119 HA2 GLY 16 1HA GLY 16 6.855 4.186 5.931 120 HA3 GLY 16 2HA GLY 16 5.570 3.735 4.818 121 H PHE 17 H PHE 17 5.607 1.722 6.127 122 HA PHE 17 HA PHE 17 7.432 -0.163 4.824 123 HB2 PHE 17 1HB PHE 17 7.107 0.212 7.767 124 HB3 PHE 17 2HB PHE 17 7.358 -1.414 7.144 125 HD1 PHE 17 HD1 PHE 17 8.851 1.900 7.569 126 HD2 PHE 17 HD2 PHE 17 9.452 -2.070 6.176 127 HE1 PHE 17 HE1 PHE 17 11.273 2.314 7.457 128 HE2 PHE 17 HE2 PHE 17 11.874 -1.668 6.057 129 HZ PHE 17 HZ PHE 17 12.790 0.527 6.699 130 H ILE 18 H ILE 18 6.576 -2.009 4.224 131 HA ILE 18 HA ILE 18 3.774 -2.520 4.934 132 HB ILE 18 HB ILE 18 5.331 -3.329 2.482 133 HG12 ILE 18 1HG1 ILE 18 2.823 -1.679 2.630 134 HG13 ILE 18 2HG1 ILE 18 4.427 -0.961 2.687 135 HG21 ILE 18 1HG2 ILE 18 3.874 -5.149 3.097 136 HG22 ILE 18 2HG2 ILE 18 3.232 -4.327 1.672 137 HG23 ILE 18 3HG2 ILE 18 2.510 -4.041 3.256 138 HD11 ILE 18 1HD1 ILE 18 4.932 -1.874 0.494 139 HD12 ILE 18 2HD1 ILE 18 3.465 -0.892 0.442 140 HD13 ILE 18 3HD1 ILE 18 3.349 -2.653 0.444 141 H ALA 19 H ALA 19 3.190 -4.449 5.750 142 HA ALA 19 HA ALA 19 5.305 -6.409 6.264 143 HB1 ALA 19 1HB ALA 19 2.474 -6.275 7.313 144 HB2 ALA 19 2HB ALA 19 3.917 -5.733 8.172 145 HB3 ALA 19 3HB ALA 19 3.704 -7.444 7.797 146 HA PRO 20 HA PRO 20 3.636 -8.087 2.356 147 HB2 PRO 20 1HB PRO 20 5.936 -9.885 2.890 148 HB3 PRO 20 2HB PRO 20 5.486 -9.047 1.404 149 HG2 PRO 20 1HG PRO 20 7.514 -8.166 2.860 150 HG3 PRO 20 2HG PRO 20 6.375 -7.022 2.125 151 HD2 PRO 20 1HD PRO 20 6.560 -7.959 4.954 152 HD3 PRO 20 2HD PRO 20 6.226 -6.334 4.325 153 H ASP 21 H ASP 21 2.459 -9.856 1.885 154 HA ASP 21 HA ASP 21 1.601 -11.580 4.003 155 HB2 ASP 21 1HB ASP 21 0.119 -10.818 2.151 156 HB3 ASP 21 2HB ASP 21 1.075 -11.778 1.028 157 H ASP 22 H ASP 22 4.184 -11.514 1.941 158 HA ASP 22 HA ASP 22 4.554 -14.328 1.511 159 HB2 ASP 22 1HB ASP 22 5.289 -12.567 -0.093 160 HB3 ASP 22 2HB ASP 22 6.489 -12.046 1.078 161 H GLY 23 H GLY 23 4.418 -13.217 4.307 162 HA2 GLY 23 1HA GLY 23 5.393 -14.383 6.167 163 HA3 GLY 23 2HA GLY 23 6.890 -14.494 5.260 164 H SER 24 H SER 24 5.214 -11.523 5.221 165 HA SER 24 HA SER 24 5.627 -9.468 6.016 166 HB2 SER 24 1HB SER 24 5.855 -9.333 8.523 167 HB3 SER 24 2HB SER 24 4.470 -10.244 7.927 168 HG SER 24 HG SER 24 6.774 -11.717 8.360 169 H ALA 25 H ALA 25 7.845 -10.249 4.685 170 HA ALA 25 HA ALA 25 10.127 -9.418 6.254 171 HB1 ALA 25 1HB ALA 25 10.460 -10.925 4.349 172 HB2 ALA 25 2HB ALA 25 11.332 -9.410 4.120 173 HB3 ALA 25 3HB ALA 25 9.819 -9.692 3.262 174 H ASP 26 H ASP 26 9.258 -7.507 7.105 175 HA ASP 26 HA ASP 26 7.786 -5.555 6.004 176 HB2 ASP 26 1HB ASP 26 10.102 -5.059 7.875 177 HB3 ASP 26 2HB ASP 26 8.728 -3.982 7.619 178 H VAL 27 H VAL 27 7.899 -4.411 4.302 179 HA VAL 27 HA VAL 27 10.512 -3.940 3.060 180 HB VAL 27 HB VAL 27 8.988 -5.402 1.822 181 HG11 VAL 27 1HG1 VAL 27 7.160 -3.019 1.772 182 HG12 VAL 27 2HG1 VAL 27 6.863 -4.575 2.554 183 HG13 VAL 27 3HG1 VAL 27 6.954 -4.475 0.795 184 HG21 VAL 27 1HG2 VAL 27 9.378 -2.744 0.481 185 HG22 VAL 27 2HG2 VAL 27 9.086 -4.285 -0.328 186 HG23 VAL 27 3HG2 VAL 27 10.573 -4.036 0.590 187 H PHE 28 H PHE 28 11.111 -1.966 2.383 188 HA PHE 28 HA PHE 28 9.847 0.294 3.642 189 HB2 PHE 28 1HB PHE 28 12.268 0.069 3.636 190 HB3 PHE 28 2HB PHE 28 12.287 0.027 1.880 191 HD1 PHE 28 HD1 PHE 28 12.265 2.015 0.601 192 HD2 PHE 28 HD2 PHE 28 11.708 2.173 4.816 193 HE1 PHE 28 HE1 PHE 28 12.585 4.453 0.547 194 HE2 PHE 28 HE2 PHE 28 12.021 4.611 4.769 195 HZ PHE 28 HZ PHE 28 12.460 5.754 2.633 196 H VAL 29 H VAL 29 8.330 1.523 2.728 197 HA VAL 29 HA VAL 29 7.836 1.244 -0.142 198 HB VAL 29 HB VAL 29 6.128 2.913 1.650 199 HG11 VAL 29 1HG1 VAL 29 5.660 2.888 -0.736 200 HG12 VAL 29 2HG1 VAL 29 4.352 2.124 0.166 201 HG13 VAL 29 3HG1 VAL 29 5.522 1.129 -0.700 202 HG21 VAL 29 1HG2 VAL 29 4.829 0.960 2.299 203 HG22 VAL 29 2HG2 VAL 29 6.483 0.866 2.909 204 HG23 VAL 29 3HG2 VAL 29 6.004 -0.090 1.504 205 H HIS 30 H HIS 30 7.722 2.993 -1.550 206 HA HIS 30 HA HIS 30 8.507 5.619 -0.514 207 HB2 HIS 30 1HB HIS 30 10.452 4.315 -1.549 208 HB3 HIS 30 2HB HIS 30 9.615 4.488 -3.086 209 HD1 HIS 30 HD1 HIS 30 11.046 6.109 -4.305 210 HD2 HIS 30 HD2 HIS 30 10.193 7.360 -0.431 211 HE1 HIS 30 HE1 HIS 30 12.026 8.421 -4.105 212 HE2 HIS 30 HE2 HIS 30 11.370 9.215 -1.804 213 H TYR 31 H TYR 31 7.279 7.228 -1.304 214 HA TYR 31 HA TYR 31 4.801 6.536 -2.361 215 HB2 TYR 31 1HB TYR 31 4.230 8.825 -2.240 216 HB3 TYR 31 2HB TYR 31 5.366 8.537 -0.931 217 HD1 TYR 31 HD1 TYR 31 4.664 10.439 -3.891 218 HD2 TYR 31 HD2 TYR 31 7.775 9.264 -1.240 219 HE1 TYR 31 HE1 TYR 31 6.052 12.289 -4.713 220 HE2 TYR 31 HE2 TYR 31 9.170 11.114 -2.050 221 HH TYR 31 HH TYR 31 9.326 12.498 -4.200 222 H SER 32 H SER 32 7.673 7.576 -4.065 223 HA SER 32 HA SER 32 6.304 8.345 -6.453 224 HB2 SER 32 1HB SER 32 8.715 8.090 -7.395 225 HB3 SER 32 2HB SER 32 8.400 9.349 -6.197 226 HG SER 32 HG SER 32 9.582 6.798 -5.785 227 H GLU 33 H GLU 33 7.250 5.378 -5.074 228 HA GLU 33 HA GLU 33 7.196 3.915 -7.580 229 HB2 GLU 33 1HB GLU 33 7.726 3.211 -4.713 230 HB3 GLU 33 2HB GLU 33 7.351 1.945 -5.869 231 HG2 GLU 33 1HG GLU 33 9.792 2.388 -5.437 232 HG3 GLU 33 2HG GLU 33 9.292 2.366 -7.124 233 H ILE 34 H ILE 34 5.068 4.945 -5.140 234 HA ILE 34 HA ILE 34 3.105 2.922 -5.341 235 HB ILE 34 HB ILE 34 2.798 5.824 -4.552 236 HG12 ILE 34 1HG1 ILE 34 3.090 3.328 -2.863 237 HG13 ILE 34 2HG1 ILE 34 4.327 4.555 -3.097 238 HG21 ILE 34 1HG2 ILE 34 0.665 4.880 -5.245 239 HG22 ILE 34 2HG2 ILE 34 0.695 5.123 -3.497 240 HG23 ILE 34 3HG2 ILE 34 0.906 3.504 -4.167 241 HD11 ILE 34 1HD1 ILE 34 3.254 4.854 -0.963 242 HD12 ILE 34 2HD1 ILE 34 1.671 4.925 -1.737 243 HD13 ILE 34 3HD1 ILE 34 2.849 6.204 -2.025 244 H GLN 35 H GLN 35 1.602 2.571 -6.788 245 HA GLN 35 HA GLN 35 1.764 3.961 -9.292 246 HB2 GLN 35 1HB GLN 35 -0.030 1.721 -8.355 247 HB3 GLN 35 2HB GLN 35 0.084 2.291 -10.012 248 HG2 GLN 35 1HG GLN 35 2.306 1.056 -8.406 249 HG3 GLN 35 2HG GLN 35 1.382 0.266 -9.681 250 HE21 GLN 35 1HE2 GLN 35 3.904 2.501 -8.932 251 HE22 GLN 35 2HE2 GLN 35 4.471 2.723 -10.549 252 H GLY 36 H GLY 36 0.277 5.277 -10.216 253 HA2 GLY 36 1HA GLY 36 -1.177 6.963 -8.528 254 HA3 GLY 36 2HA GLY 36 -1.301 6.924 -10.278 255 H ASN 37 H ASN 37 -2.801 6.181 -7.326 256 HA ASN 37 HA ASN 37 -5.092 5.014 -8.780 257 HB2 ASN 37 1HB ASN 37 -4.049 3.600 -6.941 258 HB3 ASN 37 2HB ASN 37 -4.573 4.832 -5.800 259 HD21 ASN 37 1HD2 ASN 37 -5.949 3.474 -4.699 260 HD22 ASN 37 2HD2 ASN 37 -7.427 2.885 -5.376 261 H GLY 38 H GLY 38 -4.472 7.755 -8.771 262 HA2 GLY 38 1HA GLY 38 -5.803 9.689 -8.540 263 HA3 GLY 38 2HA GLY 38 -6.715 8.883 -7.265 264 H PHE 39 H PHE 39 -3.913 8.013 -6.345 265 HA PHE 39 HA PHE 39 -2.713 10.387 -5.292 266 HB2 PHE 39 1HB PHE 39 -3.043 9.654 -2.891 267 HB3 PHE 39 2HB PHE 39 -4.487 10.279 -3.678 268 HD1 PHE 39 HD1 PHE 39 -2.832 7.276 -2.378 269 HD2 PHE 39 HD2 PHE 39 -6.369 8.858 -4.134 270 HE1 PHE 39 HE1 PHE 39 -4.040 5.218 -1.788 271 HE2 PHE 39 HE2 PHE 39 -7.584 6.802 -3.547 272 HZ PHE 39 HZ PHE 39 -6.421 4.978 -2.372 273 H ARG 40 H ARG 40 -0.669 9.951 -4.387 274 HA ARG 40 HA ARG 40 0.265 7.178 -4.710 275 HB2 ARG 40 1HB ARG 40 1.745 9.799 -4.744 276 HB3 ARG 40 2HB ARG 40 2.563 8.253 -4.604 277 HG2 ARG 40 1HG ARG 40 1.604 7.575 -6.761 278 HG3 ARG 40 2HG ARG 40 0.853 9.168 -6.903 279 HD2 ARG 40 1HD ARG 40 3.010 10.237 -6.890 280 HD3 ARG 40 2HD ARG 40 3.810 8.698 -6.579 281 HE ARG 40 HE ARG 40 2.286 8.648 -8.991 282 HH11 ARG 40 1HH1 ARG 40 5.297 9.742 -7.598 283 HH12 ARG 40 2HH1 ARG 40 6.174 9.669 -9.090 284 HH21 ARG 40 1HH2 ARG 40 3.432 8.548 -10.967 285 HH22 ARG 40 2HH2 ARG 40 5.108 8.985 -11.010 286 H THR 41 H THR 41 -1.099 7.298 -2.525 287 HA THR 41 HA THR 41 0.893 7.458 -0.400 288 HB THR 41 HB THR 41 -0.990 8.433 1.074 289 HG1 THR 41 HG1 THR 41 -2.748 8.515 -0.201 290 HG21 THR 41 1HG2 THR 41 1.062 9.633 0.541 291 HG22 THR 41 2HG2 THR 41 -0.322 10.725 0.506 292 HG23 THR 41 3HG2 THR 41 0.377 10.140 -1.004 293 H LEU 42 H LEU 42 0.509 6.160 1.377 294 HA LEU 42 HA LEU 42 -1.632 4.178 1.049 295 HB2 LEU 42 1HB LEU 42 1.161 3.876 2.131 296 HB3 LEU 42 2HB LEU 42 -0.093 2.683 2.396 297 HG LEU 42 HG LEU 42 1.024 3.506 -0.281 298 HD11 LEU 42 1HD1 LEU 42 1.302 0.947 1.277 299 HD12 LEU 42 2HD1 LEU 42 2.557 2.165 1.065 300 HD13 LEU 42 3HD1 LEU 42 1.956 1.267 -0.327 301 HD21 LEU 42 1HD2 LEU 42 -1.308 2.932 -0.519 302 HD22 LEU 42 2HD2 LEU 42 -1.082 1.475 0.449 303 HD23 LEU 42 3HD2 LEU 42 -0.321 1.606 -1.137 304 H GLU 43 H GLU 43 -2.465 3.287 3.026 305 HA GLU 43 HA GLU 43 -2.288 5.170 5.278 306 HB2 GLU 43 1HB GLU 43 -4.581 3.411 4.399 307 HB3 GLU 43 2HB GLU 43 -4.564 4.351 5.884 308 HG2 GLU 43 1HG GLU 43 -4.347 6.405 4.546 309 HG3 GLU 43 2HG GLU 43 -4.459 5.429 3.080 310 H GLU 44 H GLU 44 -2.648 4.160 7.403 311 HA GLU 44 HA GLU 44 -1.036 1.887 7.803 312 HB2 GLU 44 1HB GLU 44 -1.447 3.635 9.510 313 HB3 GLU 44 2HB GLU 44 -3.113 3.093 9.637 314 HG2 GLU 44 1HG GLU 44 -2.232 0.854 10.304 315 HG3 GLU 44 2HG GLU 44 -0.634 1.588 10.392 316 H ASN 45 H ASN 45 -1.574 -0.206 8.251 317 HA ASN 45 HA ASN 45 -2.596 -2.166 7.901 318 HB2 ASN 45 1HB ASN 45 -4.764 -2.518 8.993 319 HB3 ASN 45 2HB ASN 45 -3.638 -1.654 10.018 320 HD21 ASN 45 1HD2 ASN 45 -4.089 0.411 10.648 321 HD22 ASN 45 2HD2 ASN 45 -5.618 1.166 10.380 322 H GLN 46 H GLN 46 -2.598 -0.422 5.706 323 HA GLN 46 HA GLN 46 -5.066 -1.054 4.283 324 HB2 GLN 46 1HB GLN 46 -4.192 1.168 3.913 325 HB3 GLN 46 2HB GLN 46 -2.607 0.526 3.515 326 HG2 GLN 46 1HG GLN 46 -3.545 1.087 1.463 327 HG3 GLN 46 2HG GLN 46 -3.745 -0.657 1.580 328 HE21 GLN 46 1HE2 GLN 46 -5.287 2.391 1.462 329 HE22 GLN 46 2HE2 GLN 46 -6.912 1.816 1.358 330 H LYS 47 H LYS 47 -5.198 -2.639 2.776 331 HA LYS 47 HA LYS 47 -3.023 -4.482 2.497 332 HB2 LYS 47 1HB LYS 47 -5.720 -4.289 1.168 333 HB3 LYS 47 2HB LYS 47 -4.551 -5.545 0.781 334 HG2 LYS 47 1HG LYS 47 -5.667 -5.041 3.527 335 HG3 LYS 47 2HG LYS 47 -6.285 -6.247 2.401 336 HD2 LYS 47 1HD LYS 47 -3.445 -6.162 3.405 337 HD3 LYS 47 2HD LYS 47 -4.719 -7.146 4.125 338 HE2 LYS 47 1HE LYS 47 -3.722 -7.341 1.283 339 HE3 LYS 47 2HE LYS 47 -3.334 -8.452 2.590 340 HZ1 LYS 47 1HZ LYS 47 -5.999 -7.993 1.369 341 HZ2 LYS 47 2HZ LYS 47 -5.751 -8.921 2.757 342 HZ3 LYS 47 3HZ LYS 47 -5.067 -9.403 1.287 343 H VAL 48 H VAL 48 -1.758 -4.837 0.687 344 HA VAL 48 HA VAL 48 -1.875 -2.879 -1.450 345 HB VAL 48 HB VAL 48 -0.784 -1.702 0.402 346 HG11 VAL 48 1HG1 VAL 48 1.263 -3.901 0.247 347 HG12 VAL 48 2HG1 VAL 48 0.129 -3.617 1.569 348 HG13 VAL 48 3HG1 VAL 48 1.394 -2.438 1.224 349 HG21 VAL 48 1HG2 VAL 48 1.274 -1.036 -0.773 350 HG22 VAL 48 2HG2 VAL 48 -0.136 -1.097 -1.831 351 HG23 VAL 48 3HG2 VAL 48 1.056 -2.397 -1.874 352 H GLU 49 H GLU 49 -0.563 -3.353 -3.184 353 HA GLU 49 HA GLU 49 0.856 -5.930 -3.139 354 HB2 GLU 49 1HB GLU 49 -1.162 -6.093 -4.472 355 HB3 GLU 49 2HB GLU 49 -0.739 -4.635 -5.348 356 HG2 GLU 49 1HG GLU 49 1.172 -5.755 -6.330 357 HG3 GLU 49 2HG GLU 49 0.793 -7.219 -5.421 358 H PHE 50 H PHE 50 2.868 -5.966 -4.232 359 HA PHE 50 HA PHE 50 3.905 -3.549 -5.393 360 HB2 PHE 50 1HB PHE 50 5.683 -3.310 -3.594 361 HB3 PHE 50 2HB PHE 50 4.059 -2.806 -3.140 362 HD1 PHE 50 HD1 PHE 50 6.775 -5.098 -2.472 363 HD2 PHE 50 HD2 PHE 50 2.677 -4.258 -1.694 364 HE1 PHE 50 HE1 PHE 50 6.825 -6.625 -0.545 365 HE2 PHE 50 HE2 PHE 50 2.722 -5.784 0.226 366 HZ PHE 50 HZ PHE 50 4.798 -6.968 0.806 367 H GLU 51 H GLU 51 6.176 -3.726 -5.947 368 HA GLU 51 HA GLU 51 7.042 -6.515 -6.317 369 HB2 GLU 51 1HB GLU 51 6.678 -5.085 -8.363 370 HB3 GLU 51 2HB GLU 51 7.969 -4.040 -7.790 371 HG2 GLU 51 1HG GLU 51 8.774 -5.570 -9.485 372 HG3 GLU 51 2HG GLU 51 9.541 -5.892 -7.931 373 H ILE 52 H ILE 52 8.574 -7.115 -4.910 374 HA ILE 52 HA ILE 52 9.791 -5.166 -3.221 375 HB ILE 52 HB ILE 52 10.262 -8.137 -3.403 376 HG12 ILE 52 1HG1 ILE 52 8.677 -6.468 -1.447 377 HG13 ILE 52 2HG1 ILE 52 7.988 -7.471 -2.717 378 HG21 ILE 52 1HG2 ILE 52 12.211 -7.020 -2.468 379 HG22 ILE 52 2HG2 ILE 52 11.347 -7.911 -1.213 380 HG23 ILE 52 3HG2 ILE 52 11.181 -6.159 -1.326 381 HD11 ILE 52 1HD1 ILE 52 9.585 -8.440 -0.360 382 HD12 ILE 52 2HD1 ILE 52 8.917 -9.456 -1.637 383 HD13 ILE 52 3HD1 ILE 52 7.838 -8.565 -0.565 384 H GLY 53 H GLY 53 11.434 -3.981 -3.761 385 HA2 GLY 53 1HA GLY 53 13.633 -5.186 -5.313 386 HA3 GLY 53 2HA GLY 53 13.345 -3.455 -5.143 387 H GLU 54 H GLU 54 15.795 -3.899 -4.524 388 HA GLU 54 HA GLU 54 15.933 -4.552 -1.671 389 HB2 GLU 54 1HB GLU 54 17.423 -5.782 -3.244 390 HB3 GLU 54 2HB GLU 54 18.196 -4.257 -3.644 391 HG2 GLU 54 1HG GLU 54 19.484 -5.577 -2.029 392 HG3 GLU 54 2HG GLU 54 18.991 -4.010 -1.385 393 H GLY 55 H GLY 55 16.818 -3.143 -0.190 394 HA2 GLY 55 1HA GLY 55 17.357 -0.413 -1.174 395 HA3 GLY 55 2HA GLY 55 16.303 -0.695 0.203 396 H ALA 56 H ALA 56 17.919 0.817 1.178 397 HA ALA 56 HA ALA 56 20.574 -0.151 1.654 398 HB1 ALA 56 1HB ALA 56 20.083 2.241 1.504 399 HB2 ALA 56 2HB ALA 56 20.829 1.827 3.049 400 HB3 ALA 56 3HB ALA 56 19.094 2.127 2.960 401 H LYS 57 H LYS 57 17.716 0.320 3.734 402 HA LYS 57 HA LYS 57 18.998 -1.421 5.734 403 HB2 LYS 57 1HB LYS 57 16.915 0.739 6.043 404 HB3 LYS 57 2HB LYS 57 17.347 -0.377 7.331 405 HG2 LYS 57 1HG LYS 57 19.646 0.432 7.268 406 HG3 LYS 57 2HG LYS 57 19.217 1.548 5.971 407 HD2 LYS 57 1HD LYS 57 17.688 2.718 7.435 408 HD3 LYS 57 2HD LYS 57 17.978 1.548 8.721 409 HE2 LYS 57 1HE LYS 57 20.056 3.374 7.522 410 HE3 LYS 57 2HE LYS 57 19.225 3.650 9.050 411 HZ1 LYS 57 1HZ LYS 57 20.974 1.330 8.440 412 HZ2 LYS 57 2HZ LYS 57 20.196 1.620 9.910 413 HZ3 LYS 57 3HZ LYS 57 21.410 2.667 9.377 414 H GLY 58 H GLY 58 17.587 -2.344 3.401 415 HA2 GLY 58 1HA GLY 58 16.420 -4.571 3.870 416 HA3 GLY 58 2HA GLY 58 15.183 -3.548 4.593 417 HA PRO 59 HA PRO 59 14.589 -4.334 -0.110 418 HB2 PRO 59 1HB PRO 59 12.061 -5.395 0.296 419 HB3 PRO 59 2HB PRO 59 13.524 -6.337 0.011 420 HG2 PRO 59 1HG PRO 59 12.164 -5.672 2.581 421 HG3 PRO 59 2HG PRO 59 12.936 -7.186 2.077 422 HD2 PRO 59 1HD PRO 59 14.162 -5.509 3.751 423 HD3 PRO 59 2HD PRO 59 15.075 -6.376 2.499 424 H GLN 60 H GLN 60 13.032 -3.240 -1.416 425 HA GLN 60 HA GLN 60 11.408 -1.282 0.052 426 HB2 GLN 60 1HB GLN 60 12.011 0.469 -1.499 427 HB3 GLN 60 2HB GLN 60 13.466 -0.199 -0.769 428 HG2 GLN 60 1HG GLN 60 13.919 -1.471 -2.780 429 HG3 GLN 60 2HG GLN 60 12.427 -0.879 -3.510 430 HE21 GLN 60 1HE2 GLN 60 15.675 -0.119 -2.615 431 HE22 GLN 60 2HE2 GLN 60 15.767 1.398 -3.439 432 H ALA 61 H ALA 61 9.466 -0.742 -0.811 433 HA ALA 61 HA ALA 61 8.364 -2.700 -2.627 434 HB1 ALA 61 1HB ALA 61 6.211 -1.705 -2.071 435 HB2 ALA 61 2HB ALA 61 7.024 -0.393 -1.217 436 HB3 ALA 61 3HB ALA 61 7.138 -2.045 -0.608 437 H GLN 62 H GLN 62 8.401 -2.447 -4.716 438 HA GLN 62 HA GLN 62 8.362 0.266 -5.859 439 HB2 GLN 62 1HB GLN 62 9.330 -2.327 -7.074 440 HB3 GLN 62 2HB GLN 62 9.423 -0.741 -7.827 441 HG2 GLN 62 1HG GLN 62 11.043 0.009 -6.296 442 HG3 GLN 62 2HG GLN 62 10.749 -1.342 -5.206 443 HE21 GLN 62 1HE2 GLN 62 10.688 -3.332 -7.282 444 HE22 GLN 62 2HE2 GLN 62 12.315 -3.546 -7.817 445 H GLN 63 H GLN 63 6.959 0.640 -7.647 446 HA GLN 63 HA GLN 63 4.917 0.569 -8.653 447 HB2 GLN 63 1HB GLN 63 5.699 -2.339 -8.824 448 HB3 GLN 63 2HB GLN 63 4.257 -1.692 -9.587 449 HG2 GLN 63 1HG GLN 63 5.923 -1.834 -11.252 450 HG3 GLN 63 2HG GLN 63 5.732 -0.129 -10.857 451 HE21 GLN 63 1HE2 GLN 63 7.415 0.980 -9.968 452 HE22 GLN 63 2HE2 GLN 63 9.000 0.317 -9.787 453 H VAL 64 H VAL 64 4.393 1.002 -6.240 454 HA VAL 64 HA VAL 64 3.160 -1.196 -4.829 455 HB VAL 64 HB VAL 64 3.139 1.679 -3.961 456 HG11 VAL 64 1HG1 VAL 64 3.161 -0.921 -2.454 457 HG12 VAL 64 2HG1 VAL 64 1.799 0.188 -2.632 458 HG13 VAL 64 3HG1 VAL 64 3.227 0.681 -1.720 459 HG21 VAL 64 1HG2 VAL 64 5.424 1.187 -4.600 460 HG22 VAL 64 2HG2 VAL 64 5.395 -0.290 -3.639 461 HG23 VAL 64 3HG2 VAL 64 5.290 1.282 -2.844 462 H HIS 65 H HIS 65 1.143 -1.767 -5.136 463 HA HIS 65 HA HIS 65 -0.824 0.214 -6.084 464 HB2 HIS 65 1HB HIS 65 -0.892 -2.803 -6.205 465 HB3 HIS 65 2HB HIS 65 -2.191 -1.754 -6.737 466 HD1 HIS 65 HD1 HIS 65 -2.112 -0.973 -9.103 467 HD2 HIS 65 HD2 HIS 65 1.479 -2.640 -7.844 468 HE1 HIS 65 HE1 HIS 65 -0.709 -1.193 -11.175 469 HE2 HIS 65 HE2 HIS 65 1.384 -2.382 -10.417 470 H ALA 66 H ALA 66 -2.272 0.889 -4.614 471 HA ALA 66 HA ALA 66 -2.560 -0.433 -2.087 472 HB1 ALA 66 1HB ALA 66 -4.247 1.255 -1.604 473 HB2 ALA 66 2HB ALA 66 -4.242 1.764 -3.294 474 HB3 ALA 66 3HB ALA 66 -2.806 2.000 -2.297 475 H LEU 67 H LEU 67 -3.735 -2.176 -1.738 476 HA LEU 67 HA LEU 67 -5.428 -3.203 -3.832 477 HB2 LEU 67 1HB LEU 67 -4.570 -4.289 -1.162 478 HB3 LEU 67 2HB LEU 67 -5.679 -5.141 -2.214 479 HG LEU 67 HG LEU 67 -2.807 -4.447 -2.822 480 HD11 LEU 67 1HD1 LEU 67 -2.473 -6.858 -2.772 481 HD12 LEU 67 2HD1 LEU 67 -4.171 -7.096 -2.359 482 HD13 LEU 67 3HD1 LEU 67 -3.095 -6.276 -1.227 483 HD21 LEU 67 1HD2 LEU 67 -3.163 -5.806 -4.864 484 HD22 LEU 67 2HD2 LEU 67 -4.082 -4.304 -4.858 485 HD23 LEU 67 3HD2 LEU 67 -4.889 -5.831 -4.508 486 H GLY 68 H GLY 68 -7.218 -1.845 -3.873 487 HA2 GLY 68 1HA GLY 68 -8.846 -1.353 -1.587 488 HA3 GLY 68 2HA GLY 68 -9.326 -1.143 -3.267 489 H GLY 69 H GLY 69 -10.226 -2.672 -0.592 490 HA2 GLY 69 1HA GLY 69 -10.529 -5.356 -1.649 491 HA3 GLY 69 2HA GLY 69 -11.004 -4.801 -0.053 492 H GLU 70 H GLU 70 -12.905 -3.318 -0.004 493 HA GLU 70 HA GLU 70 -14.899 -4.284 -1.942 494 HB2 GLU 70 1HB GLU 70 -15.261 -3.541 0.967 495 HB3 GLU 70 2HB GLU 70 -16.562 -4.008 -0.123 496 HG2 GLU 70 1HG GLU 70 -15.652 -6.207 -0.365 497 HG3 GLU 70 2HG GLU 70 -14.209 -5.759 0.541 498 H ASN 71 H ASN 71 -13.583 -2.214 -2.813 499 HA ASN 71 HA ASN 71 -14.842 0.272 -1.982 500 HB2 ASN 71 1HB ASN 71 -12.691 -0.331 -4.021 501 HB3 ASN 71 2HB ASN 71 -13.330 1.280 -3.728 502 HD21 ASN 71 1HD2 ASN 71 -13.599 0.809 -0.839 503 HD22 ASN 71 2HD2 ASN 71 -11.992 0.881 -0.209 504 H LEU 72 H LEU 72 -16.774 -1.317 -2.881 505 HA LEU 72 HA LEU 72 -17.239 -0.921 -5.699 506 HB2 LEU 72 1HB LEU 72 -18.038 -2.945 -4.552 507 HB3 LEU 72 2HB LEU 72 -19.069 -1.960 -3.533 508 HG LEU 72 HG LEU 72 -20.357 -1.268 -5.527 509 HD11 LEU 72 1HD1 LEU 72 -20.035 -2.427 -7.641 510 HD12 LEU 72 2HD1 LEU 72 -18.633 -3.268 -6.979 511 HD13 LEU 72 3HD1 LEU 72 -18.589 -1.518 -7.195 512 HD21 LEU 72 1HD2 LEU 72 -21.127 -3.144 -4.199 513 HD22 LEU 72 2HD2 LEU 72 -20.108 -4.245 -5.126 514 HD23 LEU 72 3HD2 LEU 72 -21.461 -3.428 -5.907 515 H TYR 73 H TYR 73 -17.053 1.393 -5.689 516 HA TYR 73 HA TYR 73 -19.109 2.922 -4.344 517 HB2 TYR 73 1HB TYR 73 -17.067 3.838 -6.379 518 HB3 TYR 73 2HB TYR 73 -18.046 4.874 -5.347 519 HD1 TYR 73 HD1 TYR 73 -17.801 4.239 -2.734 520 HD2 TYR 73 HD2 TYR 73 -14.884 3.512 -5.742 521 HE1 TYR 73 HE1 TYR 73 -16.052 4.182 -1.013 522 HE2 TYR 73 HE2 TYR 73 -13.126 3.450 -4.026 523 HH TYR 73 HH TYR 73 -12.712 4.216 -1.781 524 H PHE 74 H PHE 74 -18.873 1.144 -7.136 525 HA PHE 74 HA PHE 74 -20.529 2.684 -8.873 526 HB2 PHE 74 1HB PHE 74 -19.923 -0.285 -8.874 527 HB3 PHE 74 2HB PHE 74 -20.683 0.600 -10.188 528 HD1 PHE 74 HD1 PHE 74 -19.385 2.164 -11.548 529 HD2 PHE 74 HD2 PHE 74 -17.562 -0.187 -8.505 530 HE1 PHE 74 HE1 PHE 74 -17.172 2.626 -12.519 531 HE2 PHE 74 HE2 PHE 74 -15.346 0.273 -9.469 532 HZ PHE 74 HZ PHE 74 -15.151 1.682 -11.479 533 H GLN 75 H GLN 75 -22.328 3.266 -7.607 534 HA GLN 75 HA GLN 75 -24.091 1.063 -6.772 535 HB2 GLN 75 1HB GLN 75 -23.493 2.763 -5.061 536 HB3 GLN 75 2HB GLN 75 -24.247 3.998 -6.059 537 HG2 GLN 75 1HG GLN 75 -26.396 2.810 -5.855 538 HG3 GLN 75 2HG GLN 75 -25.622 1.642 -4.785 539 HE21 GLN 75 1HE2 GLN 75 -24.989 2.294 -2.723 540 HE22 GLN 75 2HE2 GLN 75 -25.620 3.723 -1.984 541 H GLY 76 H GLY 76 -23.854 3.865 -8.835 542 HA2 GLY 76 1HA GLY 76 -26.568 3.325 -9.855 543 HA3 GLY 76 2HA GLY 76 -25.738 4.872 -9.981 544 H HIS 77 H HIS 77 -26.924 3.281 -12.094 545 HA HIS 77 HA HIS 77 -24.777 2.097 -13.595 546 HB2 HIS 77 1HB HIS 77 -27.631 2.794 -14.305 547 HB3 HIS 77 2HB HIS 77 -26.512 2.068 -15.451 548 HD1 HIS 77 HD1 HIS 77 -28.871 1.239 -12.795 549 HD2 HIS 77 HD2 HIS 77 -25.631 -0.589 -14.643 550 HE1 HIS 77 HE1 HIS 77 -29.052 -1.201 -12.215 551 HE2 HIS 77 HE2 HIS 77 -26.969 -2.244 -13.170 552 H HIS 78 H HIS 78 -23.217 3.667 -13.855 553 HA HIS 78 HA HIS 78 -24.025 6.072 -15.350 554 HB2 HIS 78 1HB HIS 78 -21.692 5.628 -13.483 555 HB3 HIS 78 2HB HIS 78 -21.871 7.060 -14.492 556 HD1 HIS 78 HD1 HIS 78 -22.297 6.213 -11.160 557 HD2 HIS 78 HD2 HIS 78 -24.780 8.074 -13.927 558 HE1 HIS 78 HE1 HIS 78 -23.981 7.497 -9.805 559 HE2 HIS 78 HE2 HIS 78 -25.573 8.462 -11.499 560 H HIS 79 H HIS 79 -23.252 3.292 -16.281 561 HA HIS 79 HA HIS 79 -21.134 4.162 -18.139 562 HB2 HIS 79 1HB HIS 79 -20.611 2.143 -16.734 563 HB3 HIS 79 2HB HIS 79 -21.955 1.315 -17.510 564 HD1 HIS 79 HD1 HIS 79 -21.331 -0.035 -19.487 565 HD2 HIS 79 HD2 HIS 79 -18.597 3.011 -18.771 566 HE1 HIS 79 HE1 HIS 79 -19.507 -0.351 -21.186 567 HE2 HIS 79 HE2 HIS 79 -17.917 1.559 -20.801 568 H HIS 80 H HIS 80 -22.987 5.311 -19.131 569 HA HIS 80 HA HIS 80 -24.000 3.866 -21.364 570 HB2 HIS 80 1HB HIS 80 -25.602 3.160 -19.557 571 HB3 HIS 80 2HB HIS 80 -26.068 4.849 -19.383 572 HD1 HIS 80 HD1 HIS 80 -27.759 5.760 -21.029 573 HD2 HIS 80 HD2 HIS 80 -26.376 1.979 -22.053 574 HE1 HIS 80 HE1 HIS 80 -29.216 4.999 -22.929 575 HE2 HIS 80 HE2 HIS 80 -28.277 2.767 -23.618 576 H HIS 81 H HIS 81 -25.055 6.637 -19.382 577 HA HIS 81 HA HIS 81 -25.109 8.870 -19.749 578 HB2 HIS 81 1HB HIS 81 -22.775 8.668 -20.484 579 HB3 HIS 81 2HB HIS 81 -23.314 8.283 -22.114 580 HD1 HIS 81 HD1 HIS 81 -24.157 10.237 -23.577 581 HD2 HIS 81 HD2 HIS 81 -22.930 11.373 -19.775 582 HE1 HIS 81 HE1 HIS 81 -24.002 12.741 -23.639 583 HE2 HIS 81 HE2 HIS 81 -23.109 13.394 -21.378 584 H HIS 82 H HIS 82 -26.729 10.045 -20.505 585 HA HIS 82 HA HIS 82 -28.080 9.159 -22.948 586 HB2 HIS 82 1HB HIS 82 -29.472 9.453 -20.923 587 HB3 HIS 82 2HB HIS 82 -28.989 11.144 -20.846 588 HD1 HIS 82 HD1 HIS 82 -30.585 12.709 -21.899 589 HD2 HIS 82 HD2 HIS 82 -30.861 8.901 -23.537 590 HE1 HIS 82 HE1 HIS 82 -32.487 12.815 -23.538 591 HE2 HIS 82 HE2 HIS 82 -32.729 10.465 -24.405 Start of MODEL 10 1 H2 MET 1 2H MET 1 5.028 -7.874 -8.735 2 H MET 1 1H MET 1 4.166 -7.501 -7.335 3 H3 MET 1 3H MET 1 5.818 -7.867 -7.240 4 HA MET 1 HA MET 1 3.792 -9.774 -8.230 5 HB2 MET 1 1HB MET 1 6.088 -10.234 -8.910 6 HB3 MET 1 2HB MET 1 6.630 -10.108 -7.243 7 HG2 MET 1 1HG MET 1 5.189 -12.046 -6.691 8 HG3 MET 1 2HG MET 1 4.824 -12.211 -8.405 9 HE1 MET 1 1HE MET 1 6.061 -14.495 -6.481 10 HE2 MET 1 2HE MET 1 7.237 -15.222 -7.575 11 HE3 MET 1 3HE MET 1 5.640 -14.769 -8.170 12 H ALA 2 H ALA 2 5.684 -8.807 -5.357 13 HA ALA 2 HA ALA 2 4.301 -10.583 -3.609 14 HB1 ALA 2 1HB ALA 2 6.543 -9.830 -3.077 15 HB2 ALA 2 2HB ALA 2 5.421 -9.334 -1.808 16 HB3 ALA 2 3HB ALA 2 5.986 -8.158 -2.997 17 H GLN 3 H GLN 3 2.962 -9.954 -1.828 18 HA GLN 3 HA GLN 3 1.489 -7.443 -2.207 19 HB2 GLN 3 1HB GLN 3 0.232 -10.144 -1.709 20 HB3 GLN 3 2HB GLN 3 -0.624 -8.612 -1.676 21 HG2 GLN 3 1HG GLN 3 -0.113 -8.271 -4.031 22 HG3 GLN 3 2HG GLN 3 0.759 -9.802 -4.066 23 HE21 GLN 3 1HE2 GLN 3 -2.339 -8.277 -3.928 24 HE22 GLN 3 2HE2 GLN 3 -3.284 -9.688 -4.234 25 H