NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
521165 | 2l6k | 17314 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 -17.855 3.484 1.027 2 HA MET 1 HA MET 1 -17.632 5.253 -1.133 3 HB3 MET 1 2HB MET 1 -18.876 7.180 -0.367 4 HG3 MET 1 2HG MET 1 -21.126 5.450 0.064 5 HE1 MET 1 3HE MET 1 -22.497 5.856 -3.340 6 HE2 MET 1 1HE MET 1 -21.037 6.490 -4.100 7 HE3 MET 1 2HE MET 1 -20.958 5.021 -3.129 8 H ASP 2 H ASP 2 -15.478 5.295 -0.680 9 HA ASP 2 HA ASP 2 -14.701 6.587 1.850 10 HB3 ASP 2 2HB ASP 2 -12.470 5.274 1.393 11 H THR 3 H THR 3 -13.045 8.102 1.768 12 HA THR 3 HA THR 3 -12.362 9.034 -0.943 13 HB THR 3 HB THR 3 -11.802 11.188 0.593 14 HG1 THR 3 1HG THR 3 -13.507 11.375 2.124 15 HG21 THR 3 3HG2 THR 3 -14.532 11.465 0.056 16 HG22 THR 3 1HG2 THR 3 -13.929 10.351 -1.169 17 HG23 THR 3 2HG2 THR 3 -13.190 11.942 -0.984 18 H SER 4 H SER 4 -10.268 10.276 -1.042 19 HA SER 4 HA SER 4 -8.140 8.618 -0.259 20 HB3 SER 4 2HB SER 4 -7.231 9.822 -1.917 21 HG SER 4 HG SER 4 -8.397 11.319 -2.883 22 H LYS 5 H LYS 5 -9.640 11.369 1.264 23 HA LYS 5 HA LYS 5 -7.576 11.993 3.094 24 HB3 LYS 5 2HB LYS 5 -9.506 13.479 2.531 25 HG3 LYS 5 2HG LYS 5 -11.119 11.371 3.152 26 HD3 LYS 5 2HD LYS 5 -11.468 13.361 5.384 27 HE3 LYS 5 2HE LYS 5 -12.694 11.233 6.275 28 HZ1 LYS 5 3HZ LYS 5 -13.794 12.958 4.125 29 HZ2 LYS 5 1HZ LYS 5 -13.886 13.226 5.793 30 HZ3 LYS 5 2HZ LYS 5 -14.734 11.939 5.095 31 H PHE 6 H PHE 6 -10.030 9.542 3.031 32 HA PHE 6 HA PHE 6 -9.684 8.882 5.839 33 HB3 PHE 6 2HB PHE 6 -11.317 7.493 3.705 34 HD1 PHE 6 2HD PHE 6 -12.244 8.255 7.167 35 HD2 PHE 6 1HD PHE 6 -10.951 5.244 4.451 36 HE1 PHE 6 2HE PHE 6 -12.812 6.524 8.820 37 HE2 PHE 6 1HE PHE 6 -11.516 3.508 6.100 38 HZ PHE 6 HZ PHE 6 -12.447 4.147 8.288 39 H TRP 7 H TRP 7 -8.549 7.856 2.730 40 HA TRP 7 HA TRP 7 -7.426 5.388 3.807 41 HB3 TRP 7 2HB TRP 7 -6.557 5.278 1.329 42 HD1 TRP 7 HD TRP 7 -9.840 5.434 0.038 43 HE1 TRP 7 1HE TRP 7 -11.192 3.282 0.450 44 HE3 TRP 7 3HE TRP 7 -6.950 3.350 3.704 45 HZ2 TRP 7 2HZ TRP 7 -11.051 1.004 2.110 46 HZ3 TRP 7 3HZ TRP 7 -7.629 1.183 4.651 47 HH2 TRP 7 HH TRP 7 -9.637 0.036 3.869 48 H TYR 8 H TYR 8 -6.557 8.584 3.611 49 HA TYR 8 HA TYR 8 -3.685 7.933 3.504 50 HB3 TYR 8 2HB TYR 8 -5.124 10.510 2.850 51 HD1 TYR 8 1HD TYR 8 -1.841 9.444 1.627 52 HD2 TYR 8 2HD TYR 8 -3.904 12.010 4.321 53 HE1 TYR 8 1HE TYR 8 0.224 10.738 1.965 54 HE2 TYR 8 2HE TYR 8 -1.847 13.312 4.666 55 HH TYR 8 HH TYR 8 0.286 13.760 3.379 56 H LYS 9 H LYS 9 -2.886 7.762 5.489 57 HA LYS 9 HA LYS 9 -3.440 9.903 7.410 58 HB3 LYS 9 2HB LYS 9 -3.502 8.105 9.223 59 HG3 LYS 9 2HG LYS 9 -5.887 7.431 8.731 60 HD3 LYS 9 2HD LYS 9 -5.854 10.335 8.299 61 HE3 LYS 9 2HE LYS 9 -6.638 9.339 10.907 62 HZ1 LYS 9 3HZ LYS 9 -8.475 10.359 8.846 63 HZ2 LYS 9 1HZ LYS 9 -7.355 11.406 9.562 64 HZ3 LYS 9 2HZ LYS 9 -8.499 10.609 10.519 65 HA PRO 10 HA PRO 10 1.034 9.538 7.364 66 HB3 PRO 10 2HB PRO 10 1.085 11.814 7.050 67 HG3 PRO 10 2HG PRO 10 -0.627 13.174 7.843 68 HD3 PRO 10 2HD PRO 10 -1.868 11.577 6.736 69 H HIS 11 H HIS 11 -0.956 10.231 10.210 70 HA HIS 11 HA HIS 11 1.095 9.394 12.054 71 HB3 HIS 11 2HB HIS 11 -0.945 9.530 13.681 72 HD1 HIS 11 1HD HIS 11 1.864 10.873 13.222 73 HD2 HIS 11 2HD HIS 11 -1.784 12.859 13.323 74 HE1 HIS 11 1HE HIS 11 2.410 13.251 13.836 75 H LEU 12 H LEU 12 -1.484 7.910 10.316 76 HA LEU 12 HA LEU 12 -2.179 5.761 11.896 77 HB3 LEU 12 2HB LEU 12 -1.896 6.057 8.925 78 HG LEU 12 HG LEU 12 -2.553 3.558 10.376 79 HD11 LEU 12 1HD1 LEU 12 -4.731 4.394 9.464 80 HD12 LEU 12 2HD1 LEU 12 -4.196 2.845 8.813 81 HD13 LEU 12 3HD1 LEU 12 -4.014 4.314 7.855 82 HD21 LEU 12 3HD2 LEU 12 -1.262 2.606 8.790 83 HD22 LEU 12 1HD2 LEU 12 -0.654 4.250 8.600 84 HD23 LEU 12 2HD2 LEU 12 -1.892 3.637 7.503 85 H SER 13 H SER 13 -1.202 3.963 12.591 86 HA SER 13 HA SER 13 1.597 3.569 11.936 87 HB3 SER 13 2HB SER 13 1.746 2.692 13.999 88 HG SER 13 HG SER 13 -0.098 3.006 15.354 89 H ARG 14 H ARG 14 2.435 1.418 11.419 90 HA ARG 14 HA ARG 14 1.317 0.334 9.127 91 HB3 ARG 14 2HB ARG 14 3.626 -0.047 9.590 92 HG3 ARG 14 2HG ARG 14 2.878 -1.776 11.932 93 HD3 ARG 14 2HD ARG 14 5.568 -0.601 11.502 94 HE ARG 14 HE ARG 14 4.602 -2.503 13.212 95 HH11 ARG 14 1HH1 ARG 14 7.074 -2.407 10.762 96 HH12 ARG 14 2HH1 ARG 14 8.072 -3.592 11.538 97 HH21 ARG 14 1HH2 ARG 14 5.907 -4.064 14.243 98 HH22 ARG 14 2HH2 ARG 14 7.406 -4.534 13.517 99 H ASP 15 H ASP 15 1.140 -0.888 12.461 100 HA ASP 15 HA ASP 15 -0.333 -3.198 11.962 101 HB3 ASP 15 2HB ASP 15 -0.957 -1.698 14.446 102 H GLN 16 H GLN 16 -1.432 0.112 12.562 103 HA GLN 16 HA GLN 16 -4.188 -0.442 12.657 104 HB3 GLN 16 2HB GLN 16 -4.472 1.974 12.145 105 HG3 GLN 16 2HG GLN 16 -2.374 2.474 13.956 106 HE21 GLN 16 1HE2 GLN 16 -3.244 4.021 15.117 107 HE22 GLN 16 2HE2 GLN 16 -4.898 4.130 15.604 108 H ALA 17 H ALA 17 -2.039 0.366 9.969 109 HA ALA 17 HA ALA 17 -4.029 0.601 7.987 110 HB1 ALA 17 1HB ALA 17 -2.107 1.470 7.178 111 HB2 ALA 17 2HB ALA 17 -1.092 0.305 8.030 112 HB3 ALA 17 3HB ALA 17 -1.907 -0.162 6.537 113 H ILE 18 H ILE 18 -2.138 -2.156 9.138 114 HA ILE 18 HA ILE 18 -3.017 -4.001 7.187 115 HB ILE 18 HB ILE 18 -2.061 -4.539 10.002 116 HG13 ILE 18 2HG1 ILE 18 -0.544 -3.270 8.346 117 HG21 ILE 18 1HG2 ILE 18 -1.435 -6.647 8.225 118 HG22 ILE 18 2HG2 ILE 18 -2.507 -6.678 9.624 119 HG23 ILE 18 3HG2 ILE 18 -3.149 -6.280 8.030 120 HD11 ILE 18 3HD1 ILE 18 1.162 -5.465 8.813 121 HD12 ILE 18 1HD1 ILE 18 1.056 -3.947 9.705 122 HD13 ILE 18 2HD1 ILE 18 0.077 -5.330 10.198 123 H ALA 19 H ALA 19 -4.229 -3.168 10.405 124 HA ALA 19 HA ALA 19 -6.240 -5.158 10.505 125 HB1 ALA 19 1HB ALA 19 -6.887 -2.748 11.988 126 HB2 ALA 19 2HB ALA 19 -6.569 -4.383 12.569 127 HB3 ALA 19 3HB ALA 19 -5.228 -3.282 12.259 128 H LEU 20 H LEU 20 -6.170 -1.857 9.285 129 HA LEU 20 HA LEU 20 -8.981 -1.669 8.839 130 HB3 LEU 20 2HB LEU 20 -7.131 -0.043 7.203 131 HG LEU 20 HG LEU 20 -9.613 0.465 7.502 132 HD11 LEU 20 1HD1 LEU 20 -9.531 2.098 9.716 133 HD12 LEU 20 2HD1 LEU 20 -8.683 0.648 10.250 134 HD13 LEU 20 3HD1 LEU 20 -10.322 0.525 9.614 135 HD21 LEU 20 3HD2 LEU 20 -8.568 2.200 6.479 136 HD22 LEU 20 1HD2 LEU 20 -7.320 2.325 7.720 137 HD23 LEU 20 2HD2 LEU 20 -8.927 2.991 8.015 138 H LEU 21 H LEU 21 -6.255 -2.816 6.984 139 HA LEU 21 HA LEU 21 -7.645 -2.911 4.481 140 HB3 LEU 21 2HB LEU 21 -5.633 -4.564 4.025 141 HG LEU 21 HG LEU 21 -5.135 -1.620 4.459 142 HD11 LEU 21 1HD1 LEU 21 -3.297 -1.981 2.828 143 HD12 LEU 21 2HD1 LEU 21 -3.562 -3.719 2.976 144 HD13 LEU 21 3HD1 LEU 21 -3.041 -2.784 4.378 145 HD21 LEU 21 3HD2 LEU 21 -6.833 -2.869 2.655 146 HD22 LEU 21 1HD2 LEU 21 -5.364 -2.554 1.730 147 HD23 LEU 21 2HD2 LEU 21 -6.197 -1.228 2.544 148 H LYS 22 H LYS 22 -6.892 -5.221 7.042 149 HA LYS 22 HA LYS 22 -8.000 -7.470 5.666 150 HB3 LYS 22 2HB LYS 22 -6.256 -7.536 7.513 151 HG3 LYS 22 2HG LYS 22 -8.690 -7.257 9.265 152 HD3 LYS 22 2HD LYS 22 -5.888 -7.525 10.262 153 HE3 LYS 22 2HE LYS 22 -8.053 -6.952 11.606 154 HZ1 LYS 22 3HZ LYS 22 -9.490 -8.678 11.038 155 HZ2 LYS 22 1HZ LYS 22 -8.910 -9.130 12.562 156 HZ3 LYS 22 2HZ LYS 22 -8.293 -9.865 11.169 157 H ASP 23 H ASP 23 -9.392 -4.813 7.118 158 HA ASP 23 HA ASP 23 -11.861 -6.283 7.759 159 HB3 ASP 23 2HB ASP 23 -11.415 -3.433 8.562 160 H LYS 24 H LYS 24 -10.506 -4.670 5.289 161 HA LYS 24 HA LYS 24 -13.066 -3.497 4.418 162 HB3 LYS 24 2HB LYS 24 -11.118 -2.418 2.770 163 HG3 LYS 24 2HG LYS 24 -13.085 -1.393 4.256 164 HD3 LYS 24 2HD LYS 24 -10.584 -0.363 5.586 165 HE3 LYS 24 2HE LYS 24 -13.457 0.311 5.648 166 HZ1 LYS 24 3HZ LYS 24 -12.848 1.222 8.031 167 HZ2 LYS 24 1HZ LYS 24 -11.905 -0.182 8.073 168 HZ3 LYS 24 2HZ LYS 24 -13.573 -0.291 7.816 169 H ASP 25 H ASP 25 -13.339 -3.484 2.008 170 HA ASP 25 HA ASP 25 -13.303 -6.076 0.990 171 HB3 ASP 25 2HB ASP 25 -13.321 -4.316 -1.222 172 HA PRO 26 HA PRO 26 -9.291 -6.743 -0.654 173 HB3 PRO 26 2HB PRO 26 -10.003 -8.848 -1.239 174 HG3 PRO 26 2HG PRO 26 -12.163 -9.207 -2.024 175 HD3 PRO 26 2HD PRO 26 -12.629 -7.986 -0.125 176 H GLY 27 H GLY 27 -7.826 -5.842 -2.042 177 HA2 GLY 27 2HA GLY 27 -7.137 -4.857 -4.088 178 HA3 GLY 27 3HA GLY 27 -8.815 -4.472 -4.438 179 H ALA 28 H ALA 28 -8.917 -3.517 -1.494 180 HA ALA 28 HA ALA 28 -8.525 -0.763 -2.085 181 HB1 ALA 28 1HB ALA 28 -8.784 -1.686 0.729 182 HB2 ALA 28 2HB ALA 28 -9.559 -0.332 -0.095 183 HB3 ALA 28 3HB ALA 28 -10.128 -1.978 -0.376 184 H PHE 29 H PHE 29 -7.040 0.698 -1.183 185 HA PHE 29 HA PHE 29 -4.709 -0.447 0.174 186 HB3 PHE 29 2HB PHE 29 -4.306 -0.289 -2.322 187 HD1 PHE 29 1HD PHE 29 -6.275 1.129 -3.235 188 HD2 PHE 29 2HD PHE 29 -2.638 2.768 -1.753 189 HE1 PHE 29 1HE PHE 29 -6.704 3.204 -4.487 190 HE2 PHE 29 2HE PHE 29 -3.061 4.845 -3.002 191 HZ PHE 29 HZ PHE 29 -5.096 5.065 -4.371 192 H LEU 30 H LEU 30 -3.210 1.355 0.941 193 HA LEU 30 HA LEU 30 -4.497 3.907 1.419 194 HB3 LEU 30 2HB LEU 30 -5.307 2.301 3.192 195 HG LEU 30 HG LEU 30 -2.770 1.461 3.546 196 HD11 LEU 30 1HD1 LEU 30 -2.462 3.913 4.519 197 HD12 LEU 30 2HD1 LEU 30 -1.620 2.518 5.193 198 HD13 LEU 30 3HD1 LEU 30 -3.077 3.130 5.974 199 HD21 LEU 30 3HD2 LEU 30 -5.184 0.880 4.589 200 HD22 LEU 30 1HD2 LEU 30 -4.371 1.516 6.020 201 HD23 LEU 30 2HD2 LEU 30 -3.676 0.151 5.144 202 H ILE 31 H ILE 31 -3.053 5.445 2.506 203 HA ILE 31 HA ILE 31 -0.213 4.724 2.182 204 HB ILE 31 HB ILE 31 -1.509 7.366 1.500 205 HG13 ILE 31 2HG1 ILE 31 -0.859 6.864 -0.792 206 HG21 ILE 31 1HG2 ILE 31 1.336 6.524 1.789 207 HG22 ILE 31 2HG2 ILE 31 0.911 7.716 0.561 208 HG23 ILE 31 3HG2 ILE 31 0.553 8.033 2.259 209 HD11 ILE 31 3HD1 ILE 31 -0.009 4.706 -1.467 210 HD12 ILE 31 1HD1 ILE 31 1.127 5.499 -0.375 211 HD13 ILE 31 2HD1 ILE 31 0.095 4.196 0.217 212 H ARG 32 H ARG 32 1.197 5.412 3.732 213 HA ARG 32 HA ARG 32 0.232 7.207 5.827 214 HB3 ARG 32 2HB ARG 32 -0.274 4.916 6.594 215 HG3 ARG 32 2HG ARG 32 1.923 4.033 5.386 216 HD3 ARG 32 2HD ARG 32 2.741 4.754 8.174 217 HE ARG 32 HE ARG 32 3.455 2.299 6.850 218 HH11 ARG 32 1HH1 ARG 32 4.464 4.758 9.098 219 HH12 ARG 32 2HH1 ARG 32 5.597 3.730 9.914 220 HH21 ARG 32 1HH2 ARG 32 4.941 0.937 7.917 221 HH22 ARG 32 2HH2 ARG 32 5.868 1.558 9.241 222 H ASP 33 H ASP 33 2.015 7.860 7.318 223 HA ASP 33 HA ASP 33 4.243 8.760 5.833 224 HB3 ASP 33 2HB ASP 33 4.169 8.644 8.840 225 H SER 34 H SER 34 5.990 7.671 5.252 226 HA SER 34 HA SER 34 6.585 5.096 6.386 227 HB3 SER 34 2HB SER 34 8.280 6.650 4.423 228 HG SER 34 HG SER 34 7.930 3.894 4.992 229 H HIS 35 H HIS 35 7.332 5.218 8.440 230 HA HIS 35 HA HIS 35 9.138 7.210 9.362 231 HB3 HIS 35 2HB HIS 35 9.067 4.661 10.842 232 HD1 HIS 35 1HD HIS 35 10.871 6.185 12.115 233 HD2 HIS 35 2HD HIS 35 6.936 7.508 12.256 234 HE1 HIS 35 1HE HIS 35 10.791 7.857 13.992 235 H SER 36 H SER 36 9.578 4.465 7.468 236 HA SER 36 HA SER 36 11.973 3.370 8.293 237 HB3 SER 36 2HB SER 36 12.229 3.348 5.551 238 HG SER 36 HG SER 36 12.154 1.485 6.792 239 H PHE 37 H PHE 37 11.853 5.623 5.544 240 HA PHE 37 HA PHE 37 14.124 7.089 6.669 241 HB3 PHE 37 2HB PHE 37 14.957 7.047 4.136 242 HD1 PHE 37 2HD PHE 37 14.726 3.830 5.975 243 HD2 PHE 37 1HD PHE 37 17.119 7.201 4.965 244 HE1 PHE 37 2HE PHE 37 16.676 2.754 7.020 245 HE2 PHE 37 1HE PHE 37 19.074 6.131 6.009 246 HZ PHE 37 HZ PHE 37 18.853 3.905 7.039 247 H GLN 38 H GLN 38 14.508 9.159 5.601 248 HA GLN 38 HA GLN 38 12.147 10.624 5.234 249 HB3 GLN 38 2HB GLN 38 13.637 12.462 4.497 250 HG3 GLN 38 2HG GLN 38 15.410 11.731 6.552 251 HE21 GLN 38 1HE2 GLN 38 15.713 13.933 6.448 252 HE22 GLN 38 2HE2 GLN 38 14.561 15.067 7.057 253 H GLY 39 H GLY 39 11.164 11.503 3.416 254 HA2 GLY 39 2HA GLY 39 10.542 11.676 1.206 255 HA3 GLY 39 3HA GLY 39 12.153 11.125 0.772 256 H ALA 40 H ALA 40 9.963 9.309 2.820 257 HA ALA 40 HA ALA 40 9.532 7.406 0.614 258 HB1 ALA 40 1HB ALA 40 10.167 6.672 3.470 259 HB2 ALA 40 2HB ALA 40 9.837 5.548 2.150 260 HB3 ALA 40 3HB ALA 40 11.282 6.558 2.107 261 H TYR 41 H TYR 41 7.609 6.159 0.733 262 HA TYR 41 HA TYR 41 5.611 7.109 2.670 263 HB3 TYR 41 2HB TYR 41 3.989 6.786 0.607 264 HD1 TYR 41 1HD TYR 41 6.515 9.291 -0.260 265 HD2 TYR 41 2HD TYR 41 2.969 8.526 1.963 266 HE1 TYR 41 1HE TYR 41 6.196 11.709 0.053 267 HE2 TYR 41 2HE TYR 41 2.639 10.942 2.280 268 HH TYR 41 HH TYR 41 3.278 13.024 1.357 269 H GLY 42 H GLY 42 4.419 5.546 3.589 270 HA2 GLY 42 2HA GLY 42 4.998 2.794 2.869 271 HA3 GLY 42 3HA GLY 42 4.085 3.338 4.268 272 H LEU 43 H LEU 43 3.864 1.784 1.357 273 HA LEU 43 HA LEU 43 1.046 2.528 0.972 274 HB3 LEU 43 2HB LEU 43 3.050 1.212 -0.846 275 HG LEU 43 HG LEU 43 0.720 0.253 -1.183 276 HD11 LEU 43 1HD1 LEU 43 -0.367 2.511 -0.752 277 HD12 LEU 43 2HD1 LEU 43 -0.970 1.583 -2.124 278 HD13 LEU 43 3HD1 LEU 43 0.127 2.939 -2.391 279 HD21 LEU 43 3HD2 LEU 43 1.684 -0.195 -3.133 280 HD22 LEU 43 1HD2 LEU 43 2.636 1.288 -3.067 281 HD23 LEU 43 2HD2 LEU 43 1.010 1.315 -3.750 282 H ALA 44 H ALA 44 -0.514 1.139 1.493 283 HA ALA 44 HA ALA 44 0.231 -1.671 1.987 284 HB1 ALA 44 1HB ALA 44 -0.996 -1.744 3.912 285 HB2 ALA 44 2HB ALA 44 -0.476 -0.058 3.950 286 HB3 ALA 44 3HB ALA 44 -2.098 -0.469 3.392 287 H LEU 45 H LEU 45 -1.044 -3.252 1.144 288 HA LEU 45 HA LEU 45 -3.522 -2.460 -0.215 289 HB3 LEU 45 2HB LEU 45 -1.331 -4.156 -1.405 290 HG LEU 45 HG LEU 45 -3.919 -4.525 -2.057 291 HD11 LEU 45 1HD1 LEU 45 -4.283 -2.240 -2.759 292 HD12 LEU 45 2HD1 LEU 45 -4.350 -3.314 -4.156 293 HD13 LEU 45 3HD1 LEU 45 -2.914 -2.333 -3.866 294 HD21 LEU 45 3HD2 LEU 45 -2.067 -4.538 -4.355 295 HD22 LEU 45 1HD2 LEU 45 -3.085 -5.824 -3.706 296 HD23 LEU 45 2HD2 LEU 45 -1.551 -5.436 -2.927 297 H LYS 46 H LYS 46 -5.145 -3.959 -0.178 298 HA LYS 46 HA LYS 46 -4.681 -6.292 1.531 299 HB3 LYS 46 2HB LYS 46 -7.250 -4.955 0.659 300 HG3 LYS 46 2HG LYS 46 -7.590 -7.352 1.108 301 HD3 LYS 46 2HD LYS 46 -6.745 -6.736 3.932 302 HE3 LYS 46 2HE LYS 46 -6.880 -9.101 4.260 303 HZ1 LYS 46 3HZ LYS 46 -9.136 -9.352 4.213 304 HZ2 LYS 46 1HZ LYS 46 -9.310 -8.668 2.674 305 HZ3 LYS 46 2HZ LYS 46 -9.035 -7.675 4.016 306 H VAL 47 H VAL 47 -4.760 -8.315 0.776 307 HA VAL 47 HA VAL 47 -5.362 -8.699 -2.062 308 HB VAL 47 HB VAL 47 -4.263 -10.853 -0.293 309 HG11 VAL 47 1HG1 VAL 47 -3.035 -11.348 -2.461 310 HG12 VAL 47 2HG1 VAL 47 -4.782 -11.595 -2.468 311 HG13 VAL 47 3HG1 VAL 47 -4.091 -10.153 -3.211 312 HG21 VAL 47 3HG2 VAL 47 -1.981 -10.042 -0.827 313 HG22 VAL 47 1HG2 VAL 47 -2.694 -8.568 -1.483 314 HG23 VAL 47 2HG2 VAL 47 -2.876 -8.951 0.229 315 H ALA 48 H ALA 48 -6.510 -10.699 -2.696 316 HA ALA 48 HA ALA 48 -8.971 -10.925 -1.229 317 HB1 ALA 48 1HB ALA 48 -9.465 -12.650 -3.065 318 HB2 ALA 48 2HB ALA 48 -9.260 -10.964 -3.543 319 HB3 ALA 48 3HB ALA 48 -7.945 -12.115 -3.782 320 H THR 49 H THR 49 -6.097 -12.879 -1.692 321 HA THR 49 HA THR 49 -6.701 -14.466 0.609 322 HB THR 49 HB THR 49 -6.312 -16.572 -1.119 323 HG1 THR 49 1HG THR 49 -8.063 -16.181 -2.686 324 HG21 THR 49 3HG2 THR 49 -9.091 -15.706 -0.436 325 HG22 THR 49 1HG2 THR 49 -7.962 -16.112 0.856 326 HG23 THR 49 2HG2 THR 49 -8.370 -17.314 -0.369 327 HA PRO 50 HA PRO 50 -2.339 -14.952 0.679 328 HB3 PRO 50 2HB PRO 50 -2.584 -15.961 2.729 329 HG3 PRO 50 2HG PRO 50 -4.365 -17.392 3.156 330 HD3 PRO 50 2HD PRO 50 -5.505 -15.595 2.272 331 HA PRO 51 HA PRO 51 -0.791 -17.283 -2.712 332 HB3 PRO 51 2HB PRO 51 1.282 -16.397 -2.264 333 HG3 PRO 51 2HG PRO 51 2.012 -16.099 -0.077 334 HD3 PRO 51 2HD PRO 51 -0.061 -15.099 0.058 335 HA PRO 52 HA PRO 52 -1.428 -21.614 -2.307 336 HB3 PRO 52 2HB PRO 52 -1.097 -21.788 -4.574 337 HG3 PRO 52 2HG PRO 52 0.525 -20.516 -5.650 338 HD3 PRO 52 2HD PRO 52 -0.550 -18.862 -4.457 339 H SER 53 H SER 53 1.740 -20.339 -1.711 340 HA SER 53 HA SER 53 2.721 -22.835 -0.580 341 HB3 SER 53 2HB SER 53 4.151 -20.187 -0.460 342 HG SER 53 HG SER 53 5.788 -22.083 -1.037 343 H ALA 54 H ALA 54 1.963 -19.540 0.501 344 HA ALA 54 HA ALA 54 1.588 -18.657 2.570 345 HB1 ALA 54 1HB ALA 54 0.388 -20.413 4.134 346 HB2 ALA 54 2HB ALA 54 -0.428 -19.717 2.733 347 HB3 ALA 54 3HB ALA 54 0.284 -21.328 2.629 348 H GLN 55 H GLN 55 4.120 -18.964 2.532 349 HA GLN 55 HA GLN 55 4.872 -20.526 4.913 350 HB3 GLN 55 2HB GLN 55 7.143 -20.613 4.002 351 HG3 GLN 55 2HG GLN 55 6.751 -21.928 1.930 352 HE21 GLN 55 1HE2 GLN 55 4.228 -23.492 2.383 353 HE22 GLN 55 2HE2 GLN 55 4.552 -24.437 3.793 354 HA PRO 56 HA PRO 56 5.308 -16.027 5.981 355 HB3 PRO 56 2HB PRO 56 3.231 -15.981 6.963 356 HG3 PRO 56 2HG PRO 56 2.222 -17.933 7.726 357 HD3 PRO 56 2HD PRO 56 2.814 -18.597 5.599 358 H TRP 57 H TRP 57 6.946 -15.172 7.175 359 HA TRP 57 HA TRP 57 8.507 -17.056 8.814 360 HB3 TRP 57 2HB TRP 57 9.440 -14.596 7.319 361 HD1 TRP 57 HD TRP 57 11.615 -13.620 8.222 362 HE1 TRP 57 1HE TRP 57 13.556 -14.458 9.689 363 HE3 TRP 57 3HE TRP 57 10.069 -18.441 8.934 364 HZ2 TRP 57 2HZ TRP 57 14.330 -16.848 10.978 365 HZ3 TRP 57 3HZ TRP 57 11.467 -19.938 10.296 366 HH2 TRP 57 HH TRP 57 13.554 -19.156 11.295 367 H LYS 58 H LYS 58 8.125 -16.738 10.905 368 HA LYS 58 HA LYS 58 7.726 -15.724 12.906 369 HB3 LYS 58 2HB LYS 58 9.056 -13.598 13.280 370 HG3 LYS 58 2HG LYS 58 11.237 -15.020 12.259 371 HD3 LYS 58 2HD LYS 58 9.899 -14.658 14.887 372 HE3 LYS 58 2HE LYS 58 12.337 -16.368 14.776 373 HZ1 LYS 58 3HZ LYS 58 11.886 -16.696 16.927 374 HZ2 LYS 58 1HZ LYS 58 10.225 -16.895 16.668 375 HZ3 LYS 58 2HZ LYS 58 10.881 -15.341 16.792 376 H GLY 59 H GLY 59 