GLY 4 H GLY 4 0.090 -7.027 -0.208 26 HA2 GLY 4 1HA GLY 4 0.466 -8.354 2.198 27 HA3 GLY 4 2HA GLY 4 1.750 -7.160 2.084 28 H THR 5 H THR 5 0.887 -6.163 3.914 29 HA THR 5 HA THR 5 -1.316 -4.325 3.266 30 HB THR 5 HB THR 5 -0.851 -5.551 5.994 31 HG1 THR 5 HG1 THR 5 -1.759 -6.964 4.243 32 HG21 THR 5 1HG2 THR 5 -3.119 -3.859 4.935 33 HG22 THR 5 2HG2 THR 5 -1.843 -3.302 6.019 34 HG23 THR 5 3HG2 THR 5 -2.992 -4.524 6.566 35 H VAL 6 H VAL 6 -0.608 -2.280 3.393 36 HA VAL 6 HA VAL 6 1.931 -1.638 4.445 37 HB VAL 6 HB VAL 6 1.344 -0.121 2.830 38 HG11 VAL 6 1HG1 VAL 6 -0.837 1.023 2.704 39 HG12 VAL 6 2HG1 VAL 6 -1.384 0.043 4.064 40 HG13 VAL 6 3HG1 VAL 6 -0.943 -0.730 2.541 41 HG21 VAL 6 1HG2 VAL 6 0.974 2.062 3.874 42 HG22 VAL 6 2HG2 VAL 6 2.162 1.103 4.762 43 HG23 VAL 6 3HG2 VAL 6 0.514 1.258 5.378 44 H LYS 7 H LYS 7 2.471 -1.686 6.452 45 HA LYS 7 HA LYS 7 0.558 -1.901 8.535 46 HB2 LYS 7 1HB LYS 7 2.518 -2.029 10.015 47 HB3 LYS 7 2HB LYS 7 2.656 -3.115 8.642 48 HG2 LYS 7 1HG LYS 7 4.227 -1.697 7.577 49 HG3 LYS 7 2HG LYS 7 3.934 -0.402 8.737 50 HD2 LYS 7 1HD LYS 7 6.009 -1.479 9.282 51 HD3 LYS 7 2HD LYS 7 4.823 -1.871 10.526 52 HE2 LYS 7 1HE LYS 7 4.424 -4.034 9.436 53 HE3 LYS 7 2HE LYS 7 5.641 -3.637 8.224 54 HZ1 LYS 7 1HZ LYS 7 7.244 -3.422 10.107 55 HZ2 LYS 7 2HZ LYS 7 6.675 -4.994 9.839 56 HZ3 LYS 7 3HZ LYS 7 6.059 -4.075 11.124 57 H TRP 8 H TRP 8 2.546 0.634 7.258 58 HA TRP 8 HA TRP 8 0.844 2.635 8.265 59 HB2 TRP 8 1HB TRP 8 2.322 3.815 9.775 60 HB3 TRP 8 2HB TRP 8 2.093 2.179 10.370 61 HD1 TRP 8 HD1 TRP 8 4.208 0.618 10.501 62 HE1 TRP 8 HE1 TRP 8 6.733 1.075 10.313 63 HE3 TRP 8 HE3 TRP 8 4.035 5.313 8.486 64 HZ2 TRP 8 HZ2 TRP 8 8.424 3.156 9.434 65 HZ3 TRP 8 HZ3 TRP 8 6.151 6.465 8.004 66 HH2 TRP 8 HH2 TRP 8 8.298 5.404 8.468 67 H PHE 9 H PHE 9 1.290 4.654 7.332 68 HA PHE 9 HA PHE 9 3.660 4.858 5.669 69 HB2 PHE 9 1HB PHE 9 1.879 3.776 4.270 70 HB3 PHE 9 2HB PHE 9 0.914 5.234 4.469 71 HD1 PHE 9 HD1 PHE 9 1.391 7.208 3.219 72 HD2 PHE 9 HD2 PHE 9 3.984 3.842 3.020 73 HE1 PHE 9 HE1 PHE 9 2.539 8.209 1.286 74 HE2 PHE 9 HE2 PHE 9 5.140 4.841 1.094 75 HZ PHE 9 HZ PHE 9 4.419 7.027 0.227 76 H ASN 10 H ASN 10 4.474 6.796 5.797 77 HA ASN 10 HA ASN 10 2.856 8.975 6.883 78 HB2 ASN 10 1HB ASN 10 5.118 8.432 7.840 79 HB3 ASN 10 2HB ASN 10 5.826 8.909 6.302 80 HD21 ASN 10 1HD2 ASN 10 6.127 9.996 9.013 81 HD22 ASN 10 2HD2 ASN 10 5.738 11.675 8.884 82 H ALA 11 H ALA 11 1.689 9.888 5.306 83 HA ALA 11 HA ALA 11 2.404 9.712 2.578 84 HB1 ALA 11 1HB ALA 11 0.377 10.949 2.139 85 HB2 ALA 11 2HB ALA 11 0.262 11.405 3.838 86 HB3 ALA 11 3HB ALA 11 0.085 9.716 3.365 87 H GLU 12 H GLU 12 2.608 12.341 4.930 88 HA GLU 12 HA GLU 12 3.141 14.339 2.980 89 HB2 GLU 12 1HB GLU 12 3.753 15.770 4.870 90 HB3 GLU 12 2HB GLU 12 2.225 14.947 5.149 91 HG2 GLU 12 1HG GLU 12 3.284 13.384 6.627 92 HG3 GLU 12 2HG GLU 12 4.868 14.058 6.260 93 H LYS 13 H LYS 13 5.128 12.153 4.844 94 HA LYS 13 HA LYS 13 7.573 13.443 3.966 95 HB2 LYS 13 1HB LYS 13 7.131 10.915 5.551 96 HB3 LYS 13 2HB LYS 13 8.701 11.618 5.199 97 HG2 LYS 13 1HG LYS 13 6.517 12.784 6.893 98 HG3 LYS 13 2HG LYS 13 8.094 12.204 7.419 99 HD2 LYS 13 1HD LYS 13 9.091 13.981 5.918 100 HD3 LYS 13 2HD LYS 13 7.461 14.638 5.779 101 HE2 LYS 13 1HE LYS 13 9.012 14.262 8.334 102 HE3 LYS 13 2HE LYS 13 8.745 15.790 7.504 103 HZ1 LYS 13 1HZ LYS 13 6.683 14.082 8.787 104 HZ2 LYS 13 2HZ LYS 13 6.332 15.465 7.874 105 HZ3 LYS 13 3HZ LYS 13 7.214 15.599 9.310 106 H GLY 14 H GLY 14 5.610 10.670 3.229 107 HA2 GLY 14 1HA GLY 14 5.411 9.798 1.065 108 HA3 GLY 14 2HA GLY 14 6.958 10.511 0.654 109 H PHE 15 H PHE 15 6.589 8.568 3.545 110 HA PHE 15 HA PHE 15 7.532 6.201 2.150 111 HB2 PHE 15 1HB PHE 15 9.515 5.885 3.438 112 HB3 PHE 15 2HB PHE 15 9.580 7.507 2.766 113 HD1 PHE 15 HD1 PHE 15 9.494 5.506 5.773 114 HD2 PHE 15 HD2 PHE 15 9.200 9.468 4.247 115 HE1 PHE 15 HE1 PHE 15 9.928 6.401 8.021 116 HE2 PHE 15 HE2 PHE 15 9.625 10.367 6.500 117 HZ PHE 15 HZ PHE 15 9.990 8.833 8.387 118 H GLY 16 H GLY 16 7.564 4.283 3.507 119 HA2 GLY 16 1HA GLY 16 6.410 4.265 6.101 120 HA3 GLY 16 2HA GLY 16 5.192 3.904 4.884 121 H PHE 17 H PHE 17 5.081 1.813 6.003 122 HA PHE 17 HA PHE 17 7.027 -0.037 4.828 123 HB2 PHE 17 1HB PHE 17 6.388 0.248 7.730 124 HB3 PHE 17 2HB PHE 17 6.709 -1.358 7.087 125 HD1 PHE 17 HD1 PHE 17 8.127 1.953 7.736 126 HD2 PHE 17 HD2 PHE 17 8.896 -2.011 6.412 127 HE1 PHE 17 HE1 PHE 17 10.540 2.362 7.939 128 HE2 PHE 17 HE2 PHE 17 11.314 -1.611 6.606 129 HZ PHE 17 HZ PHE 17 12.139 0.578 7.375 130 H ILE 18 H ILE 18 6.275 -2.026 4.337 131 HA ILE 18 HA ILE 18 3.406 -2.507 4.766 132 HB ILE 18 HB ILE 18 5.141 -3.325 2.437 133 HG12 ILE 18 1HG1 ILE 18 2.621 -1.684 2.399 134 HG13 ILE 18 2HG1 ILE 18 4.221 -0.966 2.542 135 HG21 ILE 18 1HG2 ILE 18 3.126 -4.361 1.493 136 HG22 ILE 18 2HG2 ILE 18 2.275 -4.048 3.007 137 HG23 ILE 18 3HG2 ILE 18 3.656 -5.147 2.981 138 HD11 ILE 18 1HD1 ILE 18 4.852 -1.918 0.399 139 HD12 ILE 18 2HD1 ILE 18 3.400 -0.925 0.246 140 HD13 ILE 18 3HD1 ILE 18 3.269 -2.687 0.265 141 H ALA 19 H ALA 19 2.787 -4.471 5.510 142 HA ALA 19 HA ALA 19 4.910 -6.374 6.214 143 HB1 ALA 19 1HB ALA 19 3.241 -7.413 7.668 144 HB2 ALA 19 2HB ALA 19 2.019 -6.279 7.090 145 HB3 ALA 19 3HB ALA 19 3.397 -5.692 8.025 146 HA PRO 20 HA PRO 20 3.538 -8.063 2.190 147 HB2 PRO 20 1HB PRO 20 5.775 -9.870 2.952 148 HB3 PRO 20 2HB PRO 20 5.441 -9.082 1.410 149 HG2 PRO 20 1HG PRO 20 7.350 -8.157 3.008 150 HG3 PRO 20 2HG PRO 20 6.299 -7.048 2.113 151 HD2 PRO 20 1HD PRO 20 6.262 -7.774 4.996 152 HD3 PRO 20 2HD PRO 20 5.899 -6.225 4.219 153 H ASP 21 H ASP 21 2.223 -9.667 1.728 154 HA ASP 21 HA ASP 21 1.325 -11.527 3.715 155 HB2 ASP 21 1HB ASP 21 -0.288 -10.700 2.152 156 HB3 ASP 21 2HB ASP 21 0.723 -11.134 0.780 157 H ASP 22 H ASP 22 3.835 -11.389 1.514 158 HA ASP 22 HA ASP 22 4.120 -14.183 0.951 159 HB2 ASP 22 1HB ASP 22 5.902 -11.794 0.489 160 HB3 ASP 22 2HB ASP 22 6.353 -13.431 0.024 161 H GLY 23 H GLY 23 4.111 -13.217 3.789 162 HA2 GLY 23 1HA GLY 23 5.086 -14.475 5.569 163 HA3 GLY 23 2HA GLY 23 6.541 -14.648 4.603 164 H SER 24 H SER 24 5.079 -11.582 4.667 165 HA SER 24 HA SER 24 5.814 -9.562 5.374 166 HB2 SER 24 1HB SER 24 5.810 -9.492 7.961 167 HB3 SER 24 2HB SER 24 4.331 -9.924 7.107 168 HG SER 24 HG SER 24 6.194 -11.730 8.270 169 H ALA 25 H ALA 25 7.932 -9.681 4.361 170 HA ALA 25 HA ALA 25 10.187 -10.055 6.137 171 HB1 ALA 25 1HB ALA 25 11.554 -9.407 4.228 172 HB2 ALA 25 2HB ALA 25 10.103 -8.961 3.329 173 HB3 ALA 25 3HB ALA 25 10.386 -10.645 3.770 174 H ASP 26 H ASP 26 7.951 -7.782 5.976 175 HA ASP 26 HA ASP 26 7.695 -5.588 6.446 176 HB2 ASP 26 1HB ASP 26 10.391 -5.921 7.768 177 HB3 ASP 26 2HB ASP 26 9.314 -4.545 7.987 178 H VAL 27 H VAL 27 7.701 -4.790 4.406 179 HA VAL 27 HA VAL 27 10.287 -4.151 3.201 180 HB VAL 27 HB VAL 27 8.713 -5.570 1.928 181 HG11 VAL 27 1HG1 VAL 27 6.999 -3.106 1.884 182 HG12 VAL 27 2HG1 VAL 27 6.613 -4.654 2.644 183 HG13 VAL 27 3HG1 VAL 27 6.746 -4.540 0.887 184 HG21 VAL 27 1HG2 VAL 27 8.895 -4.372 -0.186 185 HG22 VAL 27 2HG2 VAL 27 10.381 -4.270 0.760 186 HG23 VAL 27 3HG2 VAL 27 9.280 -2.892 0.695 187 H PHE 28 H PHE 28 10.883 -2.128 2.694 188 HA PHE 28 HA PHE 28 9.449 0.049 3.950 189 HB2 PHE 28 1HB PHE 28 11.854 -0.056 4.202 190 HB3 PHE 28 2HB PHE 28 12.074 -0.090 2.459 191 HD1 PHE 28 HD1 PHE 28 12.210 1.895 1.210 192 HD2 PHE 28 HD2 PHE 28 10.967 2.027 5.278 193 HE1 PHE 28 HE1 PHE 28 12.403 4.348 1.185 194 HE2 PHE 28 HE2 PHE 28 11.156 4.478 5.260 195 HZ PHE 28 HZ PHE 28 11.872 5.643 3.213 196 H VAL 29 H VAL 29 8.336 1.647 2.932 197 HA VAL 29 HA VAL 29 8.062 1.362 0.010 198 HB VAL 29 HB VAL 29 6.081 2.843 1.684 199 HG11 VAL 29 1HG1 VAL 29 4.540 2.150 -0.072 200 HG12 VAL 29 2HG1 VAL 29 5.831 1.233 -0.846 201 HG13 VAL 29 3HG1 VAL 29 5.939 2.991 -0.743 202 HG21 VAL 29 1HG2 VAL 29 6.341 0.714 2.818 203 HG22 VAL 29 2HG2 VAL 29 6.089 -0.139 1.293 204 HG23 VAL 29 3HG2 VAL 29 4.782 0.813 2.001 205 H HIS 30 H HIS 30 8.603 3.021 -1.257 206 HA HIS 30 HA HIS 30 8.776 5.700 -0.047 207 HB2 HIS 30 1HB HIS 30 10.964 4.646 -0.866 208 HB3 HIS 30 2HB HIS 30 10.307 4.793 -2.493 209 HD1 HIS 30 HD1 HIS 30 11.632 6.638 -3.510 210 HD2 HIS 30 HD2 HIS 30 10.347 7.564 0.333 211 HE1 HIS 30 HE1 HIS 30 12.321 9.025 -3.123 212 HE2 HIS 30 HE2 HIS 30 11.708 9.495 -0.724 213 H TYR 31 H TYR 31 7.544 7.244 -0.969 214 HA TYR 31 HA TYR 31 5.252 6.420 -2.264 215 HB2 TYR 31 1HB TYR 31 4.561 8.672 -2.281 216 HB3 TYR 31 2HB TYR 31 5.611 8.509 -0.881 217 HD1 TYR 31 HD1 TYR 31 7.997 9.365 -1.056 218 HD2 TYR 31 HD2 TYR 31 5.018 10.241 -3.964 219 HE1 TYR 31 HE1 TYR 31 9.333 11.271 -1.844 220 HE2 TYR 31 HE2 TYR 31 6.347 12.145 -4.762 221 HH TYR 31 HH TYR 31 8.086 13.663 -3.902 222 H SER 32 H SER 32 8.242 7.319 -3.739 223 HA SER 32 HA SER 32 7.168 8.174 -6.227 224 HB2 SER 32 1HB SER 32 9.462 8.743 -5.373 225 HB3 SER 32 2HB SER 32 9.941 7.081 -5.718 226 HG SER 32 HG SER 32 8.890 8.906 -7.627 227 H GLU 33 H GLU 33 7.537 5.093 -4.817 228 HA GLU 33 HA GLU 33 7.548 3.738 -7.405 229 HB2 GLU 33 1HB GLU 33 7.822 2.781 -4.571 230 HB3 GLU 33 2HB GLU 33 7.539 1.666 -5.900 231 HG2 GLU 33 1HG GLU 33 9.859 3.567 -5.687 232 HG3 GLU 33 2HG GLU 33 9.908 1.844 -5.317 233 H ILE 34 H ILE 34 5.339 4.921 -5.162 234 HA ILE 34 HA ILE 34 3.386 2.858 -5.330 235 HB ILE 34 HB ILE 34 3.076 5.732 -4.477 236 HG12 ILE 34 1HG1 ILE 34 3.388 3.214 -2.833 237 HG13 ILE 34 2HG1 ILE 34 4.652 4.409 -3.102 238 HG21 ILE 34 1HG2 ILE 34 0.943 4.771 -5.154 239 HG22 ILE 34 2HG2 ILE 34 1.002 4.997 -3.404 240 HG23 ILE 34 3HG2 ILE 34 1.218 3.386 -4.096 241 HD11 ILE 34 1HD1 ILE 34 2.032 4.927 -1.726 242 HD12 ILE 34 2HD1 ILE 34 3.341 6.084 -1.948 243 HD13 ILE 34 3HD1 ILE 34 3.580 4.666 -0.924 244 H GLN 35 H GLN 35 1.906 2.491 -6.758 245 HA GLN 35 HA GLN 35 1.534 4.370 -8.982 246 HB2 GLN 35 1HB GLN 35 0.685 1.474 -8.782 247 HB3 GLN 35 2HB GLN 35 0.735 2.465 -10.232 248 HG2 GLN 35 1HG GLN 35 3.128 1.630 -8.618 249 HG3 GLN 35 2HG GLN 35 2.589 0.868 -10.111 250 HE21 GLN 35 1HE2 GLN 35 5.093 2.251 -9.417 251 HE22 GLN 35 2HE2 GLN 35 5.280 3.486 -10.606 252 H GLY 36 H GLY 36 0.086 5.759 -7.880 253 HA2 GLY 36 1HA GLY 36 -2.266 4.529 -6.643 254 HA3 GLY 36 2HA GLY 36 -1.726 6.184 -6.410 255 H ASN 37 H ASN 37 -4.196 6.241 -6.751 256 HA ASN 37 HA ASN 37 -4.892 6.393 -9.593 257 HB2 ASN 37 1HB ASN 37 -6.690 6.809 -7.191 258 HB3 ASN 37 2HB ASN 37 -7.194 6.604 -8.861 259 HD21 ASN 37 1HD2 ASN 37 -6.153 5.041 -5.978 260 HD22 ASN 37 2HD2 ASN 37 -6.416 3.420 -6.511 261 H GLY 38 H GLY 38 -3.040 8.251 -8.807 262 HA2 GLY 38 1HA GLY 38 -3.165 10.604 -9.549 263 HA3 GLY 38 2HA GLY 38 -4.625 10.738 -8.575 264 H PHE 39 H PHE 39 -3.431 9.055 -6.458 265 HA PHE 39 HA PHE 39 -1.446 10.948 -5.393 266 HB2 PHE 39 1HB PHE 39 -3.763 9.608 -4.022 267 HB3 PHE 39 2HB PHE 39 -2.359 10.149 -3.108 268 HD1 PHE 39 HD1 PHE 39 -5.238 11.220 -5.112 269 HD2 PHE 39 HD2 PHE 39 -1.941 12.470 -2.731 270 HE1 PHE 39 HE1 PHE 39 -6.191 13.484 -4.986 271 HE2 PHE 39 HE2 PHE 39 -2.885 14.737 -2.603 272 HZ PHE 39 HZ PHE 39 -5.016 15.246 -3.733 273 H ARG 40 H ARG 40 0.463 10.051 -5.092 274 HA ARG 40 HA ARG 40 0.738 7.170 -4.995 275 HB2 ARG 40 1HB ARG 40 2.810 9.364 -4.881 276 HB3 ARG 40 2HB ARG 40 3.168 7.647 -4.955 277 HG2 ARG 40 1HG ARG 40 1.925 7.576 -7.129 278 HG3 ARG 40 2HG ARG 40 1.848 9.337 -7.059 279 HD2 ARG 40 1HD ARG 40 4.303 9.425 -6.976 280 HD3 ARG 40 2HD ARG 40 4.358 7.666 -7.091 281 HE ARG 40 HE ARG 40 3.220 9.375 -9.211 282 HH11 ARG 40 1HH1 ARG 40 5.194 6.672 -8.196 283 HH12 ARG 40 2HH1 ARG 40 5.599 6.195 -9.810 284 HH21 ARG 40 1HH2 ARG 40 3.738 8.736 -11.337 285 HH22 ARG 40 2HH2 ARG 40 4.773 7.370 -11.597 286 H THR 41 H THR 41 -0.677 7.546 -2.949 287 HA THR 41 HA THR 41 1.120 7.550 -0.632 288 HB THR 41 HB THR 41 -0.724 8.695 0.661 289 HG1 THR 41 HG1 THR 41 -2.245 8.311 -1.230 290 HG21 THR 41 1HG2 THR 41 1.291 9.894 0.006 291 HG22 THR 41 2HG2 THR 41 -0.115 10.952 -0.115 292 HG23 THR 41 3HG2 THR 41 0.588 10.248 -1.572 293 H LEU 42 H LEU 42 0.621 6.102 0.949 294 HA LEU 42 HA LEU 42 -1.592 4.258 0.378 295 HB2 LEU 42 1HB LEU 42 1.025 3.842 1.816 296 HB3 LEU 42 2HB LEU 42 -0.273 2.666 1.818 297 HG LEU 42 HG LEU 42 1.230 3.618 -0.611 298 HD11 LEU 42 1HD1 LEU 42 2.563 2.204 0.870 299 HD12 LEU 42 2HD1 LEU 42 2.183 1.395 -0.650 300 HD13 LEU 42 3HD1 LEU 42 1.301 0.972 0.818 301 HD21 LEU 42 1HD2 LEU 42 -1.031 3.068 -1.216 302 HD22 LEU 42 2HD2 LEU 42 -0.949 1.562 -0.301 303 HD23 LEU 42 3HD2 LEU 42 0.036 1.771 -1.749 304 H GLU 43 H GLU 43 -2.728 3.370 2.150 305 HA GLU 43 HA GLU 43 -2.950 5.227 4.419 306 HB2 GLU 43 1HB GLU 43 -4.882 3.148 3.375 307 HB3 GLU 43 2HB GLU 43 -5.181 4.213 4.737 308 HG2 GLU 43 1HG GLU 43 -4.723 5.115 1.906 309 HG3 GLU 43 2HG GLU 43 -6.300 4.934 2.670 310 H GLU 44 H GLU 44 -3.032 4.365 6.552 311 HA GLU 44 HA GLU 44 -1.391 2.073 6.925 312 HB2 GLU 44 1HB GLU 44 -1.412 3.995 8.488 313 HB3 GLU 44 2HB GLU 44 -3.046 3.561 8.964 314 HG2 GLU 44 1HG GLU 44 -2.261 1.435 9.807 315 HG3 GLU 44 2HG GLU 44 -0.626 1.814 9.289 316 H ASN 45 H ASN 45 -1.904 0.039 7.320 317 HA ASN 45 HA ASN 45 -3.073 -1.872 7.611 318 HB2 ASN 45 1HB ASN 45 -5.332 -0.072 8.496 319 HB3 ASN 45 2HB ASN 45 -5.361 -1.828 8.583 320 HD21 ASN 45 1HD2 ASN 45 -4.294 1.074 10.023 321 HD22 ASN 45 2HD2 ASN 45 -3.518 0.374 11.398 322 H GLN 46 H GLN 46 -2.985 -0.292 5.182 323 HA GLN 46 HA GLN 46 -5.445 -1.062 3.801 324 HB2 GLN 46 1HB GLN 46 -4.604 1.193 3.432 325 HB3 GLN 46 2HB GLN 46 -3.047 0.558 2.941 326 HG2 GLN 46 1HG GLN 46 -4.181 -0.551 1.026 327 HG3 GLN 46 2HG GLN 46 -5.655 0.301 1.483 328 HE21 GLN 46 1HE2 GLN 46 -5.716 1.439 -0.446 329 HE22 GLN 46 2HE2 GLN 46 -4.616 2.727 -0.784 330 H LYS 47 H LYS 47 -5.485 -2.648 2.254 331 HA LYS 47 HA LYS 47 -3.285 -4.465 2.108 332 HB2 LYS 47 1HB LYS 47 -5.858 -4.282 0.547 333 HB3 LYS 47 2HB LYS 47 -4.667 -5.553 0.305 334 HG2 LYS 47 1HG LYS 47 -6.113 -4.977 2.877 335 HG3 LYS 47 2HG LYS 47 -6.505 -6.270 1.748 336 HD2 LYS 47 1HD LYS 47 -3.849 -5.970 3.148 337 HD3 LYS 47 2HD LYS 47 -5.159 -7.006 3.713 338 HE2 LYS 47 1HE LYS 47 -3.786 -7.241 1.035 339 HE3 LYS 47 2HE LYS 47 -3.443 -8.241 2.442 340 HZ1 LYS 47 1HZ LYS 47 -6.031 -8.087 0.996 341 HZ2 LYS 47 2HZ LYS 47 -5.751 -9.002 2.390 342 HZ3 LYS 47 3HZ LYS 47 -4.938 -9.376 0.958 343 H VAL 48 H VAL 48 -1.947 -4.868 0.327 344 HA VAL 48 HA VAL 48 -1.906 -2.891 -1.784 345 HB VAL 48 HB VAL 48 -0.912 -1.771 0.193 346 HG11 VAL 48 1HG1 VAL 48 0.062 -3.717 1.257 347 HG12 VAL 48 2HG1 VAL 48 1.285 -2.475 0.982 348 HG13 VAL 48 3HG1 VAL 48 1.208 -3.887 -0.074 349 HG21 VAL 48 1HG2 VAL 48 -0.291 -1.072 -2.042 350 HG22 VAL 48 2HG2 VAL 48 0.988 -2.286 -2.082 351 HG23 VAL 48 3HG2 VAL 48 1.084 -0.941 -0.944 352 H GLU 49 H GLU 49 -0.474 -3.338 -3.411 353 HA GLU 49 HA GLU 49 0.886 -5.944 -3.349 354 HB2 GLU 49 1HB GLU 49 -0.945 -6.087 -4.868 355 HB3 GLU 49 2HB GLU 49 -0.605 -4.502 -5.532 356 HG2 GLU 49 1HG GLU 49 1.520 -5.419 -6.439 357 HG3 GLU 49 2HG GLU 49 0.989 -7.015 -5.907 358 H PHE 50 H PHE 50 2.980 -5.977 -4.384 359 HA PHE 50 HA PHE 50 4.116 -3.546 -5.387 360 HB2 PHE 50 1HB PHE 50 5.802 -3.338 -3.521 361 HB3 PHE 50 2HB PHE 50 4.160 -2.871 -3.099 362 HD1 PHE 50 HD1 PHE 50 6.895 -5.128 -2.406 363 HD2 PHE 50 HD2 PHE 50 2.755 -4.391 -1.744 364 HE1 PHE 50 HE1 PHE 50 6.914 -6.701 -0.519 365 HE2 PHE 50 HE2 PHE 50 2.771 -5.964 0.138 366 HZ PHE 50 HZ PHE 50 4.850 -7.121 0.755 367 H GLU 51 H GLU 51 6.568 -3.765 -5.495 368 HA GLU 51 HA GLU 51 7.326 -6.573 -5.964 369 HB2 GLU 51 1HB GLU 51 7.059 -5.108 -8.029 370 HB3 GLU 51 2HB GLU 51 8.421 -4.167 -7.431 371 HG2 GLU 51 1HG GLU 51 9.295 -5.674 -9.009 372 HG3 GLU 51 2HG GLU 51 9.744 -6.307 -7.425 373 H ILE 52 H ILE 52 8.759 -7.165 -4.450 374 HA ILE 52 HA ILE 52 10.084 -5.232 -2.835 375 HB ILE 52 HB ILE 52 10.501 -8.216 -2.989 376 HG12 ILE 52 1HG1 ILE 52 8.950 -6.509 -1.036 377 HG13 ILE 52 2HG1 ILE 52 8.242 -7.514 -2.293 378 HG21 ILE 52 1HG2 ILE 52 11.622 -7.984 -0.822 379 HG22 ILE 52 2HG2 ILE 52 11.455 -6.231 -0.927 380 HG23 ILE 52 3HG2 ILE 52 12.469 -7.089 -2.085 381 HD11 ILE 52 1HD1 ILE 52 8.093 -8.586 -0.131 382 HD12 ILE 52 2HD1 ILE 52 9.843 -8.483 0.060 383 HD13 ILE 52 3HD1 ILE 52 9.151 -9.500 -1.204 384 H GLY 53 H GLY 53 11.845 -4.184 -3.261 385 HA2 GLY 53 1HA GLY 53 13.892 -5.450 -4.974 386 HA3 GLY 53 2HA GLY 53 13.592 -3.716 -4.939 387 H GLU 54 H GLU 54 15.974 -3.789 -4.502 388 HA GLU 54 HA GLU 54 16.521 -4.301 -1.659 389 HB2 GLU 54 1HB GLU 54 17.865 -5.619 -3.269 390 HB3 GLU 54 2HB GLU 54 18.465 -4.122 -3.967 391 HG2 GLU 54 1HG GLU 54 20.149 -4.934 -2.527 392 HG3 GLU 54 2HG GLU 54 19.405 -3.558 -1.717 393 H GLY 55 H GLY 55 16.354 -2.481 -0.537 394 HA2 GLY 55 1HA GLY 55 17.015 0.073 -1.796 395 HA3 GLY 55 2HA GLY 55 16.195 -0.150 -0.257 396 H ALA 56 H ALA 56 17.707 1.494 0.505 397 HA ALA 56 HA ALA 56 20.499 0.794 0.661 398 HB1 ALA 56 1HB ALA 56 19.776 3.124 0.408 399 HB2 ALA 56 2HB ALA 56 20.763 2.889 1.849 400 HB3 ALA 56 3HB ALA 56 19.013 3.048 1.995 401 H LYS 57 H LYS 57 17.705 0.264 2.578 402 HA LYS 57 HA LYS 57 19.384 -0.405 4.904 403 HB2 LYS 57 1HB LYS 57 16.543 0.614 4.854 404 HB3 LYS 57 2HB LYS 57 17.407 0.116 6.301 405 HG2 LYS 57 1HG LYS 57 18.977 1.902 6.061 406 HG3 LYS 57 2HG LYS 57 18.314 2.330 4.483 407 HD2 LYS 57 1HD LYS 57 16.216 2.974 5.501 408 HD3 LYS 57 2HD LYS 57 16.794 2.448 7.083 409 HE2 LYS 57 1HE LYS 57 18.028 4.648 5.430 410 HE3 LYS 57 2HE LYS 57 16.913 4.900 6.771 411 HZ1 LYS 57 1HZ LYS 57 18.522 3.779 8.223 412 HZ2 LYS 57 2HZ LYS 57 19.160 5.175 7.518 413 HZ3 LYS 57 3HZ LYS 57 19.604 3.655 6.929 414 H GLY 58 H GLY 58 17.217 -1.599 2.588 415 HA2 GLY 58 1HA GLY 58 17.417 -4.249 3.165 416 HA3 GLY 58 2HA GLY 58 16.084 -3.705 4.175 417 HA PRO 59 HA PRO 59 14.231 -4.881 0.108 418 HB2 PRO 59 1HB PRO 59 11.854 -5.644 1.236 419 HB3 PRO 59 2HB PRO 59 13.218 -6.732 0.985 420 HG2 PRO 59 1HG PRO 59 12.375 -5.290 3.462 421 HG3 PRO 59 2HG PRO 59 12.955 -6.955 3.279 422 HD2 PRO 59 1HD PRO 59 14.551 -4.989 4.179 423 HD3 PRO 59 2HD PRO 59 15.170 -6.301 3.154 424 H GLN 60 H GLN 60 13.081 -3.516 -1.101 425 HA GLN 60 HA GLN 60 11.472 -1.474 0.279 426 HB2 GLN 60 1HB GLN 60 12.135 0.143 -1.444 427 HB3 GLN 60 2HB GLN 60 13.523 -0.450 -0.542 428 HG2 GLN 60 1HG GLN 60 14.115 -1.931 -2.359 429 HG3 GLN 60 2HG GLN 60 12.679 -1.442 -3.253 430 HE21 GLN 60 1HE2 GLN 60 12.941 1.349 -2.451 431 HE22 GLN 60 2HE2 GLN 60 14.247 1.989 -3.382 432 H ALA 61 H ALA 61 9.547 -0.936 -0.601 433 HA ALA 61 HA ALA 61 8.421 -2.844 -2.451 434 HB1 ALA 61 1HB ALA 61 6.305 -1.713 -1.988 435 HB2 ALA 61 2HB ALA 61 7.166 -0.466 -1.085 436 HB3 ALA 61 3HB ALA 61 7.147 -2.128 -0.494 437 H GLN 62 H GLN 62 8.698 -2.602 -4.527 438 HA GLN 62 HA GLN 62 8.783 0.106 -5.673 439 HB2 GLN 62 1HB GLN 62 9.855 -2.513 -6.732 440 HB3 GLN 62 2HB GLN 62 9.945 -0.975 -7.580 441 HG2 GLN 62 1HG GLN 62 11.375 -0.057 -5.900 442 HG3 GLN 62 2HG GLN 62 11.162 -1.475 -4.878 443 HE21 GLN 62 1HE2 GLN 62 11.369 -3.375 -7.028 444 HE22 GLN 62 2HE2 GLN 62 13.027 -3.410 -7.506 445 H GLN 63 H GLN 63 7.550 0.544 -7.535 446 HA GLN 63 HA GLN 63 5.519 0.605 -8.562 447 HB2 GLN 63 1HB GLN 63 6.300 -2.269 -9.033 448 HB3 GLN 63 2HB GLN 63 4.927 -1.502 -9.813 449 HG2 GLN 63 1HG GLN 63 6.446 -1.156 -11.438 450 HG3 GLN 63 2HG GLN 63 6.805 0.268 -10.463 451 HE21 GLN 63 1HE2 GLN 63 8.741 0.362 -9.312 452 HE22 GLN 63 2HE2 GLN 63 10.017 -0.775 -9.577 453 H VAL 64 H VAL 64 4.726 0.893 -6.313 454 HA VAL 64 HA VAL 64 3.460 -1.399 -5.063 455 HB VAL 64 HB VAL 64 3.409 1.445 -4.085 456 HG11 VAL 64 1HG1 VAL 64 3.189 -1.215 -2.708 457 HG12 VAL 64 2HG1 VAL 64 1.926 0.000 -2.903 458 HG13 VAL 64 3HG1 VAL 64 3.320 0.332 -1.875 459 HG21 VAL 64 1HG2 VAL 64 5.574 -0.601 -3.649 460 HG22 VAL 64 2HG2 VAL 64 5.446 0.946 -2.809 461 HG23 VAL 64 3HG2 VAL 64 5.724 0.907 -4.550 462 H HIS 65 H HIS 65 1.437 -1.925 -5.462 463 HA HIS 65 HA HIS 65 -0.392 0.118 -6.538 464 HB2 HIS 65 1HB HIS 65 -0.565 -2.896 -6.738 465 HB3 HIS 65 2HB HIS 65 -1.713 -1.761 -7.426 466 HD1 HIS 65 HD1 HIS 65 -1.101 -0.660 -9.642 467 HD2 HIS 65 HD2 HIS 65 1.905 -3.071 -8.094 468 HE1 HIS 65 HE1 HIS 65 0.576 -0.915 -11.494 469 HE2 HIS 65 HE2 HIS 65 2.277 -2.548 -10.600 470 H ALA 66 H ALA 66 -1.994 0.765 -5.259 471 HA ALA 66 HA ALA 66 -2.274 -0.423 -2.654 472 HB1 ALA 66 1HB ALA 66 -2.324 2.001 -2.932 473 HB2 ALA 66 2HB ALA 66 -3.821 1.406 -2.213 474 HB3 ALA 66 3HB ALA 66 -3.780 1.861 -3.917 475 H LEU 67 H LEU 67 -3.636 -1.949 -2.117 476 HA LEU 67 HA LEU 67 -5.694 -2.760 -4.029 477 HB2 LEU 67 1HB LEU 67 -4.601 -4.166 -1.593 478 HB3 LEU 67 2HB LEU 67 -5.768 -4.841 -2.709 479 HG LEU 67 HG LEU 67 -2.901 -4.138 -3.342 480 HD11 LEU 67 1HD1 LEU 67 -4.266 -6.818 -3.150 481 HD12 LEU 67 2HD1 LEU 67 -3.203 -6.129 -1.925 482 HD13 LEU 67 3HD1 LEU 67 -2.568 -6.521 -3.521 483 HD21 LEU 67 1HD2 LEU 67 -4.318 -3.771 -5.282 484 HD22 LEU 67 2HD2 LEU 67 -5.040 -5.367 -5.080 485 HD23 LEU 67 3HD2 LEU 67 -3.334 -5.218 -5.505 486 H GLY 68 H GLY 68 -7.187 -1.095 -3.531 487 HA2 GLY 68 1HA GLY 68 -9.234 -0.622 -2.477 488 HA3 GLY 68 2HA GLY 68 -8.738 -1.613 -1.114 489 H GLY 69 H GLY 69 -9.075 -0.169 0.516 490 HA2 GLY 69 1HA GLY 69 -7.109 1.922 0.797 491 HA3 GLY 69 2HA GLY 69 -8.752 2.517 0.615 492 H GLU 70 H GLU 70 -9.965 2.685 2.368 493 HA GLU 70 HA GLU 70 -8.832 1.963 4.917 494 HB2 GLU 70 1HB GLU 70 -11.506 3.219 4.276 495 HB3 GLU 70 2HB GLU 70 -10.764 3.122 5.866 496 HG2 GLU 70 1HG GLU 70 -8.943 4.554 5.113 497 HG3 GLU 70 2HG GLU 70 -9.672 4.641 3.509 498 H ASN 71 H ASN 71 -9.438 0.350 6.232 499 HA ASN 71 HA ASN 71 -11.798 -1.240 5.515 500 HB2 ASN 71 1HB ASN 71 -9.581 -2.257 4.706 501 HB3 ASN 71 2HB ASN 71 -9.207 -2.512 6.406 502 HD21 ASN 71 1HD2 ASN 71 -10.108 -4.207 7.458 503 HD22 ASN 71 2HD2 ASN 71 -11.168 -5.353 6.714 504 H LEU 72 H LEU 72 -12.032 0.612 7.313 505 HA LEU 72 HA LEU 72 -11.547 -0.518 9.973 506 HB2 LEU 72 1HB LEU 72 -10.928 1.867 9.370 507 HB3 LEU 72 2HB LEU 72 -12.639 2.205 9.246 508 HG LEU 72 HG LEU 72 -11.486 1.131 11.804 509 HD11 LEU 72 1HD1 LEU 72 -11.594 4.022 10.956 510 HD12 LEU 72 2HD1 LEU 72 -10.131 3.068 11.201 511 HD13 LEU 72 3HD1 LEU 72 -11.186 3.432 12.566 512 HD21 LEU 72 1HD2 LEU 72 -13.369 2.320 12.790 513 HD22 LEU 72 2HD2 LEU 72 -13.929 1.197 11.552 514 HD23 LEU 72 3HD2 LEU 72 -13.840 2.923 11.202 515 H TYR 73 H TYR 73 -14.059 0.373 7.720 516 HA TYR 73 HA TYR 73 -16.112 -0.500 9.631 517 HB2 TYR 73 1HB TYR 73 -16.321 1.182 7.128 518 HB3 TYR 73 2HB TYR 73 -17.716 0.603 8.034 519 HD1 TYR 73 HD1 TYR 73 -17.995 1.347 10.429 520 HD2 TYR 73 HD2 TYR 73 -15.157 3.126 7.805 521 HE1 TYR 73 HE1 TYR 73 -17.856 3.301 11.913 522 HE2 TYR 73 HE2 TYR 73 -15.010 5.085 9.284 523 HH TYR 73 HH TYR 73 -16.210 5.097 12.432 524 H PHE 74 H PHE 74 -14.467 -2.396 8.350 525 HA PHE 74 HA PHE 74 -15.617 -3.516 6.032 526 HB2 PHE 74 1HB PHE 74 -13.370 -4.111 6.647 527 HB3 PHE 74 2HB PHE 74 -13.904 -4.725 8.205 528 HD1 PHE 74 HD1 PHE 74 -14.367 -6.969 8.474 529 HD2 PHE 74 HD2 PHE 74 -14.270 -5.321 4.553 530 HE1 PHE 74 HE1 PHE 74 -14.590 -9.226 7.525 531 HE2 PHE 74 HE2 PHE 74 -14.493 -7.575 3.601 532 HZ PHE 74 HZ PHE 74 -14.654 -9.532 5.083 533 H GLN 75 H GLN 75 -16.350 -3.847 9.433 534 HA GLN 75 HA GLN 75 -18.246 -5.998 8.875 535 HB2 GLN 75 1HB GLN 75 -17.528 -4.756 11.537 536 HB3 GLN 75 2HB GLN 75 -18.440 -6.237 11.284 537 HG2 GLN 75 1HG GLN 75 -15.633 -5.956 10.282 538 HG3 GLN 75 2HG GLN 75 -15.966 -6.401 11.951 539 HE21 GLN 75 1HE2 GLN 75 -18.116 -7.461 9.435 540 HE22 GLN 75 2HE2 GLN 75 -17.623 -9.113 9.435 541 H GLY 76 H GLY 76 -18.320 -2.886 8.418 542 HA2 GLY 76 1HA GLY 76 -20.106 -1.481 8.022 543 HA3 GLY 76 2HA GLY 76 -21.173 -2.705 8.692 544 H HIS 77 H HIS 77 -21.253 -2.904 11.021 545 HA HIS 77 HA HIS 77 -21.207 -0.276 12.267 546 HB2 HIS 77 1HB HIS 77 -23.225 -1.655 12.502 547 HB3 HIS 77 2HB HIS 77 -22.279 -2.932 13.252 548 HD1 HIS 77 HD1 HIS 77 -23.771 0.431 13.943 549 HD2 HIS 77 HD2 HIS 77 -21.665 -2.539 15.948 550 HE1 HIS 77 HE1 HIS 77 -23.950 1.003 16.386 551 HE2 HIS 77 HE2 HIS 77 -22.553 -0.729 17.568 552 H HIS 78 H HIS 78 -19.242 0.269 12.967 553 HA HIS 78 HA HIS 78 -17.324 -1.556 14.001 554 HB2 HIS 78 1HB HIS 78 -16.782 0.672 12.983 555 HB3 HIS 78 2HB HIS 78 -17.461 1.443 14.411 556 HD1 HIS 78 HD1 HIS 78 -15.925 1.756 16.369 557 HD2 HIS 78 HD2 HIS 78 -14.394 -0.880 13.544 558 HE1 HIS 78 HE1 HIS 78 -13.566 1.280 17.095 559 HE2 HIS 78 HE2 HIS 78 -12.605 -0.156 15.263 560 H HIS 79 H HIS 79 -16.724 -1.948 16.135 561 HA HIS 79 HA HIS 79 -17.053 -2.388 18.328 562 HB2 HIS 79 1HB HIS 79 -16.934 0.083 18.559 563 HB3 HIS 79 2HB HIS 79 -18.678 0.169 18.349 564 HD1 HIS 79 HD1 HIS 79 -16.173 -1.403 20.740 565 HD2 HIS 79 HD2 HIS 79 -20.062 0.054 20.673 566 HE1 HIS 79 HE1 HIS 79 -16.955 -1.462 23.122 567 HE2 HIS 79 HE2 HIS 79 -19.249 -0.425 23.078 568 H HIS 80 H HIS 80 -18.270 -4.166 17.383 569 HA HIS 80 HA HIS 80 -21.159 -3.981 17.356 570 HB2 HIS 80 1HB HIS 80 -19.885 -5.252 15.630 571 HB3 HIS 80 2HB HIS 80 -19.364 -6.370 16.882 572 HD1 HIS 80 HD1 HIS 80 -20.833 -8.335 17.284 573 HD2 HIS 80 HD2 HIS 80 -22.789 -5.315 15.210 574 HE1 HIS 80 HE1 HIS 80 -23.050 -9.306 16.610 575 HE2 HIS 80 HE2 HIS 80 -24.130 -7.529 15.194 576 H HIS 81 H HIS 81 -21.335 -3.482 19.642 577 HA HIS 81 HA HIS 81 -20.681 -5.506 21.582 578 HB2 HIS 81 1HB HIS 81 -20.727 -3.117 22.198 579 HB3 HIS 81 2HB HIS 81 -22.442 -3.049 21.816 580 HD1 HIS 81 HD1 HIS 81 -20.042 -4.373 24.377 581 HD2 HIS 81 HD2 HIS 81 -24.143 -4.026 23.800 582 HE1 HIS 81 HE1 HIS 81 -21.086 -4.932 26.593 583 HE2 HIS 81 HE2 HIS 81 -23.555 -4.567 26.259 584 H HIS 82 H HIS 82 -21.730 -7.392 21.343 585 HA HIS 82 HA HIS 82 -24.662 -7.318 21.357 586 HB2 HIS 82 1HB HIS 82 -23.913 -7.684 19.021 587 HB3 HIS 82 2HB HIS 82 -23.009 -9.097 19.548 588 HD1 HIS 82 HD1 HIS 82 -24.266 -11.270 19.753 589 HD2 HIS 82 HD2 HIS 82 -26.769 -8.009 19.135 590 HE1 HIS 82 HE1 HIS 82 -26.536 -12.238 19.285 591 HE2 HIS 82 HE2 HIS 82 -28.060 -10.249 19.046 Start of MODEL 11 1 H2 MET 1 2H MET 1 5.469 -10.877 -7.961 2 H MET 1 1H MET 1 4.049 -11.704 -8.360 3 H3 MET 1 3H MET 1 4.601 -10.443 -9.342 4 HA MET 1 HA MET 1 4.213 -8.845 -7.617 5 HB2 MET 1 1HB MET 1 1.876 -10.679 -8.168 6 HB3 MET 1 2HB MET 1 1.714 -9.123 -7.372 7 HG2 MET 1 1HG MET 1 2.597 -8.016 -9.368 8 HG3 MET 1 2HG MET 1 2.740 -9.583 -10.162 9 HE1 MET 1 1HE MET 1 1.117 -6.968 -11.248 10 HE2 MET 1 2HE MET 1 -0.304 -7.752 -11.938 11 HE3 MET 1 3HE MET 1 1.296 -8.451 -12.184 12 H ALA 2 H ALA 2 4.537 -8.524 -5.539 13 HA ALA 2 HA ALA 2 3.831 -10.660 -3.641 14 HB1 ALA 2 1HB ALA 2 6.186 -9.986 -3.587 15 HB2 ALA 2 2HB ALA 2 5.368 -9.565 -2.081 16 HB3 ALA 2 3HB ALA 2 5.704 -8.317 -3.281 17 H GLN 3 H GLN 3 2.633 -10.132 -1.784 18 HA GLN 3 HA GLN 3 1.424 -7.459 -1.797 19 HB2 GLN 3 1HB GLN 3 -0.031 -10.064 -1.336 20 HB3 GLN 3 2HB GLN 3 -0.728 -8.465 -1.127 21 HG2 GLN 3 1HG GLN 3 -0.337 -8.010 -3.507 22 HG3 GLN 3 2HG GLN 3 0.285 -9.646 -3.699 23 HE21 GLN 3 1HE2 GLN 3 -1.956 -8.416 -5.019 24 HE22 GLN 3 2HE2 GLN 3 -3.347 -9.364 -4.620 25 H GLY 4 H GLY 4 0.248 -7.079 0.321 26 HA2 GLY 4 1HA GLY 4 0.874 -8.489 2.647 27 HA3 GLY 4 2HA GLY 4 2.112 -7.263 2.413 28 H THR 5 H THR 5 1.314 -6.394 4.425 29 HA THR 5 HA THR 5 -0.999 -4.626 3.950 30 HB THR 5 HB THR 5 -0.156 -5.665 6.658 31 HG1 THR 5 HG1 THR 5 -0.996 -7.341 5.231 32 HG21 THR 5 1HG2 THR 5 -1.372 -3.535 6.648 33 HG22 THR 5 2HG2 THR 5 -2.337 -4.826 7.366 34 HG23 THR 5 3HG2 THR 5 -2.672 -4.286 5.720 35 H VAL 6 H VAL 6 -0.328 -2.583 3.809 36 HA VAL 6 HA VAL 6 2.192 -1.690 4.707 37 HB VAL 6 HB VAL 6 1.263 -0.367 3.012 38 HG11 VAL 6 1HG1 VAL 6 -1.206 -0.067 4.696 39 HG12 VAL 6 2HG1 VAL 6 -1.048 -1.035 3.230 40 HG13 VAL 6 3HG1 VAL 6 -0.922 0.721 3.148 41 HG21 VAL 6 1HG2 VAL 6 1.061 1.877 3.969 42 HG22 VAL 6 2HG2 VAL 6 2.389 0.976 4.705 43 HG23 VAL 6 3HG2 VAL 6 0.866 1.171 5.574 44 H LYS 7 H LYS 7 2.799 -1.676 6.729 45 HA LYS 7 HA LYS 7 0.960 -1.847 8.877 46 HB2 LYS 7 1HB LYS 7 2.944 -1.779 10.317 47 HB3 LYS 7 2HB LYS 7 3.150 -2.911 8.991 48 HG2 LYS 7 1HG LYS 7 4.603 -1.441 7.847 49 HG3 LYS 7 2HG LYS 7 4.223 -0.113 8.941 50 HD2 LYS 7 1HD LYS 7 6.368 -0.990 9.539 51 HD3 LYS 7 2HD LYS 7 5.216 -1.440 10.794 52 HE2 LYS 7 1HE LYS 7 5.014 -3.666 9.802 53 HE3 LYS 7 2HE LYS 7 6.173 -3.214 8.554 54 HZ1 LYS 7 1HZ LYS 7 7.766 -2.772 10.418 55 HZ2 LYS 7 2HZ LYS 7 7.365 -4.396 10.184 56 HZ3 LYS 7 3HZ LYS 7 6.666 -3.525 11.460 57 H TRP 8 H TRP 8 2.796 0.711 7.411 58 HA TRP 8 HA TRP 8 0.965 2.669 8.257 59 HB2 TRP 8 1HB TRP 8 2.394 4.067 9.652 60 HB3 TRP 8 2HB TRP 8 2.168 2.494 10.401 61 HD1 TRP 8 HD1 TRP 8 4.291 0.969 10.717 62 HE1 TRP 8 HE1 TRP 8 6.814 1.427 10.552 63 HE3 TRP 8 HE3 TRP 8 4.141 5.474 8.300 64 HZ2 TRP 8 HZ2 TRP 8 8.517 3.440 9.546 65 HZ3 TRP 8 HZ3 TRP 8 6.267 6.598 7.776 66 HH2 TRP 8 HH2 TRP 8 8.405 5.597 8.386 67 H PHE 9 H PHE 9 1.372 4.702 7.289 68 HA PHE 9 HA PHE 9 3.701 4.891 5.574 69 HB2 PHE 9 1HB PHE 9 1.962 3.735 4.221 70 HB3 PHE 9 2HB PHE 9 0.909 5.129 4.441 71 HD1 PHE 9 HD1 PHE 9 1.180 7.086 3.136 72 HD2 PHE 9 HD2 PHE 9 4.066 3.971 2.960 73 HE1 PHE 9 HE1 PHE 9 2.218 8.163 1.183 74 HE2 PHE 9 HE2 PHE 9 5.111 5.041 1.011 75 HZ PHE 9 HZ PHE 9 4.187 7.141 0.121 76 H ASN 10 H ASN 10 4.505 6.821 5.788 77 HA ASN 10 HA ASN 10 2.941 9.001 6.866 78 HB2 ASN 10 1HB ASN 10 5.325 8.594 7.513 79 HB3 ASN 10 2HB ASN 10 5.801 8.990 5.869 80 HD21 ASN 10 1HD2 ASN 10 6.471 10.251 8.421 81 HD22 ASN 10 2HD2 ASN 10 6.011 11.908 8.257 82 H ALA 11 H ALA 11 1.527 9.818 5.456 83 HA ALA 11 HA ALA 11 1.869 9.567 2.649 84 HB1 ALA 11 1HB ALA 11 -0.209 11.089 4.200 85 HB2 ALA 11 2HB ALA 11 -0.312 9.399 3.706 86 HB3 ALA 11 3HB ALA 11 -0.291 10.676 2.488 87 H GLU 12 H GLU 12 2.450 12.174 4.904 88 HA GLU 12 HA GLU 12 2.427 14.178 2.833 89 HB2 GLU 12 1HB GLU 12 3.062 15.749 4.581 90 HB3 GLU 12 2HB GLU 12 1.706 14.758 5.095 91 HG2 GLU 12 1HG GLU 12 3.179 13.397 6.445 92 HG3 GLU 12 2HG GLU 12 4.572 14.316 5.880 93 H LYS 13 H LYS 13 4.739 12.077 4.261 94 HA LYS 13 HA LYS 13 6.946 13.606 3.090 95 HB2 LYS 13 1HB LYS 13 7.022 11.193 4.896 96 HB3 LYS 13 2HB LYS 13 8.417 12.104 4.344 97 HG2 LYS 13 1HG LYS 13 6.223 13.085 6.140 98 HG3 LYS 13 2HG LYS 13 7.882 12.718 6.600 99 HD2 LYS 13 1HD LYS 13 8.668 14.513 5.121 100 HD3 LYS 13 2HD LYS 13 6.997 14.889 4.710 101 HE2 LYS 13 1HE LYS 13 6.537 15.409 7.050 102 HE3 LYS 13 2HE LYS 13 8.206 15.028 7.466 103 HZ1 LYS 13 1HZ LYS 13 8.947 16.843 6.076 104 HZ2 LYS 13 2HZ LYS 13 7.841 17.412 7.224 105 HZ3 LYS 13 3HZ LYS 13 7.355 17.192 5.622 106 H GLY 14 H GLY 14 5.213 10.600 2.866 107 HA2 GLY 14 1HA GLY 14 4.867 9.490 0.835 108 HA3 GLY 14 2HA GLY 14 6.283 10.289 0.177 109 H PHE 15 H PHE 15 6.252 8.527 3.239 110 HA PHE 15 HA PHE 15 7.403 6.192 1.947 111 HB2 PHE 15 1HB PHE 15 9.420 6.143 3.233 112 HB3 PHE 15 2HB PHE 15 9.326 7.714 2.453 113 HD1 PHE 15 HD1 PHE 15 8.815 9.727 3.788 114 HD2 PHE 15 HD2 PHE 15 9.387 5.918 5.599 115 HE1 PHE 15 HE1 PHE 15 9.149 10.815 5.970 116 HE2 PHE 15 HE2 PHE 15 9.721 7.002 7.780 117 HZ PHE 15 HZ PHE 15 9.601 9.453 7.967 118 H GLY 16 H GLY 16 7.546 4.333 3.353 119 HA2 GLY 16 1HA GLY 16 6.482 4.364 5.990 120 HA3 GLY 16 2HA GLY 16 5.246 3.893 4.832 121 H PHE 17 H PHE 17 5.248 1.848 6.007 122 HA PHE 17 HA PHE 17 7.238 0.032 4.853 123 HB2 PHE 17 1HB PHE 17 6.670 0.396 7.764 124 HB3 PHE 17 2HB PHE 17 7.055 -1.213 7.165 125 HD1 PHE 17 HD1 PHE 17 8.340 2.069 7.980 126 HD2 PHE 17 HD2 PHE 17 9.246 -1.661 6.148 127 HE1 PHE 17 HE1 PHE 17 10.739 2.590 8.121 128 HE2 PHE 17 HE2 PHE 17 11.646 -1.147 6.282 129 HZ PHE 17 HZ PHE 17 12.398 0.977 7.271 130 H ILE 18 H ILE 18 6.539 -2.014 4.469 131 HA ILE 18 HA ILE 18 3.701 -2.583 5.009 132 HB ILE 18 HB ILE 18 5.329 -3.312 2.573 133 HG12 ILE 18 1HG1 ILE 18 2.760 -1.755 2.697 134 HG13 ILE 18 2HG1 ILE 18 4.342 -0.988 2.747 135 HG21 ILE 18 1HG2 ILE 18 3.280 -4.387 1.727 136 HG22 ILE 18 2HG2 ILE 18 2.531 -4.145 3.306 137 HG23 ILE 18 3HG2 ILE 18 3.942 -5.193 3.150 138 HD11 ILE 18 1HD1 ILE 18 3.294 -2.718 0.518 139 HD12 ILE 18 2HD1 ILE 18 4.870 -1.925 0.563 140 HD13 ILE 18 3HD1 ILE 18 3.396 -0.956 0.503 141 H ALA 19 H ALA 19 3.206 -4.583 5.756 142 HA ALA 19 HA ALA 19 5.423 -6.427 6.291 143 HB1 ALA 19 1HB ALA 19 3.892 -7.556 7.805 144 HB2 ALA 19 2HB ALA 19 2.572 -6.508 7.286 145 HB3 ALA 19 3HB ALA 19 3.937 -5.831 8.174 146 HA PRO 20 HA PRO 20 3.838 -8.157 2.367 147 HB2 PRO 20 1HB PRO 20 6.294 -9.765 2.732 148 HB3 PRO 20 2HB PRO 20 5.747 -8.851 1.327 149 HG2 PRO 20 1HG PRO 20 7.748 -7.959 2.843 150 HG3 PRO 20 2HG PRO 20 6.556 -6.847 2.149 151 HD2 PRO 20 1HD PRO 20 6.787 -7.874 4.940 152 HD3 PRO 20 2HD PRO 20 6.341 -6.258 4.365 153 H ASP 21 H ASP 21 2.584 -9.861 2.072 154 HA ASP 21 HA ASP 21 2.351 -11.967 4.013 155 HB2 ASP 21 1HB ASP 21 0.427 -11.117 2.671 156 HB3 ASP 21 2HB ASP 21 1.184 -11.775 1.225 157 H ASP 22 H ASP 22 4.372 -11.251 1.498 158 HA ASP 22 HA ASP 22 4.942 -13.854 0.466 159 HB2 ASP 22 1HB ASP 22 5.207 -11.649 -0.758 160 HB3 ASP 22 2HB ASP 22 6.639 -11.370 0.225 161 H GLY 23 H GLY 23 5.227 -13.406 3.405 162 HA2 GLY 23 1HA GLY 23 6.666 -14.725 4.791 163 HA3 GLY 23 2HA GLY 23 7.966 -14.450 3.643 164 H SER 24 H SER 24 6.084 -11.755 4.310 165 HA SER 24 HA SER 24 6.645 -9.723 5.178 166 HB2 SER 24 1HB SER 24 6.631 -9.937 7.750 167 HB3 SER 24 2HB SER 24 5.217 -10.465 6.842 168 HG SER 24 HG SER 24 6.037 -12.608 6.986 169 H ALA 25 H ALA 25 8.793 -9.623 4.135 170 HA ALA 25 HA ALA 25 11.027 -9.845 5.977 171 HB1 ALA 25 1HB ALA 25 10.951 -8.813 3.146 172 HB2 ALA 25 2HB ALA 25 11.343 -10.463 3.630 173 HB3 ALA 25 3HB ALA 25 12.403 -9.132 4.096 174 H ASP 26 H ASP 26 8.640 -7.820 5.903 175 HA ASP 26 HA ASP 26 8.174 -5.661 6.365 176 HB2 ASP 26 1HB ASP 26 10.860 -5.917 7.711 177 HB3 ASP 26 2HB ASP 26 9.867 -4.465 7.832 178 H VAL 27 H VAL 27 8.035 -4.801 4.384 179 HA VAL 27 HA VAL 27 10.500 -4.009 3.029 180 HB VAL 27 HB VAL 27 8.875 -5.501 1.876 181 HG11 VAL 27 1HG1 VAL 27 6.840 -4.529 0.935 182 HG12 VAL 27 2HG1 VAL 27 7.130 -3.059 1.867 183 HG13 VAL 27 3HG1 VAL 27 6.809 -4.583 2.698 184 HG21 VAL 27 1HG2 VAL 27 9.370 -2.836 0.584 185 HG22 VAL 27 2HG2 VAL 27 8.928 -4.321 -0.263 186 HG23 VAL 27 3HG2 VAL 27 10.462 -4.220 0.600 187 H PHE 28 H PHE 28 10.906 -1.958 2.374 188 HA PHE 28 HA PHE 28 9.476 0.137 3.793 189 HB2 PHE 28 1HB PHE 28 11.920 0.077 3.895 190 HB3 PHE 28 2HB PHE 28 12.011 0.179 2.143 191 HD1 PHE 28 HD1 PHE 28 11.015 2.026 5.185 192 HD2 PHE 28 HD2 PHE 28 11.969 2.253 1.045 193 HE1 PHE 28 HE1 PHE 28 11.101 4.478 5.344 194 HE2 PHE 28 HE2 PHE 28 12.052 4.706 1.197 195 HZ PHE 28 HZ PHE 28 11.619 5.822 3.348 196 H VAL 29 H VAL 29 8.230 1.668 2.855 197 HA VAL 29 HA VAL 29 7.810 1.398 -0.049 198 HB VAL 29 HB VAL 29 5.869 2.898 1.614 199 HG11 VAL 29 1HG1 VAL 29 4.276 1.899 0.052 200 HG12 VAL 29 2HG1 VAL 29 5.584 0.972 -0.681 201 HG13 VAL 29 3HG1 VAL 29 5.582 2.732 -0.789 202 HG21 VAL 29 1HG2 VAL 29 4.684 0.890 2.279 203 HG22 VAL 29 2HG2 VAL 29 6.298 0.937 2.989 204 HG23 VAL 29 3HG2 VAL 29 5.972 -0.108 1.604 205 H HIS 30 H HIS 30 7.794 3.175 -1.344 206 HA HIS 30 HA HIS 30 8.138 5.813 -0.146 207 HB2 HIS 30 1HB HIS 30 10.402 4.895 -0.649 208 HB3 HIS 30 2HB HIS 30 9.929 4.728 -2.335 209 HD1 HIS 30 HD1 HIS 30 11.148 6.456 -3.589 210 HD2 HIS 30 HD2 HIS 30 9.698 7.910 0.031 211 HE1 HIS 30 HE1 HIS 30 11.731 8.907 -3.554 212 HE2 HIS 30 HE2 HIS 30 10.962 9.733 -1.301 213 H TYR 31 H TYR 31 7.133 7.412 -1.306 214 HA TYR 31 HA TYR 31 4.931 6.545 -2.792 215 HB2 TYR 31 1HB TYR 31 4.228 8.782 -2.864 216 HB3 TYR 31 2HB TYR 31 5.130 8.630 -1.364 217 HD1 TYR 31 HD1 TYR 31 4.743 10.457 -4.381 218 HD2 TYR 31 HD2 TYR 31 7.595 9.412 -1.405 219 HE1 TYR 31 HE1 TYR 31 6.129 12.370 -5.048 220 HE2 TYR 31 HE2 TYR 31 8.990 11.325 -2.063 221 HH TYR 31 HH TYR 31 7.874 13.830 -4.032 222 H SER 32 H SER 32 8.074 7.279 -3.907 223 HA SER 32 HA SER 32 7.389 8.064 -6.558 224 HB2 SER 32 1HB SER 32 9.619 8.503 -5.548 225 HB3 SER 32 2HB SER 32 9.943 6.770 -5.550 226 HG SER 32 HG SER 32 9.371 8.311 -7.868 227 H GLU 33 H GLU 33 7.572 5.089 -4.851 228 HA GLU 33 HA GLU 33 7.604 3.464 -7.265 229 HB2 GLU 33 1HB GLU 33 7.746 2.854 -4.325 230 HB3 GLU 33 2HB GLU 33 7.508 1.593 -5.518 231 HG2 GLU 33 1HG GLU 33 9.840 1.785 -4.824 232 HG3 GLU 33 2HG GLU 33 9.637 2.107 -6.542 233 H ILE 34 H ILE 34 5.406 4.750 -4.971 234 HA ILE 34 HA ILE 34 3.387 2.765 -5.216 235 HB ILE 34 HB ILE 34 3.158 5.616 -4.260 236 HG12 ILE 34 1HG1 ILE 34 3.469 3.023 -2.738 237 HG13 ILE 34 2HG1 ILE 34 4.697 4.272 -2.909 238 HG21 ILE 34 1HG2 ILE 34 1.242 3.304 -3.956 239 HG22 ILE 34 2HG2 ILE 34 0.993 4.742 -4.950 240 HG23 ILE 34 3HG2 ILE 34 1.071 4.888 -3.193 241 HD11 ILE 34 1HD1 ILE 34 2.045 4.586 -1.533 242 HD12 ILE 34 2HD1 ILE 34 3.284 5.830 -1.695 243 HD13 ILE 34 3HD1 ILE 34 3.608 4.378 -0.745 244 H GLN 35 H GLN 35 1.640 2.669 -6.447 245 HA GLN 35 HA GLN 35 1.486 4.541 -8.707 246 HB2 GLN 35 1HB GLN 35 0.436 1.712 -8.513 247 HB3 GLN 35 2HB GLN 35 0.508 2.713 -9.958 248 HG2 GLN 35 1HG GLN 35 2.888 1.727 -8.406 249 HG3 GLN 35 2HG GLN 35 2.274 1.016 -9.896 250 HE21 GLN 35 1HE2 GLN 35 4.854 2.300 -9.190 251 HE22 GLN 35 2HE2 GLN 35 5.086 3.517 -10.393 252 H GLY 36 H GLY 36 -0.509 5.460 -9.206 253 HA2 GLY 36 1HA GLY 36 -2.933 4.661 -7.959 254 HA3 GLY 36 2HA GLY 36 -2.226 6.025 -7.105 255 H ASN 37 H ASN 37 -4.011 7.303 -7.666 256 HA ASN 37 HA ASN 37 -4.120 8.079 -10.501 257 HB2 ASN 37 1HB ASN 37 -6.513 8.720 -10.009 258 HB3 ASN 37 2HB ASN 37 -6.175 6.996 -9.973 259 HD21 ASN 37 1HD2 ASN 37 -7.952 6.579 -8.703 260 HD22 ASN 37 2HD2 ASN 37 -8.017 6.991 -7.023 261 H GLY 38 H GLY 38 -2.363 9.192 -8.569 262 HA2 GLY 38 1HA GLY 38 -1.822 11.603 -8.671 263 HA3 GLY 38 2HA GLY 38 -3.503 11.901 -8.240 264 H PHE 39 H PHE 39 -3.686 9.786 -6.328 265 HA PHE 39 HA PHE 39 -2.066 10.887 -4.160 266 HB2 PHE 39 1HB PHE 39 -4.492 9.089 -4.176 267 HB3 PHE 39 2HB PHE 39 -3.547 9.391 -2.724 268 HD1 PHE 39 HD1 PHE 39 -6.093 10.639 -4.939 269 HD2 PHE 39 HD2 PHE 39 -3.392 11.715 -1.830 270 HE1 PHE 39 HE1 PHE 39 -7.411 12.667 -4.503 271 HE2 PHE 39 HE2 PHE 39 -4.707 13.748 -1.388 272 HZ PHE 39 HZ PHE 39 -6.719 14.227 -2.726 273 H ARG 40 H ARG 40 -0.086 9.969 -4.335 274 HA ARG 40 HA ARG 40 0.092 7.068 -4.584 275 HB2 ARG 40 1HB ARG 40 2.241 9.193 -4.543 276 HB3 ARG 40 2HB ARG 40 2.546 7.469 -4.711 277 HG2 ARG 40 1HG ARG 40 1.124 7.488 -6.755 278 HG3 ARG 40 2HG ARG 40 1.042 9.244 -6.618 279 HD2 ARG 40 1HD ARG 40 3.492 9.347 -6.785 280 HD3 ARG 40 2HD ARG 40 3.539 7.594 -6.967 281 HE ARG 40 HE ARG 40 1.996 9.188 -8.884 282 HH11 ARG 40 1HH1 ARG 40 4.704 7.082 -8.199 283 HH12 ARG 40 2HH1 ARG 40 5.088 6.823 -9.870 284 HH21 ARG 40 1HH2 ARG 40 2.500 8.842 -11.091 285 HH22 ARG 40 2HH2 ARG 40 3.857 7.843 -11.511 286 H THR 41 H THR 41 -1.103 7.095 -2.524 287 HA THR 41 HA THR 41 0.732 7.169 -0.239 288 HB THR 41 HB THR 41 -1.197 7.996 1.141 289 HG1 THR 41 HG1 THR 41 -2.854 7.472 -0.395 290 HG21 THR 41 1HG2 THR 41 -0.228 9.797 -1.080 291 HG22 THR 41 2HG2 THR 41 0.554 9.537 0.480 292 HG23 THR 41 3HG2 THR 41 -1.008 10.350 0.402 293 H LEU 42 H LEU 42 -0.046 5.874 1.584 294 HA LEU 42 HA LEU 42 -1.863 3.710 0.791 295 HB2 LEU 42 1HB LEU 42 0.781 3.485 2.222 296 HB3 LEU 42 2HB LEU 42 -0.387 2.184 2.124 297 HG LEU 42 HG LEU 42 1.019 3.451 -0.218 298 HD11 LEU 42 1HD1 LEU 42 2.241 1.380 -0.370 299 HD12 LEU 42 2HD1 LEU 42 1.378 0.734 1.023 300 HD13 LEU 42 3HD1 LEU 42 2.480 2.096 1.223 301 HD21 LEU 42 1HD2 LEU 42 -0.915 1.144 -0.050 302 HD22 LEU 42 2HD2 LEU 42 0.046 1.542 -1.474 303 HD23 LEU 42 3HD2 LEU 42 -1.162 2.681 -0.881 304 H GLU 43 H GLU 43 -3.124 2.858 2.429 305 HA GLU 43 HA GLU 43 -3.505 4.619 4.705 306 HB2 GLU 43 1HB GLU 43 -5.078 2.216 3.767 307 HB3 GLU 43 2HB GLU 43 -5.547 3.283 5.079 308 HG2 GLU 43 1HG GLU 43 -5.215 4.125 2.210 309 HG3 GLU 43 2HG GLU 43 -6.751 3.719 2.974 310 H GLU 44 H GLU 44 -2.961 4.124 6.739 311 HA GLU 44 HA GLU 44 -1.176 2.054 7.311 312 HB2 GLU 44 1HB GLU 44 -1.388 4.161 8.597 313 HB3 GLU 44 2HB GLU 44 -2.927 3.600 9.224 314 HG2 GLU 44 1HG GLU 44 -1.806 1.734 10.307 315 HG3 GLU 44 2HG GLU 44 -0.262 2.300 9.689 316 H ASN 45 H ASN 45 -1.458 -0.002 7.721 317 HA ASN 45 HA ASN 45 -2.365 -2.012 8.178 318 HB2 ASN 45 1HB ASN 45 -4.410 -0.320 9.588 319 HB3 ASN 45 2HB ASN 45 -4.567 -2.070 9.488 320 HD21 ASN 45 1HD2 ASN 45 -2.897 0.570 10.904 321 HD22 ASN 45 2HD2 ASN 45 -1.957 -0.344 12.026 322 H GLN 46 H GLN 46 -2.648 -1.002 5.707 323 HA GLN 46 HA GLN 46 -5.245 -2.114 4.875 324 HB2 GLN 46 1HB GLN 46 -5.142 0.247 4.340 325 HB3 GLN 46 2HB GLN 46 -3.572 0.040 3.579 326 HG2 GLN 46 1HG GLN 46 -4.585 -1.350 1.856 327 HG3 GLN 46 2HG GLN 46 -6.162 -1.145 2.611 328 HE21 GLN 46 1HE2 GLN 46 -3.620 0.391 0.834 329 HE22 GLN 46 2HE2 GLN 46 -4.525 1.774 0.327 330 H LYS 47 H LYS 47 -5.212 -3.670 3.298 331 HA LYS 47 HA LYS 47 -2.796 -5.020 2.738 332 HB2 LYS 47 1HB LYS 47 -5.569 -5.215 1.598 333 HB3 LYS 47 2HB LYS 47 -4.240 -6.173 0.956 334 HG2 LYS 47 1HG LYS 47 -5.055 -6.185 3.847 335 HG3 LYS 47 2HG LYS 47 -5.658 -7.333 2.651 336 HD2 LYS 47 1HD LYS 47 -3.416 -8.127 2.224 337 HD3 LYS 47 2HD LYS 47 -2.744 -6.900 3.299 338 HE2 LYS 47 1HE LYS 47 -2.799 -9.022 4.433 339 HE3 LYS 47 2HE LYS 47 -3.955 -7.923 5.181 340 HZ1 LYS 47 1HZ LYS 47 -4.605 -10.086 3.254 341 HZ2 LYS 47 2HZ LYS 47 -5.724 -9.025 3.941 342 HZ3 LYS 47 3HZ LYS 47 -4.891 -10.124 4.919 343 H VAL 48 H VAL 48 -1.631 -5.166 0.842 344 HA VAL 48 HA VAL 48 -2.060 -3.180 -1.223 345 HB VAL 48 HB VAL 48 -0.993 -1.919 0.593 346 HG11 VAL 48 1HG1 VAL 48 1.265 -3.882 0.283 347 HG12 VAL 48 2HG1 VAL 48 0.168 -3.765 1.660 348 HG13 VAL 48 3HG1 VAL 48 1.277 -2.440 1.300 349 HG21 VAL 48 1HG2 VAL 48 0.820 -2.391 -1.763 350 HG22 VAL 48 2HG2 VAL 48 0.894 -1.006 -0.674 351 HG23 VAL 48 3HG2 VAL 48 -0.525 -1.255 -1.690 352 H GLU 49 H GLU 49 -0.724 -3.471 -3.021 353 HA GLU 49 HA GLU 49 0.726 -6.028 -3.119 354 HB2 GLU 49 1HB GLU 49 -1.335 -6.053 -4.420 355 HB3 GLU 49 2HB GLU 49 -0.850 -4.587 -5.250 356 HG2 GLU 49 1HG GLU 49 0.986 -5.749 -6.300 357 HG3 GLU 49 2HG GLU 49 0.582 -7.223 -5.412 358 H PHE 50 H PHE 50 2.702 -6.041 -4.248 359 HA PHE 50 HA PHE 50 3.793 -3.657 -5.400 360 HB2 PHE 50 1HB PHE 50 5.560 -3.388 -3.607 361 HB3 PHE 50 2HB PHE 50 3.939 -2.890 -3.139 362 HD1 PHE 50 HD1 PHE 50 2.590 -4.317 -1.647 363 HD2 PHE 50 HD2 PHE 50 6.672 -5.175 -2.497 364 HE1 PHE 50 HE1 PHE 50 2.673 -5.814 0.294 365 HE2 PHE 50 HE2 PHE 50 6.757 -6.673 -0.549 366 HZ PHE 50 HZ PHE 50 4.759 -6.994 0.847 367 H GLU 51 H GLU 51 6.281 -3.929 -5.547 368 HA GLU 51 HA GLU 51 6.997 -6.774 -5.819 369 HB2 GLU 51 1HB GLU 51 6.768 -5.731 -8.033 370 HB3 GLU 51 2HB GLU 51 7.881 -4.456 -7.553 371 HG2 GLU 51 1HG GLU 51 9.649 -6.146 -7.273 372 HG3 GLU 51 2HG GLU 51 8.528 -7.377 -7.844 373 H ILE 52 H ILE 52 8.641 -7.333 -4.523 374 HA ILE 52 HA ILE 52 9.865 -5.278 -2.935 375 HB ILE 52 HB ILE 52 10.359 -8.252 -2.922 376 HG12 ILE 52 1HG1 ILE 52 8.695 -6.514 -1.096 377 HG13 ILE 52 2HG1 ILE 52 8.049 -7.583 -2.335 378 HG21 ILE 52 1HG2 ILE 52 12.251 -7.007 -2.019 379 HG22 ILE 52 2HG2 ILE 52 11.393 -7.854 -0.732 380 HG23 ILE 52 3HG2 ILE 52 11.167 -6.119 -0.949 381 HD11 ILE 52 1HD1 ILE 52 8.975 -9.504 -1.150 382 HD12 ILE 52 2HD1 ILE 52 7.869 -8.576 -0.135 383 HD13 ILE 52 3HD1 ILE 52 9.613 -8.427 0.092 384 H GLY 53 H GLY 53 11.613 -4.245 -3.390 385 HA2 GLY 53 1HA GLY 53 13.713 -5.591 -4.972 386 HA3 GLY 53 2HA GLY 53 13.399 -3.859 -5.060 387 H GLU 54 H GLU 54 15.841 -4.092 -4.493 388 HA GLU 54 HA GLU 54 16.157 -4.371 -1.593 389 HB2 GLU 54 1HB GLU 54 17.621 -5.689 -3.168 390 HB3 GLU 54 2HB GLU 54 18.328 -4.163 -3.673 391 HG2 GLU 54 1HG GLU 54 19.722 -5.277 -2.030 392 HG3 GLU 54 2HG GLU 54 19.099 -3.753 -1.403 393 H GLY 55 H GLY 55 16.759 -2.698 -0.346 394 HA2 GLY 55 1HA GLY 55 17.130 -0.104 -1.697 395 HA3 GLY 55 2HA GLY 55 16.349 -0.299 -0.135 396 H ALA 56 H ALA 56 17.872 1.293 0.612 397 HA ALA 56 HA ALA 56 20.677 0.749 0.533 398 HB1 ALA 56 1HB ALA 56 19.188 2.752 2.218 399 HB2 ALA 56 2HB ALA 56 19.774 3.034 0.579 400 HB3 ALA 56 3HB ALA 56 20.920 2.738 1.887 401 H LYS 57 H LYS 57 18.158 0.490 3.007 402 HA LYS 57 HA LYS 57 20.091 -0.951 4.696 403 HB2 LYS 57 1HB LYS 57 17.731 0.727 5.551 404 HB3 LYS 57 2HB LYS 57 18.750 -0.204 6.639 405 HG2 LYS 57 1HG LYS 57 19.734 2.032 4.882 406 HG3 LYS 57 2HG LYS 57 19.290 2.209 6.580 407 HD2 LYS 57 1HD LYS 57 21.026 0.596 7.200 408 HD3 LYS 57 2HD LYS 57 21.464 0.414 5.500 409 HE2 LYS 57 1HE LYS 57 22.096 2.757 5.390 410 HE3 LYS 57 2HE LYS 57 21.597 2.987 7.064 411 HZ1 LYS 57 1HZ LYS 57 23.997 2.718 6.851 412 HZ2 LYS 57 2HZ LYS 57 23.780 1.188 6.166 413 HZ3 LYS 57 3HZ LYS 57 23.319 1.469 7.766 414 H GLY 58 H GLY 58 17.150 -1.165 2.989 415 HA2 GLY 58 1HA GLY 58 16.847 -3.913 3.728 416 HA3 GLY 58 2HA GLY 58 15.587 -2.903 4.419 417 HA PRO 59 HA PRO 59 14.516 -4.326 0.030 418 HB2 PRO 59 1HB PRO 59 12.101 -5.396 0.791 419 HB3 PRO 59 2HB PRO 59 13.588 -6.324 0.611 420 HG2 PRO 59 1HG PRO 59 12.326 -5.225 3.081 421 HG3 PRO 59 2HG PRO 59 13.112 -6.792 2.826 422 HD2 PRO 59 1HD PRO 59 14.362 -4.776 4.082 423 HD3 PRO 59 2HD PRO 59 15.237 -5.898 3.023 424 H GLN 60 H GLN 60 13.110 -3.230 -1.274 425 HA GLN 60 HA GLN 60 11.406 -1.222 0.050 426 HB2 GLN 60 1HB GLN 60 11.916 0.364 -1.699 427 HB3 GLN 60 2HB GLN 60 13.415 -0.194 -0.969 428 HG2 GLN 60 1HG GLN 60 13.851 -1.635 -2.843 429 HG3 GLN 60 2HG GLN 60 12.284 -1.245 -3.551 430 HE21 GLN 60 1HE2 GLN 60 15.490 -0.127 -2.905 431 HE22 GLN 60 2HE2 GLN 60 15.445 1.252 -3.943 432 H ALA 61 H ALA 61 9.413 -0.868 -0.775 433 HA ALA 61 HA ALA 61 8.369 -2.930 -2.522 434 HB1 ALA 61 1HB ALA 61 6.182 -1.964 -1.977 435 HB2 ALA 61 2HB ALA 61 6.982 -0.656 -1.106 436 HB3 ALA 61 3HB ALA 61 7.117 -2.316 -0.522 437 H GLN 62 H GLN 62 8.533 -2.679 -4.622 438 HA GLN 62 HA GLN 62 8.435 0.015 -5.785 439 HB2 GLN 62 1HB GLN 62 9.195 -2.575 -7.130 440 HB3 GLN 62 2HB GLN 62 9.435 -0.949 -7.750 441 HG2 GLN 62 1HG GLN 62 11.053 -0.495 -6.006 442 HG3 GLN 62 2HG GLN 62 10.782 -2.095 -5.317 443 HE21 GLN 62 1HE2 GLN 62 11.493 -3.916 -6.456 444 HE22 GLN 62 2HE2 GLN 62 12.708 -3.801 -7.679 445 H GLN 63 H GLN 63 7.065 0.410 -7.595 446 HA GLN 