5.700 -15.331 10.989 377 HA2 GLY 59 2HA GLY 59 4.518 -12.892 12.068 378 HA3 GLY 59 3HA GLY 59 4.693 -12.969 10.321 379 H ASP 60 H ASP 60 2.325 -12.947 12.216 380 HA ASP 60 HA ASP 60 0.985 -15.361 12.273 381 HB3 ASP 60 2HB ASP 60 -1.096 -13.712 11.915 382 HA PRO 61 HA PRO 61 -0.188 -16.423 8.184 383 HB3 PRO 61 2HB PRO 61 -1.297 -18.229 9.070 384 HG3 PRO 61 2HG PRO 61 -2.468 -18.054 11.072 385 HD3 PRO 61 2HD PRO 61 -0.457 -17.124 11.707 386 H VAL 62 H VAL 62 -2.111 -14.117 9.923 387 HA VAL 62 HA VAL 62 -3.754 -13.375 7.675 388 HB VAL 62 HB VAL 62 -4.657 -13.094 9.904 389 HG11 VAL 62 1HG1 VAL 62 -2.066 -12.055 10.470 390 HG12 VAL 62 2HG1 VAL 62 -3.269 -10.831 10.879 391 HG13 VAL 62 3HG1 VAL 62 -3.372 -12.441 11.591 392 HG21 VAL 62 3HG2 VAL 62 -4.277 -10.256 9.189 393 HG22 VAL 62 1HG2 VAL 62 -4.884 -11.306 7.909 394 HG23 VAL 62 2HG2 VAL 62 -5.761 -11.178 9.434 395 H GLU 63 H GLU 63 -0.678 -12.457 8.966 396 HA GLU 63 HA GLU 63 -0.398 -9.863 8.023 397 HB3 GLU 63 2HB GLU 63 2.043 -11.370 7.651 398 HG3 GLU 63 2HG GLU 63 1.082 -9.161 9.376 399 H GLN 64 H GLN 64 -0.253 -12.904 6.311 400 HA GLN 64 HA GLN 64 0.929 -11.902 3.929 401 HB3 GLN 64 2HB GLN 64 0.252 -14.006 2.922 402 HG3 GLN 64 2HG GLN 64 0.862 -14.802 5.733 403 HE21 GLN 64 1HE2 GLN 64 3.088 -14.982 3.114 404 HE22 GLN 64 2HE2 GLN 64 2.922 -16.673 2.803 405 H LEU 65 H LEU 65 -2.290 -11.903 5.202 406 HA LEU 65 HA LEU 65 -3.713 -11.567 2.783 407 HB3 LEU 65 2HB LEU 65 -5.546 -10.804 4.168 408 HG LEU 65 HG LEU 65 -4.112 -12.947 5.733 409 HD11 LEU 65 1HD1 LEU 65 -6.961 -13.184 5.588 410 HD12 LEU 65 2HD1 LEU 65 -6.524 -11.591 6.203 411 HD13 LEU 65 3HD1 LEU 65 -5.923 -13.041 7.006 412 HD21 LEU 65 3HD2 LEU 65 -5.926 -14.245 4.204 413 HD22 LEU 65 1HD2 LEU 65 -4.223 -14.064 3.783 414 HD23 LEU 65 2HD2 LEU 65 -5.422 -12.965 3.100 415 H VAL 66 H VAL 66 -1.821 -9.419 4.717 416 HA VAL 66 HA VAL 66 -2.634 -7.177 2.984 417 HB VAL 66 HB VAL 66 -1.748 -7.016 5.868 418 HG11 VAL 66 1HG1 VAL 66 -1.968 -5.021 3.726 419 HG12 VAL 66 2HG1 VAL 66 -2.744 -4.570 5.246 420 HG13 VAL 66 3HG1 VAL 66 -1.031 -4.987 5.219 421 HG21 VAL 66 3HG2 VAL 66 -4.180 -5.874 5.817 422 HG22 VAL 66 1HG2 VAL 66 -4.385 -7.079 4.546 423 HG23 VAL 66 2HG2 VAL 66 -3.917 -7.581 6.170 424 H ARG 67 H ARG 67 -1.066 -6.403 1.744 425 HA ARG 67 HA ARG 67 1.721 -7.022 2.459 426 HB3 ARG 67 2HB ARG 67 1.506 -6.094 -0.228 427 HG3 ARG 67 2HG ARG 67 3.102 -7.807 0.829 428 HD3 ARG 67 2HD ARG 67 1.515 -9.976 -0.268 429 HE ARG 67 HE ARG 67 2.388 -10.140 2.456 430 HH11 ARG 67 1HH1 ARG 67 3.422 -10.236 -0.868 431 HH12 ARG 67 2HH1 ARG 67 4.833 -11.185 -0.537 432 HH21 ARG 67 1HH2 ARG 67 4.244 -11.389 2.903 433 HH22 ARG 67 2HH2 ARG 67 5.300 -11.840 1.608 434 H HIS 68 H HIS 68 2.843 -5.382 3.255 435 HA HIS 68 HA HIS 68 2.210 -2.658 2.323 436 HB3 HIS 68 2HB HIS 68 1.598 -2.962 4.674 437 HD1 HIS 68 1HD HIS 68 5.155 -2.493 5.600 438 HD2 HIS 68 2HD HIS 68 2.271 -5.475 5.818 439 HE1 HIS 68 1HE HIS 68 6.079 -4.207 7.190 440 H PHE 69 H PHE 69 3.787 -1.634 1.289 441 HA PHE 69 HA PHE 69 6.571 -2.431 1.802 442 HB3 PHE 69 2HB PHE 69 7.082 -2.312 -0.566 443 HD1 PHE 69 2HD PHE 69 7.484 -4.623 0.326 444 HD2 PHE 69 1HD PHE 69 3.731 -3.393 -1.263 445 HE1 PHE 69 2HE PHE 69 6.837 -6.979 0.041 446 HE2 PHE 69 1HE PHE 69 3.079 -5.748 -1.551 447 HZ PHE 69 HZ PHE 69 4.632 -7.543 -0.901 448 H LEU 70 H LEU 70 8.140 -0.805 1.498 449 HA LEU 70 HA LEU 70 7.051 1.903 1.736 450 HB3 LEU 70 2HB LEU 70 8.458 1.420 3.539 451 HG LEU 70 HG LEU 70 10.216 0.027 1.603 452 HD11 LEU 70 1HD1 LEU 70 11.197 1.868 3.712 453 HD12 LEU 70 2HD1 LEU 70 11.921 1.423 2.167 454 HD13 LEU 70 3HD1 LEU 70 12.006 0.310 3.532 455 HD21 LEU 70 3HD2 LEU 70 10.312 -0.685 4.421 456 HD22 LEU 70 1HD2 LEU 70 9.916 -1.674 3.014 457 HD23 LEU 70 2HD2 LEU 70 8.671 -0.682 3.773 458 H ILE 71 H ILE 71 7.150 3.264 0.085 459 HA ILE 71 HA ILE 71 8.895 2.619 -2.179 460 HB ILE 71 HB ILE 71 6.777 4.753 -2.174 461 HG13 ILE 71 2HG1 ILE 71 6.446 1.838 -2.084 462 HG21 ILE 71 1HG2 ILE 71 7.505 3.068 -4.516 463 HG22 ILE 71 2HG2 ILE 71 6.981 4.750 -4.453 464 HG23 ILE 71 3HG2 ILE 71 8.630 4.323 -3.996 465 HD11 ILE 71 3HD1 ILE 71 5.091 4.147 -1.140 466 HD12 ILE 71 1HD1 ILE 71 3.976 3.198 -2.121 467 HD13 ILE 71 2HD1 ILE 71 4.799 2.452 -0.751 468 H GLU 72 H GLU 72 10.530 3.909 -2.825 469 HA GLU 72 HA GLU 72 10.988 6.371 -1.272 470 HB3 GLU 72 2HB GLU 72 13.399 6.024 -1.762 471 HG3 GLU 72 2HG GLU 72 12.589 3.427 -0.599 472 H THR 73 H THR 73 11.468 8.249 -2.318 473 HA THR 73 HA THR 73 11.327 8.175 -5.262 474 HB THR 73 HB THR 73 9.387 9.306 -4.489 475 HG1 THR 73 1HG THR 73 9.799 11.443 -5.277 476 HG21 THR 73 3HG2 THR 73 11.183 10.261 -2.400 477 HG22 THR 73 1HG2 THR 73 9.432 10.062 -2.380 478 HG23 THR 73 2HG2 THR 73 10.144 11.530 -3.049 479 H GLY 74 H GLY 74 13.112 8.771 -6.295 480 HA2 GLY 74 2HA GLY 74 14.933 10.673 -4.956 481 HA3 GLY 74 3HA GLY 74 15.542 9.234 -5.762 482 HA PRO 75 HA PRO 75 15.648 12.799 -8.747 483 HB3 PRO 75 2HB PRO 75 17.780 13.387 -8.125 484 HG3 PRO 75 2HG PRO 75 19.197 11.853 -7.102 485 HD3 PRO 75 2HD PRO 75 17.317 11.589 -5.794 486 H LYS 76 H LYS 76 15.924 9.434 -8.801 487 HA LYS 76 HA LYS 76 15.973 9.368 -11.743 488 HB3 LYS 76 2HB LYS 76 17.725 8.008 -10.886 489 HG3 LYS 76 2HG LYS 76 16.725 5.942 -9.430 490 HD3 LYS 76 2HD LYS 76 17.551 7.698 -7.482 491 HE3 LYS 76 2HE LYS 76 18.650 5.542 -9.038 492 HZ1 LYS 76 3HZ LYS 76 20.456 6.658 -9.782 493 HZ2 LYS 76 1HZ LYS 76 21.019 6.339 -8.219 494 HZ3 LYS 76 2HZ LYS 76 20.370 7.856 -8.592 495 H GLY 77 H GLY 77 13.813 9.502 -9.334 496 HA2 GLY 77 2HA GLY 77 11.465 9.295 -10.085 497 HA3 GLY 77 3HA GLY 77 11.914 7.730 -10.747 498 H VAL 78 H VAL 78 9.826 7.547 -9.236 499 HA VAL 78 HA VAL 78 10.756 6.780 -6.548 500 HB VAL 78 HB VAL 78 9.006 8.491 -6.515 501 HG11 VAL 78 1HG1 VAL 78 7.224 6.456 -7.843 502 HG12 VAL 78 2HG1 VAL 78 6.803 8.105 -7.376 503 HG13 VAL 78 3HG1 VAL 78 7.961 7.824 -8.676 504 HG21 VAL 78 3HG2 VAL 78 7.243 6.595 -5.452 505 HG22 VAL 78 1HG2 VAL 78 8.858 5.914 -5.248 506 HG23 VAL 78 2HG2 VAL 78 8.481 7.508 -4.591 507 H LYS 79 H LYS 79 10.736 4.698 -6.000 508 HA LYS 79 HA LYS 79 8.935 2.847 -7.361 509 HB3 LYS 79 2HB LYS 79 11.036 2.808 -8.656 510 HG3 LYS 79 2HG LYS 79 12.427 3.228 -6.448 511 HD3 LYS 79 2HD LYS 79 13.220 0.422 -6.721 512 HE3 LYS 79 2HE LYS 79 13.549 0.589 -4.358 513 HZ1 LYS 79 3HZ LYS 79 15.063 2.354 -4.234 514 HZ2 LYS 79 1HZ LYS 79 14.223 3.287 -5.369 515 HZ3 LYS 79 2HZ LYS 79 15.064 1.907 -5.866 516 H ILE 80 H ILE 80 8.790 0.752 -6.275 517 HA ILE 80 HA ILE 80 8.762 1.075 -3.428 518 HB ILE 80 HB ILE 80 8.194 -1.397 -5.069 519 HG13 ILE 80 2HG1 ILE 80 6.744 0.565 -5.597 520 HG21 ILE 80 1HG2 ILE 80 8.488 -1.049 -2.282 521 HG22 ILE 80 2HG2 ILE 80 6.771 -1.279 -2.603 522 HG23 ILE 80 3HG2 ILE 80 7.938 -2.481 -3.152 523 HD11 ILE 80 3HD1 ILE 80 4.526 -0.544 -4.818 524 HD12 ILE 80 1HD1 ILE 80 5.545 -1.341 -6.017 525 HD13 ILE 80 2HD1 ILE 80 5.587 -1.869 -4.334 526 H LYS 81 H LYS 81 10.416 0.723 -2.118 527 HA LYS 81 HA LYS 81 12.763 -0.687 -3.032 528 HB3 LYS 81 2HB LYS 81 12.256 0.393 -0.261 529 HG3 LYS 81 2HG LYS 81 14.327 -1.019 -0.796 530 HD3 LYS 81 2HD LYS 81 15.004 1.550 -2.226 531 HE3 LYS 81 2HE LYS 81 16.798 0.620 -0.679 532 HZ1 LYS 81 3HZ LYS 81 16.348 -1.743 -1.226 533 HZ2 LYS 81 1HZ LYS 81 17.970 -1.301 -1.414 534 HZ3 LYS 81 2HZ LYS 81 16.979 -1.475 -2.773 535 H GLY 82 H GLY 82 12.154 -2.839 -3.251 536 HA2 GLY 82 2HA GLY 82 12.357 -4.429 -0.909 537 HA3 GLY 82 3HA GLY 82 10.688 -4.368 -1.457 538 H CYS 83 H CYS 83 11.339 -4.217 -4.270 539 HA CYS 83 HA CYS 83 12.286 -6.978 -4.666 540 HB3 CYS 83 2HB CYS 83 10.875 -6.366 -6.942 541 HG CYS 83 HG CYS 83 8.956 -8.153 -6.381 542 HA PRO 84 HA PRO 84 15.483 -5.625 -7.345 543 HB3 PRO 84 2HB PRO 84 16.026 -7.835 -7.661 544 HG3 PRO 84 2HG PRO 84 14.374 -9.461 -7.843 545 HD3 PRO 84 2HD PRO 84 13.671 -8.395 -5.925 546 H SER 85 H SER 85 12.265 -5.873 -8.534 547 HA SER 85 HA SER 85 12.486 -5.151 -11.190 548 HB3 SER 85 2HB SER 85 10.273 -3.717 -10.240 549 HG SER 85 HG SER 85 10.390 -5.244 -12.001 550 H GLU 86 H GLU 86 11.526 -2.764 -8.736 551 HA GLU 86 HA GLU 86 11.877 -0.516 -8.605 552 HB3 GLU 86 2HB GLU 86 14.146 0.187 -8.581 553 HG3 GLU 86 2HG GLU 86 14.383 -2.750 -8.012 554 HA PRO 87 HA PRO 87 11.264 -0.018 -13.206 555 HB3 PRO 87 2HB PRO 87 9.085 -0.742 -13.109 556 HG3 PRO 87 2HG PRO 87 7.884 -0.667 -11.120 557 HD3 PRO 87 2HD PRO 87 9.802 -1.714 -10.386 558 H TYR 88 H TYR 88 10.702 2.021 -10.408 559 HA TYR 88 HA TYR 88 10.982 4.247 -10.035 560 HB3 TYR 88 2HB TYR 88 12.657 5.399 -11.603 561 HD1 TYR 88 2HD TYR 