63 HA GLN 63 5.055 0.366 -8.680 447 HB2 GLN 63 1HB GLN 63 5.661 -2.593 -8.717 448 HB3 GLN 63 2HB GLN 63 4.482 -1.790 -9.739 449 HG2 GLN 63 1HG GLN 63 7.427 -1.192 -9.747 450 HG3 GLN 63 2HG GLN 63 6.630 -2.302 -10.861 451 HE21 GLN 63 1HE2 GLN 63 7.214 0.998 -10.031 452 HE22 GLN 63 2HE2 GLN 63 6.464 1.699 -11.423 453 H VAL 64 H VAL 64 4.479 0.771 -6.197 454 HA VAL 64 HA VAL 64 3.094 -1.425 -4.941 455 HB VAL 64 HB VAL 64 3.148 1.413 -3.958 456 HG11 VAL 64 1HG1 VAL 64 1.639 -0.005 -2.763 457 HG12 VAL 64 2HG1 VAL 64 3.054 0.294 -1.752 458 HG13 VAL 64 3HG1 VAL 64 2.878 -1.247 -2.586 459 HG21 VAL 64 1HG2 VAL 64 5.191 0.864 -2.729 460 HG22 VAL 64 2HG2 VAL 64 5.440 0.787 -4.474 461 HG23 VAL 64 3HG2 VAL 64 5.254 -0.700 -3.543 462 H HIS 65 H HIS 65 1.059 -1.888 -5.210 463 HA HIS 65 HA HIS 65 -0.825 0.236 -6.008 464 HB2 HIS 65 1HB HIS 65 -0.826 -2.702 -6.711 465 HB3 HIS 65 2HB HIS 65 -2.208 -1.652 -6.965 466 HD1 HIS 65 HD1 HIS 65 -2.228 -0.245 -9.057 467 HD2 HIS 65 HD2 HIS 65 1.422 -2.114 -8.383 468 HE1 HIS 65 HE1 HIS 65 -0.897 0.099 -11.160 469 HE2 HIS 65 HE2 HIS 65 1.229 -1.201 -10.800 470 H ALA 66 H ALA 66 -2.372 0.639 -4.556 471 HA ALA 66 HA ALA 66 -2.424 -0.811 -2.100 472 HB1 ALA 66 1HB ALA 66 -2.798 1.602 -2.190 473 HB2 ALA 66 2HB ALA 66 -4.150 0.761 -1.431 474 HB3 ALA 66 3HB ALA 66 -4.290 1.336 -3.095 475 H LEU 67 H LEU 67 -3.915 -2.209 -1.313 476 HA LEU 67 HA LEU 67 -5.914 -3.212 -3.223 477 HB2 LEU 67 1HB LEU 67 -4.660 -4.572 -0.834 478 HB3 LEU 67 2HB LEU 67 -5.857 -5.291 -1.891 479 HG LEU 67 HG LEU 67 -3.051 -4.495 -2.666 480 HD11 LEU 67 1HD1 LEU 67 -4.338 -7.198 -2.324 481 HD12 LEU 67 2HD1 LEU 67 -3.147 -6.470 -1.247 482 HD13 LEU 67 3HD1 LEU 67 -2.696 -6.899 -2.897 483 HD21 LEU 67 1HD2 LEU 67 -4.570 -4.188 -4.539 484 HD22 LEU 67 2HD2 LEU 67 -5.231 -5.803 -4.292 485 HD23 LEU 67 3HD2 LEU 67 -3.554 -5.607 -4.801 486 H GLY 68 H GLY 68 -6.668 -0.947 -2.004 487 HA2 GLY 68 1HA GLY 68 -8.278 -1.766 0.331 488 HA3 GLY 68 2HA GLY 68 -7.755 -0.121 0.003 489 H GLY 69 H GLY 69 -8.523 -0.936 -2.943 490 HA2 GLY 69 1HA GLY 69 -10.709 -1.285 -3.970 491 HA3 GLY 69 2HA GLY 69 -11.412 -0.438 -2.600 492 H GLU 70 H GLU 70 -11.216 -0.023 -5.659 493 HA GLU 70 HA GLU 70 -9.973 2.603 -5.768 494 HB2 GLU 70 1HB GLU 70 -11.399 1.034 -7.924 495 HB3 GLU 70 2HB GLU 70 -10.499 2.523 -8.163 496 HG2 GLU 70 1HG GLU 70 -8.457 1.370 -7.408 497 HG3 GLU 70 2HG GLU 70 -9.383 -0.125 -7.281 498 H ASN 71 H ASN 71 -11.299 3.893 -4.514 499 HA ASN 71 HA ASN 71 -14.116 4.058 -5.122 500 HB2 ASN 71 1HB ASN 71 -14.177 5.867 -3.441 501 HB3 ASN 71 2HB ASN 71 -13.445 4.400 -2.811 502 HD21 ASN 71 1HD2 ASN 71 -13.238 7.182 -1.939 503 HD22 ASN 71 2HD2 ASN 71 -11.551 7.564 -1.944 504 H LEU 72 H LEU 72 -15.010 5.322 -6.594 505 HA LEU 72 HA LEU 72 -13.265 6.968 -8.217 506 HB2 LEU 72 1HB LEU 72 -14.863 5.454 -9.289 507 HB3 LEU 72 2HB LEU 72 -16.192 6.296 -8.517 508 HG LEU 72 HG LEU 72 -15.639 8.331 -9.797 509 HD11 LEU 72 1HD1 LEU 72 -13.251 7.946 -10.094 510 HD12 LEU 72 2HD1 LEU 72 -14.049 8.208 -11.645 511 HD13 LEU 72 3HD1 LEU 72 -13.595 6.577 -11.152 512 HD21 LEU 72 1HD2 LEU 72 -16.042 5.849 -11.460 513 HD22 LEU 72 2HD2 LEU 72 -16.368 7.500 -11.990 514 HD23 LEU 72 3HD2 LEU 72 -17.302 6.797 -10.669 515 H TYR 73 H TYR 73 -12.961 9.044 -7.834 516 HA TYR 73 HA TYR 73 -14.773 10.472 -6.090 517 HB2 TYR 73 1HB TYR 73 -12.102 11.128 -7.302 518 HB3 TYR 73 2HB TYR 73 -13.077 12.370 -6.520 519 HD1 TYR 73 HD1 TYR 73 -13.592 12.200 -4.117 520 HD2 TYR 73 HD2 TYR 73 -10.933 9.480 -6.016 521 HE1 TYR 73 HE1 TYR 73 -12.738 11.517 -1.919 522 HE2 TYR 73 HE2 TYR 73 -10.067 8.791 -3.819 523 HH TYR 73 HH TYR 73 -11.597 9.757 -0.859 524 H PHE 74 H PHE 74 -16.472 11.473 -6.824 525 HA PHE 74 HA PHE 74 -16.786 12.080 -9.623 526 HB2 PHE 74 1HB PHE 74 -18.597 12.669 -7.267 527 HB3 PHE 74 2HB PHE 74 -19.035 12.846 -8.963 528 HD1 PHE 74 HD1 PHE 74 -19.055 10.787 -10.423 529 HD2 PHE 74 HD2 PHE 74 -18.802 10.606 -6.179 530 HE1 PHE 74 HE1 PHE 74 -19.780 8.438 -10.482 531 HE2 PHE 74 HE2 PHE 74 -19.527 8.257 -6.234 532 HZ PHE 74 HZ PHE 74 -20.016 7.170 -8.387 533 H GLN 75 H GLN 75 -15.125 13.593 -9.935 534 HA GLN 75 HA GLN 75 -15.303 16.105 -8.444 535 HB2 GLN 75 1HB GLN 75 -13.157 15.124 -10.334 536 HB3 GLN 75 2HB GLN 75 -13.083 16.581 -9.354 537 HG2 GLN 75 1HG GLN 75 -13.184 13.752 -8.332 538 HG3 GLN 75 2HG GLN 75 -11.769 14.805 -8.363 539 HE21 GLN 75 1HE2 GLN 75 -11.640 16.519 -6.911 540 HE22 GLN 75 2HE2 GLN 75 -12.656 16.613 -5.512 541 H GLY 76 H GLY 76 -17.016 15.129 -10.800 542 HA2 GLY 76 1HA GLY 76 -16.425 16.526 -13.134 543 HA3 GLY 76 2HA GLY 76 -18.041 16.052 -12.633 544 H HIS 77 H HIS 77 -18.139 17.628 -10.252 545 HA HIS 77 HA HIS 77 -18.061 20.345 -11.388 546 HB2 HIS 77 1HB HIS 77 -20.103 19.083 -9.567 547 HB3 HIS 77 2HB HIS 77 -19.965 20.826 -9.758 548 HD1 HIS 77 HD1 HIS 77 -21.652 17.959 -11.137 549 HD2 HIS 77 HD2 HIS 77 -20.344 21.625 -12.591 550 HE1 HIS 77 HE1 HIS 77 -22.926 18.332 -13.270 551 HE2 HIS 77 HE2 HIS 77 -22.240 20.627 -14.042 552 H HIS 78 H HIS 78 -16.044 18.876 -9.844 553 HA HIS 78 HA HIS 78 -14.482 19.297 -8.257 554 HB2 HIS 78 1HB HIS 78 -15.901 21.954 -7.972 555 HB3 HIS 78 2HB HIS 78 -14.344 21.559 -7.256 556 HD1 HIS 78 HD1 HIS 78 -15.808 23.075 -10.167 557 HD2 HIS 78 HD2 HIS 78 -12.339 20.926 -9.374 558 HE1 HIS 78 HE1 HIS 78 -14.247 23.587 -12.067 559 HE2 HIS 78 HE2 HIS 78 -12.099 22.418 -11.472 560 H HIS 79 H HIS 79 -14.624 18.015 -6.535 561 HA HIS 79 HA HIS 79 -16.482 18.803 -4.403 562 HB2 HIS 79 1HB HIS 79 -16.150 16.097 -5.627 563 HB3 HIS 79 2HB HIS 79 -16.538 16.222 -3.916 564 HD1 HIS 79 HD1 HIS 79 -18.160 15.801 -7.021 565 HD2 HIS 79 HD2 HIS 79 -18.948 18.078 -3.629 566 HE1 HIS 79 HE1 HIS 79 -20.613 16.346 -7.117 567 HE2 HIS 79 HE2 HIS 79 -21.088 17.638 -5.010 568 H HIS 80 H HIS 80 -15.622 18.961 -2.467 569 HA HIS 80 HA HIS 80 -13.528 17.419 -1.421 570 HB2 HIS 80 1HB HIS 80 -11.760 19.208 -1.317 571 HB3 HIS 80 2HB HIS 80 -12.028 18.550 -2.926 572 HD1 HIS 80 HD1 HIS 80 -12.614 20.178 -4.747 573 HD2 HIS 80 HD2 HIS 80 -12.860 21.859 -0.952 574 HE1 HIS 80 HE1 HIS 80 -13.002 22.636 -5.116 575 HE2 HIS 80 HE2 HIS 80 -13.078 23.643 -2.810 576 H HIS 81 H HIS 81 -12.991 18.070 0.762 577 HA HIS 81 HA HIS 81 -14.671 20.241 1.809 578 HB2 HIS 81 1HB HIS 81 -15.677 17.904 2.154 579 HB3 HIS 81 2HB HIS 81 -14.349 17.624 3.275 580 HD1 HIS 81 HD1 HIS 81 -17.740 18.668 3.261 581 HD2 HIS 81 HD2 HIS 81 -14.348 19.843 5.358 582 HE1 HIS 81 HE1 HIS 81 -18.588 19.897 5.288 583 HE2 HIS 81 HE2 HIS 81 -16.517 20.701 6.480 584 H HIS 82 H HIS 82 -12.765 21.485 1.859 585 HA HIS 82 HA HIS 82 -11.368 21.317 4.334 586 HB2 HIS 82 1HB HIS 82 -10.062 19.664 3.003 587 HB3 HIS 82 2HB HIS 82 -9.718 20.922 1.822 588 HD1 HIS 82 HD1 HIS 82 -7.660 22.264 2.220 589 HD2 HIS 82 HD2 HIS 82 -8.909 20.266 5.639 590 HE1 HIS 82 HE1 HIS 82 -5.865 22.671 3.928 591 HE2 HIS 82 HE2 HIS 82 -6.575 21.342 5.944 Start of MODEL 12 1 H2 MET 1 2H MET 1 3.566 -11.154 -8.626 2 H MET 1 1H MET 1 4.494 -10.066 -9.530 3 H3 MET 1 3H MET 1 5.184 -10.889 -8.225 4 HA MET 1 HA MET 1 4.726 -8.635 -7.609 5 HB2 MET 1 1HB MET 1 1.981 -9.357 -8.589 6 HB3 MET 1 2HB MET 1 2.193 -8.096 -7.383 7 HG2 MET 1 1HG MET 1 3.509 -8.124 -10.090 8 HG3 MET 1 2HG MET 1 2.041 -7.235 -9.688 9 HE1 MET 1 1HE MET 1 4.818 -6.037 -10.928 10 HE2 MET 1 2HE MET 1 4.921 -4.513 -10.048 11 HE3 MET 1 3HE MET 1 3.372 -5.056 -10.689 12 H ALA 2 H ALA 2 4.674 -8.358 -5.482 13 HA ALA 2 HA ALA 2 3.671 -10.569 -3.841 14 HB1 ALA 2 1HB ALA 2 6.000 -9.943 -3.474 15 HB2 ALA 2 2HB ALA 2 5.032 -9.573 -2.046 16 HB3 ALA 2 3HB ALA 2 5.516 -8.279 -3.144 17 H GLN 3 H GLN 3 2.655 -9.925 -1.757 18 HA GLN 3 HA GLN 3 1.145 -7.424 -1.966 19 HB2 GLN 3 1HB GLN 3 -0.030 -10.132 -1.329 20 HB3 GLN 3 2HB GLN 3 -0.890 -8.605 -1.208 21 HG2 GLN 3 1HG GLN 3 -0.702 -8.262 -3.581 22 HG3 GLN 3 2HG GLN 3 0.279 -9.718 -3.742 23 HE21 GLN 3 1HE2 GLN 3 -2.894 -8.448 -3.244 24 HE22 GLN 3 2HE2 GLN 3 -3.753 -9.923 -3.484 25 H GLY 4 H GLY 4 -0.014 -7.004 0.161 26 HA2 GLY 4 1HA GLY 4 0.643 -8.310 2.524 27 HA3 GLY 4 2HA GLY 4 1.876 -7.086 2.260 28 H THR 5 H THR 5 1.047 -6.268 4.277 29 HA THR 5 HA THR 5 -1.227 -4.452 3.822 30 HB THR 5 HB THR 5 -0.450 -5.617 6.503 31 HG1 THR 5 HG1 THR 5 -1.290 -7.327 5.355 32 HG21 THR 5 1HG2 THR 5 -2.633 -4.760 7.207 33 HG22 THR 5 2HG2 THR 5 -2.909 -4.127 5.583 34 HG23 THR 5 3HG2 THR 5 -1.611 -3.466 6.581 35 H VAL 6 H VAL 6 -0.542 -2.389 3.840 36 HA VAL 6 HA VAL 6 2.088 -1.713 4.577 37 HB VAL 6 HB VAL 6 1.283 -0.233 3.011 38 HG11 VAL 6 1HG1 VAL 6 -1.239 0.044 4.620 39 HG12 VAL 6 2HG1 VAL 6 -1.045 -0.834 3.102 40 HG13 VAL 6 3HG1 VAL 6 -0.875 0.921 3.136 41 HG21 VAL 6 1HG2 VAL 6 2.382 1.000 4.813 42 HG22 VAL 6 2HG2 VAL 6 0.822 1.223 5.611 43 HG23 VAL 6 3HG2 VAL 6 1.125 1.973 4.043 44 H LYS 7 H LYS 7 2.894 -1.680 6.460 45 HA LYS 7 HA LYS 7 1.431 -1.907 8.847 46 HB2 LYS 7 1HB LYS 7 3.725 -2.786 8.473 47 HB3 LYS 7 2HB LYS 7 4.322 -1.138 8.429 48 HG2 LYS 7 1HG LYS 7 4.787 -2.030 10.578 49 HG3 LYS 7 2HG LYS 7 3.506 -0.836 10.752 50 HD2 LYS 7 1HD LYS 7 3.011 -2.789 12.098 51 HD3 LYS 7 2HD LYS 7 1.843 -2.641 10.786 52 HE2 LYS 7 1HE LYS 7 3.015 -4.331 9.511 53 HE3 LYS 7 2HE LYS 7 4.266 -4.435 10.748 54 HZ1 LYS 7 1HZ LYS 7 2.701 -6.236 10.974 55 HZ2 LYS 7 2HZ LYS 7 1.405 -5.158 11.085 56 HZ3 LYS 7 3HZ LYS 7 2.571 -5.208 12.308 57 H TRP 8 H TRP 8 3.119 0.699 7.260 58 HA TRP 8 HA TRP 8 1.340 2.672 8.175 59 HB2 TRP 8 1HB TRP 8 2.873 4.020 9.551 60 HB3 TRP 8 2HB TRP 8 2.538 2.466 10.300 61 HD1 TRP 8 HD1 TRP 8 4.549 0.769 10.559 62 HE1 TRP 8 HE1 TRP 8 7.096 1.068 10.427 63 HE3 TRP 8 HE3 TRP 8 4.707 5.332 8.262 64 HZ2 TRP 8 HZ2 TRP 8 8.931 2.987 9.481 65 HZ3 TRP 8 HZ3 TRP 8 6.904 6.326 7.777 66 HH2 TRP 8 HH2 TRP 8 8.970 5.175 8.374 67 H PHE 9 H PHE 9 1.698 4.654 7.122 68 HA PHE 9 HA PHE 9 4.084 4.804 5.445 69 HB2 PHE 9 1HB PHE 9 2.248 3.880 4.058 70 HB3 PHE 9 2HB PHE 9 1.297 5.324 4.398 71 HD1 PHE 9 HD1 PHE 9 1.621 7.308 3.173 72 HD2 PHE 9 HD2 PHE 9 4.401 4.109 2.827 73 HE1 PHE 9 HE1 PHE 9 2.696 8.455 1.284 74 HE2 PHE 9 HE2 PHE 9 5.483 5.248 0.936 75 HZ PHE 9 HZ PHE 9 4.631 7.426 0.165 76 H ASN 10 H ASN 10 5.062 6.634 5.804 77 HA ASN 10 HA ASN 10 3.609 8.850 7.010 78 HB2 ASN 10 1HB ASN 10 5.820 8.093 7.911 79 HB3 ASN 10 2HB ASN 10 6.564 8.597 6.401 80 HD21 ASN 10 1HD2 ASN 10 6.899 9.491 9.209 81 HD22 ASN 10 2HD2 ASN 10 6.674 11.206 9.157 82 H ALA 11 H ALA 11 2.448 9.842 5.466 83 HA ALA 11 HA ALA 11 3.316 10.100 2.767 84 HB1 ALA 11 1HB ALA 11 0.954 9.914 3.376 85 HB2 ALA 11 2HB ALA 11 1.274 11.368 2.430 86 HB3 ALA 11 3HB ALA 11 1.042 11.484 4.174 87 H GLU 12 H GLU 12 3.853 11.946 5.585 88 HA GLU 12 HA GLU 12 4.256 14.490 4.369 89 HB2 GLU 12 1HB GLU 12 5.473 13.393 6.908 90 HB3 GLU 12 2HB GLU 12 5.392 15.086 6.448 91 HG2 GLU 12 1HG GLU 12 3.060 13.299 7.076 92 HG3 GLU 12 2HG GLU 12 3.727 14.556 8.115 93 H LYS 13 H LYS 13 6.327 11.796 5.263 94 HA LYS 13 HA LYS 13 8.678 13.110 4.173 95 HB2 LYS 13 1HB LYS 13 8.432 10.347 5.354 96 HB3 LYS 13 2HB LYS 13 9.914 11.251 5.082 97 HG2 LYS 13 1HG LYS 13 7.730 11.967 7.019 98 HG3 LYS 13 2HG LYS 13 9.288 11.254 7.426 99 HD2 LYS 13 1HD LYS 13 10.415 13.243 6.539 100 HD3 LYS 13 2HD LYS 13 8.845 13.951 6.162 101 HE2 LYS 13 1HE LYS 13 8.250 13.878 8.539 102 HE3 LYS 13 2HE LYS 13 9.833 13.196 8.909 103 HZ1 LYS 13 1HZ LYS 13 9.379 15.853 7.664 104 HZ2 LYS 13 2HZ LYS 13 10.871 15.209 8.128 105 HZ3 LYS 13 3HZ LYS 13 9.716 15.599 9.300 106 H GLY 14 H GLY 14 6.439 10.560 3.402 107 HA2 GLY 14 1HA GLY 14 5.940 9.964 1.170 108 HA3 GLY 14 2HA GLY 14 7.537 10.510 0.688 109 H PHE 15 H PHE 15 7.327 8.479 3.484 110 HA PHE 15 HA PHE 15 7.816 6.089 1.892 111 HB2 PHE 15 1HB PHE 15 9.896 5.535 2.891 112 HB3 PHE 15 2HB PHE 15 10.038 7.208 2.370 113 HD1 PHE 15 HD1 PHE 15 10.053 9.024 4.038 114 HD2 PHE 15 HD2 PHE 15 9.999 4.928 5.189 115 HE1 PHE 15 HE1 PHE 15 10.774 9.651 6.306 116 HE2 PHE 15 HE2 PHE 15 10.715 5.551 7.454 117 HZ PHE 15 HZ PHE 15 11.103 7.914 8.016 118 H GLY 16 H GLY 16 7.949 4.119 3.293 119 HA2 GLY 16 1HA GLY 16 6.961 4.220 5.963 120 HA3 GLY 16 2HA GLY 16 5.681 3.809 4.828 121 H PHE 17 H PHE 17 5.665 1.787 6.110 122 HA PHE 17 HA PHE 17 7.445 -0.134 4.798 123 HB2 PHE 17 1HB PHE 17 7.082 0.188 7.753 124 HB3 PHE 17 2HB PHE 17 7.375 -1.411 7.080 125 HD1 PHE 17 HD1 PHE 17 9.489 -1.948 6.023 126 HD2 PHE 17 HD2 PHE 17 8.805 1.863 7.775 127 HE1 PHE 17 HE1 PHE 17 11.908 -1.503 5.987 128 HE2 PHE 17 HE2 PHE 17 11.221 2.319 7.747 129 HZ PHE 17 HZ PHE 17 12.779 0.632 6.849 130 H ILE 18 H ILE 18 6.502 -1.937 4.167 131 HA ILE 18 HA ILE 18 3.698 -2.373 4.923 132 HB ILE 18 HB ILE 18 5.216 -3.260 2.469 133 HG12 ILE 18 1HG1 ILE 18 2.731 -1.584 2.582 134 HG13 ILE 18 2HG1 ILE 18 4.339 -0.876 2.649 135 HG21 ILE 18 1HG2 ILE 18 3.726 -5.042 3.140 136 HG22 ILE 18 2HG2 ILE 18 3.119 -4.251 1.683 137 HG23 ILE 18 3HG2 ILE 18 2.382 -3.902 3.248 138 HD11 ILE 18 1HD1 ILE 18 3.406 -0.829 0.395 139 HD12 ILE 18 2HD1 ILE 18 3.275 -2.589 0.418 140 HD13 ILE 18 3HD1 ILE 18 4.863 -1.819 0.478 141 H ALA 19 H ALA 19 3.052 -4.366 5.634 142 HA ALA 19 HA ALA 19 5.170 -6.287 6.279 143 HB1 ALA 19 1HB ALA 19 3.446 -7.350 7.704 144 HB2 ALA 19 2HB ALA 19 2.299 -6.104 7.208 145 HB3 ALA 19 3HB ALA 19 3.733 -5.665 8.135 146 HA PRO 20 HA PRO 20 3.695 -8.001 2.280 147 HB2 PRO 20 1HB PRO 20 5.967 -9.774 3.017 148 HB3 PRO 20 2HB PRO 20 5.580 -9.034 1.463 149 HG2 PRO 20 1HG PRO 20 7.530 -8.047 2.965 150 HG3 PRO 20 2HG PRO 20 6.431 -6.968 2.090 151 HD2 PRO 20 1HD PRO 20 6.512 -7.643 4.984 152 HD3 PRO 20 2HD PRO 20 6.108 -6.110 4.196 153 H ASP 21 H ASP 21 2.571 -9.788 1.776 154 HA ASP 21 HA ASP 21 1.452 -11.343 3.894 155 HB2 ASP 21 1HB ASP 21 0.203 -10.649 1.858 156 HB3 ASP 21 2HB ASP 21 1.230 -11.702 0.894 157 H ASP 22 H ASP 22 4.240 -11.538 2.100 158 HA ASP 22 HA ASP 22 4.534 -14.404 2.034 159 HB2 ASP 22 1HB ASP 22 5.457 -12.842 0.292 160 HB3 ASP 22 2HB ASP 22 6.613 -12.280 1.491 161 H GLY 23 H GLY 23 4.232 -12.887 4.619 162 HA2 GLY 23 1HA GLY 23 4.922 -13.877 6.689 163 HA3 GLY 23 2HA GLY 23 6.481 -14.215 5.962 164 H SER 24 H SER 24 5.230 -11.131 5.319 165 HA SER 24 HA SER 24 5.765 -9.035 5.956 166 HB2 SER 24 1HB SER 24 5.424 -8.599 8.392 167 HB3 SER 24 2HB SER 24 4.135 -9.526 7.630 168 HG SER 24 HG SER 24 6.052 -11.168 8.599 169 H ALA 25 H ALA 25 7.941 -9.079 5.135 170 HA ALA 25 HA ALA 25 10.035 -9.348 7.156 171 HB1 ALA 25 1HB ALA 25 10.273 -8.960 4.180 172 HB2 ALA 25 2HB ALA 25 10.364 -10.503 5.032 173 HB3 ALA 25 3HB ALA 25 11.602 -9.274 5.297 174 H ASP 26 H ASP 26 8.063 -7.022 6.669 175 HA ASP 26 HA ASP 26 7.989 -4.758 6.703 176 HB2 ASP 26 1HB ASP 26 10.803 -5.010 7.784 177 HB3 ASP 26 2HB ASP 26 9.813 -3.558 7.841 178 H VAL 27 H VAL 27 7.878 -4.598 4.433 179 HA VAL 27 HA VAL 27 10.377 -4.084 3.025 180 HB VAL 27 HB VAL 27 8.698 -5.550 1.970 181 HG11 VAL 27 1HG1 VAL 27 6.671 -4.574 0.997 182 HG12 VAL 27 2HG1 VAL 27 7.018 -3.065 1.843 183 HG13 VAL 27 3HG1 VAL 27 6.669 -4.533 2.761 184 HG21 VAL 27 1HG2 VAL 27 9.227 -2.985 0.496 185 HG22 VAL 27 2HG2 VAL 27 8.735 -4.510 -0.244 186 HG23 VAL 27 3HG2 VAL 27 10.292 -4.389 0.580 187 H PHE 28 H PHE 28 11.030 -2.154 2.346 188 HA PHE 28 HA PHE 28 9.885 0.158 3.610 189 HB2 PHE 28 1HB PHE 28 12.303 -0.165 3.499 190 HB3 PHE 28 2HB PHE 28 12.241 -0.167 1.743 191 HD1 PHE 28 HD1 PHE 28 12.223 1.849 0.511 192 HD2 PHE 28 HD2 PHE 28 11.838 1.923 4.747 193 HE1 PHE 28 HE1 PHE 28 12.588 4.281 0.496 194 HE2 PHE 28 HE2 PHE 28 12.204 4.355 4.740 195 HZ PHE 28 HZ PHE 28 12.579 5.537 2.614 196 H VAL 29 H VAL 29 8.427 1.484 2.752 197 HA VAL 29 HA VAL 29 7.841 1.248 -0.114 198 HB VAL 29 HB VAL 29 6.188 2.903 1.738 199 HG11 VAL 29 1HG1 VAL 29 4.380 2.168 0.266 200 HG12 VAL 29 2HG1 VAL 29 5.523 1.171 -0.632 201 HG13 VAL 29 3HG1 VAL 29 5.690 2.926 -0.637 202 HG21 VAL 29 1HG2 VAL 29 4.867 0.979 2.387 203 HG22 VAL 29 2HG2 VAL 29 6.532 0.819 2.952 204 HG23 VAL 29 3HG2 VAL 29 5.986 -0.091 1.541 205 H HIS 30 H HIS 30 7.738 3.037 -1.455 206 HA HIS 30 HA HIS 30 8.559 5.619 -0.361 207 HB2 HIS 30 1HB HIS 30 10.569 4.437 -1.256 208 HB3 HIS 30 2HB HIS 30 9.785 4.368 -2.829 209 HD1 HIS 30 HD1 HIS 30 10.741 6.043 -4.328 210 HD2 HIS 30 HD2 HIS 30 10.546 7.421 -0.404 211 HE1 HIS 30 HE1 HIS 30 11.662 8.391 -4.381 212 HE2 HIS 30 HE2 HIS 30 11.611 9.173 -1.984 213 H TYR 31 H TYR 31 7.426 7.255 -1.177 214 HA TYR 31 HA TYR 31 4.957 6.736 -2.297 215 HB2 TYR 31 1HB TYR 31 4.568 9.063 -2.262 216 HB3 TYR 31 2HB TYR 31 5.691 8.758 -0.945 217 HD1 TYR 31 HD1 TYR 31 8.161 9.243 -1.341 218 HD2 TYR 31 HD2 TYR 31 5.090 10.593 -3.956 219 HE1 TYR 31 HE1 TYR 31 9.694 10.927 -2.264 220 HE2 TYR 31 HE2 TYR 31 6.614 12.278 -4.890 221 HH TYR 31 HH TYR 31 9.926 12.211 -4.428 222 H SER 32 H SER 32 7.929 7.553 -3.948 223 HA SER 32 HA SER 32 6.764 8.410 -6.374 224 HB2 SER 32 1HB SER 32 9.503 7.194 -5.976 225 HB3 SER 32 2HB SER 32 8.994 8.279 -7.274 226 HG SER 32 HG SER 32 9.161 9.943 -5.975 227 H GLU 33 H GLU 33 7.300 5.300 -5.010 228 HA GLU 33 HA GLU 33 7.079 3.968 -7.595 229 HB2 GLU 33 1HB GLU 33 7.790 3.047 -4.829 230 HB3 GLU 33 2HB GLU 33 7.329 1.891 -6.067 231 HG2 GLU 33 1HG GLU 33 9.759 2.136 -5.853 232 HG3 GLU 33 2HG GLU 33 9.175 2.566 -7.456 233 H ILE 34 H ILE 34 5.090 5.078 -5.146 234 HA ILE 34 HA ILE 34 3.169 2.978 -5.102 235 HB ILE 34 HB ILE 34 2.894 5.867 -4.288 236 HG12 ILE 34 1HG1 ILE 34 3.369 3.363 -2.661 237 HG13 ILE 34 2HG1 ILE 34 4.545 4.636 -2.961 238 HG21 ILE 34 1HG2 ILE 34 0.893 5.145 -3.059 239 HG22 ILE 34 2HG2 ILE 34 1.057 3.534 -3.763 240 HG23 ILE 34 3HG2 ILE 34 0.717 4.919 -4.801 241 HD11 ILE 34 1HD1 ILE 34 3.134 6.214 -1.743 242 HD12 ILE 34 2HD1 ILE 34 3.594 4.834 -0.744 243 HD13 ILE 34 3HD1 ILE 34 1.972 4.926 -1.434 244 H GLN 35 H GLN 35 1.509 2.593 -6.344 245 HA GLN 35 HA GLN 35 0.942 4.442 -8.560 246 HB2 GLN 35 1HB GLN 35 0.395 1.473 -8.377 247 HB3 GLN 35 2HB GLN 35 0.169 2.491 -9.792 248 HG2 GLN 35 1HG GLN 35 2.799 1.880 -8.470 249 HG3 GLN 35 2HG GLN 35 2.195 1.144 -9.951 250 HE21 GLN 35 1HE2 GLN 35 4.597 2.745 -9.421 251 HE22 GLN 35 2HE2 GLN 35 4.528 4.063 -10.534 252 H GLY 36 H GLY 36 -0.566 5.702 -7.452 253 HA2 GLY 36 1HA GLY 36 -2.830 4.284 -6.218 254 HA3 GLY 36 2HA GLY 36 -2.328 5.923 -5.831 255 H ASN 37 H ASN 37 -4.563 6.466 -6.124 256 HA ASN 37 HA ASN 37 -5.467 6.503 -8.921 257 HB2 ASN 37 1HB ASN 37 -7.069 7.025 -6.403 258 HB3 ASN 37 2HB ASN 37 -7.708 6.904 -8.037 259 HD21 ASN 37 1HD2 ASN 37 -6.479 5.172 -5.303 260 HD22 ASN 37 2HD2 ASN 37 -6.911 3.588 -5.852 261 H GLY 38 H GLY 38 -3.457 8.249 -8.288 262 HA2 GLY 38 1HA GLY 38 -3.372 10.564 -9.063 263 HA3 GLY 38 2HA GLY 38 -4.858 10.849 -8.164 264 H PHE 39 H PHE 39 -3.970 9.265 -5.894 265 HA PHE 39 HA PHE 39 -1.958 11.091 -4.775 266 HB2 PHE 39 1HB PHE 39 -4.248 9.612 -3.502 267 HB3 PHE 39 2HB PHE 39 -2.901 10.212 -2.543 268 HD1 PHE 39 HD1 PHE 39 -5.654 11.240 -4.792 269 HD2 PHE 39 HD2 PHE 39 -2.763 12.461 -1.919 270 HE1 PHE 39 HE1 PHE 39 -6.741 13.440 -4.638 271 HE2 PHE 39 HE2 PHE 39 -3.845 14.664 -1.762 272 HZ PHE 39 HZ PHE 39 -5.837 15.157 -3.122 273 H ARG 40 H ARG 40 -0.018 10.222 -4.543 274 HA ARG 40 HA ARG 40 0.289 7.339 -4.483 275 HB2 ARG 40 1HB ARG 40 2.367 9.527 -4.375 276 HB3 ARG 40 2HB ARG 40 2.700 7.810 -4.539 277 HG2 ARG 40 1HG ARG 40 1.425 7.826 -6.668 278 HG3 ARG 40 2HG ARG 40 1.283 9.579 -6.516 279 HD2 ARG 40 1HD ARG 40 3.750 9.730 -6.469 280 HD3 ARG 40 2HD ARG 40 3.835 7.991 -6.736 281 HE ARG 40 HE ARG 40 2.776 9.956 -8.661 282 HH11 ARG 40 1HH1 ARG 40 4.078 6.791 -7.948 283 HH12 ARG 40 2HH1 ARG 40 4.397 6.410 -9.607 284 HH21 ARG 40 1HH2 ARG 40 3.167 9.441 -10.852 285 HH22 ARG 40 2HH2 ARG 40 3.879 7.911 -11.257 286 H THR 41 H THR 41 -1.005 7.427 -2.440 287 HA THR 41 HA THR 41 0.804 7.559 -0.142 288 HB THR 41 HB THR 41 -1.187 8.465 1.187 289 HG1 THR 41 HG1 THR 41 -2.585 8.146 -0.819 290 HG21 THR 41 1HG2 THR 41 0.794 9.803 0.728 291 HG22 THR 41 2HG2 THR 41 -0.658 10.797 0.607 292 HG23 THR 41 3HG2 THR 41 0.153 10.237 -0.857 293 H LEU 42 H LEU 42 0.200 6.222 1.616 294 HA LEU 42 HA LEU 42 -1.779 4.155 0.952 295 HB2 LEU 42 1HB LEU 42 0.973 3.831 2.127 296 HB3 LEU 42 2HB LEU 42 -0.248 2.578 2.209 297 HG LEU 42 HG LEU 42 0.890 3.722 -0.334 298 HD11 LEU 42 1HD1 LEU 42 1.371 1.050 0.964 299 HD12 LEU 42 2HD1 LEU 42 2.502 2.403 0.976 300 HD13 LEU 42 3HD1 LEU 42 2.067 1.632 -0.549 301 HD21 LEU 42 1HD2 LEU 42 -1.368 2.964 -0.676 302 HD22 LEU 42 2HD2 LEU 42 -1.032 1.458 0.179 303 HD23 LEU 42 3HD2 LEU 42 -0.258 1.784 -1.374 304 H GLU 43 H GLU 43 -2.872 3.225 2.677 305 HA GLU 43 HA GLU 43 -2.993 4.924 5.052 306 HB2 GLU 43 1HB GLU 43 -4.900 2.873 3.928 307 HB3 GLU 43 2HB GLU 43 -5.156 3.725 5.443 308 HG2 GLU 43 1HG GLU 43 -4.908 5.012 2.739 309 HG3 GLU 43 2HG GLU 43 -6.418 4.708 3.595 310 H GLU 44 H GLU 44 -2.601 4.157 7.062 311 HA GLU 44 HA GLU 44 -1.041 1.840 7.377 312 HB2 GLU 44 1HB GLU 44 -0.977 3.822 8.867 313 HB3 GLU 44 2HB GLU 44 -2.567 3.390 9.473 314 HG2 GLU 44 1HG GLU 44 -1.633 1.260 10.275 315 HG3 GLU 44 2HG GLU 44 -0.040 1.795 9.756 316 H ASN 45 H ASN 45 -1.552 -0.201 7.801 317 HA ASN 45 HA ASN 45 -2.712 -2.086 8.317 318 HB2 ASN 45 1HB ASN 45 -4.902 -0.210 9.216 319 HB3 ASN 45 2HB ASN 45 -4.951 -1.959 9.394 320 HD21 ASN 45 1HD2 ASN 45 -3.619 0.994 10.533 321 HD22 ASN 45 2HD2 ASN 45 -2.844 0.355 11.937 322 H GLN 46 H GLN 46 -2.894 -0.475 5.789 323 HA GLN 46 HA GLN 46 -5.378 -1.578 4.681 324 HB2 GLN 46 1HB GLN 46 -4.923 0.814 4.298 325 HB3 GLN 46 2HB GLN 46 -3.414 0.392 3.506 326 HG2 GLN 46 1HG GLN 46 -4.635 -0.767 1.758 327 HG3 GLN 46 2HG GLN 46 -6.156 -0.387 2.558 328 HE21 GLN 46 1HE2 GLN 46 -3.484 0.866 0.756 329 HE22 GLN 46 2HE2 GLN 46 -4.217 2.372 0.324 330 H LYS 47 H LYS 47 -5.323 -2.936 2.868 331 HA LYS 47 HA LYS 47 -2.947 -4.519 2.600 332 HB2 LYS 47 1HB LYS 47 -5.598 -4.581 1.169 333 HB3 LYS 47 2HB LYS 47 -4.282 -5.692 0.809 334 HG2 LYS 47 1HG LYS 47 -5.548 -5.389 3.518 335 HG3 LYS 47 2HG LYS 47 -6.010 -6.611 2.336 336 HD2 LYS 47 1HD LYS 47 -3.189 -6.301 3.332 337 HD3 LYS 47 2HD LYS 47 -4.373 -7.323 4.146 338 HE2 LYS 47 1HE LYS 47 -3.591 -7.598 1.248 339 HE3 LYS 47 2HE LYS 47 -2.882 -8.535 2.559 340 HZ1 LYS 47 1HZ LYS 47 -4.642 -9.753 1.448 341 HZ2 LYS 47 2HZ LYS 47 -5.752 -8.528 1.797 342 HZ3 LYS 47 3HZ LYS 47 -5.071 -9.431 3.054 343 H VAL 48 H VAL 48 -1.856 -4.905 0.579 344 HA VAL 48 HA VAL 48 -2.034 -2.899 -1.477 345 HB VAL 48 HB VAL 48 -0.892 -1.692 0.331 346 HG11 VAL 48 1HG1 VAL 48 1.320 -2.369 1.073 347 HG12 VAL 48 2HG1 VAL 48 1.214 -3.822 0.077 348 HG13 VAL 48 3HG1 VAL 48 0.114 -3.604 1.441 349 HG21 VAL 48 1HG2 VAL 48 -0.366 -1.096 -1.949 350 HG22 VAL 48 2HG2 VAL 48 0.877 -2.347 -2.014 351 HG23 VAL 48 3HG2 VAL 48 1.074 -0.962 -0.939 352 H GLU 49 H GLU 49 -0.720 -3.349 -3.262 353 HA GLU 49 HA GLU 49 0.650 -5.951 -3.245 354 HB2 GLU 49 1HB GLU 49 -1.478 -6.099 -4.426 355 HB3 GLU 49 2HB GLU 49 -1.052 -4.711 -5.410 356 HG2 GLU 49 1HG GLU 49 0.720 -5.955 -6.465 357 HG3 GLU 49 2HG GLU 49 0.408 -7.339 -5.414 358 H PHE 50 H PHE 50 2.654 -5.996 -4.242 359 HA PHE 50 HA PHE 50 3.693 -3.654 -5.578 360 HB2 PHE 50 1HB PHE 50 5.416 -3.258 -3.767 361 HB3 PHE 50 2HB PHE 50 3.772 -2.790 -3.348 362 HD1 PHE 50 HD1 PHE 50 6.558 -4.960 -2.551 363 HD2 PHE 50 HD2 PHE 50 2.428 -4.216 -1.831 364 HE1 PHE 50 HE1 PHE 50 6.643 -6.390 -0.554 365 HE2 PHE 50 HE2 PHE 50 2.513 -5.647 0.162 366 HZ PHE 50 HZ PHE 50 4.624 -6.734 0.805 367 H GLU 51 H GLU 51 6.036 -3.891 -6.050 368 HA GLU 51 HA GLU 51 6.840 -6.724 -6.099 369 HB2 GLU 51 1HB GLU 51 6.554 -5.674 -8.339 370 HB3 GLU 51 2HB GLU 51 7.784 -4.491 -7.910 371 HG2 GLU 51 1HG GLU 51 9.454 -6.210 -7.751 372 HG3 GLU 51 2HG GLU 51 8.243 -7.462 -8.008 373 H ILE 52 H ILE 52 8.469 -7.247 -4.816 374 HA ILE 52 HA ILE 52 9.687 -5.185 -3.243 375 HB ILE 52 HB ILE 52 10.109 -8.168 -3.193 376 HG12 ILE 52 1HG1 ILE 52 8.480 -6.355 -1.413 377 HG13 ILE 52 2HG1 ILE 52 7.817 -7.414 -2.649 378 HG21 ILE 52 1HG2 ILE 52 12.027 -6.974 -2.282 379 HG22 ILE 52 2HG2 ILE 52 11.125 -7.776 -0.996 380 HG23 ILE 52 3HG2 ILE 52 10.960 -6.037 -1.238 381 HD11 ILE 52 1HD1 ILE 52 8.656 -9.351 -1.429 382 HD12 ILE 52 2HD1 ILE 52 7.570 -8.374 -0.442 383 HD13 ILE 52 3HD1 ILE 52 9.313 -8.282 -0.190 384 H GLY 53 H GLY 53 11.393 -4.123 -3.799 385 HA2 GLY 53 1HA GLY 53 13.481 -5.449 -5.401 386 HA3 GLY 53 2HA GLY 53 13.236 -3.708 -5.307 387 H GLU 54 H GLU 54 15.353 -3.307 -4.625 388 HA GLU 54 HA GLU 54 15.876 -4.098 -1.844 389 HB2 GLU 54 1HB GLU 54 17.261 -5.389 -3.485 390 HB3 GLU 54 2HB GLU 54 17.967 -3.868 -4.008 391 HG2 GLU 54 1HG GLU 54 19.462 -4.948 -2.483 392 HG3 GLU 54 2HG GLU 54 18.799 -3.505 -1.717 393 H GLY 55 H GLY 55 16.321 -2.455 -0.537 394 HA2 GLY 55 1HA GLY 55 16.851 0.178 -1.760 395 HA3 GLY 55 2HA GLY 55 15.961 -0.061 -0.264 396 H ALA 56 H ALA 56 17.470 1.476 0.660 397 HA ALA 56 HA ALA 56 20.251 0.749 0.832 398 HB1 ALA 56 1HB ALA 56 20.496 2.766 2.156 399 HB2 ALA 56 2HB ALA 56 18.742 2.928 2.265 400 HB3 ALA 56 3HB ALA 56 19.549 3.093 0.705 401 H LYS 57 H LYS 57 17.423 0.564 2.904 402 HA LYS 57 HA LYS 57 19.071 -0.480 5.092 403 HB2 LYS 57 1HB LYS 57 16.196 0.444 5.053 404 HB3 LYS 57 2HB LYS 57 17.025 -0.185 6.469 405 HG2 LYS 57 1HG LYS 57 18.612 1.668 6.369 406 HG3 LYS 57 2HG LYS 57 17.783 2.296 4.942 407 HD2 LYS 57 1HD LYS 57 15.750 2.610 6.239 408 HD3 LYS 57 2HD LYS 57 16.533 1.918 7.661 409 HE2 LYS 57 1HE LYS 57 18.150 3.751 7.660 410 HE3 LYS 57 2HE LYS 57 17.379 4.439 6.233 411 HZ1 LYS 57 1HZ LYS 57 16.691 5.502 8.328 412 HZ2 LYS 57 2HZ LYS 57 16.027 4.034 8.844 413 HZ3 LYS 57 3HZ LYS 57 15.391 4.821 7.489 414 H GLY 58 H GLY 58 16.739 -1.410 2.733 415 HA2 GLY 58 1HA GLY 58 17.135 -4.145 3.013 416 HA3 GLY 58 2HA GLY 58 15.732 -3.734 3.992 417 HA PRO 59 HA PRO 59 14.309 -4.719 -0.352 418 HB2 PRO 59 1HB PRO 59 11.904 -5.696 0.601 419 HB3 PRO 59 2HB PRO 59 13.323 -6.681 0.251 420 HG2 PRO 59 1HG PRO 59 12.369 -5.587 2.860 421 HG3 PRO 59 2HG PRO 59 13.040 -7.186 2.496 422 HD2 PRO 59 1HD PRO 59 14.535 -5.317 3.664 423 HD3 PRO 59 2HD PRO 59 15.226 -6.385 2.425 424 H GLN 60 H GLN 60 12.980 -3.446 -1.553 425 HA GLN 60 HA GLN 60 11.381 -1.467 -0.073 426 HB2 GLN 60 1HB GLN 60 11.875 0.183 -1.763 427 HB3 GLN 60 2HB GLN 60 13.383 -0.467 -1.136 428 HG2 GLN 60 1HG GLN 60 13.747 -1.754 -3.086 429 HG3 GLN 60 2HG GLN 60 12.112 -1.449 -3.672 430 HE21 GLN 60 1HE2 GLN 60 15.302 -0.161 -3.288 431 HE22 GLN 60 2HE2 GLN 60 15.083 1.226 -4.297 432 H ALA 61 H ALA 61 9.392 -0.922 -0.857 433 HA ALA 61 HA ALA 61 8.167 -2.860 -2.621 434 HB1 ALA 61 1HB ALA 61 6.952 -0.483 -1.215 435 HB2 ALA 61 2HB ALA 61 7.007 -2.129 -0.584 436 HB3 ALA 61 3HB ALA 61 6.071 -1.772 -2.036 437 H GLN 62 H GLN 62 8.342 -2.608 -4.715 438 HA GLN 62 HA GLN 62 8.373 0.105 -5.859 439 HB2 GLN 62 1HB GLN 62 9.214 -2.529 -7.080 440 HB3 GLN 62 2HB GLN 62 9.359 -0.953 -7.842 441 HG2 GLN 62 1HG GLN 62 11.030 -0.263 -6.324 442 HG3 GLN 62 2HG GLN 62 10.723 -1.630 -5.256 443 HE21 GLN 62 1HE2 GLN 62 10.525 -3.555 -7.388 444 HE22 GLN 62 2HE2 GLN 62 12.125 -3.813 -7.979 445 H GLN 63 H GLN 63 6.912 0.622 -7.492 446 HA GLN 63 HA GLN 63 4.878 0.641 -8.501 447 HB2 GLN 63 1HB GLN 63 5.564 -2.284 -8.831 448 HB3 GLN 63 2HB GLN 63 4.173 -1.529 -9.585 449 HG2 GLN 63 1HG GLN 63 5.792 -1.590 -11.255 450 HG3 GLN 63 2HG GLN 63 5.822 0.071 -10.668 451 HE21 GLN 63 1HE2 GLN 63 7.646 0.844 -9.675 452 HE22 GLN 63 2HE2 GLN 63 9.131 -0.033 -9.609 453 H VAL 64 H VAL 64 4.281 1.047 -6.170 454 HA VAL 64 HA VAL 64 3.083 -1.191 -4.756 455 HB VAL 64 HB VAL 64 3.145 1.641 -3.772 456 HG11 VAL 64 1HG1 VAL 64 3.216 -1.034 -2.408 457 HG12 VAL 64 2HG1 VAL 64 1.879 0.114 -2.437 458 HG13 VAL 64 3HG1 VAL 64 3.370 0.516 -1.585 459 HG21 VAL 64 1HG2 VAL 64 5.394 1.201 -4.537 460 HG22 VAL 64 2HG2 VAL 64 5.414 -0.334 -3.668 461 HG23 VAL 64 3HG2 VAL 64 5.347 1.186 -2.773 462 H HIS 65 H HIS 65 1.103 -1.696 -5.407 463 HA HIS 65 HA HIS 65 -0.816 0.453 -6.016 464 HB2 HIS 65 1HB HIS 65 -0.380 -1.237 -7.790 465 HB3 HIS 65 2HB HIS 65 -0.934 -2.494 -6.697 466 HD1 HIS 65 HD1 HIS 65 -2.117 -0.017 -9.135 467 HD2 HIS 65 HD2 HIS 65 -3.755 -2.383 -6.139 468 HE1 HIS 65 HE1 HIS 65 -4.593 -0.030 -9.566 469 HE2 HIS 65 HE2 HIS 65 -5.530 -1.639 -7.868 470 H ALA 66 H ALA 66 -2.284 0.883 -4.511 471 HA ALA 66 HA ALA 66 -2.418 -0.598 -2.096 472 HB1 ALA 66 1HB ALA 66 -4.276 1.552 -3.097 473 HB2 ALA 66 2HB ALA 66 -2.774 1.825 -2.213 474 HB3 ALA 66 3HB ALA 66 -4.118 0.991 -1.430 475 H LEU 67 H LEU 67 -3.901 -2.011 -1.336 476 HA LEU 67 HA LEU 67 -5.755 -3.097 -3.334 477 HB2 LEU 67 1HB LEU 67 -4.533 -4.349 -0.886 478 HB3 LEU 67 2HB LEU 67 -5.744 -5.128 -1.879 479 HG LEU 67 HG LEU 67 -2.957 -4.362 -2.731 480 HD11 LEU 67 1HD1 LEU 67 -4.240 -7.062 -2.356 481 HD12 LEU 67 2HD1 LEU 67 -3.123 -6.302 -1.223 482 HD13 LEU 67 3HD1 LEU 67 -2.575 -6.742 -2.840 483 HD21 LEU 67 1HD2 LEU 67 -3.501 -5.525 -4.822 484 HD22 LEU 67 2HD2 LEU 67 -4.507 -4.098 -4.583 485 HD23 LEU 67 3HD2 LEU 67 -5.170 -5.703 -4.280 486 H GLY 68 H GLY 68 -7.718 -2.262 -3.086 487 HA2 GLY 68 1HA GLY 68 -8.829 -1.729 -0.463 488 HA3 GLY 68 2HA GLY 68 -9.658 -1.555 -2.008 489 H GLY 69 H GLY 69 -8.463 -4.381 -2.497 490 HA2 GLY 69 1HA GLY 69 -9.039 -6.497 -1.246 491 HA3 GLY 69 2HA GLY 69 -10.663 -5.827 -1.176 492 H GLU 70 H GLU 70 -11.642 -7.439 -2.365 493 HA GLU 70 HA GLU 70 -10.673 -7.924 -5.074 494 HB2 GLU 70 1HB GLU 70 -12.936 -9.185 -3.515 495 HB3 GLU 70 2HB GLU 70 -12.459 -9.651 -5.142 496 HG2 GLU 70 1HG GLU 70 -10.728 -9.834 -2.684 497 HG3 GLU 70 2HG GLU 70 -11.565 -11.176 -3.462 498 H ASN 71 H ASN 71 -12.864 -5.972 -3.411 499 HA ASN 71 HA ASN 71 -14.527 -5.491 -5.769 500 HB2 ASN 71 1HB ASN 71 -14.711 -4.436 -2.936 501 HB3 ASN 71 2HB ASN 71 -15.806 -3.979 -4.234 502 HD21 ASN 71 1HD2 ASN 71 -17.554 -4.761 -3.067 503 HD22 ASN 71 2HD2 ASN 71 -17.873 -6.454 -2.917 504 H LEU 72 H LEU 72 -13.650 -4.119 -7.198 505 HA LEU 72 HA LEU 72 -12.812 -1.505 -6.308 506 HB2 LEU 72 1HB LEU 72 -10.615 -1.533 -7.257 507 HB3 LEU 72 2HB LEU 72 -10.737 -2.859 -6.121 508 HG LEU 72 HG LEU 72 -11.122 -3.300 -9.073 509 HD11 LEU 72 1HD1 LEU 72 -8.757 -3.896 -9.207 510 HD12 LEU 72 2HD1 LEU 72 -8.526 -3.366 -7.541 511 HD13 LEU 72 3HD1 LEU 72 -8.968 -2.197 -8.785 512 HD21 LEU 72 1HD2 LEU 72 -11.818 -5.088 -7.538 513 HD22 LEU 72 2HD2 LEU 72 -10.199 -5.106 -6.836 514 HD23 LEU 72 3HD2 LEU 72 -10.435 -5.569 -8.521 515 H TYR 73 H TYR 73 -12.632 0.013 -8.015 516 HA TYR 73 HA TYR 73 -14.235 -0.657 -10.336 517 HB2 TYR 73 1HB TYR 73 -14.576 1.478 -9.114 518 HB3 TYR 73 2HB TYR 73 -12.941 1.965 -9.540 519 HD1 TYR 73 HD1 TYR 73 -12.645 3.299 -11.410 520 HD2 TYR 73 HD2 TYR 73 -16.113 0.847 -11.172 521 HE1 TYR 73 HE1 TYR 73 -13.489 4.297 -13.495 522 HE2 TYR 73 HE2 TYR 73 -16.964 1.838 -13.255 523 HH TYR 73 HH TYR 73 -16.680 3.935 -14.549 524 H PHE 74 H PHE 74 -13.526 -0.574 -12.453 525 HA PHE 74 HA PHE 74 -11.061 -1.671 -13.031 526 HB2 PHE 74 1HB PHE 74 -12.890 -0.068 -14.828 527 HB3 PHE 74 2HB PHE 74 -11.549 -1.057 -15.395 528 HD1 PHE 74 HD1 PHE 74 -11.590 -3.547 -14.738 529 HD2 PHE 74 HD2 PHE 74 -14.994 -1.002 -14.589 530 HE1 PHE 74 HE1 PHE 74 -13.059 -5.519 -14.808 531 HE2 PHE 74 HE2 PHE 74 -16.472 -2.968 -14.656 532 HZ PHE 74 HZ PHE 74 -15.505 -5.231 -14.766 533 H GLN 75 H GLN 75 -9.089 -0.932 -13.569 534 HA GLN 75 HA GLN 75 -8.414 1.673 -12.607 535 HB2 GLN 75 1HB GLN 75 -6.967 -0.272 -12.214 536 HB3 GLN 75 2HB GLN 75 -6.695 -0.424 -13.944 537 HG2 GLN 75 1HG GLN 75 -5.694 1.866 -13.903 538 HG3 GLN 75 2HG GLN 75 -5.807 1.816 -12.144 539 HE21 GLN 75 1HE2 GLN 75 -3.477 2.001 -13.894 540 HE22 GLN 75 2HE2 GLN 75 -2.462 0.660 -13.487 541 H GLY 76 H GLY 76 -7.973 3.480 -13.703 542 HA2 GLY 76 1HA GLY 76 -7.346 4.851 -15.454 543 HA3 GLY 76 2HA GLY 76 -7.112 3.420 -16.443 544 H HIS 77 H HIS 77 -8.089 4.877 -18.061 545 HA HIS 77 HA HIS 77 -11.026 4.887 -17.869 546 HB2 HIS 77 1HB HIS 77 -9.912 7.109 -18.088 547 HB3 HIS 77 2HB HIS 77 -9.248 6.591 -19.631 548 HD1 HIS 77 HD1 HIS 77 -10.547 7.375 -21.570 549 HD2 HIS 77 HD2 HIS 77 -12.928 6.951 -18.189 550 HE1 HIS 77 HE1 HIS 77 -12.833 8.171 -22.249 551 HE2 HIS 77 HE2 HIS 77 -14.284 7.794 -20.223 552 H HIS 78 H HIS 78 -10.321 2.504 -18.428 553 HA HIS 78 HA HIS 78 -10.344 0.762 -19.881 554 HB2 HIS 78 1HB HIS 78 -11.816 2.771 -21.594 555 HB3 HIS 78 2HB HIS 78 -11.694 1.056 -21.964 556 HD1 HIS 78 HD1 HIS 78 -13.993 3.324 -20.599 557 HD2 HIS 78 HD2 HIS 78 -12.714 -0.474 -19.498 558 HE1 HIS 78 HE1 HIS 78 -15.801 2.403 -19.116 559 HE2 HIS 78 HE2 HIS 78 -14.920 0.185 -18.321 560 H HIS 79 H HIS 79 -7.957 2.152 -19.860 561 HA HIS 79 HA HIS 79 -7.170 2.734 -22.583 562 HB2 HIS 79 1HB HIS 79 -6.334 3.988 -20.540 563 HB3 HIS 79 2HB HIS 79 -5.379 2.563 -20.158 564 HD1 HIS 79 HD1 HIS 79 -5.597 5.411 -22.581 565 HD2 HIS 79 HD2 HIS 79 -3.098 2.199 -21.733 566 HE1 HIS 79 HE1 HIS 79 -3.490 5.828 -23.886 567 HE2 HIS 79 HE2 HIS 79 -2.052 3.804 -23.469 568 H HIS 80 H HIS 80 -6.764 0.184 -20.221 569 HA HIS 80 HA HIS 80 -4.935 -1.303 -21.906 570 HB2 HIS 80 1HB HIS 80 -6.315 -2.066 -19.323 571 HB3 HIS 80 2HB HIS 80 -5.111 -3.049 -20.147 572 HD1 HIS 80 HD1 HIS 80 -5.341 -0.900 -17.390 573 HD2 HIS 80 HD2 HIS 80 -2.596 -1.284 -20.487 574 HE1 HIS 80 HE1 HIS 80 -3.225 0.170 -16.554 575 HE2 HIS 80 HE2 HIS 80 -1.634 0.071 -18.502 576 H HIS 81 H HIS 81 -6.056 -1.754 -23.787 577 HA HIS 81 HA HIS 81 -8.100 -3.814 -23.561 578 HB2 HIS 81 1HB HIS 81 -9.668 -2.675 -25.066 579 HB3 HIS 81 2HB HIS 81 -9.418 -1.739 -23.599 580 HD1 HIS 81 HD1 HIS 81 -8.823 0.661 -23.913 581 HD2 HIS 81 HD2 HIS 81 -8.181 -1.578 -27.359 582 HE1 HIS 81 HE1 HIS 81 -8.192 2.318 -25.691 583 HE2 HIS 81 HE2 HIS 81 -7.693 0.933 -27.736 584 H HIS 82 H HIS 82 -8.659 -4.709 -25.754 585 HA HIS 82 HA HIS 82 -6.238 -4.756 -27.412 586 HB2 HIS 82 1HB HIS 82 -8.553 -6.696 -27.236 587 HB3 HIS 82 2HB HIS 82 -7.219 -6.846 -28.374 588 HD1 HIS 82 HD1 HIS 82 -8.264 -8.025 -25.178 589 HD2 HIS 82 HD2 HIS 82 -4.617 -6.960 -26.856 590 HE1 HIS 82 HE1 HIS 82 -6.516 -9.072 -23.711 591 HE2 HIS 82 HE2 HIS 82 -4.321 -8.261 -24.642 Start of MODEL 13 1 H2 MET 1 2H MET 1 6.444 -11.032 -8.137 2 H MET 1 1H MET 1 7.098 -9.622 -8.808 3 H3 MET 1 3H MET 1 7.572 -10.127 -7.265 4 HA MET 1 HA MET 1 6.061 -8.288 -7.105 5 HB2 MET 1 1HB MET 1 3.749 -8.510 -7.849 6 HB3 MET 1 2HB MET 1 4.849 -8.676 -9.207 7 HG2 MET 1 1HG MET 1 4.548 -11.054 -9.235 8 HG3 MET 1 2HG MET 1 3.590 -10.992 -7.757 9 HE1 MET 1 1HE MET 1 1.760 -8.378 -8.300 10 HE2 MET 1 2HE MET 1 1.228 -9.896 -7.576 11 HE3 MET 1 3HE MET 1 0.335 -9.203 -8.927 12 H ALA 2 H ALA 2 4.862 -8.108 -5.251 13 HA ALA 2 HA ALA 2 4.081 -10.570 -3.862 14 HB1 ALA 2 1HB ALA 2 6.329 -10.035 -3.071 15 HB2 ALA 2 2HB ALA 2 5.140 -9.770 -1.795 16 HB3 ALA 2 3HB ALA 2 5.811 -8.397 -2.677 17 H GLN 3 H GLN 3 2.851 -9.953 -1.810 18 HA GLN 3 HA GLN 3 1.460 -7.398 -2.068 19 HB2 GLN 3 1HB GLN 3 0.090 -10.084 -1.920 20 HB3 GLN 3 2HB GLN 3 -0.723 -8.554 -1.633 21 HG2 GLN 3 1HG GLN 3 -0.221 -7.848 -3.900 22 HG3 GLN 3 2HG GLN 3 0.628 -9.364 -4.192 23 HE21 GLN 3 1HE2 GLN 3 -1.665 -8.253 -5.578 24 HE22 GLN 3 2HE2 GLN 3 -2.931 -9.417 -5.423 25 H GLY 4 H GLY 4 0.115 -6.967 -0.121 26 HA2 GLY 4 1HA GLY 4 0.384 -8.417 2.253 27 HA3 GLY 4 2HA GLY 4 1.704 -7.263 2.176 28 H THR 5 H THR 5 1.019 -6.089 3.885 29 HA THR 5 HA THR 5 -1.255 -4.317 3.348 30 HB THR 5 HB THR 5 -0.755 -5.506 6.076 31 HG1 THR 5 HG1 THR 5 -2.101 -7.118 5.607 32 HG21 THR 5 1HG2 THR 5 -3.017 -4.700 6.535 33 HG22 THR 5 2HG2 THR 5 -3.136 -4.083 4.886 34 HG23 THR 5 3HG2 THR 5 -1.969 -3.381 6.010 35 H VAL 6 H VAL 6 -0.516 -2.285 3.463 36 HA VAL 6 HA VAL 6 2.036 -1.671 4.504 37 HB VAL 6 HB VAL 6 1.429 -0.183 2.845 38 HG11 VAL 6 1HG1 VAL 6 -1.233 0.157 4.190 39 HG12 VAL 6 2HG1 VAL 6 -0.910 -0.744 2.707 40 HG13 VAL 6 3HG1 VAL 6 -0.706 1.006 2.740 41 HG21 VAL 6 1HG2 VAL 6 2.362 1.040 4.734 42 HG22 VAL 6 2HG2 VAL 6 0.740 1.273 5.393 43 HG23 VAL 6 3HG2 VAL 6 1.187 2.028 3.863 44 H LYS 7 H LYS 7 2.601 -1.635 6.516 45 HA LYS 7 HA LYS 7 0.689 -1.788 8.610 46 HB2 LYS 7 1HB LYS 7 2.617 -1.908 10.101 47 HB3 LYS 7 2HB LYS 7 2.822 -2.980 8.725 48 HG2 LYS 7 1HG LYS 7 4.387 -1.529 7.716 49 HG3 LYS 7 2HG LYS 7 4.026 -0.238 8.860 50 HD2 LYS 7 1HD LYS 7 6.110 -1.269 9.469 51 HD3 LYS 7 2HD LYS 7 4.893 -1.670 10.681 52 HE2 LYS 7 1HE LYS 7 4.566 -3.851 9.625 53 HE3 LYS 7 2HE LYS 7 5.781 -3.448 8.414 54 HZ1 LYS 7 1HZ LYS 7 6.799 -4.782 10.077 55 HZ2 LYS 7 2HZ LYS 7 6.207 -3.800 11.328 56 HZ3 LYS 7 3HZ LYS 7 7.384 -3.202 10.275 57 H TRP 8 H TRP 8 2.671 0.707 7.244 58 HA TRP 8 HA TRP 8 0.925 2.730 8.112 59 HB2 TRP 8 1HB TRP 8 2.390 4.024 9.574 60 HB3 TRP 8 2HB TRP 8 2.071 2.447 10.278 61 HD1 TRP 8 HD1 TRP 8 4.115 0.835 10.642 62 HE1 TRP 8 HE1 TRP 8 6.662 1.176 10.530 63 HE3 TRP 8 HE3 TRP 8 4.231 5.346 8.239 64 HZ2 TRP 8 HZ2 TRP 8 8.476 3.101 9.564 65 HZ3 TRP 8 HZ3 TRP 8 6.416 6.366 7.760 66 HH2 TRP 8 HH2 TRP 8 8.491 5.263 8.409 67 H PHE 9 H PHE 9 1.370 4.704 7.086 68 HA PHE 9 HA PHE 9 3.813 4.826 5.503 69 HB2 PHE 9 1HB PHE 9 2.049 3.844 4.052 70 HB3 PHE 9 2HB PHE 9 1.086 5.298 4.290 71 HD1 PHE 9 HD1 PHE 9 4.156 3.940 2.812 72 HD2 PHE 9 HD2 PHE 9 1.589 7.318 3.119 73 HE1 PHE 9 HE1 PHE 9 5.334 4.999 0.932 74 HE2 PHE 9 HE2 PHE 9 2.761 8.382 1.236 75 HZ PHE 9 HZ PHE 9 4.637 7.224 0.141 76 H ASN 10 H ASN 10 4.734 6.703 5.734 77 HA ASN 10 HA ASN 10 3.272 8.918 6.905 78 HB2 ASN 10 1HB ASN 10 5.569 8.279 7.672 79 HB3 ASN 10 2HB ASN 10 6.182 8.747 6.094 80 HD21 ASN 10 1HD2 ASN 10 6.702 9.759 8.817 81 HD22 ASN 10 2HD2 ASN 10 6.398 11.461 8.732 82 H ALA 11 H ALA 11 2.026 9.943 5.480 83 HA ALA 11 HA ALA 11 2.585 10.017 2.685 84 HB1 ALA 11 1HB ALA 11 0.548 11.344 2.516 85 HB2 ALA 11 2HB ALA 11 0.515 11.526 4.272 86 HB3 ALA 11 3HB ALA 11 0.304 9.932 3.547 87 H GLU 12 H GLU 12 3.357 12.062 5.334 88 HA GLU 12 HA GLU 12 3.639 14.491 3.851 89 HB2 GLU 12 1HB GLU 12 4.906 13.756 6.492 90 HB3 GLU 12 2HB GLU 12 4.675 15.377 5.851 91 HG2 GLU 12 1HG GLU 12 2.249 15.067 5.989 92 HG3 GLU 12 2HG GLU 12 2.510 13.470 6.686 93 H LYS 13 H LYS 13 5.810 12.009 5.066 94 HA LYS 13 HA LYS 13 8.117 13.290 3.876 95 HB2 LYS 13 1HB LYS 13 7.889 10.642 5.298 96 HB3 LYS 13 2HB LYS 13 9.382 11.469 4.883 97 HG2 LYS 13 1HG LYS 13 7.285 12.494 6.774 98 HG3 LYS 13 2HG LYS 13 8.801 11.724 7.239 99 HD2 LYS 13 1HD LYS 13 10.030 13.523 6.090 100 HD3 LYS 13 2HD LYS 13 8.494 14.300 5.710 101 HE2 LYS 13 1HE LYS 13 8.011 14.541 8.080 102 HE3 LYS 13 2HE LYS 13 9.521 13.725 8.484 103 HZ1 LYS 13 1HZ LYS 13 10.729 15.524 7.407 104 HZ2 LYS 13 2HZ LYS 13 9.754 16.116 8.651 105 HZ3 LYS 13 3HZ LYS 13 9.278 16.309 7.040 106 H GLY 14 H GLY 14 5.976 10.623 3.278 107 HA2 GLY 14 1HA GLY 14 5.527 9.750 1.153 108 HA3 GLY 14 2HA GLY 14 7.036 10.432 0.573 109 H PHE 15 H PHE 15 6.829 8.458 3.476 110 HA PHE 15 HA PHE 15 7.629 6.092 2.002 111 HB2 PHE 15 1HB PHE 15 9.669 5.695 3.193 112 HB3 PHE 15 2HB PHE 15 9.755 7.308 2.506 113 HD1 PHE 15 HD1 PHE 15 9.861 9.253 3.915 114 HD2 PHE 15 HD2 PHE 15 9.443 5.368 5.603 115 HE1 PHE 15 HE1 PHE 15 10.467 10.147 6.127 116 HE2 PHE 15 HE2 PHE 15 10.044 6.261 7.814 117 HZ PHE 15 HZ PHE 15 10.556 8.652 8.078 118 H GLY 16 H GLY 16 7.766 4.160 3.429 119 HA2 GLY 16 1HA GLY 16 6.640 4.221 6.039 120 HA3 GLY 16 2HA GLY 16 5.411 3.813 4.849 121 H PHE 17 H PHE 17 5.299 1.770 6.021 122 HA PHE 17 HA PHE 17 7.213 -0.132 4.876 123 HB2 PHE 17 1HB PHE 17 6.616 0.234 7.778 124 HB3 PHE 17 2HB PHE 17 6.903 -1.393 7.173 125 HD1 PHE 17 HD1 PHE 17 8.391 1.836 7.929 126 HD2 PHE 17 HD2 PHE 17 9.074 -2.023 6.284 127 HE1 PHE 17 HE1 PHE 17 10.817 2.199 8.105 128 HE2 PHE 17 HE2 PHE 17 11.502 -1.670 6.451 129 HZ PHE 17 HZ PHE 17 12.378 0.443 7.365 130 H ILE 18 H ILE 18 6.400 -2.110 4.396 131 HA ILE 18 HA ILE 18 3.526 -2.518 4.868 132 HB ILE 18 HB ILE 18 5.211 -3.395 2.524 133 HG12 ILE 18 1HG1 ILE 18 2.727 -1.703 2.500 134 HG13 ILE 18 2HG1 ILE 18 4.342 -1.015 2.614 135 HG21 ILE 18 1HG2 ILE 18 3.694 -5.182 3.088 136 HG22 ILE 18 2HG2 ILE 18 3.162 -4.385 1.605 137 HG23 ILE 18 3HG2 ILE 18 2.340 -4.052 3.132 138 HD11 ILE 18 1HD1 ILE 18 3.516 -0.970 0.332 139 HD12 ILE 18 2HD1 ILE 18 3.302 -2.721 0.364 140 HD13 ILE 18 3HD1 ILE 18 4.922 -2.028 0.473 141 H ALA 19 H ALA 19 2.861 -4.444 5.644 142 HA ALA 19 HA ALA 19 4.918 -6.437 6.283 143 HB1 ALA 19 1HB ALA 19 3.482 -5.698 8.140 144 HB2 ALA 19 2HB ALA 19 3.258 -7.412 7.785 145 HB3 ALA 19 3HB ALA 19 2.061 -6.235 7.244 146 HA PRO 20 HA PRO 20 3.306 -8.137 2.360 147 HB2 PRO 20 1HB PRO 20 5.596 -9.936 2.935 148 HB3 PRO 20 2HB PRO 20 5.173 -9.094 1.440 149 HG2 PRO 20 1HG PRO 20 7.178 -8.217 2.928 150 HG3 PRO 20 2HG PRO 20 6.051 -7.070 2.184 151 HD2 PRO 20 1HD PRO 20 6.177 -8.038 5.011 152 HD3 PRO 20 2HD PRO 20 5.886 -6.398 4.395 153 H ASP 21 H ASP 21 2.040 -9.846 1.949 154 HA ASP 21 HA ASP 21 1.303 -11.648 4.061 155 HB2 ASP 21 1HB ASP 21 -0.326 -10.843 2.374 156 HB3 ASP 21 2HB ASP 21 0.574 -11.685 1.120 157 H ASP 22 H ASP 22 3.713 -11.460 1.799 158 HA ASP 22 HA ASP 22 4.197 -14.212 1.243 159 HB2 ASP 22 1HB ASP 22 5.876 -11.730 0.920 160 HB3 ASP 22 2HB ASP 22 6.407 -13.327 0.408 161 H GLY 23 H GLY 23 4.053 -13.364 4.124 162 HA2 GLY 23 1HA GLY 23 5.087 -14.627 5.872 163 HA3 GLY 23 2HA GLY 23 6.571 -14.638 4.936 164 H SER 24 H SER 24 4.843 -11.703 5.134 165 HA SER 24 HA SER 24 5.209 -9.713 6.120 166 HB2 SER 24 1HB SER 24 5.898 -11.483 8.467 167 HB3 SER 24 2HB SER 24 5.532 -9.760 8.564 168 HG SER 24 HG SER 24 3.698 -11.420 7.258 169 H ALA 25 H ALA 25 7.352 -10.446 4.558 170 HA ALA 25 HA ALA 25 9.769 -9.756 5.959 171 HB1 ALA 25 1HB ALA 25 9.865 -11.139 3.938 172 HB2 ALA 25 2HB ALA 25 10.785 -9.649 3.734 173 HB3 ALA 25 3HB ALA 25 9.192 -9.809 2.995 174 H ASP 26 H ASP 26 9.010 -7.881 7.012 175 HA ASP 26 HA ASP 26 7.592 -5.766 6.155 176 HB2 ASP 26 1HB ASP 26 10.076 -5.487 7.851 177 HB3 ASP 26 2HB ASP 26 8.708 -4.380 7.805 178 H VAL 27 H VAL 27 7.699 -4.667 4.379 179 HA VAL 27 HA VAL 27 10.322 -4.143 3.178 180 HB VAL 27 HB VAL 27 8.824 -5.544 1.844 181 HG11 VAL 27 1HG1 VAL 27 6.978 -3.175 1.879 182 HG12 VAL 27 2HG1 VAL 27 6.689 -4.746 2.634 183 HG13 VAL 27 3HG1 VAL 27 6.778 -4.612 0.877 184 HG21 VAL 27 1HG2 VAL 27 8.902 -4.282 -0.239 185 HG22 VAL 27 2HG2 VAL 27 10.392 -4.102 0.686 186 HG23 VAL 27 3HG2 VAL 27 9.202 -2.802 0.672 187 H PHE 28 H PHE 28 10.905 -2.132 2.546 188 HA PHE 28 HA PHE 28 9.560 0.065 3.858 189 HB2 PHE 28 1HB PHE 28 12.020 -0.184 3.905 190 HB3 PHE 28 2HB PHE 28 12.061 -0.003 2.156 191 HD1 PHE 28 HD1 PHE 28 11.546 1.714 5.345 192 HD2 PHE 28 HD2 PHE 28 11.812 2.148 1.121 193 HE1 PHE 28 HE1 PHE 28 11.770 4.148 5.615 194 HE2 PHE 28 HE2 PHE 28 12.033 4.584 1.383 195 HZ PHE 28 HZ PHE 28 12.014 5.586 3.632 196 H VAL 29 H VAL 29 8.272 1.524 2.904 197 HA VAL 29 HA VAL 29 7.894 1.292 -0.008 198 HB VAL 29 HB VAL 29 6.011 2.858 1.679 199 HG11 VAL 29 1HG1 VAL 29 5.731 2.782 -0.736 200 HG12 VAL 29 2HG1 VAL 29 4.378 2.003 0.082 201 HG13 VAL 29 3HG1 VAL 29 5.631 1.023 -0.675 202 HG21 VAL 29 1HG2 VAL 29 5.978 -0.147 1.562 203 HG22 VAL 29 2HG2 VAL 29 4.733 0.884 2.270 204 HG23 VAL 29 3HG2 VAL 29 6.344 0.832 2.984 205 H HIS 30 H HIS 30 7.836 3.125 -1.296 206 HA HIS 30 HA HIS 30 8.435 5.700 -0.068 207 HB2 HIS 30 1HB HIS 30 10.594 4.580 -0.697 208 HB3 HIS 30 2HB HIS 30 10.045 4.576 -2.369 209 HD1 HIS 30 HD1 HIS 30 10.999 6.421 -3.671 210 HD2 HIS 30 HD2 HIS 30 10.537 7.441 0.331 211 HE1 HIS 30 HE1 HIS 30 11.912 8.754 -3.457 212 HE2 HIS 30 HE2 HIS 30 11.832 9.248 -0.991 213 H TYR 31 H TYR 31 7.495 7.363 -1.099 214 HA TYR 31 HA TYR 31 5.128 6.826 -2.375 215 HB2 TYR 31 1HB TYR 31 4.840 9.188 -2.642 216 HB3 TYR 31 2HB TYR 31 5.672 8.899 -1.121 217 HD1 TYR 31 HD1 TYR 31 5.847 10.445 -4.387 218 HD2 TYR 31 HD2 TYR 31 8.108 9.404 -0.940 219 HE1 TYR 31 HE1 TYR 31 7.608 12.011 -5.077 220 HE2 TYR 31 HE2 TYR 31 9.874 10.969 -1.618 221 HH TYR 31 HH TYR 31 9.433 13.297 -4.049 222 H SER 32 H SER 32 8.206 7.570 -3.923 223 HA SER 32 HA SER 32 7.089 8.213 -6.452 224 HB2 SER 32 1HB SER 32 9.472 7.836 -7.245 225 HB3 SER 32 2HB SER 32 9.276 9.030 -5.961 226 HG SER 32 HG SER 32 10.223 6.363 -5.771 227 H GLU 33 H GLU 33 7.649 5.275 -4.819 228 HA GLU 33 HA GLU 33 7.744 3.687 -7.247 229 HB2 GLU 33 1HB GLU 33 7.988 3.071 -4.321 230 HB3 GLU 33 2HB GLU 33 7.709 1.788 -5.485 231 HG2 GLU 33 1HG GLU 33 10.063 1.980 -4.965 232 HG3 GLU 33 2HG GLU 33 9.767 2.389 -6.651 233 H ILE 34 H ILE 34 5.471 4.936 -5.073 234 HA ILE 34 HA ILE 34 3.495 2.888 -5.347 235 HB ILE 34 HB ILE 34 3.176 5.745 -4.428 236 HG12 ILE 34 1HG1 ILE 34 3.529 3.209 -2.819 237 HG13 ILE 34 2HG1 ILE 34 4.753 4.453 -3.043 238 HG21 ILE 34 1HG2 ILE 34 1.347 3.369 -4.105 239 HG22 ILE 34 2HG2 ILE 34 1.063 4.773 -5.136 240 HG23 ILE 34 3HG2 ILE 34 1.102 4.959 -3.381 241 HD11 ILE 34 1HD1 ILE 34 3.361 6.058 -1.879 242 HD12 ILE 34 2HD1 ILE 34 3.640 4.630 -0.878 243 HD13 ILE 34 3HD1 ILE 34 2.094 4.848 -1.700 244 H GLN 35 H GLN 35 1.923 2.701 -6.782 245 HA GLN 35 HA GLN 35 1.718 4.756 -8.885 246 HB2 GLN 35 1HB GLN 35 1.032 1.829 -9.120 247 HB3 GLN 35 2HB GLN 35 1.148 3.000 -10.421 248 HG2 GLN 35 1HG GLN 35 3.448 2.075 -8.724 249 HG3 GLN 35 2HG GLN 35 3.063 1.460 -10.328 250 HE21 GLN 35 1HE2 GLN 35 5.449 2.818 -9.332 251 HE22 GLN 35 2HE2 GLN 35 5.663 4.198 -10.350 252 H GLY 36 H GLY 36 0.065 5.940 -7.881 253 HA2 GLY 36 1HA GLY 36 -2.358 4.414 -7.168 254 HA3 GLY 36 2HA GLY 36 -1.859 5.900 -6.378 255 H ASN 37 H ASN 37 -3.987 6.656 -6.800 256 HA ASN 37 HA ASN 37 -4.805 7.075 -9.559 257 HB2 ASN 37 1HB ASN 37 -6.895 7.907 -8.573 258 HB3 ASN 37 2HB ASN 37 -6.468 6.335 -7.907 259 HD21 ASN 37 1HD2 ASN 37 -8.182 8.419 -6.812 260 HD22 ASN 37 2HD2 ASN 37 -7.519 8.829 -5.269 261 H GLY 38 H GLY 38 -2.485 8.455 -8.968 262 HA2 GLY 38 1HA GLY 38 -1.818 10.674 -9.511 263 HA3 GLY 38 2HA GLY 38 -3.397 11.248 -8.983 264 H PHE 39 H PHE 39 -3.164 9.451 -6.603 265 HA PHE 39 HA PHE 39 -1.344 11.113 -5.012 266 HB2 PHE 39 1HB PHE 39 -3.717 9.434 -4.184 267 HB3 PHE 39 2HB PHE 39 -2.640 10.241 -3.052 268 HD1 PHE 39 HD1 PHE 39 -2.620 12.678 -2.882 269 HD2 PHE 39 HD2 PHE 39 -5.364 10.647 -5.420 270 HE1 PHE 39 HE1 PHE 39 -3.978 14.719 -3.039 271 HE2 PHE 39 