88 13.197 5.599 -9.133 562 HD2 TYR 88 1HD TYR 88 14.235 2.180 -11.443 563 HE1 TYR 88 2HE TYR 88 14.852 4.958 -7.430 564 HE2 TYR 88 1HE TYR 88 15.893 1.530 -9.747 565 HH TYR 88 HH TYR 88 17.284 2.977 -7.883 566 H PHE 89 H PHE 89 8.811 4.764 -10.468 567 HA PHE 89 HA PHE 89 8.155 5.687 -13.162 568 HB3 PHE 89 2HB PHE 89 5.837 5.884 -12.258 569 HD1 PHE 89 1HD PHE 89 6.478 4.308 -14.299 570 HD2 PHE 89 2HD PHE 89 6.212 3.077 -10.233 571 HE1 PHE 89 1HE PHE 89 6.131 1.985 -15.028 572 HE2 PHE 89 2HE PHE 89 5.866 0.752 -10.956 573 HZ PHE 89 HZ PHE 89 5.826 0.202 -13.356 574 H GLY 90 H GLY 90 6.388 7.655 -12.829 575 HA2 GLY 90 2HA GLY 90 7.980 9.927 -12.367 576 HA3 GLY 90 3HA GLY 90 6.233 9.929 -12.556 577 H SER 91 H SER 91 4.947 9.375 -10.623 578 HA SER 91 HA SER 91 6.330 9.978 -8.104 579 HB3 SER 91 2HB SER 91 5.414 12.095 -8.705 580 HG SER 91 HG SER 91 2.993 10.712 -9.243 581 H LEU 92 H LEU 92 4.498 9.808 -6.269 582 HA LEU 92 HA LEU 92 3.903 7.129 -5.972 583 HB3 LEU 92 2HB LEU 92 2.036 8.151 -4.381 584 HG LEU 92 HG LEU 92 4.975 8.545 -3.816 585 HD11 LEU 92 1HD1 LEU 92 3.503 8.082 -1.468 586 HD12 LEU 92 2HD1 LEU 92 2.650 9.345 -2.354 587 HD13 LEU 92 3HD1 LEU 92 4.352 9.553 -1.944 588 HD21 LEU 92 3HD2 LEU 92 4.246 6.427 -2.351 589 HD22 LEU 92 1HD2 LEU 92 4.886 6.290 -3.989 590 HD23 LEU 92 2HD2 LEU 92 3.144 6.225 -3.714 591 H SER 93 H SER 93 1.968 9.684 -7.415 592 HA SER 93 HA SER 93 -0.426 8.167 -7.639 593 HB3 SER 93 2HB SER 93 -0.249 10.171 -9.691 594 HG SER 93 HG SER 93 -2.144 10.473 -8.862 595 H ALA 94 H ALA 94 2.388 8.623 -9.682 596 HA ALA 94 HA ALA 94 1.324 7.466 -12.036 597 HB1 ALA 94 1HB ALA 94 4.232 7.410 -11.294 598 HB2 ALA 94 2HB ALA 94 3.503 7.529 -12.895 599 HB3 ALA 94 3HB ALA 94 3.423 8.898 -11.787 600 H LEU 95 H LEU 95 3.251 6.125 -9.371 601 HA LEU 95 HA LEU 95 3.345 3.493 -10.464 602 HB3 LEU 95 2HB LEU 95 5.065 4.112 -8.964 603 HG LEU 95 HG LEU 95 3.488 5.717 -7.578 604 HD11 LEU 95 1HD1 LEU 95 2.463 4.877 -5.753 605 HD12 LEU 95 2HD1 LEU 95 3.683 3.630 -5.503 606 HD13 LEU 95 3HD1 LEU 95 2.429 3.403 -6.721 607 HD21 LEU 95 3HD2 LEU 95 6.083 4.556 -7.200 608 HD22 LEU 95 1HD2 LEU 95 5.327 4.865 -5.637 609 HD23 LEU 95 2HD2 LEU 95 5.515 6.177 -6.801 610 H VAL 96 H VAL 96 1.183 5.196 -8.304 611 HA VAL 96 HA VAL 96 -0.210 2.920 -7.334 612 HB VAL 96 HB VAL 96 -0.849 5.852 -7.422 613 HG11 VAL 96 1HG1 VAL 96 -2.699 3.588 -6.861 614 HG12 VAL 96 2HG1 VAL 96 -2.830 5.054 -5.888 615 HG13 VAL 96 3HG1 VAL 96 -3.015 5.138 -7.639 616 HG21 VAL 96 3HG2 VAL 96 -1.003 4.509 -4.871 617 HG22 VAL 96 1HG2 VAL 96 0.547 4.210 -5.659 618 HG23 VAL 96 2HG2 VAL 96 0.010 5.864 -5.368 619 H SER 97 H SER 97 -0.752 5.137 -10.037 620 HA SER 97 HA SER 97 -3.238 3.981 -10.816 621 HB3 SER 97 2HB SER 97 -1.291 5.789 -12.258 622 HG SER 97 HG SER 97 -2.890 6.022 -13.819 623 H GLN 98 H GLN 98 0.117 3.544 -11.823 624 HA GLN 98 HA GLN 98 -0.490 1.761 -13.965 625 HB3 GLN 98 2HB GLN 98 2.110 1.205 -13.279 626 HG3 GLN 98 2HG GLN 98 2.784 2.902 -14.921 627 HE21 GLN 98 1HE2 GLN 98 0.828 3.102 -17.092 628 HE22 GLN 98 2HE2 GLN 98 0.641 1.499 -17.707 629 H HIS 99 H HIS 99 0.112 1.398 -10.550 630 HA HIS 99 HA HIS 99 0.708 -1.349 -10.496 631 HB3 HIS 99 2HB HIS 99 -0.517 -0.974 -8.106 632 HD1 HIS 99 1HD HIS 99 2.050 -2.311 -9.218 633 HD2 HIS 99 2HD HIS 99 1.993 1.139 -6.903 634 HE1 HIS 99 1HE HIS 99 4.326 -2.175 -8.156 635 H SER 100 H SER 100 -2.187 0.294 -11.190 636 HA SER 100 HA SER 100 -3.927 -1.889 -10.401 637 HB3 SER 100 2HB SER 100 -4.416 0.720 -10.453 638 HG SER 100 HG SER 100 -5.423 1.351 -12.319 639 H ILE 101 H ILE 101 -1.860 -1.436 -12.884 640 HA ILE 101 HA ILE 101 -3.506 -3.059 -14.710 641 HB ILE 101 HB ILE 101 -1.506 -0.947 -15.523 642 HG13 ILE 101 2HG1 ILE 101 -3.712 -0.112 -14.646 643 HG21 ILE 101 1HG2 ILE 101 -1.317 -2.343 -17.291 644 HG22 ILE 101 2HG2 ILE 101 -2.867 -3.124 -16.978 645 HG23 ILE 101 3HG2 ILE 101 -2.816 -1.555 -17.782 646 HD11 ILE 101 3HD1 ILE 101 -2.629 0.468 -17.294 647 HD12 ILE 101 1HD1 ILE 101 -4.326 0.904 -17.089 648 HD13 ILE 101 2HD1 ILE 101 -3.109 1.559 -15.994 649 H SER 102 H SER 102 -0.238 -2.211 -13.651 650 HA SER 102 HA SER 102 0.612 -4.933 -14.373 651 HB3 SER 102 2HB SER 102 1.561 -3.488 -16.055 652 HG SER 102 HG SER 102 3.176 -1.882 -14.918 653 HA PRO 103 HA PRO 103 1.461 -4.036 -9.904 654 HB3 PRO 103 2HB PRO 103 -0.501 -5.046 -9.266 655 HG3 PRO 103 2HG PRO 103 -1.550 -6.604 -10.637 656 HD3 PRO 103 2HD PRO 103 -1.213 -4.903 -12.155 657 H ILE 104 H ILE 104 3.419 -4.444 -9.090 658 HA ILE 104 HA ILE 104 4.858 -6.832 -10.045 659 HB ILE 104 HB ILE 104 6.011 -4.193 -9.134 660 HG13 ILE 104 2HG1 ILE 104 4.932 -4.122 -11.363 661 HG21 ILE 104 1HG2 ILE 104 7.931 -5.258 -8.821 662 HG22 ILE 104 2HG2 ILE 104 7.160 -6.789 -9.233 663 HG23 ILE 104 3HG2 ILE 104 7.899 -5.807 -10.497 664 HD11 ILE 104 3HD1 ILE 104 6.800 -2.676 -11.179 665 HD12 ILE 104 1HD1 ILE 104 7.933 -4.010 -11.385 666 HD13 ILE 104 2HD1 ILE 104 6.922 -3.496 -12.735 667 H SER 105 H SER 105 5.344 -4.565 -7.344 668 HA SER 105 HA SER 105 6.319 -6.516 -5.580 669 HB3 SER 105 2HB SER 105 4.955 -3.966 -4.713 670 HG SER 105 HG SER 105 7.301 -5.180 -3.702 671 H LEU 106 H LEU 106 3.074 -5.202 -6.050 672 HA LEU 106 HA LEU 106 1.953 -6.743 -3.889 673 HB3 LEU 106 2HB LEU 106 -0.021 -5.641 -4.290 674 HG LEU 106 HG LEU 106 2.126 -3.957 -4.385 675 HD11 LEU 106 1HD1 LEU 106 1.033 -2.271 -6.162 676 HD12 LEU 106 2HD1 LEU 106 0.693 -3.806 -6.960 677 HD13 LEU 106 3HD1 LEU 106 2.354 -3.373 -6.552 678 HD21 LEU 106 3HD2 LEU 106 -0.078 -3.801 -3.148 679 HD22 LEU 106 1HD2 LEU 106 -0.723 -3.015 -4.589 680 HD23 LEU 106 2HD2 LEU 106 0.613 -2.277 -3.706 681 HA PRO 107 HA PRO 107 0.959 -10.447 -6.025 682 HB3 PRO 107 2HB PRO 107 0.169 -11.251 -4.024 683 HG3 PRO 107 2HG PRO 107 -0.965 -9.866 -2.539 684 HD3 PRO 107 2HD PRO 107 0.892 -8.566 -2.956 685 H CYS 108 H CYS 108 -1.707 -8.119 -5.746 686 HA CYS 108 HA CYS 108 -2.470 -8.779 -8.505 687 HB3 CYS 108 2HB CYS 108 -4.775 -7.968 -6.978 688 HG CYS 108 HG CYS 108 -5.572 -10.838 -7.664 689 H CYS 109 H CYS 109 -3.645 -7.067 -9.607 690 HA CYS 109 HA CYS 109 -2.440 -4.592 -9.440 691 HB3 CYS 109 2HB CYS 109 -3.788 -5.483 -11.366 692 HG CYS 109 HG CYS 109 -6.548 -4.794 -11.634 693 H LEU 110 H LEU 110 -2.922 -2.640 -8.497 694 HA LEU 110 HA LEU 110 -4.465 -2.757 -6.072 695 HB3 LEU 110 2HB LEU 110 -3.021 -0.461 -7.387 696 HG LEU 110 HG LEU 110 -4.489 -0.578 -4.829 697 HD11 LEU 110 1HD1 LEU 110 -2.611 1.278 -4.199 698 HD12 LEU 110 2HD1 LEU 110 -1.625 0.034 -4.967 699 HD13 LEU 110 3HD1 LEU 110 -2.637 -0.374 -3.582 700 HD21 LEU 110 3HD2 LEU 110 -5.372 1.097 -6.044 701 HD22 LEU 110 1HD2 LEU 110 -3.914 1.301 -7.016 702 HD23 LEU 110 2HD2 LEU 110 -4.010 2.022 -5.409 703 H ARG 111 H ARG 111 -6.420 -1.868 -5.650 704 HA ARG 111 HA ARG 111 -7.937 -0.890 -7.949 705 HB3 ARG 111 2HB ARG 111 -9.918 -1.294 -6.580 706 HG3 ARG 111 2HG ARG 111 -9.691 -3.720 -6.121 707 HD3 ARG 111 2HD ARG 111 -8.389 -3.009 -8.737 708 HE ARG 111 HE ARG 111 -9.319 -5.418 -7.871 709 HH11 ARG 111 1HH1 ARG 111 -10.242 -3.205 -10.395 710 HH12 ARG 111 2HH1 ARG 111 -10.840 -4.447 -11.445 711 HH21 ARG 111 1HH2 ARG 111 -10.104 -7.062 -9.243 712 HH22 ARG 111 2HH2 ARG 111 -10.761 -6.640 -10.788 713 H ILE 112 H ILE 112 -8.463 1.181 -8.197 714 HA ILE 112 HA ILE 112 -8.107 2.988 -5.895 715 HB ILE 112 HB ILE 112 -7.850 3.730 -8.809 716 HG13 ILE 112 2HG1 ILE 112 -6.066 2.170 -8.101 717 HG21 ILE 112 1HG2 ILE 112 -7.789 5.841 -8.123 718 HG22 ILE 112 2HG2 ILE 112 -8.223 5.286 -6.507 719 HG23 ILE 112 3HG2 ILE 112 -6.526 5.468 -6.951 720 HD11 ILE 112 3HD1 ILE 112 -5.417 3.863 -9.699 721 HD12 ILE 112 1HD1 ILE 112 -5.097 5.004 -8.392 722 HD13 ILE 112 2HD1 ILE 112 -4.103 3.557 -8.563 723 HA PRO 113 HA PRO 113 -12.589 3.090 -7.140 724 HB3 PRO 113 2HB PRO 113 -13.149 1.506 -5.574 725 HG3 PRO 113 2HG PRO 113 -11.797 1.122 -3.721 726 HD3 PRO 113 2HD PRO 113 -10.215 1.020 -5.395 727 H SER 114 H SER 114 -13.714 4.948 -7.277 728 HA SER 114 HA SER 114 -14.183 7.172 -7.122 729 HB3 SER 114 2HB SER 114 -13.728 6.450 -4.227 730 HG SER 114 HG SER 114 -13.802 8.493 -3.787 731 H LYS 115 H LYS 115 -12.105 7.432 -8.330 732 HA LYS 115 HA LYS 115 -10.590 9.544 -7.170 733 HB3 LYS 115 2HB LYS 115 -8.495 7.787 -7.842 734 HG3 LYS 115 2HG LYS 115 -9.432 9.193 -5.448 735 HD3 LYS 115 2HD LYS 115 -7.293 7.196 -4.950 736 HE3 LYS 115 2HE LYS 115 -8.643 9.121 -3.469 737 HZ1 LYS 115 3HZ LYS 115 -10.511 7.621 -3.186 738 HZ2 LYS 115 1HZ LYS 115 -9.697 7.830 -1.717 739 HZ3 LYS 115 2HZ LYS 115 -9.486 6.406 -2.606 Start of MODEL 2 1 H1 MET 1 H MET 1 -17.344 9.624 -0.181 2 HA MET 1 HA MET 1 -17.360 8.540 1.849 3 HB3 MET 1 2HB MET 1 -19.298 7.210 0.961 4 HG3 MET 1 2HG MET 1 -17.388 4.967 0.497 5 HE1 MET 1 3HE MET 1 -20.503 4.431 -2.381 6 HE2 MET 1 1HE MET 1 -18.890 5.143 -2.388 7 HE3 MET 1 2HE MET 1 -19.091 3.417 -2.083 8 H ASP 2 H ASP 2 -15.848 7.183 -0.977 9 HA ASP 2 HA ASP 2 -13.596 6.294 0.705 10 HB3 ASP 2 2HB ASP 2 -13.105 4.622 -1.083 11 H THR 3 H THR 3 -12.680 8.401 0.492 12 HA THR 3 HA THR 3 -11.669 9.026 -2.202 13 HB THR 3 HB THR 3 -11.236 11.152 -0.296 14 HG1 THR 3 1HG THR 3 -13.303 11.556 0.320 15 HG21 THR 3 3HG2 THR 3 -12.927 10.965 -2.792 16 HG22 THR 3 1HG2 THR 3 -11.225 11.421 -2.728 17 HG23 THR 3 2HG2 THR 3 -12.445 12.457 -1.986 18 H SER 4 H SER 4 -9.507 10.229 -2.130 19 HA SER 4 HA SER 4 -7.565 8.501 -1.026 20 HB3 SER 4 2HB SER 4 -6.218 9.555 -2.479 21 HG SER 4 HG SER 4 -7.427 10.284 -4.020 22 H LYS 5 H LYS 5 -9.041 11.445 0.099 23 HA LYS 5 HA LYS 5 -7.129 12.136 2.063 24 HB3 LYS 5 2HB LYS 5 -9.049 13.424 3.081 25 HG3 LYS 5 2HG LYS 5 -9.516 14.476 0.553 26 HD3 LYS 5 2HD LYS 5 -7.252 15.074 2.460 27 HE3 LYS 5 2HE LYS 5 -7.931 16.197 -0.050 28 HZ1 LYS 5 3HZ LYS 5 -9.379 17.776 0.602 29 HZ2 LYS 5 1HZ LYS 5 -7.978 18.585 1.094 30 HZ3 LYS 5 2HZ LYS 5 -8.900 17.730 2.224 31 H PHE 6 H PHE 6 -9.683 9.797 1.964 32 HA PHE 6 HA PHE 6 -9.644 9.380 4.841 33 HB3 PHE 6 2HB PHE 6 -11.076 7.340 3.395 34 HD1 PHE 6 1HD PHE 6 -12.141 10.699 4.594 35 HD2 PHE 6 2HD PHE 6 -12.101 6.498 5.285 36 HE1 PHE 6 1HE PHE 6 -13.637 11.004 6.524 37 HE2 PHE 6 2HE PHE 6 -13.598 6.798 7.214 38 HZ PHE 6 HZ PHE 6 -14.368 9.053 7.836 39 H TRP 7 H TRP 7 -8.275 8.031 1.959 40 HA TRP 7 HA TRP 7 -7.383 5.628 3.358 41 HB3 TRP 7 2HB TRP 7 -6.319 5.236 0.985 42 HD1 TRP 7 HD TRP 7 -9.520 5.435 -0.543 43 HE1 TRP 7 1HE TRP 7 -10.984 3.374 -0.061 44 HE3 TRP 7 3HE TRP 7 -6.934 3.513 3.428 45 HZ2 TRP 7 2HZ TRP 7 -11.036 1.219 1.762 46 HZ3 TRP 7 3HZ TRP 7 -7.759 1.450 4.484 47 HH2 TRP 7 HH TRP 7 -9.768 0.328 3.668 48 H TYR 8 H TYR 8 -6.346 8.743 2.989 49 HA TYR 8 HA TYR 8 -3.507 7.972 3.135 50 HB3 TYR 8 2HB TYR 8 -4.747 10.595 2.277 51 HD1 TYR 8 2HD TYR 8 -3.388 11.945 3.839 52 HD2 TYR 8 1HD TYR 8 -1.589 9.300 1.033 53 HE1 TYR 8 2HE TYR 8 -1.230 13.079 4.162 54 HE2 TYR 8 1HE TYR 8 0.575 10.428 1.349 55 HH TYR 8 HH TYR 8 1.289 12.855 2.128 56 H LYS 9 H LYS 9 -2.857 7.893 5.180 57 HA LYS 9 HA LYS 9 -3.441 10.172 6.924 58 HB3 LYS 9 2HB LYS 9 -3.692 8.465 8.829 59 HG3 LYS 9 2HG LYS 9 -5.857 8.594 6.740 60 HD3 LYS 9 2HD LYS 9 -6.145 8.091 9.695 61 HE3 LYS 9 2HE LYS 9 -8.141 7.312 7.635 62 HZ1 LYS 9 3HZ LYS 9 -8.593 8.610 10.252 63 HZ2 LYS 9 1HZ LYS 9 -8.309 6.946 10.130 64 HZ3 LYS 9 2HZ LYS 9 -9.650 7.635 9.362 65 HA PRO 10 HA PRO 10 1.002 9.609 7.224 66 HB3 PRO 10 2HB PRO 10 1.185 11.855 6.774 67 HG3 PRO 10 2HG PRO 10 -0.511 13.337 7.355 68 HD3 PRO 10 2HD PRO 10 -1.747 11.728 6.261 69 H HIS 11 H HIS 11 -1.150 10.564 9.868 70 HA HIS 11 HA HIS 11 0.723 9.783 11.910 71 HB3 HIS 11 2HB HIS 11 -1.535 10.025 13.301 72 HD1 HIS 11 1HD HIS 11 -0.948 11.741 14.976 73 HD2 HIS 11 2HD HIS 11 0.428 12.751 11.188 74 HE1 HIS 11 1HE HIS 11 0.346 13.876 15.279 75 H LEU 12 H LEU 12 -1.103 8.040 9.819 76 HA LEU 12 HA LEU 12 -2.120 6.032 11.604 77 HB3 LEU 12 2HB LEU 12 -1.752 6.005 8.611 78 HG LEU 12 HG LEU 12 -2.103 3.714 9.633 79 HD11 LEU 12 1HD1 LEU 12 -4.417 3.206 10.330 80 HD12 LEU 12 2HD1 LEU 12 -4.779 4.932 10.294 81 HD13 LEU 12 3HD1 LEU 12 -3.590 4.306 11.435 82 HD21 LEU 12 3HD2 LEU 12 -3.322 3.046 7.815 83 HD22 LEU 12 1HD2 LEU 12 -2.839 4.658 7.288 84 HD23 LEU 12 2HD2 LEU 12 -4.456 4.392 7.940 85 H SER 13 H SER 13 -1.057 4.354 12.420 86 HA SER 13 HA SER 13 1.710 3.928 11.720 87 HB3 SER 13 2HB SER 13 1.775 3.317 13.874 88 HG SER 13 HG SER 13 -0.359 2.931 14.964 89 H ARG 14 H ARG 14 2.571 1.781 11.229 90 HA ARG 14 HA ARG 14 1.426 0.651 8.960 91 HB3 ARG 14 2HB ARG 14 3.379 -0.612 10.893 92 HG3 ARG 14 2HG ARG 14 3.667 -1.253 8.074 93 HD3 ARG 14 2HD ARG 14 3.567 -3.603 9.246 94 HE ARG 14 HE ARG 14 5.699 -1.776 8.951 95 HH11 ARG 14 1HH1 ARG 14 4.839 -4.715 10.610 96 HH12 ARG 14 2HH1 ARG 14 6.471 -5.292 10.705 97 HH21 ARG 14 1HH2 ARG 14 7.850 -2.525 9.071 98 HH22 ARG 14 2HH2 ARG 14 8.182 -4.045 9.831 99 H ASP 15 H ASP 15 1.404 -0.554 12.306 100 HA ASP 15 HA ASP 15 -0.016 -2.907 11.876 101 HB3 ASP 15 2HB ASP 15 0.142 -1.076 14.267 102 H GLN 16 H GLN 16 -1.200 0.370 12.499 103 HA GLN 16 HA GLN 16 -3.932 -0.272 12.683 104 HB3 GLN 16 2HB GLN 16 -4.324 2.119 12.224 105 HG3 GLN 16 2HG GLN 16 -2.553 3.052 13.901 106 HE21 GLN 16 1HE2 GLN 16 -4.163 3.905 15.022 107 HE22 GLN 16 2HE2 GLN 16 -5.364 3.022 15.894 108 H ALA 17 H ALA 17 -1.894 0.586 9.925 109 HA ALA 17 HA ALA 17 -3.948 0.759 8.006 110 HB1 ALA 17 1HB ALA 17 -2.150 0.494 6.347 111 HB2 ALA 17 2HB ALA 17 -1.747 1.679 7.589 112 HB3 ALA 17 3HB ALA 17 -1.035 0.066 7.646 113 H ILE 18 H ILE 18 -1.947 -1.945 9.098 114 HA ILE 18 HA ILE 18 -2.847 -3.820 7.189 115 HB ILE 18 HB ILE 18 -1.785 -4.323 9.972 116 HG13 ILE 18 2HG1 ILE 18 -0.349 -3.018 8.282 117 HG21 ILE 18 1HG2 ILE 18 -2.968 -6.257 9.105 118 HG22 ILE 18 2HG2 ILE 18 -2.045 -6.173 7.606 119 HG23 ILE 18 3HG2 ILE 18 -1.232 -6.561 9.122 120 HD11 ILE 18 3HD1 ILE 18 0.483 -5.450 9.752 121 HD12 ILE 18 1HD1 ILE 18 1.622 -4.747 8.604 122 HD13 ILE 18 2HD1 ILE 18 1.002 -3.776 9.939 123 H ALA 19 H ALA 19 -3.969 -3.004 10.444 124 HA ALA 19 HA ALA 19 -5.926 -5.044 10.619 125 HB1 ALA 19 1HB ALA 19 -4.883 -3.470 12.446 126 HB2 ALA 19 2HB ALA 19 -6.282 -2.466 12.065 127 HB3 ALA 19 3HB ALA 19 -6.512 -4.120 12.631 128 H LEU 20 H LEU 20 -5.971 -1.754 9.375 129 HA LEU 20 HA LEU 20 -8.801 -1.625 9.035 130 HB3 LEU 20 2HB LEU 20 -6.800 -0.012 7.485 131 HG LEU 20 HG LEU 20 -9.378 0.300 7.241 132 HD11 LEU 20 1HD1 LEU 20 -10.387 1.764 8.841 133 HD12 LEU 20 2HD1 LEU 20 -8.880 1.898 9.746 134 HD13 LEU 20 3HD1 LEU 20 -9.749 0.364 9.702 135 HD21 LEU 20 3HD2 LEU 20 -7.251 1.847 6.695 136 HD22 LEU 20 1HD2 LEU 20 -8.092 2.887 7.846 137 HD23 LEU 20 2HD2 LEU 20 -8.917 2.340 6.386 138 H LEU 21 H LEU 21 -6.124 -2.732 7.086 139 HA LEU 21 HA LEU 21 -7.609 -2.880 4.639 140 HB3 LEU 21 2HB LEU 21 -5.570 -4.514 4.150 141 HG LEU 21 HG LEU 21 -5.137 -1.542 4.442 142 HD11 LEU 21 1HD1 LEU 21 -3.045 -2.795 4.279 143 HD12 LEU 21 2HD1 LEU 21 -3.351 -1.856 2.818 144 HD13 LEU 21 3HD1 LEU 21 -3.637 -3.595 2.823 145 HD21 LEU 21 3HD2 LEU 21 -6.457 -1.285 2.679 146 HD22 LEU 21 1HD2 LEU 21 -6.828 -3.010 2.707 147 HD23 LEU 21 2HD2 LEU 21 -5.466 -2.416 1.756 148 H LYS 22 H LYS 22 -6.684 -5.160 7.175 149 HA LYS 22 HA LYS 22 -7.792 -7.445 5.869 150 HB3 LYS 22 2HB LYS 22 -5.992 -7.446 7.663 151 HG3 LYS 22 2HG LYS 22 -8.379 -7.200 9.484 152 HD3 LYS 22 2HD LYS 22 -5.517 -7.445 10.341 153 HE3 LYS 22 2HE LYS 22 -7.640 -6.758 11.768 154 HZ1 LYS 22 3HZ LYS 22 -7.748 -9.712 11.653 155 HZ2 LYS 22 1HZ LYS 22 -9.014 -8.607 11.452 156 HZ3 LYS 22 2HZ LYS 22 -8.336 -8.847 12.983 157 H ASP 23 H ASP 23 -9.203 -4.805 7.343 158 HA ASP 23 HA ASP 23 -11.617 -6.328 8.064 159 HB3 ASP 23 2HB ASP 23 -10.984 -3.486 8.863 160 H LYS 24 H LYS 24 -10.384 -4.741 5.531 161 HA LYS 24 HA LYS 24 -12.990 -3.615 4.735 162 HB3 LYS 24 2HB LYS 24 -11.069 -2.541 3.021 163 HG3 LYS 24 2HG LYS 24 -13.022 -1.579 4.770 164 HD3 LYS 24 2HD LYS 24 -11.630 0.531 5.467 165 HE3 LYS 24 2HE LYS 24 -10.878 -1.074 7.550 166 HZ1 LYS 24 3HZ LYS 24 -13.705 -0.557 7.523 167 HZ2 LYS 24 1HZ LYS 24 -12.780 0.794 7.095 168 HZ3 LYS 24 2HZ LYS 24 -12.511 0.018 8.574 169 H ASP 25 H ASP 25 -13.137 -3.507 2.232 170 HA ASP 25 HA ASP 25 -13.166 -6.150 1.263 171 HB3 ASP 25 2HB ASP 25 -13.587 -4.970 -0.985 172 HA PRO 26 HA PRO 26 -9.167 -6.784 -0.427 173 HB3 PRO 26 2HB PRO 26 -9.863 -8.904 -0.980 174 HG3 PRO 26 2HG PRO 26 -12.029 -9.298 -1.730 175 HD3 PRO 26 2HD PRO 26 -12.482 -8.063 0.163 176 H GLY 27 H GLY 27 -7.726 -6.035 -1.976 177 HA2 GLY 27 2HA GLY 27 -7.083 -5.016 -3.998 178 HA3 GLY 27 3HA GLY 27 -8.771 -4.650 -4.324 179 H ALA 28 H ALA 28 -8.817 -3.651 -1.388 180 HA ALA 28 HA ALA 28 -8.469 -0.901 -2.034 181 HB1 ALA 28 1HB ALA 28 -9.896 -0.734 -0.344 182 HB2 ALA 28 2HB ALA 28 -9.636 -2.426 0.085 183 HB3 ALA 28 3HB ALA 28 -8.598 -1.174 0.766 184 H PHE 29 H PHE 29 -6.980 0.590 -1.188 185 HA PHE 29 HA PHE 29 -4.616 -0.495 0.155 186 HB3 PHE 29 2HB PHE 29 -4.242 -0.453 -2.345 187 HD1 PHE 29 2HD PHE 29 -6.376 1.020 -3.057 188 HD2 PHE 29 1HD PHE 29 -2.483 2.517 -2.208 189 HE1 PHE 29 2HE PHE 29 -6.853 3.019 -4.411 190 HE2 PHE 29 1HE PHE 29 -2.954 4.518 -3.560 191 HZ PHE 29 HZ PHE 29 -5.141 4.771 -4.664 192 H LEU 30 H LEU 30 -3.157 1.270 0.935 193 HA LEU 30 HA LEU 