HE2 PHE 39 -6.727 12.685 -5.585 272 HZ PHE 39 HZ PHE 39 -6.034 14.727 -4.393 273 H ARG 40 H ARG 40 0.572 10.174 -4.837 274 HA ARG 40 HA ARG 40 0.806 7.284 -4.819 275 HB2 ARG 40 1HB ARG 40 2.933 9.418 -4.603 276 HB3 ARG 40 2HB ARG 40 3.224 7.699 -4.815 277 HG2 ARG 40 1HG ARG 40 1.978 7.823 -6.965 278 HG3 ARG 40 2HG ARG 40 1.912 9.574 -6.761 279 HD2 ARG 40 1HD ARG 40 4.387 9.603 -6.665 280 HD3 ARG 40 2HD ARG 40 4.387 7.874 -7.005 281 HE ARG 40 HE ARG 40 3.384 9.941 -8.861 282 HH11 ARG 40 1HH1 ARG 40 4.772 6.779 -8.268 283 HH12 ARG 40 2HH1 ARG 40 5.138 6.487 -9.938 284 HH21 ARG 40 1HH2 ARG 40 3.845 9.551 -11.055 285 HH22 ARG 40 2HH2 ARG 40 4.593 8.059 -11.530 286 H THR 41 H THR 41 -0.572 7.449 -2.805 287 HA THR 41 HA THR 41 1.178 7.510 -0.456 288 HB THR 41 HB THR 41 -0.866 8.464 0.790 289 HG1 THR 41 HG1 THR 41 -2.359 8.304 -0.945 290 HG21 THR 41 1HG2 THR 41 0.677 10.192 -1.146 291 HG22 THR 41 2HG2 THR 41 1.197 9.717 0.472 292 HG23 THR 41 3HG2 THR 41 -0.201 10.775 0.269 293 H LEU 42 H LEU 42 0.302 6.342 1.377 294 HA LEU 42 HA LEU 42 -1.681 4.300 0.671 295 HB2 LEU 42 1HB LEU 42 1.007 3.875 1.968 296 HB3 LEU 42 2HB LEU 42 -0.272 2.680 1.991 297 HG LEU 42 HG LEU 42 1.067 3.743 -0.487 298 HD11 LEU 42 1HD1 LEU 42 2.150 1.604 -0.626 299 HD12 LEU 42 2HD1 LEU 42 1.325 1.051 0.828 300 HD13 LEU 42 3HD1 LEU 42 2.521 2.342 0.931 301 HD21 LEU 42 1HD2 LEU 42 -0.107 1.853 -1.591 302 HD22 LEU 42 2HD2 LEU 42 -1.195 3.100 -0.981 303 HD23 LEU 42 3HD2 LEU 42 -1.003 1.586 -0.092 304 H GLU 43 H GLU 43 -2.609 3.243 2.551 305 HA GLU 43 HA GLU 43 -2.761 5.093 4.835 306 HB2 GLU 43 1HB GLU 43 -4.788 3.125 3.770 307 HB3 GLU 43 2HB GLU 43 -4.999 4.081 5.228 308 HG2 GLU 43 1HG GLU 43 -4.877 6.127 3.898 309 HG3 GLU 43 2HG GLU 43 -4.674 5.157 2.440 310 H GLU 44 H GLU 44 -3.030 4.159 6.932 311 HA GLU 44 HA GLU 44 -1.268 1.964 7.353 312 HB2 GLU 44 1HB GLU 44 -1.507 3.927 8.874 313 HB3 GLU 44 2HB GLU 44 -3.094 3.328 9.326 314 HG2 GLU 44 1HG GLU 44 -2.119 1.333 10.244 315 HG3 GLU 44 2HG GLU 44 -0.519 1.839 9.714 316 H ASN 45 H ASN 45 -1.713 -0.103 7.548 317 HA ASN 45 HA ASN 45 -2.804 -2.077 7.659 318 HB2 ASN 45 1HB ASN 45 -4.969 -0.420 8.945 319 HB3 ASN 45 2HB ASN 45 -5.090 -2.159 8.723 320 HD21 ASN 45 1HD2 ASN 45 -3.655 0.398 10.495 321 HD22 ASN 45 2HD2 ASN 45 -2.871 -0.575 11.688 322 H GLN 46 H GLN 46 -2.800 -0.479 5.374 323 HA GLN 46 HA GLN 46 -5.339 -1.134 4.065 324 HB2 GLN 46 1HB GLN 46 -4.440 1.153 3.810 325 HB3 GLN 46 2HB GLN 46 -2.980 0.488 3.104 326 HG2 GLN 46 1HG GLN 46 -4.376 -0.466 1.284 327 HG3 GLN 46 2HG GLN 46 -5.750 0.409 1.958 328 HE21 GLN 46 1HE2 GLN 46 -6.023 1.677 0.162 329 HE22 GLN 46 2HE2 GLN 46 -4.917 2.931 -0.277 330 H LYS 47 H LYS 47 -5.447 -2.834 2.703 331 HA LYS 47 HA LYS 47 -3.253 -4.563 2.305 332 HB2 LYS 47 1HB LYS 47 -5.871 -4.338 0.819 333 HB3 LYS 47 2HB LYS 47 -4.702 -5.624 0.553 334 HG2 LYS 47 1HG LYS 47 -6.163 -5.040 3.116 335 HG3 LYS 47 2HG LYS 47 -6.482 -6.373 2.009 336 HD2 LYS 47 1HD LYS 47 -3.918 -5.926 3.535 337 HD3 LYS 47 2HD LYS 47 -5.180 -7.077 3.972 338 HE2 LYS 47 1HE LYS 47 -4.817 -8.273 1.871 339 HE3 LYS 47 2HE LYS 47 -3.570 -7.112 1.422 340 HZ1 LYS 47 1HZ LYS 47 -2.341 -7.790 3.428 341 HZ2 LYS 47 2HZ LYS 47 -2.535 -9.050 2.314 342 HZ3 LYS 47 3HZ LYS 47 -3.493 -8.998 3.709 343 H VAL 48 H VAL 48 -1.922 -4.876 0.523 344 HA VAL 48 HA VAL 48 -1.994 -2.906 -1.598 345 HB VAL 48 HB VAL 48 -0.961 -1.754 0.342 346 HG11 VAL 48 1HG1 VAL 48 0.083 -3.655 1.401 347 HG12 VAL 48 2HG1 VAL 48 1.287 -2.412 1.054 348 HG13 VAL 48 3HG1 VAL 48 1.176 -3.845 0.030 349 HG21 VAL 48 1HG2 VAL 48 -0.422 -1.046 -1.907 350 HG22 VAL 48 2HG2 VAL 48 0.868 -2.244 -1.995 351 HG23 VAL 48 3HG2 VAL 48 0.991 -0.899 -0.861 352 H GLU 49 H GLU 49 -0.585 -3.324 -3.270 353 HA GLU 49 HA GLU 49 0.783 -5.931 -3.262 354 HB2 GLU 49 1HB GLU 49 -1.190 -5.956 -4.679 355 HB3 GLU 49 2HB GLU 49 -0.688 -4.469 -5.457 356 HG2 GLU 49 1HG GLU 49 1.284 -5.661 -6.350 357 HG3 GLU 49 2HG GLU 49 0.634 -7.155 -5.669 358 H PHE 50 H PHE 50 2.829 -5.963 -4.421 359 HA PHE 50 HA PHE 50 3.963 -3.527 -5.411 360 HB2 PHE 50 1HB PHE 50 5.688 -3.365 -3.550 361 HB3 PHE 50 2HB PHE 50 4.061 -2.841 -3.139 362 HD1 PHE 50 HD1 PHE 50 6.709 -5.206 -2.439 363 HD2 PHE 50 HD2 PHE 50 2.613 -4.281 -1.752 364 HE1 PHE 50 HE1 PHE 50 6.673 -6.761 -0.539 365 HE2 PHE 50 HE2 PHE 50 2.574 -5.837 0.147 366 HZ PHE 50 HZ PHE 50 4.608 -7.079 0.756 367 H GLU 51 H GLU 51 6.464 -3.769 -5.455 368 HA GLU 51 HA GLU 51 7.211 -6.574 -5.974 369 HB2 GLU 51 1HB GLU 51 6.955 -5.312 -8.078 370 HB3 GLU 51 2HB GLU 51 8.080 -4.097 -7.488 371 HG2 GLU 51 1HG GLU 51 9.197 -5.546 -9.039 372 HG3 GLU 51 2HG GLU 51 9.848 -5.802 -7.422 373 H ILE 52 H ILE 52 8.676 -7.179 -4.508 374 HA ILE 52 HA ILE 52 9.983 -5.222 -2.879 375 HB ILE 52 HB ILE 52 10.336 -8.219 -2.897 376 HG12 ILE 52 1HG1 ILE 52 8.669 -6.432 -1.119 377 HG13 ILE 52 2HG1 ILE 52 8.039 -7.489 -2.376 378 HG21 ILE 52 1HG2 ILE 52 11.152 -6.160 -0.848 379 HG22 ILE 52 2HG2 ILE 52 12.243 -7.050 -1.909 380 HG23 ILE 52 3HG2 ILE 52 11.316 -7.909 -0.676 381 HD11 ILE 52 1HD1 ILE 52 8.892 -9.429 -1.149 382 HD12 ILE 52 2HD1 ILE 52 7.751 -8.484 -0.193 383 HD13 ILE 52 3HD1 ILE 52 9.480 -8.353 0.120 384 H GLY 53 H GLY 53 11.686 -4.171 -3.503 385 HA2 GLY 53 1HA GLY 53 13.849 -5.650 -4.870 386 HA3 GLY 53 2HA GLY 53 13.579 -3.920 -5.046 387 H GLU 54 H GLU 54 15.694 -3.441 -4.320 388 HA GLU 54 HA GLU 54 15.932 -3.662 -1.409 389 HB2 GLU 54 1HB GLU 54 17.428 -5.304 -2.431 390 HB3 GLU 54 2HB GLU 54 18.165 -4.041 -3.402 391 HG2 GLU 54 1HG GLU 54 19.089 -2.995 -1.464 392 HG3 GLU 54 2HG GLU 54 18.207 -4.088 -0.398 393 H GLY 55 H GLY 55 16.030 -1.777 -0.510 394 HA2 GLY 55 1HA GLY 55 16.914 0.532 -2.114 395 HA3 GLY 55 2HA GLY 55 15.727 0.607 -0.819 396 H ALA 56 H ALA 56 17.048 2.302 0.064 397 HA ALA 56 HA ALA 56 19.724 2.016 0.802 398 HB1 ALA 56 1HB ALA 56 17.606 3.703 2.119 399 HB2 ALA 56 2HB ALA 56 18.558 4.160 0.706 400 HB3 ALA 56 3HB ALA 56 19.350 3.920 2.264 401 H LYS 57 H LYS 57 16.778 1.059 2.496 402 HA LYS 57 HA LYS 57 18.473 -0.107 4.600 403 HB2 LYS 57 1HB LYS 57 15.784 1.219 4.951 404 HB3 LYS 57 2HB LYS 57 16.635 0.337 6.208 405 HG2 LYS 57 1HG LYS 57 17.588 2.846 4.845 406 HG3 LYS 57 2HG LYS 57 16.926 2.727 6.476 407 HD2 LYS 57 1HD LYS 57 18.798 1.220 7.078 408 HD3 LYS 57 2HD LYS 57 19.478 1.469 5.469 409 HE2 LYS 57 1HE LYS 57 20.596 2.927 7.016 410 HE3 LYS 57 2HE LYS 57 19.588 3.899 5.945 411 HZ1 LYS 57 1HZ LYS 57 17.920 4.021 7.683 412 HZ2 LYS 57 2HZ LYS 57 19.400 4.610 8.248 413 HZ3 LYS 57 3HZ LYS 57 18.873 3.071 8.708 414 H GLY 58 H GLY 58 17.965 -1.706 2.555 415 HA2 GLY 58 1HA GLY 58 17.489 -4.030 2.719 416 HA3 GLY 58 2HA GLY 58 16.209 -3.655 3.861 417 HA PRO 59 HA PRO 59 14.147 -4.779 -0.075 418 HB2 PRO 59 1HB PRO 59 11.790 -5.449 1.163 419 HB3 PRO 59 2HB PRO 59 13.125 -6.567 0.890 420 HG2 PRO 59 1HG PRO 59 12.397 -5.050 3.352 421 HG3 PRO 59 2HG PRO 59 12.964 -6.721 3.192 422 HD2 PRO 59 1HD PRO 59 14.598 -4.741 3.977 423 HD3 PRO 59 2HD PRO 59 15.176 -6.082 2.967 424 H GLN 60 H GLN 60 13.060 -3.436 -1.325 425 HA GLN 60 HA GLN 60 11.532 -1.258 -0.055 426 HB2 GLN 60 1HB GLN 60 12.155 0.191 -1.885 427 HB3 GLN 60 2HB GLN 60 13.619 -0.503 -1.198 428 HG2 GLN 60 1HG GLN 60 13.669 -2.154 -3.014 429 HG3 GLN 60 2HG GLN 60 12.231 -1.413 -3.707 430 HE21 GLN 60 1HE2 GLN 60 13.179 1.287 -2.977 431 HE22 GLN 60 2HE2 GLN 60 14.404 1.664 -4.135 432 H ALA 61 H ALA 61 9.510 -0.852 -0.796 433 HA ALA 61 HA ALA 61 8.324 -2.832 -2.548 434 HB1 ALA 61 1HB ALA 61 7.117 -2.142 -0.545 435 HB2 ALA 61 2HB ALA 61 6.204 -1.723 -1.995 436 HB3 ALA 61 3HB ALA 61 7.091 -0.476 -1.120 437 H GLN 62 H GLN 62 8.645 -2.569 -4.649 438 HA GLN 62 HA GLN 62 8.609 0.143 -5.783 439 HB2 GLN 62 1HB GLN 62 9.463 -2.428 -7.112 440 HB3 GLN 62 2HB GLN 62 9.729 -0.793 -7.698 441 HG2 GLN 62 1HG GLN 62 11.211 -0.358 -5.809 442 HG3 GLN 62 2HG GLN 62 10.948 -1.999 -5.226 443 HE21 GLN 62 1HE2 GLN 62 11.757 -3.738 -6.451 444 HE22 GLN 62 2HE2 GLN 62 13.061 -3.518 -7.562 445 H GLN 63 H GLN 63 7.280 0.605 -7.579 446 HA GLN 63 HA GLN 63 5.300 0.613 -8.695 447 HB2 GLN 63 1HB GLN 63 6.038 -2.300 -8.943 448 HB3 GLN 63 2HB GLN 63 4.660 -1.592 -9.766 449 HG2 GLN 63 1HG GLN 63 6.274 -1.556 -11.398 450 HG3 GLN 63 2HG GLN 63 6.395 0.067 -10.725 451 HE21 GLN 63 1HE2 GLN 63 8.246 0.671 -9.664 452 HE22 GLN 63 2HE2 GLN 63 9.667 -0.307 -9.612 453 H VAL 64 H VAL 64 4.737 0.874 -6.206 454 HA VAL 64 HA VAL 64 3.322 -1.311 -5.013 455 HB VAL 64 HB VAL 64 3.180 1.542 -4.088 456 HG11 VAL 64 1HG1 VAL 64 1.740 0.059 -2.903 457 HG12 VAL 64 2HG1 VAL 64 3.114 0.438 -1.863 458 HG13 VAL 64 3HG1 VAL 64 3.038 -1.114 -2.693 459 HG21 VAL 64 1HG2 VAL 64 5.526 1.084 -4.514 460 HG22 VAL 64 2HG2 VAL 64 5.419 -0.409 -3.579 461 HG23 VAL 64 3HG2 VAL 64 5.216 1.150 -2.779 462 H HIS 65 H HIS 65 1.287 -1.838 -5.282 463 HA HIS 65 HA HIS 65 -0.579 0.141 -6.435 464 HB2 HIS 65 1HB HIS 65 -0.834 -2.863 -6.634 465 HB3 HIS 65 2HB HIS 65 -1.764 -1.656 -7.500 466 HD1 HIS 65 HD1 HIS 65 0.269 -4.100 -8.501 467 HD2 HIS 65 HD2 HIS 65 0.715 0.024 -8.818 468 HE1 HIS 65 HE1 HIS 65 1.851 -3.727 -10.425 469 HE2 HIS 65 HE2 HIS 65 2.030 -1.229 -10.664 470 H ALA 66 H ALA 66 -2.166 0.726 -5.065 471 HA ALA 66 HA ALA 66 -2.378 -0.560 -2.515 472 HB1 ALA 66 1HB ALA 66 -4.096 1.609 -3.710 473 HB2 ALA 66 2HB ALA 66 -2.633 1.864 -2.759 474 HB3 ALA 66 3HB ALA 66 -4.052 1.128 -2.013 475 H LEU 67 H LEU 67 -3.733 -2.088 -1.883 476 HA LEU 67 HA LEU 67 -5.720 -3.072 -3.797 477 HB2 LEU 67 1HB LEU 67 -4.628 -4.304 -1.266 478 HB3 LEU 67 2HB LEU 67 -5.799 -5.064 -2.321 479 HG LEU 67 HG LEU 67 -2.938 -4.399 -3.012 480 HD11 LEU 67 1HD1 LEU 67 -3.180 -6.301 -1.503 481 HD12 LEU 67 2HD1 LEU 67 -2.654 -6.821 -3.104 482 HD13 LEU 67 3HD1 LEU 67 -4.334 -7.042 -2.611 483 HD21 LEU 67 1HD2 LEU 67 -4.354 -4.130 -4.960 484 HD22 LEU 67 2HD2 LEU 67 -5.094 -5.704 -4.668 485 HD23 LEU 67 3HD2 LEU 67 -3.388 -5.598 -5.108 486 H GLY 68 H GLY 68 -5.369 -1.753 -0.579 487 HA2 GLY 68 1HA GLY 68 -8.157 -2.111 0.088 488 HA3 GLY 68 2HA GLY 68 -6.956 -1.252 1.041 489 H GLY 69 H GLY 69 -8.598 -0.938 -2.101 490 HA2 GLY 69 1HA GLY 69 -9.676 1.628 -1.374 491 HA3 GLY 69 2HA GLY 69 -8.372 1.743 -2.549 492 H GLU 70 H GLU 70 -8.612 0.154 -4.423 493 HA GLU 70 HA GLU 70 -11.201 0.552 -5.622 494 HB2 GLU 70 1HB GLU 70 -8.718 -0.856 -6.615 495 HB3 GLU 70 2HB GLU 70 -10.162 -0.582 -7.582 496 HG2 GLU 70 1HG GLU 70 -9.841 1.749 -7.582 497 HG3 GLU 70 2HG GLU 70 -8.632 1.661 -6.303 498 H ASN 71 H ASN 71 -11.922 -0.810 -3.622 499 HA ASN 71 HA ASN 71 -12.909 -3.296 -4.591 500 HB2 ASN 71 1HB ASN 71 -10.597 -3.980 -3.924 501 HB3 ASN 71 2HB ASN 71 -10.928 -3.417 -2.292 502 HD21 ASN 71 1HD2 ASN 71 -10.536 -5.468 -1.450 503 HD22 ASN 71 2HD2 ASN 71 -11.665 -6.765 -1.630 504 H LEU 72 H LEU 72 -14.292 -4.335 -2.816 505 HA LEU 72 HA LEU 72 -15.939 -2.408 -1.627 506 HB2 LEU 72 1HB LEU 72 -15.605 -5.347 -1.030 507 HB3 LEU 72 2HB LEU 72 -16.832 -4.353 -0.274 508 HG LEU 72 HG LEU 72 -17.695 -3.850 -2.613 509 HD11 LEU 72 1HD1 LEU 72 -15.754 -4.504 -3.900 510 HD12 LEU 72 2HD1 LEU 72 -17.143 -5.492 -4.352 511 HD13 LEU 72 3HD1 LEU 72 -15.890 -6.160 -3.308 512 HD21 LEU 72 1HD2 LEU 72 -17.779 -6.689 -1.611 513 HD22 LEU 72 2HD2 LEU 72 -18.901 -5.978 -2.771 514 HD23 LEU 72 3HD2 LEU 72 -18.840 -5.369 -1.117 515 H TYR 73 H TYR 73 -13.684 -4.653 -0.039 516 HA TYR 73 HA TYR 73 -12.285 -4.441 1.725 517 HB2 TYR 73 1HB TYR 73 -11.657 -2.420 0.205 518 HB3 TYR 73 2HB TYR 73 -12.422 -1.454 1.461 519 HD1 TYR 73 HD1 TYR 73 -10.180 -4.433 1.557 520 HD2 TYR 73 HD2 TYR 73 -10.793 -0.388 2.720 521 HE1 TYR 73 HE1 TYR 73 -8.069 -4.480 2.807 522 HE2 TYR 73 HE2 TYR 73 -8.680 -0.425 3.981 523 HH TYR 73 HH TYR 73 -7.131 -1.973 4.973 524 H PHE 74 H PHE 74 -14.113 -5.198 3.015 525 HA PHE 74 HA PHE 74 -15.605 -3.252 4.542 526 HB2 PHE 74 1HB PHE 74 -15.501 -6.268 4.677 527 HB3 PHE 74 2HB PHE 74 -16.556 -5.272 5.673 528 HD1 PHE 74 HD1 PHE 74 -16.134 -6.901 2.521 529 HD2 PHE 74 HD2 PHE 74 -18.245 -3.794 4.513 530 HE1 PHE 74 HE1 PHE 74 -17.825 -6.912 0.737 531 HE2 PHE 74 HE2 PHE 74 -19.940 -3.795 2.733 532 HZ PHE 74 HZ PHE 74 -19.730 -5.356 0.843 533 H GLN 75 H GLN 75 -13.382 -2.399 5.237 534 HA GLN 75 HA GLN 75 -12.246 -3.875 7.480 535 HB2 GLN 75 1HB GLN 75 -10.803 -2.779 5.727 536 HB3 GLN 75 2HB GLN 75 -11.358 -1.224 6.324 537 HG2 GLN 75 1HG GLN 75 -9.182 -1.751 7.226 538 HG3 GLN 75 2HG GLN 75 -10.386 -1.713 8.513 539 HE21 GLN 75 1HE2 GLN 75 -10.032 -4.360 6.255 540 HE22 GLN 75 2HE2 GLN 75 -9.440 -5.510 7.400 541 H GLY 76 H GLY 76 -14.824 -3.099 7.973 542 HA2 GLY 76 1HA GLY 76 -14.759 -0.651 9.541 543 HA3 GLY 76 2HA GLY 76 -16.145 -1.708 9.313 544 H HIS 77 H HIS 77 -15.256 -4.105 10.111 545 HA HIS 77 HA HIS 77 -14.869 -5.450 11.890 546 HB2 HIS 77 1HB HIS 77 -12.589 -4.338 11.627 547 HB3 HIS 77 2HB HIS 77 -13.053 -3.290 12.958 548 HD1 HIS 77 HD1 HIS 77 -12.650 -7.006 12.267 549 HD2 HIS 77 HD2 HIS 77 -12.421 -4.288 15.401 550 HE1 HIS 77 HE1 HIS 77 -11.785 -8.311 14.232 551 HE2 HIS 77 HE2 HIS 77 -11.442 -6.589 16.041 552 H HIS 78 H HIS 78 -17.068 -3.589 11.987 553 HA HIS 78 HA HIS 78 -17.219 -2.937 14.846 554 HB2 HIS 78 1HB HIS 78 -19.006 -2.086 12.559 555 HB3 HIS 78 2HB HIS 78 -19.236 -1.625 14.238 556 HD1 HIS 78 HD1 HIS 78 -16.942 -0.359 15.261 557 HD2 HIS 78 HD2 HIS 78 -17.646 -0.224 11.165 558 HE1 HIS 78 HE1 HIS 78 -15.572 1.563 14.400 559 HE2 HIS 78 HE2 HIS 78 -15.899 1.536 11.904 560 H HIS 79 H HIS 79 -18.593 -4.958 12.373 561 HA HIS 79 HA HIS 79 -20.688 -5.893 14.188 562 HB2 HIS 79 1HB HIS 79 -20.155 -6.504 11.275 563 HB3 HIS 79 2HB HIS 79 -21.475 -7.199 12.209 564 HD1 HIS 79 HD1 HIS 79 -20.904 -4.624 9.871 565 HD2 HIS 79 HD2 HIS 79 -23.088 -4.884 13.397 566 HE1 HIS 79 HE1 HIS 79 -22.578 -2.757 9.767 567 HE2 HIS 79 HE2 HIS 79 -23.965 -3.007 11.854 568 H HIS 80 H HIS 80 -18.847 -6.747 15.547 569 HA HIS 80 HA HIS 80 -17.539 -9.100 14.472 570 HB2 HIS 80 1HB HIS 80 -16.402 -7.402 15.994 571 HB3 HIS 80 2HB HIS 80 -17.355 -8.088 17.307 572 HD1 HIS 80 HD1 HIS 80 -16.214 -9.908 18.542 573 HD2 HIS 80 HD2 HIS 80 -14.817 -9.557 14.642 574 HE1 HIS 80 HE1 HIS 80 -14.382 -11.614 18.323 575 HE2 HIS 80 HE2 HIS 80 -13.461 -11.291 15.999 576 H HIS 81 H HIS 81 -20.104 -8.297 16.741 577 HA HIS 81 HA HIS 81 -21.013 -11.041 16.477 578 HB2 HIS 81 1HB HIS 81 -21.324 -11.438 18.847 579 HB3 HIS 81 2HB HIS 81 -19.633 -11.108 18.513 580 HD1 HIS 81 HD1 HIS 81 -18.592 -9.045 19.625 581 HD2 HIS 81 HD2 HIS 81 -22.651 -9.499 20.397 582 HE1 HIS 81 HE1 HIS 81 -19.112 -7.436 21.480 583 HE2 HIS 81 HE2 HIS 81 -21.494 -7.944 22.108 584 H HIS 82 H HIS 82 -21.738 -8.056 15.974 585 HA HIS 82 HA HIS 82 -24.503 -8.515 15.852 586 HB2 HIS 82 1HB HIS 82 -25.388 -6.914 17.422 587 HB3 HIS 82 2HB HIS 82 -24.374 -8.048 18.301 588 HD1 HIS 82 HD1 HIS 82 -24.763 -4.460 17.503 589 HD2 HIS 82 HD2 HIS 82 -21.931 -6.932 19.269 590 HE1 HIS 82 HE1 HIS 82 -23.194 -2.924 18.724 591 HE2 HIS 82 HE2 HIS 82 -21.612 -4.459 19.942 Start of MODEL 14 1 H2 MET 1 2H MET 1 3.790 -8.816 -7.601 2 H MET 1 1H MET 1 3.897 -9.697 -9.038 3 H3 MET 1 3H MET 1 2.759 -10.130 -7.864 4 HA MET 1 HA MET 1 4.574 -11.657 -7.805 5 HB2 MET 1 1HB MET 1 6.225 -9.160 -7.397 6 HB3 MET 1 2HB MET 1 6.819 -10.776 -7.045 7 HG2 MET 1 1HG MET 1 6.510 -11.410 -9.374 8 HG3 MET 1 2HG MET 1 5.882 -9.804 -9.733 9 HE1 MET 1 1HE MET 1 9.024 -11.888 -8.648 10 HE2 MET 1 2HE MET 1 8.920 -10.708 -7.344 11 HE3 MET 1 3HE MET 1 10.256 -10.639 -8.491 12 H ALA 2 H ALA 2 5.009 -8.836 -5.644 13 HA ALA 2 HA ALA 2 4.460 -10.650 -3.400 14 HB1 ALA 2 1HB ALA 2 5.903 -8.004 -3.381 15 HB2 ALA 2 2HB ALA 2 6.670 -9.593 -3.362 16 HB3 ALA 2 3HB ALA 2 5.675 -9.075 -1.999 17 H GLN 3 H GLN 3 3.243 -9.884 -1.639 18 HA GLN 3 HA GLN 3 1.547 -7.555 -2.086 19 HB2 GLN 3 1HB GLN 3 0.521 -10.326 -1.456 20 HB3 GLN 3 2HB GLN 3 -0.442 -8.863 -1.331 21 HG2 GLN 3 1HG GLN 3 -0.196 -8.481 -3.714 22 HG3 GLN 3 2HG GLN 3 0.806 -9.926 -3.851 23 HE21 GLN 3 1HE2 GLN 3 -2.387 -8.695 -3.367 24 HE22 GLN 3 2HE2 GLN 3 -3.226 -10.182 -3.598 25 H GLY 4 H GLY 4 0.248 -7.151 -0.029 26 HA2 GLY 4 1HA GLY 4 0.842 -8.362 2.393 27 HA3 GLY 4 2HA GLY 4 2.033 -7.091 2.164 28 H THR 5 H THR 5 1.007 -6.324 4.144 29 HA THR 5 HA THR 5 -1.216 -4.524 3.454 30 HB THR 5 HB THR 5 -0.793 -5.698 6.205 31 HG1 THR 5 HG1 THR 5 -1.366 -7.345 4.652 32 HG21 THR 5 1HG2 THR 5 -3.088 -4.920 6.574 33 HG22 THR 5 2HG2 THR 5 -3.140 -4.294 4.926 34 HG23 THR 5 3HG2 THR 5 -2.029 -3.589 6.103 35 H VAL 6 H VAL 6 -0.612 -2.460 3.642 36 HA VAL 6 HA VAL 6 1.919 -1.741 4.643 37 HB VAL 6 HB VAL 6 1.140 -0.275 3.021 38 HG11 VAL 6 1HG1 VAL 6 -1.182 -0.854 3.022 39 HG12 VAL 6 2HG1 VAL 6 -1.028 0.897 3.152 40 HG13 VAL 6 3HG1 VAL 6 -1.418 -0.060 4.578 41 HG21 VAL 6 1HG2 VAL 6 0.954 1.916 4.088 42 HG22 VAL 6 2HG2 VAL 6 2.196 0.929 4.866 43 HG23 VAL 6 3HG2 VAL 6 0.621 1.135 5.636 44 H LYS 7 H LYS 7 2.558 -1.680 6.596 45 HA LYS 7 HA LYS 7 0.867 -1.964 8.842 46 HB2 LYS 7 1HB LYS 7 3.207 -2.811 8.645 47 HB3 LYS 7 2HB LYS 7 3.775 -1.151 8.726 48 HG2 LYS 7 1HG LYS 7 2.704 -0.961 10.959 49 HG3 LYS 7 2HG LYS 7 2.338 -2.683 10.875 50 HD2 LYS 7 1HD LYS 7 5.073 -1.417 10.821 51 HD3 LYS 7 2HD LYS 7 4.365 -2.334 12.150 52 HE2 LYS 7 1HE LYS 7 4.250 -4.309 10.652 53 HE3 LYS 7 2HE LYS 7 5.085 -3.371 9.414 54 HZ1 LYS 7 1HZ LYS 7 6.897 -3.062 11.104 55 HZ2 LYS 7 2HZ LYS 7 6.723 -4.634 10.501 56 HZ3 LYS 7 3HZ LYS 7 6.131 -4.244 12.042 57 H TRP 8 H TRP 8 2.691 0.655 7.434 58 HA TRP 8 HA TRP 8 0.879 2.639 8.318 59 HB2 TRP 8 1HB TRP 8 2.405 3.924 9.750 60 HB3 TRP 8 2HB TRP 8 2.074 2.346 10.451 61 HD1 TRP 8 HD1 TRP 8 4.091 0.659 10.681 62 HE1 TRP 8 HE1 TRP 8 6.641 0.955 10.517 63 HE3 TRP 8 HE3 TRP 8 4.233 5.247 8.434 64 HZ2 TRP 8 HZ2 TRP 8 8.465 2.880 9.567 65 HZ3 TRP 8 HZ3 TRP 8 6.424 6.241 7.930 66 HH2 TRP 8 HH2 TRP 8 8.493 5.078 8.484 67 H PHE 9 H PHE 9 1.384 4.695 7.391 68 HA PHE 9 HA PHE 9 3.770 4.774 5.711 69 HB2 PHE 9 1HB PHE 9 1.818 3.972 4.338 70 HB3 PHE 9 2HB PHE 9 1.046 5.525 4.638 71 HD1 PHE 9 HD1 PHE 9 1.629 7.436 3.382 72 HD2 PHE 9 HD2 PHE 9 3.973 3.897 3.104 73 HE1 PHE 9 HE1 PHE 9 2.837 8.389 1.464 74 HE2 PHE 9 HE2 PHE 9 5.188 4.847 1.190 75 HZ PHE 9 HZ PHE 9 4.621 7.095 0.369 76 H ASN 10 H ASN 10 4.728 6.709 5.642 77 HA ASN 10 HA ASN 10 3.383 8.949 6.985 78 HB2 ASN 10 1HB ASN 10 5.623 8.206 7.829 79 HB3 ASN 10 2HB ASN 10 6.308 8.641 6.270 80 HD21 ASN 10 1HD2 ASN 10 6.801 9.650 8.996 81 HD22 ASN 10 2HD2 ASN 10 6.574 11.360 8.893 82 H ALA 11 H ALA 11 2.318 10.181 5.601 83 HA ALA 11 HA ALA 11 2.777 10.029 2.798 84 HB1 ALA 11 1HB ALA 11 0.897 11.551 2.603 85 HB2 ALA 11 2HB ALA 11 0.958 11.868 4.336 86 HB3 ALA 11 3HB ALA 11 0.541 10.259 3.747 87 H GLU 12 H GLU 12 3.485 12.466 5.260 88 HA GLU 12 HA GLU 12 4.096 14.475 3.314 89 HB2 GLU 12 1HB GLU 12 4.928 15.790 5.248 90 HB3 GLU 12 2HB GLU 12 3.280 15.211 5.439 91 HG2 GLU 12 1HG GLU 12 4.043 13.449 6.908 92 HG3 GLU 12 2HG GLU 12 5.714 13.944 6.662 93 H LYS 13 H LYS 13 5.883 11.983 4.904 94 HA LYS 13 HA LYS 13 8.419 13.107 3.987 95 HB2 LYS 13 1HB LYS 13 7.896 10.549 5.498 96 HB3 LYS 13 2HB LYS 13 9.469 11.256 5.171 97 HG2 LYS 13 1HG LYS 13 7.308 12.440 6.883 98 HG3 LYS 13 2HG LYS 13 8.794 11.680 7.446 99 HD2 LYS 13 1HD LYS 13 10.102 13.418 6.344 100 HD3 LYS 13 2HD LYS 13 8.617 14.171 5.761 101 HE2 LYS 13 1HE LYS 13 7.898 14.518 8.078 102 HE3 LYS 13 2HE LYS 13 9.401 13.799 8.647 103 HZ1 LYS 13 1HZ LYS 13 10.625 15.585 7.608 104 HZ2 LYS 13 2HZ LYS 13 9.471 16.225 8.664 105 HZ3 LYS 13 3HZ LYS 13 9.198 16.256 6.994 106 H GLY 14 H GLY 14 6.141 10.583 3.292 107 HA2 GLY 14 1HA GLY 14 5.770 9.715 1.159 108 HA3 GLY 14 2HA GLY 14 7.347 10.304 0.664 109 H PHE 15 H PHE 15 7.025 8.404 3.577 110 HA PHE 15 HA PHE 15 7.709 5.975 2.130 111 HB2 PHE 15 1HB PHE 15 9.711 5.505 3.341 112 HB3 PHE 15 2HB PHE 15 9.872 7.116 2.662 113 HD1 PHE 15 HD1 PHE 15 9.895 9.077 4.114 114 HD2 PHE 15 HD2 PHE 15 9.578 5.147 5.719 115 HE1 PHE 15 HE1 PHE 15 10.507 9.935 6.338 116 HE2 PHE 15 HE2 PHE 15 10.184 6.005 7.941 117 HZ PHE 15 HZ PHE 15 10.650 8.399 8.253 118 H GLY 16 H GLY 16 7.743 4.060 3.551 119 HA2 GLY 16 1HA GLY 16 6.575 4.168 6.147 120 HA3 GLY 16 2HA GLY 16 5.375 3.754 4.929 121 H PHE 17 H PHE 17 5.321 1.721 6.263 122 HA PHE 17 HA PHE 17 7.193 -0.174 5.043 123 HB2 PHE 17 1HB PHE 17 6.767 0.237 7.961 124 HB3 PHE 17 2HB PHE 17 6.988 -1.411 7.378 125 HD1 PHE 17 HD1 PHE 17 9.090 -2.135 6.462 126 HD2 PHE 17 HD2 PHE 17 8.569 1.854 7.833 127 HE1 PHE 17 HE1 PHE 17 11.527 -1.810 6.425 128 HE2 PHE 17 HE2 PHE 17 11.005 2.190 7.806 129 HZ PHE 17 HZ PHE 17 12.490 0.355 7.099 130 H ILE 18 H ILE 18 6.328 -1.969 4.341 131 HA ILE 18 HA ILE 18 3.506 -2.506 4.955 132 HB ILE 18 HB ILE 18 5.210 -3.309 2.596 133 HG12 ILE 18 1HG1 ILE 18 2.635 -1.759 2.584 134 HG13 ILE 18 2HG1 ILE 18 4.203 -0.977 2.730 135 HG21 ILE 18 1HG2 ILE 18 3.196 -4.389 1.681 136 HG22 ILE 18 2HG2 ILE 18 2.383 -4.127 3.224 137 HG23 ILE 18 3HG2 ILE 18 3.796 -5.181 3.139 138 HD11 ILE 18 1HD1 ILE 18 3.378 -0.966 0.432 139 HD12 ILE 18 2HD1 ILE 18 3.331 -2.731 0.446 140 HD13 ILE 18 3HD1 ILE 18 4.874 -1.887 0.584 141 H ALA 19 H ALA 19 2.883 -4.514 5.654 142 HA ALA 19 HA ALA 19 5.025 -6.383 6.380 143 HB1 ALA 19 1HB ALA 19 3.335 -7.479 7.773 144 HB2 ALA 19 2HB ALA 19 2.110 -6.357 7.180 145 HB3 ALA 19 3HB ALA 19 3.452 -5.762 8.159 146 HA PRO 20 HA PRO 20 3.759 -8.087 2.324 147 HB2 PRO 20 1HB PRO 20 6.074 -9.799 3.040 148 HB3 PRO 20 2HB PRO 20 5.712 -8.977 1.522 149 HG2 PRO 20 1HG PRO 20 7.579 -8.027 3.152 150 HG3 PRO 20 2HG PRO 20 6.479 -6.931 2.297 151 HD2 PRO 20 1HD PRO 20 6.456 -7.791 5.149 152 HD3 PRO 20 2HD PRO 20 6.075 -6.211 4.446 153 H ASP 21 H ASP 21 2.765 -9.915 1.710 154 HA ASP 21 HA ASP 21 1.668 -11.594 3.743 155 HB2 ASP 21 1HB ASP 21 0.324 -10.929 1.831 156 HB3 ASP 21 2HB ASP 21 1.464 -11.689 0.729 157 H ASP 22 H ASP 22 4.505 -11.646 1.980 158 HA ASP 22 HA ASP 22 4.794 -14.498 1.739 159 HB2 ASP 22 1HB ASP 22 5.808 -12.758 0.182 160 HB3 ASP 22 2HB ASP 22 6.983 -12.447 1.453 161 H GLY 23 H GLY 23 4.401 -13.222 4.411 162 HA2 GLY 23 1HA GLY 23 5.043 -14.312 6.436 163 HA3 GLY 23 2HA GLY 23 6.627 -14.606 5.735 164 H SER 24 H SER 24 5.350 -11.516 5.217 165 HA SER 24 HA SER 24 5.938 -9.450 5.875 166 HB2 SER 24 1HB SER 24 5.710 -9.025 8.332 167 HB3 SER 24 2HB SER 24 4.352 -9.880 7.604 168 HG SER 24 HG SER 24 6.287 -11.572 8.535 169 H ALA 25 H ALA 25 8.081 -9.687 4.948 170 HA ALA 25 HA ALA 25 10.273 -9.932 6.825 171 HB1 ALA 25 1HB ALA 25 11.712 -9.522 4.899 172 HB2 ALA 25 2HB ALA 25 10.299 -9.148 3.913 173 HB3 ALA 25 3HB ALA 25 10.529 -10.781 4.541 174 H ASP 26 H ASP 26 8.091 -7.642 6.241 175 HA ASP 26 HA ASP 26 7.849 -5.425 6.579 176 HB2 ASP 26 1HB ASP 26 10.550 -5.649 7.918 177 HB3 ASP 26 2HB ASP 26 9.496 -4.241 7.996 178 H VAL 27 H VAL 27 7.815 -4.643 4.575 179 HA VAL 27 HA VAL 27 10.386 -4.114 3.268 180 HB VAL 27 HB VAL 27 8.798 -5.585 2.067 181 HG11 VAL 27 1HG1 VAL 27 7.085 -3.121 1.913 182 HG12 VAL 27 2HG1 VAL 27 6.708 -4.613 2.779 183 HG13 VAL 27 3HG1 VAL 27 6.814 -4.616 1.017 184 HG21 VAL 27 1HG2 VAL 27 9.407 -2.953 0.746 185 HG22 VAL 27 2HG2 VAL 27 8.949 -4.434 -0.099 186 HG23 VAL 27 3HG2 VAL 27 10.456 -4.371 0.821 187 H PHE 28 H PHE 28 10.974 -2.132 2.686 188 HA PHE 28 HA PHE 28 9.664 0.103 3.915 189 HB2 PHE 28 1HB PHE 28 12.075 -0.025 3.912 190 HB3 PHE 28 2HB PHE 28 12.109 -0.153 2.160 191 HD1 PHE 28 HD1 PHE 28 12.047 1.768 0.785 192 HD2 PHE 28 HD2 PHE 28 11.465 2.121 4.986 193 HE1 PHE 28 HE1 PHE 28 12.310 4.205 0.612 194 HE2 PHE 28 HE2 PHE 28 11.727 4.561 4.819 195 HZ PHE 28 HZ PHE 28 12.148 5.605 2.629 196 H VAL 29 H VAL 29 8.269 1.483 2.995 197 HA VAL 29 HA VAL 29 7.737 1.169 0.126 198 HB VAL 29 HB VAL 29 6.060 2.867 1.927 199 HG11 VAL 29 1HG1 VAL 29 5.424 1.167 -0.477 200 HG12 VAL 29 2HG1 VAL 29 5.646 2.917 -0.472 201 HG13 VAL 29 3HG1 VAL 29 4.287 2.198 0.391 202 HG21 VAL 29 1HG2 VAL 29 6.315 0.776 3.133 203 HG22 VAL 29 2HG2 VAL 29 5.840 -0.123 1.692 204 HG23 VAL 29 3HG2 VAL 29 4.680 0.941 2.491 205 H HIS 30 H HIS 30 7.749 2.887 -1.273 206 HA HIS 30 HA HIS 30 8.668 5.476 -0.256 207 HB2 HIS 30 1HB HIS 30 10.568 4.035 -1.135 208 HB3 HIS 30 2HB HIS 30 9.810 4.143 -2.717 209 HD1 HIS 30 HD1 HIS 30 11.519 5.486 -3.912 210 HD2 HIS 30 HD2 HIS 30 10.344 7.235 -0.324 211 HE1 HIS 30 HE1 HIS 30 12.637 7.747 -3.853 212 HE2 HIS 30 HE2 HIS 30 11.798 8.839 -1.744 213 H TYR 31 H TYR 31 7.490 7.105 -1.077 214 HA TYR 31 HA TYR 31 5.075 6.497 -2.303 215 HB2 TYR 31 1HB TYR 31 4.564 8.794 -2.222 216 HB3 TYR 31 2HB TYR 31 5.613 8.487 -0.846 217 HD1 TYR 31 HD1 TYR 31 8.104 9.078 -1.107 218 HD2 TYR 31 HD2 TYR 31 5.081 10.463 -3.758 219 HE1 TYR 31 HE1 TYR 31 9.585 10.895 -1.839 220 HE2 TYR 31 HE2 TYR 31 6.556 12.279 -4.502 221 HH TYR 31 HH TYR 31 9.846 12.352 -3.868 222 H SER 32 H SER 32 8.085 7.366 -3.827 223 HA SER 32 HA SER 32 6.941 8.210 -6.296 224 HB2 SER 32 1HB SER 32 9.295 7.847 -7.157 225 HB3 SER 32 2HB SER 32 9.159 8.950 -5.786 226 HG SER 32 HG SER 32 10.119 6.293 -5.861 227 H GLU 33 H GLU 33 7.619 5.163 -4.857 228 HA GLU 33 HA GLU 33 7.460 3.741 -7.387 229 HB2 GLU 33 1HB GLU 33 8.050 2.927 -4.559 230 HB3 GLU 33 2HB GLU 33 7.624 1.723 -5.763 231 HG2 GLU 33 1HG GLU 33 10.016 1.861 -5.551 232 HG3 GLU 33 2HG GLU 33 9.525 2.437 -7.140 233 H ILE 34 H ILE 34 5.376 4.912 -5.025 234 HA ILE 34 HA ILE 34 3.443 2.828 -5.036 235 HB ILE 34 HB ILE 34 3.175 5.730 -4.259 236 HG12 ILE 34 1HG1 ILE 34 3.459 3.209 -2.612 237 HG13 ILE 34 2HG1 ILE 34 4.693 4.443 -2.835 238 HG21 ILE 34 1HG2 ILE 34 1.228 3.460 -3.860 239 HG22 ILE 34 2HG2 ILE 34 1.003 4.859 -4.912 240 HG23 ILE 34 3HG2 ILE 34 1.077 5.074 -3.162 241 HD11 ILE 34 1HD1 ILE 34 3.633 4.694 -0.685 242 HD12 ILE 34 2HD1 ILE 34 2.048 4.792 -1.452 243 HD13 ILE 34 3HD1 ILE 34 3.233 6.068 -1.715 244 H GLN 35 H GLN 35 1.774 2.464 -6.287 245 HA GLN 35 HA GLN 35 1.430 4.186 -8.645 246 HB2 GLN 35 1HB GLN 35 0.744 1.260 -8.326 247 HB3 GLN 35 2HB GLN 35 0.695 2.195 -9.813 248 HG2 GLN 35 1HG GLN 35 3.175 1.609 -8.222 249 HG3 GLN 35 2HG GLN 35 2.657 0.727 -9.654 250 HE21 GLN 35 1HE2 GLN 35 5.077 2.310 -9.107 251 HE22 GLN 35 2HE2 GLN 35 5.153 3.484 -10.371 252 H GLY 36 H GLY 36 -0.466 5.232 -8.792 253 HA2 GLY 36 1HA GLY 36 -2.900 4.017 -7.791 254 HA3 GLY 36 2HA GLY 36 -2.392 5.467 -6.936 255 H ASN 37 H ASN 37 -4.769 5.698 -8.018 256 HA ASN 37 HA ASN 37 -4.503 6.801 -10.715 257 HB2 ASN 37 1HB ASN 37 -6.942 6.863 -10.752 258 HB3 ASN 37 2HB ASN 37 -6.388 5.268 -10.262 259 HD21 ASN 37 1HD2 ASN 37 -8.951 6.553 -9.826 260 HD22 ASN 37 2HD2 ASN 37 -9.193 6.587 -8.115 261 H GLY 38 H GLY 38 -3.163 8.261 -8.816 262 HA2 GLY 38 1HA GLY 38 -3.183 10.727 -8.832 263 HA3 GLY 38 2HA GLY 38 -4.898 10.628 -8.449 264 H PHE 39 H PHE 39 -3.010 8.280 -6.926 265 HA PHE 39 HA PHE 39 -2.592 9.898 -4.525 266 HB2 PHE 39 1HB PHE 39 -4.141 7.322 -4.694 267 HB3 PHE 39 2HB PHE 39 -3.352 7.817 -3.204 268 HD1 PHE 39 HD1 PHE 39 -4.098 9.829 -2.017 269 HD2 PHE 39 HD2 PHE 39 -6.157 8.351 -5.436 270 HE1 PHE 39 HE1 PHE 39 -6.066 11.170 -1.405 271 HE2 PHE 39 HE2 PHE 39 -8.128 9.695 -4.834 272 HZ PHE 39 HZ PHE 39 -8.086 11.105 -2.817 273 H ARG 40 H ARG 40 -0.467 9.759 -4.143 274 HA ARG 40 HA ARG 40 0.805 7.127 -4.462 275 HB2 ARG 40 1HB ARG 40 2.038 9.878 -4.306 276 HB3 ARG 40 2HB ARG 40 2.963 8.383 -4.293 277 HG2 ARG 40 1HG ARG 40 1.912 7.827 -6.501 278 HG3 ARG 40 2HG ARG 40 1.261 9.468 -6.517 279 HD2 ARG 40 1HD ARG 40 3.528 10.364 -6.352 280 HD3 ARG 40 2HD ARG 40 4.176 8.727 -6.338 281 HE ARG 40 HE ARG 40 2.931 10.083 -8.629 282 HH11 ARG 40 1HH1 ARG 40 4.641 7.331 -7.318 283 HH12 ARG 40 2HH1 ARG 40 5.236 6.800 -8.856 284 HH21 ARG 40 1HH2 ARG 40 3.698 9.379 -10.665 285 HH22 ARG 40 2HH2 ARG 40 4.686 7.955 -10.766 286 H THR 41 H THR 41 -0.830 7.294 -2.414 287 HA THR 41 HA THR 41 0.957 7.305 -0.108 288 HB THR 41 HB THR 41 -1.010 8.249 1.238 289 HG1 THR 41 HG1 THR 41 -1.882 9.771 -0.840 290 HG21 THR 41 1HG2 THR 41 -0.360 10.569 0.772 291 HG22 THR 41 2HG2 THR 41 0.437 10.039 -0.712 292 HG23 THR 41 3HG2 THR 41 1.041 9.501 0.855 293 H LEU 42 H LEU 42 0.446 5.801 1.448 294 HA LEU 42 HA LEU 42 -1.674 3.904 0.722 295 HB2 LEU 42 1HB LEU 42 0.930 3.489 2.181 296 HB3 LEU 42 2HB LEU 42 -0.331 2.278 2.094 297 HG LEU 42 HG LEU 42 1.218 3.396 -0.234 298 HD11 LEU 42 1HD1 LEU 42 1.210 0.634 0.965 299 HD12 LEU 42 2HD1 LEU 42 2.463 1.848 1.224 300 HD13 LEU 42 3HD1 LEU 42 2.186 1.200 -0.391 301 HD21 LEU 42 1HD2 LEU 42 -1.019 2.916 -0.962 302 HD22 LEU 42 2HD2 LEU 42 -1.006 1.363 -0.128 303 HD23 LEU 42 3HD2 LEU 42 0.040 1.623 -1.526 304 H GLU 43 H GLU 43 -2.945 3.032 2.377 305 HA GLU 43 HA GLU 43 -3.209 4.842 4.654 306 HB2 GLU 43 1HB GLU 43 -5.139 2.763 3.618 307 HB3 GLU 43 2HB GLU 43 -5.463 3.940 4.881 308 HG2 GLU 43 1HG GLU 43 -5.025 4.447 1.958 309 HG3 GLU 43 2HG GLU 43 -6.496 4.711 2.894 310 H GLU 44 H GLU 44 -3.074 4.143 6.727 311 HA GLU 44 HA GLU 44 -1.547 1.887 7.322 312 HB2 GLU 44 1HB GLU 44 -1.854 3.903 8.766 313 HB3 GLU 44 2HB GLU 44 -3.461 3.315 9.164 314 HG2 GLU 44 1HG GLU 44 -2.414 1.262 10.073 315 HG3 GLU 44 2HG GLU 44 -0.840 2.004 9.805 316 H ASN 45 H ASN 45 -2.023 -0.179 7.547 317 HA ASN 45 HA ASN 45 -3.137 -2.135 7.742 318 HB2 ASN 45 1HB ASN 45 -5.320 -0.377 8.848 319 HB3 ASN 45 2HB ASN 45 -5.486 -2.120 8.701 320 HD21 ASN 45 1HD2 ASN 45 -4.070 0.479 10.427 321 HD22 ASN 45 2HD2 ASN 45 -3.355 -0.455 11.688 322 H GLN 46 H GLN 46 -3.030 -0.764 5.309 323 HA GLN 46 HA GLN 46 -5.533 -1.654 4.037 324 HB2 GLN 46 1HB GLN 46 -4.977 0.730 3.701 325 HB3 GLN 46 2HB GLN 46 -3.439 0.260 2.999 326 HG2 GLN 46 1HG GLN 46 -4.595 -0.863 1.180 327 HG3 GLN 46 2HG GLN 46 -6.147 -0.418 1.884 328 HE21 GLN 46 1HE2 GLN 46 -3.330 0.701 0.225 329 HE22 GLN 46 2HE2 GLN 46 -3.966 2.236 -0.248 330 H LYS 47 H LYS 47 -5.433 -3.156 2.416 331 HA LYS 47 HA LYS 47 -3.077 -4.736 2.202 332 HB2 LYS 47 1HB LYS 47 -5.791 -4.795 0.991 333 HB3 LYS 47 2HB LYS 47 -4.505 -5.666 0.166 334 HG2 LYS 47 1HG LYS 47 -5.193 -6.056 3.063 335 HG3 LYS 47 2HG LYS 47 -5.835 -7.044 1.747 336 HD2 LYS 47 1HD LYS 47 -3.492 -7.570 1.089 337 HD3 LYS 47 2HD LYS 47 -2.943 -6.712 2.531 338 HE2 LYS 47 1HE LYS 47 -4.754 -9.118 2.496 339 HE3 LYS 47 2HE LYS 47 -3.033 -9.133 2.870 340 HZ1 LYS 47 1HZ LYS 47 -3.474 -7.703 4.770 341 HZ2 LYS 47 2HZ LYS 47 -4.357 -9.143 4.877 342 HZ3 LYS 47 3HZ LYS 47 -5.129 -7.714 4.417 343 H VAL 48 H VAL 48 -1.823 -5.097 0.333 344 HA VAL 48 HA VAL 48 -1.911 -3.120 -1.771 345 HB VAL 48 HB VAL 48 -0.868 -1.925 0.117 346 HG11 VAL 48 1HG1 VAL 48 1.271 -4.031 -0.083 347 HG12 VAL 48 2HG1 VAL 48 0.127 -3.832 1.246 348 HG13 VAL 48 3HG1 VAL 48 1.332 -2.583 0.927 349 HG21 VAL 48 1HG2 VAL 48 1.001 -2.528 -2.162 350 HG22 VAL 48 2HG2 VAL 48 1.127 -1.151 -1.068 351 HG23 VAL 48 3HG2 VAL 48 -0.267 -1.301 -2.140 352 H GLU 49 H GLU 49 -0.511 -3.577 -3.470 353 HA GLU 49 HA GLU 49 0.884 -6.165 -3.363 354 HB2 GLU 49 1HB GLU 49 -1.110 -6.343 -4.733 355 HB3 GLU 49 2HB GLU 49 -0.663 -4.898 -5.626 356 HG2 GLU 49 1HG GLU 49 1.298 -6.057 -6.504 357 HG3 GLU 49 2HG GLU 49 0.825 -7.509 -5.619 358 H PHE 50 H PHE 50 2.922 -6.220 -4.389 359 HA PHE 50 HA PHE 50 3.974 -3.868 -5.646 360 HB2 PHE 50 1HB PHE 50 5.697 -3.465 -3.838 361 HB3 PHE 50 2HB PHE 50 4.054 -2.988 -3.432 362 HD1 PHE 50 HD1 PHE 50 2.716 -4.357 -1.883 363 HD2 PHE 50 HD2 PHE 50 6.829 -5.168 -2.614 364 HE1 PHE 50 HE1 PHE 50 2.799 -5.730 0.148 365 HE2 PHE 50 HE2 PHE 50 6.915 -6.545 -0.578 366 HZ PHE 50 HZ PHE 50 4.902 -6.826 0.805 367 H GLU 51 H GLU 51 6.375 -4.039 -5.907 368 HA GLU 51 HA GLU 51 7.248 -6.851 -6.067 369 HB2 GLU 51 1HB GLU 51 6.904 -5.793 -8.286 370 HB3 GLU 51 2HB GLU 51 8.042 -4.530 -7.839 371 HG2 GLU 51 1HG GLU 51 9.794 -6.253 -7.601 372 HG3 GLU 51 2HG GLU 51 8.644 -7.455 -8.184 373 H ILE 52 H ILE 52 8.798 -7.242 -4.604 374 HA ILE 52 HA ILE 52 9.992 -5.069 -3.188 375 HB ILE 52 HB ILE 52 10.671 -8.003 -3.005 376 HG12 ILE 52 1HG1 ILE 52 8.796 -6.319 -1.340 377 HG13 ILE 52 2HG1 ILE 52 8.292 -7.500 -2.541 378 HG21 ILE 52 1HG2 ILE 52 11.596 -7.422 -0.818 379 HG22 ILE 52 2HG2 ILE 52 11.200 -5.726 -1.096 380 HG23 ILE 52 3HG2 ILE 52 12.409 -6.524 -2.102 381 HD11 ILE 52 1HD1 ILE 52 9.802 -8.074 -0.006 382 HD12 ILE 52 2HD1 ILE 52 9.340 -9.271 -1.217 383 HD13 ILE 52 3HD1 ILE 52 8.097 -8.405 -0.313 384 H GLY 53 H GLY 53 11.827 -4.108 -3.488 385 HA2 GLY 53 1HA GLY 53 13.947 -5.444 -5.022 386 HA3 GLY 53 2HA GLY 53 13.464 -3.804 -5.444 387 H GLU 54 H GLU 54 15.752 -3.335 -4.951 388 HA GLU 54 HA GLU 54 16.228 -3.209 -2.063 389 HB2 GLU 54 1HB GLU 54 18.602 -2.937 -2.618 390 HB3 GLU 54 2HB GLU 54 17.940 -4.427 -3.268 391 HG2 GLU 54 1HG GLU 54 17.758 -3.377 -5.469 392 HG3 GLU 54 2HG GLU 54 18.452 -1.897 -4.810 393 H GLY 55 H GLY 55 16.178 -1.345 -1.068 394 HA2 GLY 55 1HA GLY 55 16.265 1.111 -2.702 395 HA3 GLY 55 2HA GLY 55 15.341 0.943 -1.215 396 H ALA 56 H ALA 56 16.498 2.883 -0.559 397 HA ALA 56 HA ALA 56 19.309 2.835 -0.166 398 HB1 ALA 56 1HB ALA 56 18.028 4.917 -0.374 399 HB2 ALA 56 2HB ALA 56 18.979 4.873 1.111 400 HB3 ALA 56 3HB ALA 56 17.242 4.575 1.168 401 H LYS 57 H LYS 57 16.567 1.866 1.771 402 HA LYS 57 HA LYS 57 18.408 1.099 3.931 403 HB2 LYS 57 1HB LYS 57 15.554 2.052 4.187 404 HB3 LYS 57 2HB LYS 57 16.536 1.450 5.512 405 HG2 LYS 57 1HG LYS 57 18.126 3.294 5.135 406 HG3 LYS 57 2HG LYS 57 17.061 3.918 3.873 407 HD2 LYS 57 1HD LYS 57 15.261 4.150 5.531 408 HD3 LYS 57 2HD LYS 57 16.354 3.560 6.784 409 HE2 LYS 57 1HE LYS 57 16.735 6.057 5.134 410 HE3 LYS 57 2HE LYS 57 16.183 6.005 6.807 411 HZ1 LYS 57 1HZ LYS 57 18.509 6.517 6.743 412 HZ2 LYS 57 2HZ LYS 57 18.844 5.164 5.792 413 HZ3 LYS 57 3HZ LYS 57 18.325 4.964 7.391 414 H GLY 58 H GLY 58 18.213 -0.754 2.118 415 HA2 GLY 58 1HA GLY 58 17.946 -3.079 2.312 416 HA3 GLY 58 2HA GLY 58 16.686 -2.809 3.506 417 HA PRO 59 HA PRO 59 14.571 -4.209 -0.339 418 HB2 PRO 59 1HB PRO 59 12.483 -5.346 1.007 419 HB3 PRO 59 2HB PRO 59 13.982 -6.192 0.627 420 HG2 PRO 59 1HG PRO 59 13.150 -4.865 3.171 421 HG3 PRO 59 2HG PRO 59 13.959 -6.425 2.938 422 HD2 PRO 59 1HD PRO 59 15.321 -4.233 3.677 423 HD3 PRO 59 2HD PRO 59 16.029 -5.441 2.585 424 H GLN 60 H GLN 60 13.138 -3.039 -1.405 425 HA GLN 60 HA GLN 60 11.324 -1.313 0.143 426 HB2 GLN 60 1HB GLN 60 11.565 0.427 -1.525 427 HB3 GLN 60 2HB GLN 60 13.145 0.012 -0.875 428 HG2 GLN 60 1HG GLN 60 13.755 -1.156 -2.829 429 HG3 GLN 60 2HG GLN 60 12.101 -1.158 -3.431 430 HE21 GLN 60 1HE2 GLN 60 11.659 1.622 -2.685 431 HE22 GLN 60 2HE2 GLN 60 12.505 2.572 -3.851 432 H ALA 61 H ALA 61 9.297 -0.996 -0.671 433 HA ALA 61 HA ALA 61 8.310 -2.975 -2.519 434 HB1 ALA 61 1HB ALA 61 6.905 -0.676 -1.155 435 HB2 ALA 61 2HB ALA 61 6.976 -2.340 -0.574 436 HB3 ALA 61 3HB ALA 61 6.119 -1.963 -2.070 437 H GLN 62 H GLN 62 8.566 -2.706 -4.614 438 HA GLN 62 HA GLN 62 8.537 0.011 -5.737 439 HB2 GLN 62 1HB GLN 62 9.507 -2.574 -6.957 440 HB3 GLN 62 2HB GLN 62 9.657 -0.975 -7.672 441 HG2 GLN 62 1HG GLN 62 11.250 -0.294 -6.103 442 HG3 GLN 62 2HG GLN 62 10.863 -1.618 -5.009 443 HE21 GLN 62 1HE2 GLN 62 10.804 -3.612 -7.090 444 HE22 GLN 62 2HE2 GLN 62 12.440 -3.897 -7.549 445 H GLN 63 H GLN 63 7.186 0.454 -7.509 446 HA GLN 63 HA GLN 63 5.154 0.454 -8.524 447 HB2 GLN 63 1HB GLN 63 5.883 -2.459 -8.816 448 HB3 GLN 63 2HB GLN 63 4.463 -1.751 -9.564 449 HG2 GLN 63 1HG GLN 63 6.011 -1.740 -11.271 450 HG3 GLN 63 2HG GLN 63 6.113 -0.101 -10.635 451 HE21 GLN 63 1HE2 GLN 63 7.979 0.568 -9.629 452 HE22 GLN 63 2HE2 GLN 63 9.437 -0.357 -9.638 453 H VAL 64 H VAL 64 4.614 0.820 -6.122 454 HA VAL 64 HA VAL 64 3.337 -1.386 -4.771 455 HB VAL 64 HB VAL 64 3.186 1.449 -3.823 456 HG11 VAL 64 1HG1 VAL 64 3.419 -1.214 -2.455 457 HG12 VAL 64 2HG1 VAL 64 2.008 -0.159 -2.518 458 HG13 VAL 64 3HG1 VAL 64 3.445 0.340 -1.625 459 HG21 VAL 64 1HG2 VAL 64 5.495 1.194 -4.505 460 HG22 VAL 64 2HG2 VAL 64 5.611 -0.327 -3.619 461 HG23 VAL 64 3HG2 VAL 64 5.382 1.189 -2.745 462 H HIS 65 H HIS 65 1.487 -1.961 -5.739 463 HA HIS 65 HA HIS 65 -0.481 0.075 -6.487 464 HB2 HIS 65 1HB HIS 65 -0.482 -2.922 -6.900 465 HB3 HIS 65 2HB HIS 65 -1.736 -1.831 -7.460 466 HD1 HIS 65 HD1 HIS 65 -1.285 -0.513 -9.611 467 HD2 HIS 65 HD2 HIS 65 1.923 -2.849 -8.371 468 HE1 HIS 65 HE1 HIS 65 0.301 -0.572 -11.559 469 HE2 HIS 65 HE2 HIS 65 2.291 -1.886 -10.746 470 H ALA 66 H ALA 66 -1.989 0.630 -5.052 471 HA ALA 66 HA ALA 66 -2.280 -0.765 -2.590 472 HB1 ALA 66 1HB ALA 66 -3.970 0.893 -2.061 473 HB2 ALA 66 2HB ALA 66 -4.001 1.422 -3.745 474 HB3 ALA 66 3HB ALA 66 -2.550 1.664 -2.772 475 H LEU 67 H LEU 67 -3.691 -2.273 -1.991 476 HA LEU 67 HA LEU 67 -5.569 -3.259 -4.005 477 HB2 LEU 67 1HB LEU 67 -4.578 -4.479 -1.433 478 HB3 LEU 67 2HB LEU 67 -5.726 -5.243 -2.512 479 HG LEU 67 HG LEU 67 -2.856 -4.571 -3.162 480 HD11 LEU 67 1HD1 LEU 67 -4.197 -7.241 -2.778 481 HD12 LEU 67 2HD1 LEU 67 -3.164 -6.446 -1.592 482 HD13 LEU 67 3HD1 LEU 67 -2.496 -6.951 -3.143 483 HD21 LEU 67 1HD2 LEU 67 -3.270 -5.841 -5.235 484 HD22 LEU 67 2HD2 LEU 67 -4.233 -4.367 -5.142 485 HD23 LEU 67 3HD2 LEU 67 -4.980 -5.930 -4.817 486 H GLY 68 H GLY 68 -7.746 -3.336 -3.675 487 HA2 GLY 68 1HA GLY 68 -9.778 -2.883 -2.678 488 HA3 GLY 68 2HA GLY 68 -8.938 -2.676 -1.146 489 H GLY 69 H GLY 69 -8.219 -0.645 -0.534 490 HA2 GLY 69 1HA GLY 69 -7.838 1.644 -0.751 491 HA3 GLY 69 2HA GLY 69 -8.501 1.578 -2.377 492 H GLU 70 H GLU 70 -9.139 3.598 -0.581 493 HA GLU 70 HA GLU 70 -11.728 2.944 0.572 494 HB2 GLU 70 1HB GLU 70 -10.335 5.624 0.510 495 HB3 GLU 70 2HB GLU 70 -11.635 5.121 1.584 496 HG2 GLU 70 1HG GLU 70 -8.842 3.999 1.557 497 HG3 GLU 70 2HG GLU 70 -9.478 5.159 2.720 498 H ASN 71 H ASN 71 -12.254 2.478 -1.868 499 HA ASN 71 HA ASN 71 -12.861 4.881 -3.388 500 HB2 ASN 71 1HB ASN 71 -13.216 1.967 -4.103 501 HB3 ASN 71 2HB ASN 71 -13.540 3.317 -5.183 502 HD21 ASN 71 1HD2 ASN 71 -11.146 1.318 -3.752 503 HD22 ASN 71 2HD2 ASN 71 -9.787 1.971 -4.602 504 H LEU 72 H LEU 72 -14.570 2.277 -1.725 505 HA LEU 72 HA LEU 72 -17.144 3.282 -2.611 506 HB2 LEU 72 1HB LEU 72 -16.286 0.801 -1.908 507 HB3 LEU 72 2HB LEU 72 -17.039 1.315 -0.413 508 HG LEU 72 HG LEU 72 -18.392 1.159 -3.110 509 HD11 LEU 72 1HD1 LEU 72 -17.952 -1.024 -2.144 510 HD12 LEU 72 2HD1 LEU 72 -19.677 -0.655 -2.102 511 HD13 LEU 72 3HD1 LEU 72 -18.711 -0.523 -0.633 512 HD21 LEU 72 1HD2 LEU 72 -19.316 2.981 -1.790 513 HD22 LEU 72 2HD2 LEU 72 -19.528 1.897 -0.415 514 HD23 LEU 72 3HD2 LEU 72 -20.460 1.642 -1.893 515 H TYR 73 H TYR 73 -15.865 5.273 -1.417 516 HA TYR 73 HA TYR 73 -17.540 5.790 0.906 517 HB2 TYR 73 1HB TYR 73 -14.532 6.164 0.881 518 HB3 TYR 73 2HB TYR 73 -15.599 6.881 2.084 519 HD1 TYR 73 HD1 TYR 73 -13.761 3.947 1.127 520 HD2 TYR 73 HD2 TYR 73 -16.983 5.333 3.528 521 HE1 TYR 73 HE1 TYR 73 -13.659 1.877 2.449 522 HE2 TYR 73 HE2 TYR 73 -16.889 3.272 4.862 523 HH TYR 73 HH TYR 73 -16.121 1.027 4.715 524 H PHE 74 H PHE 74 -18.713 7.432 0.176 525 HA PHE 74 HA PHE 74 -17.762 9.112 -1.943 526 HB2 PHE 74 1HB PHE 74 -20.152 8.252 -1.617 527 HB3 PHE 74 2HB PHE 74 -20.315 9.498 -0.386 528 HD1 PHE 74 HD1 PHE 74 -19.601 8.937 -3.965 529 HD2 PHE 74 HD2 PHE 74 -20.792 11.718 -0.977 530 HE1 PHE 74 HE1 PHE 74 -20.176 10.562 -5.716 531 HE2 PHE 74 HE2 PHE 74 -21.370 13.353 -2.722 532 HZ PHE 74 HZ PHE 74 -21.061 12.775 -5.096 533 H GLN 75 H GLN 75 -15.932 9.895 -0.612 534 HA GLN 75 HA GLN 75 -16.738 12.329 0.834 535 HB2 GLN 75 1HB GLN 75 -14.794 12.050 2.310 536 HB3 GLN 75 2HB GLN 75 -15.915 10.703 2.451 537 HG2 GLN 75 1HG GLN 75 -14.476 9.334 1.054 538 HG3 GLN 75 2HG GLN 75 -13.366 10.689 0.851 539 HE21 GLN 75 1HE2 GLN 75 -11.649 9.608 1.768 540 HE22 GLN 75 2HE2 GLN 75 -11.561 9.269 3.461 541 H GLY 76 H GLY 76 -16.004 11.806 -1.977 542 HA2 GLY 76 1HA GLY 76 -13.439 12.624 -2.653 543 HA3 GLY 76 2HA GLY 76 -14.868 12.922 -3.631 544 H HIS 77 H HIS 77 -16.263 14.588 -1.855 545 HA HIS 77 HA HIS 77 -14.422 16.859 -1.540 546 HB2 HIS 77 1HB HIS 77 -16.315 18.384 -2.049 547 HB3 HIS 77 2HB HIS 77 -15.859 17.373 -3.409 548 HD1 HIS 77 HD1 HIS 77 -18.703 18.332 -1.323 549 HD2 HIS 77 HD2 HIS 77 -17.758 15.239 -3.931 550 HE1 HIS 77 HE1 HIS 77 -20.897 17.285 -1.962 551 HE2 HIS 77 HE2 HIS 77 -20.311 15.574 -3.707 552 H HIS 78 H HIS 78 -14.583 15.197 0.441 553 HA HIS 78 HA HIS 78 -14.728 15.177 2.682 554 HB2 HIS 78 1HB HIS 78 -16.044 17.858 2.282 555 HB3 HIS 78 2HB HIS 78 -15.816 17.144 3.874 556 HD1 HIS 78 HD1 HIS 78 -13.602 17.538 4.967 557 HD2 HIS 78 HD2 HIS 78 -13.516 18.356 0.893 558 HE1 HIS 78 HE1 HIS 78 -11.350 18.561 4.532 559 HE2 HIS 78 HE2 HIS 78 -11.259 18.895 2.040 560 H HIS 79 H HIS 79 -17.874 16.794 2.257 561 HA HIS 79 HA HIS 79 -19.172 14.252 2.962 562 HB2 HIS 79 1HB HIS 79 -19.518 16.858 4.459 563 HB3 HIS 79 2HB HIS 79 -20.594 15.480 4.633 564 HD1 HIS 79 HD1 HIS 79 -19.941 13.743 6.316 565 HD2 HIS 79 HD2 HIS 79 -16.821 16.341 5.409 566 HE1 HIS 79 HE1 HIS 79 -18.084 13.168 7.914 567 HE2 HIS 79 HE2 HIS 79 -16.166 14.658 7.259 568 H HIS 80 H HIS 80 -21.244 14.004 2.202 569 HA HIS 80 HA HIS 80 -22.632 16.304 1.085 570 HB2 HIS 80 1HB HIS 80 -21.256 15.274 -0.768 571 HB3 HIS 80 2HB HIS 80 -22.230 13.819 -0.588 572 HD1 HIS 80 HD1 HIS 80 -22.737 17.513 -1.337 573 HD2 HIS 80 HD2 HIS 80 -24.481 13.821 -2.114 574 HE1 HIS 80 HE1 HIS 80 -24.596 17.975 -2.957 575 HE2 HIS 80 HE2 HIS 80 -25.784 15.772 -3.205 576 H HIS 81 H HIS 81 -22.673 12.821 1.750 577 HA HIS 81 HA HIS 81 -25.544 12.715 1.909 578 HB2 HIS 81 1HB HIS 81 -23.359 10.758 2.615 579 HB3 HIS 81 2HB HIS 81 -25.048 10.433 2.983 580 HD1 HIS 81 HD1 HIS 81 -26.298 9.243 1.220 581 HD2 HIS 81 HD2 HIS 81 -22.975 11.221 -0.301 582 HE1 HIS 81 HE1 HIS 81 -26.182 8.602 -1.204 583 HE2 HIS 81 HE2 HIS 81 -24.282 9.960 -2.142 584 H HIS 82 H HIS 82 -22.860 12.723 4.195 585 HA HIS 82 HA HIS 82 -24.444 14.112 6.141 586 HB2 HIS 82 1HB HIS 82 -25.118 11.810 6.646 587 HB3 HIS 82 2HB HIS 82 -23.430 11.327 6.765 588 HD1 HIS 82 HD1 HIS 82 -22.466 11.368 9.043 589 HD2 HIS 82 HD2 HIS 82 -25.816 13.805 8.735 590 HE1 HIS 82 HE1 HIS 82 -22.896 12.220 11.367 591 HE2 HIS 82 HE2 HIS 82 -24.838 13.803 11.130 Start of MODEL 15 1 H2 MET 1 2H MET 1 5.339 -11.190 -8.344 2 H MET 1 1H MET 1 3.797 -10.594 -8.705 3 H3 MET 1 3H MET 1 5.161 -9.929 -9.454 4 HA MET 1 HA MET 1 5.970 -9.124 -7.336 5 HB2 MET 1 1HB MET 1 4.402 -7.317 -7.050 6 HB3 MET 1 2HB MET 1 4.501 -7.698 -8.762 7 HG2 MET 1 1HG MET 1 2.319 -8.677 -6.939 8 HG3 MET 1 2HG MET 1 2.209 -7.225 -7.929 9 HE1 MET 1 1HE MET 1 2.175 -7.208 -10.537 10 HE2 MET 1 2HE MET 1 2.280 -8.647 -11.550 11 HE3 MET 1 3HE MET 1 3.685 -8.116 -10.629 12 H ALA 2 H ALA 2 5.275 -8.503 -5.124 13 HA ALA 2 HA ALA 2 3.967 -10.789 -3.834 14 HB1 ALA 2 1HB ALA 2 5.749 -8.641 -2.677 15 HB2 ALA 2 2HB ALA 2 6.232 -10.291 -3.076 16 HB3 ALA 2 3HB ALA 2 5.066 -10.002 -1.785 17 H GLN 3 H GLN 3 2.851 -10.124 -1.724 18 HA GLN 3 HA GLN 3 1.403 -7.593 -2.002 19 HB2 GLN 3 1HB GLN 3 0.124 -10.276 -1.454 20 HB3 GLN 3 2HB GLN 3 -0.700 -8.727 -1.388 21 HG2 GLN 3 1HG GLN 3 -0.365 -8.398 -3.746 22 HG3 GLN 3 2HG GLN 3 0.588 -9.878 -3.846 23 HE21 GLN 3 1HE2 GLN 3 -2.567 -8.523 -3.575 24 HE22 GLN 3 2HE2 GLN 3 -3.450 -9.981 -3.835 25 H GLY 4 H GLY 4 0.147 -7.182 0.085 26 HA2 GLY 4 1HA GLY 4 0.682 -8.557 2.442 27 HA3 GLY 4 2HA GLY 4 1.953 -7.361 2.251 28 H THR 5 H THR 5 1.280 -6.331 4.104 29 HA THR 5 HA THR 5 -1.069 -4.609 3.718 30 HB THR 5 HB THR 5 -0.264 -5.729 6.403 31 HG1 THR 5 HG1 THR 5 -0.968 -7.452 5.051 32 HG21 THR 5 1HG2 THR 5 -1.567 -3.659 6.431 33 HG22 THR 5 2HG2 THR 5 -2.514 -5.011 7.057 34 HG23 THR 5 3HG2 THR 5 -2.799 -4.417 5.419 35 H VAL 6 H VAL 6 -0.382 -2.559 3.689 36 HA VAL 6 HA VAL 6 2.188 -1.789 4.561 37 HB VAL 6 HB VAL 6 1.391 -0.355 2.935 38 HG11 VAL 6 1HG1 VAL 6 -0.925 -1.039 2.967 39 HG12 VAL 6 2HG1 VAL 6 -0.800 0.719 2.947 40 HG13 VAL 6 3HG1 VAL 6 -1.193 -0.120 4.446 41 HG21 VAL 6 1HG2 VAL 6 0.807 1.085 5.517 42 HG22 VAL 6 2HG2 VAL 6 1.104 1.850 3.955 43 HG23 VAL 6 3HG2 VAL 6 2.388 0.930 4.744 44 H LYS 7 H LYS 7 2.845 -1.769 6.546 45 HA LYS 7 HA LYS 7 1.047 -1.997 8.729 46 HB2 LYS 7 1HB LYS 7 3.090 -2.006 10.110 47 HB3 LYS 7 2HB LYS 7 3.181 -3.134 8.769 48 HG2 LYS 7 1HG LYS 7 4.637 -1.703 7.561 49 HG3 LYS 7 2HG LYS 7 4.393 -0.390 8.712 50 HD2 LYS 7 1HD LYS 7 6.523 -1.426 9.135 51 HD3 LYS 7 2HD LYS 7 5.429 -1.795 10.465 52 HE2 LYS 7 1HE LYS 7 4.956 -3.982 9.367 53 HE3 LYS 7 2HE LYS 7 6.211 -3.603 8.189 54 HZ1 LYS 7 1HZ LYS 7 7.205 -4.938 9.843 55 HZ2 LYS 7 2HZ LYS 7 6.531 -4.023 11.102 56 HZ3 LYS 7 3HZ LYS 7 7.746 -3.360 10.135 57 H TRP 8 H TRP 8 2.883 0.573 7.294 58 HA TRP 8 HA TRP 8 1.123 2.530 8.277 59 HB2 TRP 8 1HB TRP 8 2.587 3.833 9.708 60 HB3 TRP 8 2HB TRP 8 2.429 2.213 10.370 61 HD1 TRP 8 HD1 TRP 8 4.602 0.687 10.416 62 HE1 TRP 8 HE1 TRP 8 7.105 1.236 10.193 63 HE3 TRP 8 HE3 TRP 8 4.225 5.394 8.459 64 HZ2 TRP 8 HZ2 TRP 8 8.707 3.389 9.309 65 HZ3 TRP 8 HZ3 TRP 8 6.291 6.628 7.956 66 HH2 TRP 8 HH2 TRP 8 8.481 5.644 8.372 67 H PHE 9 H PHE 9 1.420 4.498 7.222 68 HA PHE 9 HA PHE 9 3.793 4.824 5.579 69 HB2 PHE 9 1HB PHE 9 2.150 3.580 4.178 70 HB3 PHE 9 2HB PHE 9 1.029 4.926 4.362 71 HD1 PHE 9 HD1 PHE 9 1.363 6.993 3.177 72 HD2 PHE 9 HD2 PHE 9 4.165 3.810 2.856 73 HE1 PHE 9 HE1 PHE 9 2.396 8.106 1.243 74 HE2 PHE 9 HE2 PHE 9 5.204 4.916 0.920 75 HZ PHE 9 HZ PHE 9 4.321 7.068 0.114 76 H ASN 10 H ASN 10 4.489 6.746 6.096 77 HA ASN 10 HA ASN 10 2.640 8.834 6.910 78 HB2 ASN 10 1HB ASN 10 4.779 8.457 8.142 79 HB3 ASN 10 2HB ASN 10 5.660 8.910 6.690 80 HD21 ASN 10 1HD2 ASN 10 5.566 10.110 9.385 81 HD22 ASN 10 2HD2 ASN 10 5.161 11.772 9.117 82 H ALA 11 H ALA 11 1.599 9.660 5.214 83 HA ALA 11 HA ALA 11 2.634 9.778 2.591 84 HB1 ALA 11 1HB ALA 11 0.301 11.266 3.778 85 HB2 ALA 11 2HB ALA 11 0.244 9.654 3.067 86 HB3 ALA 11 3HB ALA 11 0.626 11.048 2.057 87 H GLU 12 H GLU 12 2.702 12.013 5.264 88 HA GLU 12 HA GLU 12 3.245 14.381 3.834 89 HB2 GLU 12 1HB GLU 12 4.249 13.672 6.590 90 HB3 GLU 12 2HB GLU 12 4.053 15.284 5.922 91 HG2 GLU 12 1HG GLU 12 1.604 14.853 5.793 92 HG3 GLU 12 2HG GLU 12 1.886 13.339 6.651 93 H LYS 13 H LYS 13 5.290 11.891 5.226 94 HA LYS 13 HA LYS 13 7.719 13.156 4.305 95 HB2 LYS 13 1HB LYS 13 7.261 