30 -4.361 3.887 1.240 194 HB3 LEU 30 2HB LEU 30 -5.308 2.359 3.038 195 HG LEU 30 HG LEU 30 -2.859 1.473 3.593 196 HD11 LEU 30 1HD1 LEU 30 -1.625 3.126 4.470 197 HD12 LEU 30 2HD1 LEU 30 -2.547 2.807 5.937 198 HD13 LEU 30 3HD1 LEU 30 -3.035 4.113 4.857 199 HD21 LEU 30 3HD2 LEU 30 -4.063 0.295 5.037 200 HD22 LEU 30 1HD2 LEU 30 -5.394 1.433 4.824 201 HD23 LEU 30 2HD2 LEU 30 -4.207 1.693 6.104 202 H ILE 31 H ILE 31 -2.909 5.389 2.424 203 HA ILE 31 HA ILE 31 -0.091 4.546 2.271 204 HB ILE 31 HB ILE 31 -1.196 7.217 1.394 205 HG13 ILE 31 2HG1 ILE 31 -1.001 4.771 0.002 206 HG21 ILE 31 1HG2 ILE 31 1.606 6.158 1.623 207 HG22 ILE 31 2HG2 ILE 31 1.192 7.522 0.585 208 HG23 ILE 31 3HG2 ILE 31 0.926 7.626 2.325 209 HD11 ILE 31 3HD1 ILE 31 -1.178 6.683 -1.962 210 HD12 ILE 31 1HD1 ILE 31 -2.527 5.949 -1.096 211 HD13 ILE 31 2HD1 ILE 31 -1.857 7.486 -0.546 212 H ARG 32 H ARG 32 1.253 5.267 3.866 213 HA ARG 32 HA ARG 32 0.209 7.185 5.816 214 HB3 ARG 32 2HB ARG 32 -0.270 4.817 6.563 215 HG3 ARG 32 2HG ARG 32 2.579 4.593 7.377 216 HD3 ARG 32 2HD ARG 32 0.183 2.864 7.123 217 HE ARG 32 HE ARG 32 2.643 1.366 7.239 218 HH11 ARG 32 1HH1 ARG 32 0.103 2.587 5.196 219 HH12 ARG 32 2HH1 ARG 32 0.354 1.405 3.955 220 HH21 ARG 32 1HH2 ARG 32 2.983 -0.197 5.612 221 HH22 ARG 32 2HH2 ARG 32 1.992 -0.179 4.193 222 H ASP 33 H ASP 33 1.926 7.905 7.355 223 HA ASP 33 HA ASP 33 4.219 8.740 5.932 224 HB3 ASP 33 2HB ASP 33 4.005 8.762 8.935 225 H SER 34 H SER 34 5.991 7.630 5.483 226 HA SER 34 HA SER 34 6.559 5.157 6.889 227 HB3 SER 34 2HB SER 34 8.255 6.334 4.698 228 HG SER 34 HG SER 34 7.710 3.708 4.557 229 H HIS 35 H HIS 35 7.282 5.762 8.912 230 HA HIS 35 HA HIS 35 9.264 7.753 9.344 231 HB3 HIS 35 2HB HIS 35 7.674 7.087 11.096 232 HD1 HIS 35 1HD HIS 35 10.257 4.396 11.705 233 HD2 HIS 35 2HD HIS 35 6.155 4.806 11.193 234 HE1 HIS 35 1HE HIS 35 9.285 2.137 12.229 235 H SER 36 H SER 36 9.438 4.621 8.128 236 HA SER 36 HA SER 36 11.772 3.568 9.179 237 HB3 SER 36 2HB SER 36 10.601 3.386 6.401 238 HG SER 36 HG SER 36 12.249 2.226 5.808 239 H PHE 37 H PHE 37 11.532 5.429 6.142 240 HA PHE 37 HA PHE 37 14.164 6.587 6.724 241 HB3 PHE 37 2HB PHE 37 14.147 6.289 3.959 242 HD1 PHE 37 1HD PHE 37 16.214 7.115 5.593 243 HD2 PHE 37 2HD PHE 37 15.070 3.109 4.724 244 HE1 PHE 37 1HE PHE 37 18.498 6.355 6.104 245 HE2 PHE 37 2HE PHE 37 17.351 2.342 5.235 246 HZ PHE 37 HZ PHE 37 19.069 3.966 5.927 247 H GLN 38 H GLN 38 14.607 8.569 5.572 248 HA GLN 38 HA GLN 38 12.350 10.286 5.470 249 HB3 GLN 38 2HB GLN 38 14.097 11.907 4.470 250 HG3 GLN 38 2HG GLN 38 14.590 10.658 7.163 251 HE21 GLN 38 1HE2 GLN 38 16.847 11.169 5.867 252 HE22 GLN 38 2HE2 GLN 38 17.564 12.647 6.403 253 H GLY 39 H GLY 39 11.330 11.260 3.737 254 HA2 GLY 39 2HA GLY 39 10.567 11.510 1.584 255 HA3 GLY 39 3HA GLY 39 12.147 10.971 1.039 256 H ALA 40 H ALA 40 10.039 9.073 3.103 257 HA ALA 40 HA ALA 40 9.484 7.284 0.830 258 HB1 ALA 40 1HB ALA 40 11.280 6.317 2.157 259 HB2 ALA 40 2HB ALA 40 10.288 6.434 3.611 260 HB3 ALA 40 3HB ALA 40 9.811 5.353 2.301 261 H TYR 41 H TYR 41 7.556 6.047 0.979 262 HA TYR 41 HA TYR 41 5.660 6.921 3.050 263 HB3 TYR 41 2HB TYR 41 3.919 6.766 1.111 264 HD1 TYR 41 2HD TYR 41 3.165 8.562 2.582 265 HD2 TYR 41 1HD TYR 41 6.497 9.101 -0.009 266 HE1 TYR 41 2HE TYR 41 3.027 10.995 2.920 267 HE2 TYR 41 1HE TYR 41 6.368 11.535 0.323 268 HH TYR 41 HH TYR 41 4.844 12.983 2.738 269 H GLY 42 H GLY 42 4.495 5.328 3.949 270 HA2 GLY 42 2HA GLY 42 5.040 2.606 3.134 271 HA3 GLY 42 3HA GLY 42 4.107 3.112 4.535 272 H LEU 43 H LEU 43 3.943 1.699 1.526 273 HA LEU 43 HA LEU 43 1.124 2.429 1.145 274 HB3 LEU 43 2HB LEU 43 3.085 1.080 -0.706 275 HG LEU 43 HG LEU 43 0.712 0.384 -1.163 276 HD11 LEU 43 1HD1 LEU 43 0.281 3.179 -0.848 277 HD12 LEU 43 2HD1 LEU 43 -0.900 1.900 -1.131 278 HD13 LEU 43 3HD1 LEU 43 -0.147 2.722 -2.498 279 HD21 LEU 43 3HD2 LEU 43 0.934 0.616 -3.506 280 HD22 LEU 43 1HD2 LEU 43 2.575 0.543 -2.863 281 HD23 LEU 43 2HD2 LEU 43 1.884 2.093 -3.344 282 H ALA 44 H ALA 44 -0.425 1.037 1.668 283 HA ALA 44 HA ALA 44 0.312 -1.792 2.051 284 HB1 ALA 44 1HB ALA 44 -1.913 -0.373 3.496 285 HB2 ALA 44 2HB ALA 44 -1.209 -1.949 3.858 286 HB3 ALA 44 3HB ALA 44 -0.269 -0.482 4.127 287 H LEU 45 H LEU 45 -0.923 -3.336 1.107 288 HA LEU 45 HA LEU 45 -3.400 -2.511 -0.237 289 HB3 LEU 45 2HB LEU 45 -1.090 -4.012 -1.445 290 HG LEU 45 HG LEU 45 -3.055 -5.187 -2.231 291 HD11 LEU 45 1HD1 LEU 45 -4.223 -2.568 -2.141 292 HD12 LEU 45 2HD1 LEU 45 -5.006 -4.138 -2.322 293 HD13 LEU 45 3HD1 LEU 45 -4.429 -3.273 -3.745 294 HD21 LEU 45 3HD2 LEU 45 -1.269 -4.808 -3.830 295 HD22 LEU 45 1HD2 LEU 45 -1.971 -3.253 -4.277 296 HD23 LEU 45 2HD2 LEU 45 -2.837 -4.748 -4.638 297 H LYS 46 H LYS 46 -5.000 -4.053 -0.341 298 HA LYS 46 HA LYS 46 -4.564 -6.416 1.334 299 HB3 LYS 46 2HB LYS 46 -7.261 -5.618 0.326 300 HG3 LYS 46 2HG LYS 46 -7.962 -6.259 2.588 301 HD3 LYS 46 2HD LYS 46 -6.267 -8.535 1.692 302 HE3 LYS 46 2HE LYS 46 -8.101 -8.676 3.424 303 HZ1 LYS 46 3HZ LYS 46 -10.007 -8.713 1.191 304 HZ2 LYS 46 1HZ LYS 46 -9.615 -7.230 1.907 305 HZ3 LYS 46 2HZ LYS 46 -10.290 -8.469 2.841 306 H VAL 47 H VAL 47 -4.522 -8.411 0.517 307 HA VAL 47 HA VAL 47 -5.231 -8.754 -2.320 308 HB VAL 47 HB VAL 47 -3.722 -10.639 -2.386 309 HG11 VAL 47 1HG1 VAL 47 -1.568 -9.464 -1.797 310 HG12 VAL 47 2HG1 VAL 47 -2.658 -8.576 -2.864 311 HG13 VAL 47 3HG1 VAL 47 -2.558 -8.154 -1.154 312 HG21 VAL 47 3HG2 VAL 47 -3.494 -11.813 -0.497 313 HG22 VAL 47 1HG2 VAL 47 -2.264 -10.627 -0.055 314 HG23 VAL 47 2HG2 VAL 47 -3.922 -10.432 0.514 315 H ALA 48 H ALA 48 -6.221 -10.769 -2.960 316 HA ALA 48 HA ALA 48 -8.495 -11.441 -1.544 317 HB1 ALA 48 1HB ALA 48 -7.174 -12.348 -3.919 318 HB2 ALA 48 2HB ALA 48 -7.815 -13.727 -3.024 319 HB3 ALA 48 3HB ALA 48 -8.886 -12.410 -3.501 320 H THR 49 H THR 49 -5.691 -13.615 -1.937 321 HA THR 49 HA THR 49 -5.442 -14.229 0.802 322 HB THR 49 HB THR 49 -6.223 -16.780 0.109 323 HG1 THR 49 1HG THR 49 -7.618 -16.555 -1.464 324 HG21 THR 49 3HG2 THR 49 -6.669 -15.145 2.154 325 HG22 THR 49 1HG2 THR 49 -7.650 -16.584 1.885 326 HG23 THR 49 2HG2 THR 49 -8.245 -15.005 1.375 327 HA PRO 50 HA PRO 50 -1.689 -16.013 -0.607 328 HB3 PRO 50 2HB PRO 50 -1.064 -16.198 1.596 329 HG3 PRO 50 2HG PRO 50 -2.607 -16.788 3.233 330 HD3 PRO 50 2HD PRO 50 -3.768 -15.095 2.186 331 HA PRO 51 HA PRO 51 -2.281 -19.650 -3.006 332 HB3 PRO 51 2HB PRO 51 -0.146 -19.367 -3.805 333 HG3 PRO 51 2HG PRO 51 1.571 -18.646 -2.414 334 HD3 PRO 51 2HD PRO 51 -0.027 -17.056 -1.930 335 HA PRO 52 HA PRO 52 -3.240 -23.207 -0.604 336 HB3 PRO 52 2HB PRO 52 -4.053 -24.177 -2.522 337 HG3 PRO 52 2HG PRO 52 -2.979 -23.882 -4.564 338 HD3 PRO 52 2HD PRO 52 -3.119 -21.689 -3.869 339 H SER 53 H SER 53 -0.075 -23.307 -2.187 340 HA SER 53 HA SER 53 1.969 -23.984 -1.443 341 HB3 SER 53 2HB SER 53 0.843 -22.958 0.785 342 HG SER 53 HG SER 53 1.675 -25.029 2.171 343 H ALA 54 H ALA 54 -0.308 -25.842 -2.233 344 HA ALA 54 HA ALA 54 -0.568 -28.072 -2.613 345 HB1 ALA 54 1HB ALA 54 1.312 -29.307 -2.929 346 HB2 ALA 54 2HB ALA 54 2.059 -27.714 -2.818 347 HB3 ALA 54 3HB ALA 54 2.048 -28.782 -1.415 348 H GLN 55 H GLN 55 -1.612 -27.034 -0.238 349 HA GLN 55 HA GLN 55 -2.224 -29.349 1.191 350 HB3 GLN 55 2HB GLN 55 -0.964 -28.091 3.337 351 HG3 GLN 55 2HG GLN 55 0.537 -30.270 2.047 352 HE21 GLN 55 1HE2 GLN 55 1.368 -31.662 3.571 353 HE22 GLN 55 2HE2 GLN 55 1.287 -31.351 5.267 354 HA PRO 56 HA PRO 56 -5.431 -26.732 2.645 355 HB3 PRO 56 2HB PRO 56 -6.496 -28.632 3.374 356 HG3 PRO 56 2HG PRO 56 -5.299 -30.402 4.292 357 HD3 PRO 56 2HD PRO 56 -4.086 -30.061 2.362 358 H TRP 57 H TRP 57 -5.989 -25.148 4.201 359 HA TRP 57 HA TRP 57 -3.949 -24.587 6.243 360 HB3 TRP 57 2HB TRP 57 -4.911 -22.096 5.347 361 HD1 TRP 57 HD TRP 57 -1.976 -23.674 3.474 362 HE1 TRP 57 1HE TRP 57 0.217 -22.718 4.424 363 HE3 TRP 57 3HE TRP 57 -3.874 -21.088 7.455 364 HZ2 TRP 57 2HZ TRP 57 1.035 -21.085 6.576 365 HZ3 TRP 57 3HZ TRP 57 -2.319 -19.855 8.910 366 HH2 TRP 57 HH TRP 57 0.084 -19.855 8.478 367 H LYS 58 H LYS 58 -4.748 -24.104 8.192 368 HA LYS 58 HA LYS 58 -7.599 -23.387 8.384 369 HB3 LYS 58 2HB LYS 58 -6.172 -24.978 10.500 370 HG3 LYS 58 2HG LYS 58 -8.973 -25.537 9.895 371 HD3 LYS 58 2HD LYS 58 -9.129 -25.263 12.373 372 HE3 LYS 58 2HE LYS 58 -6.763 -27.002 11.851 373 HZ1 LYS 58 3HZ LYS 58 -7.997 -27.024 13.985 374 HZ2 LYS 58 1HZ LYS 58 -7.968 -28.525 13.205 375 HZ3 LYS 58 2HZ LYS 58 -9.366 -27.575 13.156 376 H GLY 59 H GLY 59 -5.916 -21.337 8.210 377 HA2 GLY 59 2HA GLY 59 -6.027 -20.209 10.898 378 HA3 GLY 59 3HA GLY 59 -4.443 -20.266 10.139 379 H ASP 60 H ASP 60 -5.302 -17.851 10.851 380 HA ASP 60 HA ASP 60 -6.190 -16.624 8.322 381 HB3 ASP 60 2HB ASP 60 -6.813 -14.691 10.052 382 HA PRO 61 HA PRO 61 -1.872 -15.198 9.369 383 HB3 PRO 61 2HB PRO 61 -0.898 -16.909 8.184 384 HG3 PRO 61 2HG PRO 61 -2.065 -18.023 6.508 385 HD3 PRO 61 2HD PRO 61 -3.617 -18.127 8.208 386 H VAL 62 H VAL 62 -3.205 -13.169 9.406 387 HA VAL 62 HA VAL 62 -3.927 -11.687 7.185 388 HB VAL 62 HB VAL 62 -2.850 -10.637 9.807 389 HG11 VAL 62 1HG1 VAL 62 -2.815 -8.927 8.077 390 HG12 VAL 62 2HG1 VAL 62 -4.501 -9.268 7.686 391 HG13 VAL 62 3HG1 VAL 62 -4.080 -8.588 9.258 392 HG21 VAL 62 3HG2 VAL 62 -5.737 -10.895 9.020 393 HG22 VAL 62 1HG2 VAL 62 -4.868 -12.206 9.820 394 HG23 VAL 62 2HG2 VAL 62 -5.047 -10.647 10.624 395 H GLU 63 H GLU 63 -0.769 -12.261 8.526 396 HA GLU 63 HA GLU 63 0.671 -10.130 7.477 397 HB3 GLU 63 2HB GLU 63 2.427 -12.228 7.253 398 HG3 GLU 63 2HG GLU 63 1.635 -10.559 9.603 399 H GLN 64 H GLN 64 -0.707 -12.884 5.893 400 HA GLN 64 HA GLN 64 0.770 -12.321 3.429 401 HB3 GLN 64 2HB GLN 64 -0.290 -14.423 2.604 402 HG3 GLN 64 2HG GLN 64 1.443 -14.380 5.008 403 HE21 GLN 64 1HE2 GLN 64 2.179 -16.241 6.005 404 HE22 GLN 64 2HE2 GLN 64 1.291 -17.723 5.976 405 H LEU 65 H LEU 65 -2.352 -11.993 4.880 406 HA LEU 65 HA LEU 65 -3.800 -11.608 2.439 407 HB3 LEU 65 2HB LEU 65 -5.663 -11.098 3.789 408 HG LEU 65 HG LEU 65 -3.984 -13.040 5.372 409 HD11 LEU 65 1HD1 LEU 65 -6.908 -13.135 5.598 410 HD12 LEU 65 2HD1 LEU 65 -6.145 -11.738 6.358 411 HD13 LEU 65 3HD1 LEU 65 -5.662 -13.368 6.824 412 HD21 LEU 65 3HD2 LEU 65 -4.792 -14.688 4.047 413 HD22 LEU 65 1HD2 LEU 65 -4.898 -13.371 2.877 414 HD23 LEU 65 2HD2 LEU 65 -6.331 -13.867 3.777 415 H VAL 66 H VAL 66 -1.793 -9.654 4.403 416 HA VAL 66 HA VAL 66 -2.589 -7.284 2.847 417 HB VAL 66 HB VAL 66 -1.787 -7.298 5.760 418 HG11 VAL 66 1HG1 VAL 66 -1.976 -5.171 3.730 419 HG12 VAL 66 2HG1 VAL 66 -2.721 -4.814 5.288 420 HG13 VAL 66 3HG1 VAL 66 -1.015 -5.252 5.206 421 HG21 VAL 66 3HG2 VAL 66 -4.276 -7.788 4.616 422 HG22 VAL 66 1HG2 VAL 66 -3.947 -7.361 6.295 423 HG23 VAL 66 2HG2 VAL 66 -4.340 -6.102 5.124 424 H ARG 67 H ARG 67 -0.974 -6.499 1.677 425 HA ARG 67 HA ARG 67 1.785 -7.142 2.481 426 HB3 ARG 67 2HB ARG 67 2.155 -6.457 -0.045 427 HG3 ARG 67 2HG ARG 67 0.801 -9.081 0.154 428 HD3 ARG 67 2HD ARG 67 3.404 -8.038 -0.933 429 HE ARG 67 HE ARG 67 2.767 -10.772 -0.321 430 HH11 ARG 67 1HH1 ARG 67 4.495 -8.648 -2.473 431 HH12 ARG 67 2HH1 ARG 67 5.649 -9.852 -2.944 432 HH21 ARG 67 1HH2 ARG 67 4.281 -12.364 -0.933 433 HH22 ARG 67 2HH2 ARG 67 5.525 -11.965 -2.069 434 H HIS 68 H HIS 68 2.872 -5.508 3.334 435 HA HIS 68 HA HIS 68 2.265 -2.776 2.409 436 HB3 HIS 68 2HB HIS 68 1.576 -2.861 4.668 437 HD1 HIS 68 1HD HIS 68 4.918 -3.147 6.127 438 HD2 HIS 68 2HD HIS 68 1.639 -5.629 5.537 439 HE1 HIS 68 1HE HIS 68 5.282 -5.116 7.649 440 H PHE 69 H PHE 69 3.869 -1.740 1.430 441 HA PHE 69 HA PHE 69 6.639 -2.530 2.023 442 HB3 PHE 69 2HB PHE 69 7.156 -2.186 -0.409 443 HD1 PHE 69 2HD PHE 69 7.383 -4.377 1.460 444 HD2 PHE 69 1HD PHE 69 4.797 -3.937 -1.891 445 HE1 PHE 69 2HE PHE 69 7.252 -6.824 1.244 446 HE2 PHE 69 1HE PHE 69 4.660 -6.383 -2.112 447 HZ PHE 69 HZ PHE 69 5.890 -7.830 -0.544 448 H LEU 70 H LEU 70 8.232 -0.891 1.614 449 HA LEU 70 HA LEU 70 7.136 1.800 1.971 450 HB3 LEU 70 2HB LEU 70 8.636 1.289 3.689 451 HG LEU 70 HG LEU 70 10.218 -0.141 1.671 452 HD11 LEU 70 1HD1 LEU 70 11.681 1.798 2.142 453 HD12 LEU 70 2HD1 LEU 70 12.356 0.266 2.695 454 HD13 LEU 70 3HD1 LEU 70 11.633 1.381 3.854 455 HD21 LEU 70 3HD2 LEU 70 10.630 -0.579 4.545 456 HD22 LEU 70 1HD2 LEU 70 10.253 -1.727 3.260 457 HD23 LEU 70 2HD2 LEU 70 8.965 -0.771 3.994 458 H ILE 71 H ILE 71 7.138 3.200 0.349 459 HA ILE 71 HA ILE 71 8.758 2.619 -2.021 460 HB ILE 71 HB ILE 71 6.618 4.727 -1.791 461 HG13 ILE 71 2HG1 ILE 71 5.649 2.555 -1.187 462 HG21 ILE 71 1HG2 ILE 71 8.327 4.694 -3.689 463 HG22 ILE 71 2HG2 ILE 71 7.502 3.238 -4.242 464 HG23 ILE 71 3HG2 ILE 71 6.622 4.761 -4.134 465 HD11 ILE 71 3HD1 ILE 71 4.643 4.191 -3.116 466 HD12 ILE 71 1HD1 ILE 71 4.669 2.629 -3.933 467 HD13 ILE 71 2HD1 ILE 71 3.803 2.812 -2.407 468 H GLU 72 H GLU 72 10.365 3.914 -2.720 469 HA GLU 72 HA GLU 72 10.917 6.340 -1.141 470 HB3 GLU 72 2HB GLU 72 13.173 5.249 -2.644 471 HG3 GLU 72 2HG GLU 72 12.864 5.684 0.315 472 H THR 73 H THR 73 11.254 8.236 -2.175 473 HA THR 73 HA THR 73 11.150 8.193 -5.121 474 HB THR 73 HB THR 73 9.092 9.128 -4.312 475 HG1 THR 73 1HG THR 73 9.188 10.978 -5.467 476 HG21 THR 73 3HG2 THR 73 8.950 10.949 -2.762 477 HG22 THR 73 1HG2 THR 73 10.703 11.139 -2.744 478 HG23 THR 73 2HG2 THR 73 9.964 9.703 -2.036 479 H GLY 74 H GLY 74 12.913 8.944 -6.089 480 HA2 GLY 74 2HA GLY 74 14.491 11.023 -4.712 481 HA3 GLY 74 3HA GLY 74 15.276 9.620 -5.421 482 HA PRO 75 HA PRO 75 15.266 13.047 -8.552 483 HB3 PRO 75 2HB PRO 75 17.329 13.791 -7.869 484 HG3 PRO 75 2HG PRO 75 18.794 12.390 -6.732 485 HD3 PRO 75 2HD PRO 75 16.882 12.054 -5.491 486 H LYS 76 H LYS 76 15.756 9.706 -8.463 487 HA LYS 76 HA LYS 76 15.958 9.531 -11.393 488 HB3 LYS 76 2HB LYS 76 16.343 7.002 -10.701 489 HG3 LYS 76 2HG LYS 76 18.801 7.496 -10.331 490 HD3 LYS 76 2HD LYS 76 18.791 8.820 -12.687 491 HE3 LYS 76 2HE LYS 76 17.870 5.975 -12.662 492 HZ1 LYS 76 3HZ LYS 76 19.465 5.746 -14.390 493 HZ2 LYS 76 1HZ LYS 76 20.111 7.283 -14.101 494 HZ3 LYS 76 2HZ LYS 76 18.552 7.126 -14.739 495 H GLY 77 H GLY 77 13.658 9.650 -9.108 496 HA2 GLY 77 2HA GLY 77 11.366 9.323 -9.953 497 HA3 GLY 77 3HA GLY 77 11.911 7.776 -10.582 498 H VAL 78 H VAL 78 9.750 7.556 -9.152 499 HA VAL 78 HA VAL 78 10.599 6.805 -6.432 500 HB VAL 78 HB VAL 78 8.825 8.462 -6.408 501 HG11 VAL 78 1HG1 VAL 78 6.662 8.079 -7.404 502 HG12 VAL 78 2HG1 VAL 78 7.907 7.937 -8.647 503 HG13 VAL 78 3HG1 VAL 78 7.166 6.487 -7.969 504 HG21 VAL 78 3HG2 VAL 78 7.263 7.332 -4.983 505 HG22 VAL 78 1HG2 VAL 78 7.672 5.770 -5.693 506 HG23 VAL 78 2HG2 VAL 78 8.860 6.633 -4.714 507 H LYS 79 H LYS 79 10.594 4.724 -5.879 508 HA LYS 79 HA LYS 79 8.967 2.834 -7.425 509 HB3 LYS 79 2HB LYS 79 11.363 2.890 -8.247 510 HG3 LYS 79 2HG LYS 79 12.142 2.923 -5.687 511 HD3 LYS 79 2HD LYS 79 12.691 0.079 -6.431 512 HE3 LYS 79 2HE LYS 79 13.044 -0.178 -4.068 513 HZ1 LYS 79 3HZ LYS 79 14.865 0.846 -5.343 514 HZ2 LYS 79 1HZ LYS 79 14.868 1.315 -3.717 515 HZ3 LYS 79 2HZ LYS 79 14.301 2.378 -4.903 516 H ILE 80 H ILE 80 8.553 0.819 -6.328 517 HA ILE 80 HA ILE 80 8.380 1.193 -3.444 518 HB ILE 80 HB ILE 80 7.252 -1.085 -5.066 519 HG13 ILE 80 2HG1 ILE 80 6.291 1.703 -4.654 520 HG21 ILE 80 1HG2 ILE 80 7.309 -0.431 -2.267 521 HG22 ILE 80 2HG2 ILE 80 5.648 -0.496 -2.854 522 HG23 ILE 80 3HG2 ILE 80 6.712 -1.885 -3.065 523 HD11 ILE 80 3HD1 ILE 80 6.713 1.379 -6.877 524 HD12 ILE 80 1HD1 ILE 80 6.226 -0.315 -6.836 525 HD13 ILE 80 2HD1 ILE 80 5.003 0.955 -6.795 526 H LYS 81 H LYS 81 9.840 0.367 -2.117 527 HA LYS 81 HA LYS 81 11.875 -1.418 -3.002 528 HB3 LYS 81 2HB LYS 81 11.504 -1.179 -0.098 529 HG3 LYS 81 2HG LYS 81 13.820 -0.059 -0.418 530 HD3 LYS 81 2HD LYS 81 14.457 -2.653 -1.262 531 HE3 LYS 81 2HE LYS 81 14.360 -2.914 1.409 532 HZ1 LYS 81 3HZ LYS 81 16.463 -2.987 0.610 533 HZ2 LYS 81 1HZ LYS 81 16.526 -1.432 1.275 534 HZ3 LYS 81 2HZ LYS 81 16.273 -1.632 -0.385 535 H GLY 82 H GLY 82 11.513 -3.502 -3.391 536 HA2 GLY 82 2HA GLY 82 10.780 -5.335 -1.420 537 HA3 GLY 82 3HA GLY 82 9.332 -4.968 -2.346 538 H CYS 83 H CYS 83 10.837 -4.556 -4.832 539 HA CYS 83 HA CYS 83 11.683 -7.322 -5.375 540 HB3 CYS 83 2HB CYS 83 9.523 -7.230 -6.320 541 HG CYS 83 HG CYS 83 10.199 -4.267 -7.886 542 HA PRO 84 HA PRO 84 15.239 -5.661 -7.332 543 HB3 PRO 84 2HB PRO 84 15.945 -7.825 -7.640 544 HG3 PRO 84 2HG PRO 84 14.438 -9.514 -8.177 545 HD3 PRO 84 2HD PRO 84 13.358 -8.577 -6.369 546 H SER 85 H SER 85 12.279 -5.932 -9.032 547 HA SER 85 HA SER 85 12.887 -5.114 -11.596 548 HB3 SER 85 2HB SER 85 10.594 -4.097 -11.623 549 HG SER 85 HG SER 85 10.739 -6.625 -10.338 550 H GLU 86 H GLU 86 11.526 -2.824 -9.241 551 HA GLU 86 HA GLU 86 11.915 -0.615 -8.863 552 HB3 GLU 86 2HB GLU 86 14.163 0.145 -8.789 553 HG3 GLU 86 2HG GLU 86 14.560 -2.804 -8.449 554 HA PRO 87 HA PRO 87 11.274 0.192 -13.415 555 HB3 PRO 87 2HB PRO 87 9.116 -0.592 -13.366 556 HG3 PRO 87 2HG PRO 87 7.919 -0.689 -11.374 557 HD3 PRO 87 2HD PRO 87 9.865 -1.736 -10.719 558 H TYR 88 H TYR 88 10.685 2.012 -10.476 559 HA TYR 88 HA TYR 88 10.842 4.223 -9.961 560 HB3 TYR 88 2HB TYR 88 12.584 5.496 -11.357 561 HD1 TYR 88 1HD TYR 88 12.951 5.540 -8.839 562 HD2 TYR 88 2HD TYR 88 14.235 2.317 -11.304 563 HE1 TYR 88 1HE TYR 88 14.515 4.825 -7.081 564 HE2 TYR 88 2HE TYR 88 