10.437 5.533 96 HB3 LYS 13 2HB LYS 13 8.824 11.194 5.273 97 HG2 LYS 13 1HG LYS 13 6.653 12.227 7.073 98 HG3 LYS 13 2HG LYS 13 8.102 11.365 7.588 99 HD2 LYS 13 1HD LYS 13 9.469 13.167 6.581 100 HD3 LYS 13 2HD LYS 13 7.981 14.037 6.210 101 HE2 LYS 13 1HE LYS 13 7.434 14.168 8.564 102 HE3 LYS 13 2HE LYS 13 8.866 13.224 8.970 103 HZ1 LYS 13 1HZ LYS 13 8.869 15.901 7.690 104 HZ2 LYS 13 2HZ LYS 13 10.242 14.997 8.082 105 HZ3 LYS 13 3HZ LYS 13 9.238 15.581 9.309 106 H GLY 14 H GLY 14 5.568 10.600 3.373 107 HA2 GLY 14 1HA GLY 14 5.230 9.913 1.158 108 HA3 GLY 14 2HA GLY 14 6.799 10.578 0.731 109 H PHE 15 H PHE 15 6.620 8.553 3.537 110 HA PHE 15 HA PHE 15 7.290 6.190 1.998 111 HB2 PHE 15 1HB PHE 15 9.417 5.789 2.976 112 HB3 PHE 15 2HB PHE 15 9.442 7.438 2.372 113 HD1 PHE 15 HD1 PHE 15 9.529 9.321 3.913 114 HD2 PHE 15 HD2 PHE 15 9.503 5.310 5.333 115 HE1 PHE 15 HE1 PHE 15 10.309 10.093 6.117 116 HE2 PHE 15 HE2 PHE 15 10.278 6.076 7.533 117 HZ PHE 15 HZ PHE 15 10.682 8.470 7.928 118 H GLY 16 H GLY 16 7.597 4.272 3.411 119 HA2 GLY 16 1HA GLY 16 6.666 4.276 6.093 120 HA3 GLY 16 2HA GLY 16 5.364 3.844 4.992 121 H PHE 17 H PHE 17 5.357 1.761 6.036 122 HA PHE 17 HA PHE 17 7.292 -0.025 4.750 123 HB2 PHE 17 1HB PHE 17 6.771 0.168 7.690 124 HB3 PHE 17 2HB PHE 17 7.148 -1.396 6.980 125 HD1 PHE 17 HD1 PHE 17 8.436 1.874 7.899 126 HD2 PHE 17 HD2 PHE 17 9.331 -1.824 6.005 127 HE1 PHE 17 HE1 PHE 17 10.837 2.390 8.041 128 HE2 PHE 17 HE2 PHE 17 11.733 -1.319 6.138 129 HZ PHE 17 HZ PHE 17 12.490 0.791 7.162 130 H ILE 18 H ILE 18 6.544 -2.041 4.290 131 HA ILE 18 HA ILE 18 3.717 -2.579 4.887 132 HB ILE 18 HB ILE 18 5.312 -3.366 2.449 133 HG12 ILE 18 1HG1 ILE 18 2.764 -1.778 2.558 134 HG13 ILE 18 2HG1 ILE 18 4.350 -1.021 2.611 135 HG21 ILE 18 1HG2 ILE 18 3.901 -5.216 3.069 136 HG22 ILE 18 2HG2 ILE 18 3.237 -4.422 1.638 137 HG23 ILE 18 3HG2 ILE 18 2.509 -4.141 3.220 138 HD11 ILE 18 1HD1 ILE 18 3.308 -2.766 0.394 139 HD12 ILE 18 2HD1 ILE 18 4.883 -1.971 0.438 140 HD13 ILE 18 3HD1 ILE 18 3.408 -1.004 0.365 141 H ALA 19 H ALA 19 3.195 -4.559 5.655 142 HA ALA 19 HA ALA 19 5.397 -6.434 6.156 143 HB1 ALA 19 1HB ALA 19 3.859 -7.539 7.704 144 HB2 ALA 19 2HB ALA 19 2.581 -6.408 7.254 145 HB3 ALA 19 3HB ALA 19 4.019 -5.826 8.095 146 HA PRO 20 HA PRO 20 3.727 -8.166 2.250 147 HB2 PRO 20 1HB PRO 20 6.075 -9.888 2.855 148 HB3 PRO 20 2HB PRO 20 5.588 -9.152 1.328 149 HG2 PRO 20 1HG PRO 20 7.601 -8.134 2.731 150 HG3 PRO 20 2HG PRO 20 6.447 -7.076 1.902 151 HD2 PRO 20 1HD PRO 20 6.685 -7.723 4.792 152 HD3 PRO 20 2HD PRO 20 6.203 -6.208 4.012 153 H ASP 21 H ASP 21 2.546 -9.963 1.872 154 HA ASP 21 HA ASP 21 1.710 -11.526 4.120 155 HB2 ASP 21 1HB ASP 21 0.197 -10.841 2.253 156 HB3 ASP 21 2HB ASP 21 1.082 -11.924 1.186 157 H ASP 22 H ASP 22 4.244 -11.685 1.976 158 HA ASP 22 HA ASP 22 4.512 -14.536 1.777 159 HB2 ASP 22 1HB ASP 22 5.323 -12.713 0.117 160 HB3 ASP 22 2HB ASP 22 6.707 -12.573 1.192 161 H GLY 23 H GLY 23 4.467 -13.184 4.452 162 HA2 GLY 23 1HA GLY 23 5.395 -14.223 6.401 163 HA3 GLY 23 2HA GLY 23 6.881 -14.487 5.506 164 H SER 24 H SER 24 5.630 -11.437 4.948 165 HA SER 24 HA SER 24 6.143 -9.337 5.582 166 HB2 SER 24 1HB SER 24 6.166 -10.616 8.314 167 HB3 SER 24 2HB SER 24 6.069 -8.883 8.004 168 HG SER 24 HG SER 24 4.213 -10.655 6.830 169 H ALA 25 H ALA 25 8.218 -9.473 4.466 170 HA ALA 25 HA ALA 25 10.578 -9.729 6.112 171 HB1 ALA 25 1HB ALA 25 10.319 -8.796 3.259 172 HB2 ALA 25 2HB ALA 25 10.622 -10.454 3.776 173 HB3 ALA 25 3HB ALA 25 11.821 -9.200 4.089 174 H ASP 26 H ASP 26 8.351 -7.477 6.073 175 HA ASP 26 HA ASP 26 8.147 -5.272 6.545 176 HB2 ASP 26 1HB ASP 26 10.989 -5.517 7.542 177 HB3 ASP 26 2HB ASP 26 9.847 -4.243 7.953 178 H VAL 27 H VAL 27 8.049 -4.829 4.286 179 HA VAL 27 HA VAL 27 10.516 -4.005 2.988 180 HB VAL 27 HB VAL 27 8.935 -5.485 1.802 181 HG11 VAL 27 1HG1 VAL 27 6.847 -4.631 2.642 182 HG12 VAL 27 2HG1 VAL 27 6.870 -4.557 0.879 183 HG13 VAL 27 3HG1 VAL 27 7.126 -3.090 1.829 184 HG21 VAL 27 1HG2 VAL 27 10.482 -4.129 0.537 185 HG22 VAL 27 2HG2 VAL 27 9.334 -2.790 0.533 186 HG23 VAL 27 3HG2 VAL 27 8.951 -4.286 -0.323 187 H PHE 28 H PHE 28 11.028 -1.983 2.446 188 HA PHE 28 HA PHE 28 9.642 0.165 3.783 189 HB2 PHE 28 1HB PHE 28 12.089 0.057 3.772 190 HB3 PHE 28 2HB PHE 28 12.098 0.130 2.015 191 HD1 PHE 28 HD1 PHE 28 11.784 2.202 0.855 192 HD2 PHE 28 HD2 PHE 28 11.547 2.029 5.100 193 HE1 PHE 28 HE1 PHE 28 11.931 4.655 0.958 194 HE2 PHE 28 HE2 PHE 28 11.688 4.483 5.209 195 HZ PHE 28 HZ PHE 28 11.880 5.797 3.137 196 H VAL 29 H VAL 29 8.299 1.631 2.867 197 HA VAL 29 HA VAL 29 7.840 1.363 -0.030 198 HB VAL 29 HB VAL 29 5.951 2.849 1.729 199 HG11 VAL 29 1HG1 VAL 29 4.310 2.022 0.131 200 HG12 VAL 29 2HG1 VAL 29 5.564 1.087 -0.682 201 HG13 VAL 29 3HG1 VAL 29 5.634 2.850 -0.688 202 HG21 VAL 29 1HG2 VAL 29 4.742 0.833 2.283 203 HG22 VAL 29 2HG2 VAL 29 6.378 0.779 2.941 204 HG23 VAL 29 3HG2 VAL 29 5.978 -0.147 1.493 205 H HIS 30 H HIS 30 7.880 3.112 -1.345 206 HA HIS 30 HA HIS 30 8.293 5.753 -0.153 207 HB2 HIS 30 1HB HIS 30 10.496 4.821 -0.827 208 HB3 HIS 30 2HB HIS 30 9.890 4.625 -2.468 209 HD1 HIS 30 HD1 HIS 30 10.687 6.394 -3.951 210 HD2 HIS 30 HD2 HIS 30 10.169 7.774 -0.057 211 HE1 HIS 30 HE1 HIS 30 11.355 8.826 -3.992 212 HE2 HIS 30 HE2 HIS 30 10.935 9.665 -1.653 213 H TYR 31 H TYR 31 7.145 7.317 -1.120 214 HA TYR 31 HA TYR 31 4.836 6.552 -2.433 215 HB2 TYR 31 1HB TYR 31 4.245 8.857 -2.532 216 HB3 TYR 31 2HB TYR 31 5.150 8.609 -1.046 217 HD1 TYR 31 HD1 TYR 31 4.958 10.415 -4.146 218 HD2 TYR 31 HD2 TYR 31 7.564 9.335 -0.967 219 HE1 TYR 31 HE1 TYR 31 6.474 12.241 -4.776 220 HE2 TYR 31 HE2 TYR 31 9.087 11.157 -1.585 221 HH TYR 31 HH TYR 31 9.633 12.491 -3.596 222 H SER 32 H SER 32 7.844 7.649 -3.859 223 HA SER 32 HA SER 32 6.780 8.287 -6.407 224 HB2 SER 32 1HB SER 32 9.599 7.412 -5.746 225 HB3 SER 32 2HB SER 32 9.081 8.357 -7.144 226 HG SER 32 HG SER 32 8.902 10.101 -5.929 227 H GLU 33 H GLU 33 7.530 5.328 -4.842 228 HA GLU 33 HA GLU 33 7.641 3.832 -7.334 229 HB2 GLU 33 1HB GLU 33 8.117 3.153 -4.452 230 HB3 GLU 33 2HB GLU 33 7.861 1.884 -5.637 231 HG2 GLU 33 1HG GLU 33 10.244 2.366 -5.171 232 HG3 GLU 33 2HG GLU 33 9.798 2.529 -6.866 233 H ILE 34 H ILE 34 5.348 4.926 -5.153 234 HA ILE 34 HA ILE 34 3.530 2.719 -5.355 235 HB ILE 34 HB ILE 34 3.039 5.553 -4.442 236 HG12 ILE 34 1HG1 ILE 34 3.513 3.022 -2.859 237 HG13 ILE 34 2HG1 ILE 34 4.646 4.356 -3.029 238 HG21 ILE 34 1HG2 ILE 34 0.990 4.674 -3.422 239 HG22 ILE 34 2HG2 ILE 34 1.309 3.102 -4.156 240 HG23 ILE 34 3HG2 ILE 34 0.976 4.501 -5.178 241 HD11 ILE 34 1HD1 ILE 34 3.072 5.828 -1.880 242 HD12 ILE 34 2HD1 ILE 34 3.516 4.437 -0.890 243 HD13 ILE 34 3HD1 ILE 34 1.952 4.480 -1.704 244 H GLN 35 H GLN 35 1.971 2.400 -6.767 245 HA GLN 35 HA GLN 35 1.658 4.334 -8.965 246 HB2 GLN 35 1HB GLN 35 1.068 1.367 -8.935 247 HB3 GLN 35 2HB GLN 35 1.001 2.432 -10.333 248 HG2 GLN 35 1HG GLN 35 3.491 1.847 -8.762 249 HG3 GLN 35 2HG GLN 35 3.020 1.003 -10.235 250 HE21 GLN 35 1HE2 GLN 35 5.368 2.642 -9.643 251 HE22 GLN 35 2HE2 GLN 35 5.382 3.886 -10.842 252 H GLY 36 H GLY 36 0.040 5.568 -7.967 253 HA2 GLY 36 1HA GLY 36 -2.355 4.108 -7.068 254 HA3 GLY 36 2HA GLY 36 -1.866 5.687 -6.477 255 H ASN 37 H ASN 37 -4.049 6.304 -6.935 256 HA ASN 37 HA ASN 37 -4.719 6.604 -9.769 257 HB2 ASN 37 1HB ASN 37 -6.981 7.243 -8.895 258 HB3 ASN 37 2HB ASN 37 -6.482 5.612 -8.467 259 HD21 ASN 37 1HD2 ASN 37 -7.763 5.421 -6.699 260 HD22 ASN 37 2HD2 ASN 37 -7.540 6.351 -5.251 261 H GLY 38 H GLY 38 -2.655 8.192 -8.961 262 HA2 GLY 38 1HA GLY 38 -2.258 10.504 -9.469 263 HA3 GLY 38 2HA GLY 38 -3.870 10.874 -8.864 264 H PHE 39 H PHE 39 -3.639 9.222 -6.525 265 HA PHE 39 HA PHE 39 -1.750 10.817 -4.946 266 HB2 PHE 39 1HB PHE 39 -4.213 9.251 -4.200 267 HB3 PHE 39 2HB PHE 39 -3.041 9.758 -2.991 268 HD1 PHE 39 HD1 PHE 39 -5.716 10.817 -5.210 269 HD2 PHE 39 HD2 PHE 39 -2.696 12.132 -2.514 270 HE1 PHE 39 HE1 PHE 39 -6.812 13.013 -5.059 271 HE2 PHE 39 HE2 PHE 39 -3.790 14.328 -2.354 272 HZ PHE 39 HZ PHE 39 -5.850 14.772 -3.629 273 H ARG 40 H ARG 40 0.166 9.869 -4.804 274 HA ARG 40 HA ARG 40 0.382 6.973 -4.808 275 HB2 ARG 40 1HB ARG 40 2.507 9.116 -4.680 276 HB3 ARG 40 2HB ARG 40 2.810 7.395 -4.860 277 HG2 ARG 40 1HG ARG 40 1.534 7.447 -6.988 278 HG3 ARG 40 2HG ARG 40 1.409 9.199 -6.819 279 HD2 ARG 40 1HD ARG 40 3.869 9.344 -6.802 280 HD3 ARG 40 2HD ARG 40 3.953 7.599 -7.046 281 HE ARG 40 HE ARG 40 2.683 9.412 -8.997 282 HH11 ARG 40 1HH1 ARG 40 4.772 6.710 -8.240 283 HH12 ARG 40 2HH1 ARG 40 5.196 6.412 -9.894 284 HH21 ARG 40 1HH2 ARG 40 3.218 9.000 -11.182 285 HH22 ARG 40 2HH2 ARG 40 4.298 7.697 -11.569 286 H THR 41 H THR 41 -0.890 7.005 -2.756 287 HA THR 41 HA THR 41 0.887 7.254 -0.436 288 HB THR 41 HB THR 41 -1.076 8.183 0.854 289 HG1 THR 41 HG1 THR 41 -2.409 7.641 -1.274 290 HG21 THR 41 1HG2 THR 41 -0.003 9.882 -1.399 291 HG22 THR 41 2HG2 THR 41 0.788 9.606 0.154 292 HG23 THR 41 3HG2 THR 41 -0.740 10.485 0.086 293 H LEU 42 H LEU 42 0.251 5.998 1.385 294 HA LEU 42 HA LEU 42 -1.725 3.898 0.819 295 HB2 LEU 42 1HB LEU 42 0.996 3.643 2.086 296 HB3 LEU 42 2HB LEU 42 -0.231 2.402 2.211 297 HG LEU 42 HG LEU 42 1.020 3.369 -0.352 298 HD11 LEU 42 1HD1 LEU 42 2.529 2.072 1.106 299 HD12 LEU 42 2HD1 LEU 42 2.145 1.250 -0.404 300 HD13 LEU 42 3HD1 LEU 42 1.358 0.752 1.092 301 HD21 LEU 42 1HD2 LEU 42 -1.005 1.209 0.203 302 HD22 LEU 42 2HD2 LEU 42 -0.140 1.396 -1.323 303 HD23 LEU 42 3HD2 LEU 42 -1.234 2.664 -0.770 304 H GLU 43 H GLU 43 -2.426 2.782 2.856 305 HA GLU 43 HA GLU 43 -2.755 4.759 5.010 306 HB2 GLU 43 1HB GLU 43 -4.701 2.713 3.938 307 HB3 GLU 43 2HB GLU 43 -4.972 3.656 5.395 308 HG2 GLU 43 1HG GLU 43 -4.494 4.899 2.705 309 HG3 GLU 43 2HG GLU 43 -6.099 4.483 3.305 310 H GLU 44 H GLU 44 -2.716 4.012 7.116 311 HA GLU 44 HA GLU 44 -0.992 1.873 7.655 312 HB2 GLU 44 1HB GLU 44 -1.377 3.871 9.102 313 HB3 GLU 44 2HB GLU 44 -2.928 3.189 9.555 314 HG2 GLU 44 1HG GLU 44 -1.704 1.196 10.410 315 HG3 GLU 44 2HG GLU 44 -0.206 2.074 10.127 316 H ASN 45 H ASN 45 -1.320 -0.200 7.829 317 HA ASN 45 HA ASN 45 -2.240 -2.234 8.119 318 HB2 ASN 45 1HB ASN 45 -4.400 -0.658 9.501 319 HB3 ASN 45 2HB ASN 45 -4.459 -2.408 9.346 320 HD21 ASN 45 1HD2 ASN 45 -3.113 0.254 10.994 321 HD22 ASN 45 2HD2 ASN 45 -2.150 -0.634 12.117 322 H GLN 46 H GLN 46 -2.650 -0.666 5.740 323 HA GLN 46 HA GLN 46 -5.211 -1.711 4.761 324 HB2 GLN 46 1HB GLN 46 -4.677 0.681 4.372 325 HB3 GLN 46 2HB GLN 46 -3.265 0.192 3.452 326 HG2 GLN 46 1HG GLN 46 -4.695 -0.923 1.830 327 HG3 GLN 46 2HG GLN 46 -6.118 -0.440 2.750 328 HE21 GLN 46 1HE2 GLN 46 -3.545 0.606 0.699 329 HE22 GLN 46 2HE2 GLN 46 -4.208 2.152 0.309 330 H LYS 47 H LYS 47 -5.288 -3.096 2.973 331 HA LYS 47 HA LYS 47 -2.992 -4.757 2.613 332 HB2 LYS 47 1HB LYS 47 -5.675 -4.709 1.236 333 HB3 LYS 47 2HB LYS 47 -4.433 -5.911 0.917 334 HG2 LYS 47 1HG LYS 47 -5.723 -5.418 3.590 335 HG3 LYS 47 2HG LYS 47 -6.149 -6.715 2.478 336 HD2 LYS 47 1HD LYS 47 -3.380 -6.332 3.602 337 HD3 LYS 47 2HD LYS 47 -4.600 -7.359 4.355 338 HE2 LYS 47 1HE LYS 47 -3.631 -7.682 1.520 339 HE3 LYS 47 2HE LYS 47 -2.983 -8.573 2.891 340 HZ1 LYS 47 1HZ LYS 47 -4.682 -9.818 1.664 341 HZ2 LYS 47 2HZ LYS 47 -5.822 -8.628 2.032 342 HZ3 LYS 47 3HZ LYS 47 -5.134 -9.545 3.271 343 H VAL 48 H VAL 48 -1.826 -5.096 0.692 344 HA VAL 48 HA VAL 48 -2.013 -3.102 -1.395 345 HB VAL 48 HB VAL 48 -0.875 -1.927 0.442 346 HG11 VAL 48 1HG1 VAL 48 1.221 -4.065 0.150 347 HG12 VAL 48 2HG1 VAL 48 0.134 -3.850 1.523 348 HG13 VAL 48 3HG1 VAL 48 1.349 -2.621 1.157 349 HG21 VAL 48 1HG2 VAL 48 -0.349 -1.308 -1.842 350 HG22 VAL 48 2HG2 VAL 48 0.910 -2.539 -1.904 351 HG23 VAL 48 3HG2 VAL 48 1.078 -1.160 -0.818 352 H GLU 49 H GLU 49 -0.686 -3.521 -3.159 353 HA GLU 49 HA GLU 49 0.664 -6.135 -3.217 354 HB2 GLU 49 1HB GLU 49 -1.424 -6.178 -4.472 355 HB3 GLU 49 2HB GLU 49 -0.960 -4.729 -5.343 356 HG2 GLU 49 1HG GLU 49 0.834 -5.921 -6.430 357 HG3 GLU 49 2HG GLU 49 0.451 -7.377 -5.508 358 H PHE 50 H PHE 50 2.711 -6.148 -4.242 359 HA PHE 50 HA PHE 50 3.778 -3.768 -5.457 360 HB2 PHE 50 1HB PHE 50 5.426 -3.338 -3.602 361 HB3 PHE 50 2HB PHE 50 3.760 -2.941 -3.197 362 HD1 PHE 50 HD1 PHE 50 2.456 -4.438 -1.730 363 HD2 PHE 50 HD2 PHE 50 6.613 -5.033 -2.419 364 HE1 PHE 50 HE1 PHE 50 2.561 -5.913 0.225 365 HE2 PHE 50 HE2 PHE 50 6.721 -6.510 -0.456 366 HZ PHE 50 HZ PHE 50 4.697 -6.952 0.865 367 H GLU 51 H GLU 51 6.114 -3.965 -5.898 368 HA GLU 51 HA GLU 51 6.998 -6.774 -5.886 369 HB2 GLU 51 1HB GLU 51 6.848 -5.793 -8.134 370 HB3 GLU 51 2HB GLU 51 7.923 -4.488 -7.641 371 HG2 GLU 51 1HG GLU 51 9.715 -6.090 -7.265 372 HG3 GLU 51 2HG GLU 51 8.643 -7.409 -7.723 373 H ILE 52 H ILE 52 8.608 -7.287 -4.560 374 HA ILE 52 HA ILE 52 9.788 -5.216 -2.957 375 HB ILE 52 HB ILE 52 10.297 -8.190 -2.926 376 HG12 ILE 52 1HG1 ILE 52 8.573 -6.452 -1.157 377 HG13 ILE 52 2HG1 ILE 52 7.971 -7.548 -2.394 378 HG21 ILE 52 1HG2 ILE 52 12.151 -6.898 -1.989 379 HG22 ILE 52 2HG2 ILE 52 11.288 -7.787 -0.730 380 HG23 ILE 52 3HG2 ILE 52 11.022 -6.055 -0.929 381 HD11 ILE 52 1HD1 ILE 52 8.888 -9.440 -1.162 382 HD12 ILE 52 2HD1 ILE 52 7.755 -8.509 -0.180 383 HD13 ILE 52 3HD1 ILE 52 9.491 -8.338 0.076 384 H GLY 53 H GLY 53 11.404 -4.068 -3.670 385 HA2 GLY 53 1HA GLY 53 13.562 -5.412 -5.173 386 HA3 GLY 53 2HA GLY 53 13.185 -3.695 -5.288 387 H GLU 54 H GLU 54 15.550 -3.552 -4.795 388 HA GLU 54 HA GLU 54 16.091 -3.944 -1.937 389 HB2 GLU 54 1HB GLU 54 17.605 -4.987 -3.665 390 HB3 GLU 54 2HB GLU 54 18.084 -3.361 -4.123 391 HG2 GLU 54 1HG GLU 54 19.714 -4.352 -2.636 392 HG3 GLU 54 2HG GLU 54 18.930 -2.969 -1.868 393 H GLY 55 H GLY 55 16.619 -2.260 -0.636 394 HA2 GLY 55 1HA GLY 55 16.575 0.420 -1.875 395 HA3 GLY 55 2HA GLY 55 15.730 0.055 -0.379 396 H ALA 56 H ALA 56 16.936 1.811 0.523 397 HA ALA 56 HA ALA 56 19.750 1.886 0.606 398 HB1 ALA 56 1HB ALA 56 17.795 3.147 2.521 399 HB2 ALA 56 2HB ALA 56 18.312 3.840 0.985 400 HB3 ALA 56 3HB ALA 56 19.481 3.609 2.284 401 H LYS 57 H LYS 57 17.449 1.016 3.198 402 HA LYS 57 HA LYS 57 19.681 -0.246 4.624 403 HB2 LYS 57 1HB LYS 57 18.517 1.481 5.878 404 HB3 LYS 57 2HB LYS 57 16.979 0.680 5.610 405 HG2 LYS 57 1HG LYS 57 17.787 0.295 7.865 406 HG3 LYS 57 2HG LYS 57 17.720 -1.215 6.953 407 HD2 LYS 57 1HD LYS 57 20.136 -1.038 6.521 408 HD3 LYS 57 2HD LYS 57 20.187 0.441 7.480 409 HE2 LYS 57 1HE LYS 57 19.342 -2.270 8.492 410 HE3 LYS 57 2HE LYS 57 20.924 -1.538 8.748 411 HZ1 LYS 57 1HZ LYS 57 19.813 0.287 9.926 412 HZ2 LYS 57 2HZ LYS 57 19.548 -1.209 10.668 413 HZ3 LYS 57 3HZ LYS 57 18.325 -0.501 9.742 414 H GLY 58 H GLY 58 16.618 -0.866 3.134 415 HA2 GLY 58 1HA GLY 58 17.060 -3.719 3.376 416 HA3 GLY 58 2HA GLY 58 15.621 -3.112 4.185 417 HA PRO 59 HA PRO 59 14.538 -4.152 -0.233 418 HB2 PRO 59 1HB PRO 59 12.158 -5.303 0.458 419 HB3 PRO 59 2HB PRO 59 13.671 -6.198 0.315 420 HG2 PRO 59 1HG PRO 59 12.323 -5.129 2.758 421 HG3 PRO 59 2HG PRO 59 13.110 -6.696 2.513 422 HD2 PRO 59 1HD PRO 59 14.332 -4.695 3.812 423 HD3 PRO 59 2HD PRO 59 15.231 -5.810 2.764 424 H GLN 60 H GLN 60 13.045 -3.061 -1.492 425 HA GLN 60 HA GLN 60 11.335 -1.149 -0.049 426 HB2 GLN 60 1HB GLN 60 11.774 0.529 -1.747 427 HB3 GLN 60 2HB GLN 60 13.283 0.001 -1.016 428 HG2 GLN 60 1HG GLN 60 13.787 -1.367 -2.933 429 HG3 GLN 60 2HG GLN 60 12.225 -0.983 -3.654 430 HE21 GLN 60 1HE2 GLN 60 14.172 1.358 -1.959 431 HE22 GLN 60 2HE2 GLN 60 14.593 2.298 -3.343 432 H ALA 61 H ALA 61 9.327 -0.838 -0.783 433 HA ALA 61 HA ALA 61 8.242 -2.812 -2.564 434 HB1 ALA 61 1HB ALA 61 7.004 -2.086 -0.579 435 HB2 ALA 61 2HB ALA 61 6.090 -1.776 -2.056 436 HB3 ALA 61 3HB ALA 61 6.913 -0.450 -1.236 437 H GLN 62 H GLN 62 8.314 -2.631 -4.661 438 HA GLN 62 HA GLN 62 8.390 0.050 -5.878 439 HB2 GLN 62 1HB GLN 62 9.345 -2.575 -7.023 440 HB3 GLN 62 2HB GLN 62 9.562 -0.983 -7.737 441 HG2 GLN 62 1HG GLN 62 11.051 -0.325 -5.993 442 HG3 GLN 62 2HG GLN 62 10.708 -1.791 -5.079 443 HE21 GLN 62 1HE2 GLN 62 10.743 -3.461 -7.476 444 HE22 GLN 62 2HE2 GLN 62 12.404 -3.636 -7.908 445 H GLN 63 H GLN 63 7.020 0.495 -7.589 446 HA GLN 63 HA GLN 63 5.053 0.455 -8.713 447 HB2 GLN 63 1HB GLN 63 5.800 -2.459 -8.931 448 HB3 GLN 63 2HB GLN 63 4.416 -1.763 -9.751 449 HG2 GLN 63 1HG GLN 63 6.022 -1.751 -11.394 450 HG3 GLN 63 2HG GLN 63 6.134 -0.115 -10.749 451 HE21 GLN 63 1HE2 GLN 63 7.969 0.508 -9.666 452 HE22 GLN 63 2HE2 GLN 63 9.410 -0.444 -9.627 453 H VAL 64 H VAL 64 4.536 0.771 -6.241 454 HA VAL 64 HA VAL 64 3.161 -1.410 -4.966 455 HB VAL 64 HB VAL 64 3.124 1.441 -4.032 456 HG11 VAL 64 1HG1 VAL 64 3.018 -1.208 -2.625 457 HG12 VAL 64 2HG1 VAL 64 1.727 -0.017 -2.772 458 HG13 VAL 64 3HG1 VAL 64 3.159 0.346 -1.807 459 HG21 VAL 64 1HG2 VAL 64 5.218 0.992 -2.817 460 HG22 VAL 64 2HG2 VAL 64 5.432 0.978 -4.568 461 HG23 VAL 64 3HG2 VAL 64 5.361 -0.543 -3.677 462 H HIS 65 H HIS 65 1.097 -1.889 -5.179 463 HA HIS 65 HA HIS 65 -0.780 0.225 -6.012 464 HB2 HIS 65 1HB HIS 65 -0.773 -2.709 -6.709 465 HB3 HIS 65 2HB HIS 65 -2.169 -1.672 -6.951 466 HD1 HIS 65 HD1 HIS 65 -2.186 -0.197 -9.001 467 HD2 HIS 65 HD2 HIS 65 1.435 -2.144 -8.407 468 HE1 HIS 65 HE1 HIS 65 -0.871 0.171 -11.108 469 HE2 HIS 65 HE2 HIS 65 1.217 -1.206 -10.809 470 H ALA 66 H ALA 66 -2.268 0.682 -4.545 471 HA ALA 66 HA ALA 66 -2.429 -0.790 -2.111 472 HB1 ALA 66 1HB ALA 66 -4.208 1.418 -3.134 473 HB2 ALA 66 2HB ALA 66 -2.732 1.640 -2.195 474 HB3 ALA 66 3HB ALA 66 -4.124 0.831 -1.472 475 H LEU 67 H LEU 67 -3.884 -2.247 -1.445 476 HA LEU 67 HA LEU 67 -5.803 -3.222 -3.433 477 HB2 LEU 67 1HB LEU 67 -4.746 -4.477 -0.899 478 HB3 LEU 67 2HB LEU 67 -5.922 -5.226 -1.960 479 HG LEU 67 HG LEU 67 -3.069 -4.545 -2.679 480 HD11 LEU 67 1HD1 LEU 67 -4.402 -7.217 -2.269 481 HD12 LEU 67 2HD1 LEU 67 -3.317 -6.435 -1.121 482 HD13 LEU 67 3HD1 LEU 67 -2.715 -6.934 -2.701 483 HD21 LEU 67 1HD2 LEU 67 -3.540 -5.802 -4.747 484 HD22 LEU 67 2HD2 LEU 67 -4.498 -4.328 -4.620 485 HD23 LEU 67 3HD2 LEU 67 -5.239 -5.893 -4.285 486 H GLY 68 H GLY 68 -6.383 -0.828 -2.123 487 HA2 GLY 68 1HA GLY 68 -8.391 -1.525 -0.103 488 HA3 GLY 68 2HA GLY 68 -7.779 0.091 -0.431 489 H GLY 69 H GLY 69 -10.467 -0.311 -0.220 490 HA2 GLY 69 1HA GLY 69 -11.683 -0.872 -2.748 491 HA3 GLY 69 2HA GLY 69 -12.483 -0.217 -1.327 492 H GLU 70 H GLU 70 -11.100 0.464 -4.371 493 HA GLU 70 HA GLU 70 -11.142 3.341 -3.957 494 HB2 GLU 70 1HB GLU 70 -9.342 2.313 -5.313 495 HB3 GLU 70 2HB GLU 70 -10.549 1.752 -6.462 496 HG2 GLU 70 1HG GLU 70 -11.189 4.135 -6.831 497 HG3 GLU 70 2HG GLU 70 -9.813 4.598 -5.830 498 H ASN 71 H ASN 71 -13.295 3.764 -3.608 499 HA ASN 71 HA ASN 71 -15.304 2.838 -5.451 500 HB2 ASN 71 1HB ASN 71 -15.470 4.769 -3.128 501 HB3 ASN 71 2HB ASN 71 -16.853 4.206 -4.059 502 HD21 ASN 71 1HD2 ASN 71 -17.863 3.210 -2.359 503 HD22 ASN 71 2HD2 ASN 71 -17.242 1.788 -1.591 504 H LEU 72 H LEU 72 -15.690 3.775 -7.328 505 HA LEU 72 HA LEU 72 -14.470 6.320 -7.938 506 HB2 LEU 72 1HB LEU 72 -16.111 4.454 -9.652 507 HB3 LEU 72 2HB LEU 72 -15.283 5.883 -10.233 508 HG LEU 72 HG LEU 72 -13.954 3.437 -9.064 509 HD11 LEU 72 1HD1 LEU 72 -14.886 3.026 -11.270 510 HD12 LEU 72 2HD1 LEU 72 -13.125 3.100 -11.342 511 HD13 LEU 72 3HD1 LEU 72 -14.090 4.471 -11.891 512 HD21 LEU 72 1HD2 LEU 72 -12.698 5.456 -8.561 513 HD22 LEU 72 2HD2 LEU 72 -12.775 5.944 -10.254 514 HD23 LEU 72 3HD2 LEU 72 -11.869 4.502 -9.791 515 H TYR 73 H TYR 73 -15.917 7.398 -6.314 516 HA TYR 73 HA TYR 73 -18.596 7.939 -7.350 517 HB2 TYR 73 1HB TYR 73 -17.275 8.913 -4.810 518 HB3 TYR 73 2HB TYR 73 -18.948 9.192 -5.267 519 HD1 TYR 73 HD1 TYR 73 -19.307 6.292 -6.399 520 HD2 TYR 73 HD2 TYR 73 -17.837 7.859 -2.728 521 HE1 TYR 73 HE1 TYR 73 -19.971 4.222 -5.255 522 HE2 TYR 73 HE2 TYR 73 -18.490 5.792 -1.578 523 HH TYR 73 HH TYR 73 -20.143 3.943 -1.912 524 H PHE 74 H PHE 74 -18.189 9.156 -9.147 525 HA PHE 74 HA PHE 74 -16.429 11.417 -9.074 526 HB2 PHE 74 1HB PHE 74 -18.472 10.608 -11.155 527 HB3 PHE 74 2HB PHE 74 -17.218 11.829 -11.363 528 HD1 PHE 74 HD1 PHE 74 -18.040 8.402 -11.720 529 HD2 PHE 74 HD2 PHE 74 -14.780 11.050 -11.044 530 HE1 PHE 74 HE1 PHE 74 -16.471 6.657 -12.461 531 HE2 PHE 74 HE2 PHE 74 -13.208 9.316 -11.791 532 HZ PHE 74 HZ PHE 74 -14.053 7.114 -12.500 533 H GLN 75 H GLN 75 -19.684 10.797 -8.308 534 HA GLN 75 HA GLN 75 -20.265 13.663 -8.080 535 HB2 GLN 75 1HB GLN 75 -22.573 12.983 -7.637 536 HB3 GLN 75 2HB GLN 75 -22.002 12.289 -9.147 537 HG2 GLN 75 1HG GLN 75 -21.632 10.154 -8.042 538 HG3 GLN 75 2HG GLN 75 -22.160 10.846 -6.510 539 HE21 GLN 75 1HE2 GLN 75 -24.336 11.315 -6.206 540 HE22 GLN 75 2HE2 GLN 75 -25.567 10.649 -7.221 541 H GLY 76 H GLY 76 -21.301 14.344 -5.992 542 HA2 GLY 76 1HA GLY 76 -21.397 14.329 -3.659 543 HA3 GLY 76 2HA GLY 76 -20.585 12.769 -3.658 544 H HIS 77 H HIS 77 -18.326 12.685 -3.714 545 HA HIS 77 HA HIS 77 -16.996 15.217 -3.088 546 HB2 HIS 77 1HB HIS 77 -15.152 13.931 -2.233 547 HB3 HIS 77 2HB HIS 77 -16.631 13.252 -1.572 548 HD1 HIS 77 HD1 HIS 77 -17.210 10.832 -2.215 549 HD2 HIS 77 HD2 HIS 77 -13.762 12.269 -4.039 550 HE1 HIS 77 HE1 HIS 77 -16.050 8.814 -3.163 551 HE2 HIS 77 HE2 HIS 77 -14.098 9.741 -4.448 552 H HIS 78 H HIS 78 -14.830 15.584 -4.105 553 HA HIS 78 HA HIS 78 -14.997 14.798 -6.938 554 HB2 HIS 78 1HB HIS 78 -15.415 17.212 -6.447 555 HB3 HIS 78 2HB HIS 78 -13.788 17.324 -5.790 556 HD1 HIS 78 HD1 HIS 78 -12.273 18.384 -7.416 557 HD2 HIS 78 HD2 HIS 78 -15.162 16.066 -9.292 558 HE1 HIS 78 HE1 HIS 78 -11.791 18.561 -9.874 559 HE2 HIS 78 HE2 HIS 78 -13.429 16.994 -10.968 560 H HIS 79 H HIS 79 -13.387 13.594 -7.687 561 HA HIS 79 HA HIS 79 -11.027 13.078 -6.171 562 HB2 HIS 79 1HB HIS 79 -11.932 11.366 -7.655 563 HB3 HIS 79 2HB HIS 79 -11.721 12.420 -9.047 564 HD1 HIS 79 HD1 HIS 79 -9.502 12.341 -10.212 565 HD2 HIS 79 HD2 HIS 79 -9.436 10.409 -6.533 566 HE1 HIS 79 HE1 HIS 79 -7.276 11.181 -10.100 567 HE2 HIS 79 HE2 HIS 79 -7.315 9.898 -7.935 568 H HIS 80 H HIS 80 -9.731 14.776 -5.837 569 HA HIS 80 HA HIS 80 -8.729 16.188 -8.212 570 HB2 HIS 80 1HB HIS 80 -10.217 17.693 -7.001 571 HB3 HIS 80 2HB HIS 80 -9.360 17.373 -5.498 572 HD1 HIS 80 HD1 HIS 80 -8.978 19.177 -8.781 573 HD2 HIS 80 HD2 HIS 80 -7.061 18.864 -5.104 574 HE1 HIS 80 HE1 HIS 80 -7.228 20.976 -8.774 575 HE2 HIS 80 HE2 HIS 80 -5.941 20.617 -6.638 576 H HIS 81 H HIS 81 -6.757 15.393 -8.471 577 HA HIS 81 HA HIS 81 -5.044 14.433 -6.474 578 HB2 HIS 81 1HB HIS 81 -3.304 14.457 -8.147 579 HB3 HIS 81 2HB HIS 81 -4.805 13.973 -8.924 580 HD1 HIS 81 HD1 HIS 81 -2.002 16.103 -9.427 581 HD2 HIS 81 HD2 HIS 81 -6.065 16.389 -10.249 582 HE1 HIS 81 HE1 HIS 81 -2.216 17.899 -11.172 583 HE2 HIS 81 HE2 HIS 81 -4.655 17.892 -11.806 584 H HIS 82 H HIS 82 -3.197 15.355 -5.508 585 HA HIS 82 HA HIS 82 -3.641 18.027 -4.622 586 HB2 HIS 82 1HB HIS 82 -2.723 16.248 -3.162 587 HB3 HIS 82 2HB HIS 82 -1.259 16.223 -4.137 588 HD1 HIS 82 HD1 HIS 82 -3.127 18.390 -1.690 589 HD2 HIS 82 HD2 HIS 82 0.586 18.192 -3.548 590 HE1 HIS 82 HE1 HIS 82 -1.708 20.124 -0.554 591 HE2 HIS 82 HE2 HIS 82 0.580 19.853 -1.568
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