15.801 1.593 -9.551 565 HH TYR 88 HH TYR 88 16.912 2.385 -7.634 566 H PHE 89 H PHE 89 8.739 4.846 -10.436 567 HA PHE 89 HA PHE 89 8.151 5.815 -13.125 568 HB3 PHE 89 2HB PHE 89 5.836 6.035 -12.310 569 HD1 PHE 89 2HD PHE 89 6.228 4.346 -14.202 570 HD2 PHE 89 1HD PHE 89 6.385 3.338 -10.069 571 HE1 PHE 89 2HE PHE 89 5.868 1.980 -14.768 572 HE2 PHE 89 1HE PHE 89 6.026 0.970 -10.630 573 HZ PHE 89 HZ PHE 89 5.766 0.287 -12.982 574 H GLY 90 H GLY 90 6.420 7.835 -12.763 575 HA2 GLY 90 2HA GLY 90 8.109 10.047 -12.258 576 HA3 GLY 90 3HA GLY 90 6.373 10.118 -12.529 577 H SER 91 H SER 91 4.988 9.552 -10.646 578 HA SER 91 HA SER 91 6.275 10.148 -8.074 579 HB3 SER 91 2HB SER 91 4.759 11.850 -7.518 580 HG SER 91 HG SER 91 6.175 12.538 -9.195 581 H LEU 92 H LEU 92 4.283 10.038 -6.349 582 HA LEU 92 HA LEU 92 3.718 7.360 -6.002 583 HB3 LEU 92 2HB LEU 92 1.706 8.393 -4.608 584 HG LEU 92 HG LEU 92 4.570 8.911 -3.807 585 HD11 LEU 92 1HD1 LEU 92 2.284 8.520 -1.924 586 HD12 LEU 92 2HD1 LEU 92 2.608 10.114 -2.606 587 HD13 LEU 92 3HD1 LEU 92 3.844 9.296 -1.650 588 HD21 LEU 92 3HD2 LEU 92 4.502 6.626 -4.078 589 HD22 LEU 92 1HD2 LEU 92 2.790 6.519 -3.669 590 HD23 LEU 92 2HD2 LEU 92 3.984 6.793 -2.399 591 H SER 93 H SER 93 1.860 9.813 -7.699 592 HA SER 93 HA SER 93 -0.479 8.234 -8.059 593 HB3 SER 93 2HB SER 93 -0.454 10.053 -10.153 594 HG SER 93 HG SER 93 -2.077 10.804 -9.034 595 H ALA 94 H ALA 94 2.488 8.673 -9.878 596 HA ALA 94 HA ALA 94 1.643 7.400 -12.262 597 HB1 ALA 94 1HB ALA 94 3.624 8.882 -12.080 598 HB2 ALA 94 2HB ALA 94 4.454 7.603 -11.192 599 HB3 ALA 94 3HB ALA 94 3.967 7.342 -12.867 600 H LEU 95 H LEU 95 3.373 6.215 -9.395 601 HA LEU 95 HA LEU 95 3.616 3.546 -10.368 602 HB3 LEU 95 2HB LEU 95 5.194 4.267 -8.759 603 HG LEU 95 HG LEU 95 3.474 5.886 -7.574 604 HD11 LEU 95 1HD1 LEU 95 3.542 3.885 -5.408 605 HD12 LEU 95 2HD1 LEU 95 2.393 3.586 -6.712 606 HD13 LEU 95 3HD1 LEU 95 2.321 5.095 -5.804 607 HD21 LEU 95 3HD2 LEU 95 5.174 5.133 -5.461 608 HD22 LEU 95 1HD2 LEU 95 5.407 6.430 -6.632 609 HD23 LEU 95 2HD2 LEU 95 6.057 4.823 -6.957 610 H VAL 96 H VAL 96 1.241 5.281 -8.475 611 HA VAL 96 HA VAL 96 -0.175 3.007 -7.525 612 HB VAL 96 HB VAL 96 -0.863 5.918 -7.778 613 HG11 VAL 96 1HG1 VAL 96 -3.001 5.215 -8.101 614 HG12 VAL 96 2HG1 VAL 96 -2.712 3.638 -7.364 615 HG13 VAL 96 3HG1 VAL 96 -2.937 5.061 -6.346 616 HG21 VAL 96 3HG2 VAL 96 -0.184 6.024 -5.660 617 HG22 VAL 96 1HG2 VAL 96 -1.202 4.660 -5.200 618 HG23 VAL 96 2HG2 VAL 96 0.415 4.376 -5.843 619 H SER 97 H SER 97 -0.548 5.113 -10.344 620 HA SER 97 HA SER 97 -2.933 3.856 -11.274 621 HB3 SER 97 2HB SER 97 -2.545 5.144 -13.343 622 HG SER 97 HG SER 97 -2.133 6.475 -10.881 623 H GLN 98 H GLN 98 0.503 3.461 -11.941 624 HA GLN 98 HA GLN 98 0.156 1.637 -14.103 625 HB3 GLN 98 2HB GLN 98 2.617 1.100 -13.556 626 HG3 GLN 98 2HG GLN 98 3.185 3.695 -14.034 627 HE21 GLN 98 1HE2 GLN 98 4.102 3.898 -16.017 628 HE22 GLN 98 2HE2 GLN 98 4.050 2.671 -17.232 629 H HIS 99 H HIS 99 0.366 1.328 -10.638 630 HA HIS 99 HA HIS 99 0.829 -1.497 -10.625 631 HB3 HIS 99 2HB HIS 99 -0.152 -1.050 -8.162 632 HD1 HIS 99 1HD HIS 99 1.691 -1.347 -6.434 633 HD2 HIS 99 2HD HIS 99 3.114 -0.291 -10.191 634 HE1 HIS 99 1HE HIS 99 4.183 -1.666 -6.322 635 H SER 100 H SER 100 -1.840 0.369 -11.368 636 HA SER 100 HA SER 100 -3.786 -1.588 -10.406 637 HB3 SER 100 2HB SER 100 -3.905 1.146 -10.578 638 HG SER 100 HG SER 100 -4.593 1.675 -12.479 639 H ILE 101 H ILE 101 -1.848 -1.207 -13.037 640 HA ILE 101 HA ILE 101 -3.722 -2.699 -14.750 641 HB ILE 101 HB ILE 101 -1.723 -0.639 -15.690 642 HG13 ILE 101 2HG1 ILE 101 -4.313 -0.285 -14.692 643 HG21 ILE 101 1HG2 ILE 101 -2.842 -1.041 -17.909 644 HG22 ILE 101 2HG2 ILE 101 -1.833 -2.359 -17.317 645 HG23 ILE 101 3HG2 ILE 101 -3.588 -2.467 -17.185 646 HD11 ILE 101 3HD1 ILE 101 -3.872 1.896 -14.902 647 HD12 ILE 101 1HD1 ILE 101 -2.260 1.345 -15.358 648 HD13 ILE 101 2HD1 ILE 101 -3.440 1.751 -16.606 649 H SER 102 H SER 102 -0.392 -2.094 -13.799 650 HA SER 102 HA SER 102 0.302 -4.781 -14.766 651 HB3 SER 102 2HB SER 102 2.602 -3.806 -15.322 652 HG SER 102 HG SER 102 1.939 -3.392 -17.354 653 HA PRO 103 HA PRO 103 1.412 -4.257 -10.306 654 HB3 PRO 103 2HB PRO 103 -0.528 -5.302 -9.655 655 HG3 PRO 103 2HG PRO 103 -1.658 -6.738 -11.092 656 HD3 PRO 103 2HD PRO 103 -1.377 -4.923 -12.485 657 H ILE 104 H ILE 104 3.408 -4.731 -9.639 658 HA ILE 104 HA ILE 104 4.808 -6.986 -10.910 659 HB ILE 104 HB ILE 104 5.974 -4.531 -9.591 660 HG13 ILE 104 2HG1 ILE 104 4.842 -4.173 -11.804 661 HG21 ILE 104 1HG2 ILE 104 7.895 -5.630 -9.475 662 HG22 ILE 104 2HG2 ILE 104 7.115 -7.076 -10.115 663 HG23 ILE 104 3HG2 ILE 104 7.844 -5.907 -11.216 664 HD11 ILE 104 3HD1 ILE 104 6.813 -3.177 -12.988 665 HD12 ILE 104 1HD1 ILE 104 6.563 -2.626 -11.332 666 HD13 ILE 104 2HD1 ILE 104 7.820 -3.813 -11.687 667 H SER 105 H SER 105 5.307 -5.183 -7.882 668 HA SER 105 HA SER 105 6.189 -7.493 -6.483 669 HB3 SER 105 2HB SER 105 6.733 -5.008 -6.015 670 HG SER 105 HG SER 105 5.335 -3.904 -4.802 671 H LEU 106 H LEU 106 3.099 -5.966 -6.928 672 HA LEU 106 HA LEU 106 1.846 -7.484 -4.795 673 HB3 LEU 106 2HB LEU 106 -0.028 -6.187 -5.114 674 HG LEU 106 HG LEU 106 2.165 -4.418 -6.190 675 HD11 LEU 106 1HD1 LEU 106 -0.674 -3.978 -6.028 676 HD12 LEU 106 2HD1 LEU 106 0.589 -2.937 -6.682 677 HD13 LEU 106 3HD1 LEU 106 0.193 -2.871 -4.964 678 HD21 LEU 106 3HD2 LEU 106 2.711 -3.949 -4.058 679 HD22 LEU 106 1HD2 LEU 106 1.968 -5.515 -3.727 680 HD23 LEU 106 2HD2 LEU 106 1.040 -4.033 -3.499 681 HA PRO 107 HA PRO 107 0.516 -10.913 -7.194 682 HB3 PRO 107 2HB PRO 107 -0.333 -11.793 -5.248 683 HG3 PRO 107 2HG PRO 107 -1.327 -10.430 -3.648 684 HD3 PRO 107 2HD PRO 107 0.637 -9.273 -3.989 685 H CYS 108 H CYS 108 -1.964 -8.416 -6.685 686 HA CYS 108 HA CYS 108 -2.723 -8.688 -9.502 687 HB3 CYS 108 2HB CYS 108 -5.040 -8.091 -7.877 688 HG CYS 108 HG CYS 108 -4.587 -10.891 -9.776 689 H CYS 109 H CYS 109 -3.848 -6.814 -10.355 690 HA CYS 109 HA CYS 109 -2.622 -4.409 -9.787 691 HB3 CYS 109 2HB CYS 109 -3.732 -4.661 -11.879 692 HG CYS 109 HG CYS 109 -5.701 -6.406 -11.915 693 H LEU 110 H LEU 110 -3.195 -2.555 -8.653 694 HA LEU 110 HA LEU 110 -4.760 -3.034 -6.274 695 HB3 LEU 110 2HB LEU 110 -2.535 -1.683 -6.580 696 HG LEU 110 HG LEU 110 -3.903 0.059 -8.059 697 HD11 LEU 110 1HD1 LEU 110 -5.494 1.019 -6.796 698 HD12 LEU 110 2HD1 LEU 110 -4.156 1.996 -6.194 699 HD13 LEU 110 3HD1 LEU 110 -4.702 0.590 -5.280 700 HD21 LEU 110 3HD2 LEU 110 -2.256 1.788 -6.774 701 HD22 LEU 110 1HD2 LEU 110 -1.732 0.634 -8.000 702 HD23 LEU 110 2HD2 LEU 110 -1.566 0.238 -6.290 703 H ARG 111 H ARG 111 -6.615 -1.938 -5.643 704 HA ARG 111 HA ARG 111 -8.281 -1.027 -7.830 705 HB3 ARG 111 2HB ARG 111 -9.466 -0.754 -5.200 706 HG3 ARG 111 2HG ARG 111 -10.768 -1.083 -7.247 707 HD3 ARG 111 2HD ARG 111 -8.927 -3.137 -7.736 708 HE ARG 111 HE ARG 111 -11.299 -4.304 -6.698 709 HH11 ARG 111 1HH1 ARG 111 -8.956 -4.602 -9.256 710 HH12 ARG 111 2HH1 ARG 111 -9.196 -6.307 -9.454 711 HH21 ARG 111 1HH2 ARG 111 -11.624 -6.548 -6.949 712 HH22 ARG 111 2HH2 ARG 111 -10.714 -7.412 -8.141 713 H ILE 112 H ILE 112 -8.658 1.026 -8.349 714 HA ILE 112 HA ILE 112 -7.844 3.115 -6.434 715 HB ILE 112 HB ILE 112 -7.959 3.364 -9.441 716 HG13 ILE 112 2HG1 ILE 112 -6.195 1.789 -8.668 717 HG21 ILE 112 1HG2 ILE 112 -6.272 5.276 -8.203 718 HG22 ILE 112 2HG2 ILE 112 -7.767 5.545 -9.097 719 HG23 ILE 112 3HG2 ILE 112 -7.817 5.283 -7.353 720 HD11 ILE 112 3HD1 ILE 112 -4.203 3.015 -9.583 721 HD12 ILE 112 1HD1 ILE 112 -5.607 2.928 -10.646 722 HD13 ILE 112 2HD1 ILE 112 -5.256 4.418 -9.768 723 HA PRO 113 HA PRO 113 -12.436 3.479 -7.035 724 HB3 PRO 113 2HB PRO 113 -12.856 2.256 -5.136 725 HG3 PRO 113 2HG PRO 113 -11.260 2.061 -3.457 726 HD3 PRO 113 2HD PRO 113 -9.976 1.510 -5.291 727 H SER 114 H SER 114 -11.744 5.487 -8.100 728 HA SER 114 HA SER 114 -12.136 7.800 -6.327 729 HB3 SER 114 2HB SER 114 -10.242 7.853 -8.679 730 HG SER 114 HG SER 114 -10.752 9.885 -8.047 731 H LYS 115 H LYS 115 -14.231 6.690 -7.620 732 HA LYS 115 HA LYS 115 -14.950 8.792 -9.497 733 HB3 LYS 115 2HB LYS 115 -15.776 6.109 -10.408 734 HG3 LYS 115 2HG LYS 115 -14.354 8.018 -12.162 735 HD3 LYS 115 2HD LYS 115 -15.564 5.805 -12.768 736 HE3 LYS 115 2HE LYS 115 -17.849 7.713 -12.356 737 HZ1 LYS 115 3HZ LYS 115 -17.535 5.704 -14.400 738 HZ2 LYS 115 1HZ LYS 115 -18.653 6.969 -14.288 739 HZ3 LYS 115 2HZ LYS 115 -18.936 5.517 -13.468 Start of MODEL 3 1 H1 MET 1 H MET 1 -19.479 6.940 1.948 2 HA MET 1 HA MET 1 -18.159 6.106 0.220 3 HB3 MET 1 2HB MET 1 -19.167 7.966 -0.815 4 HG3 MET 1 2HG MET 1 -17.268 9.650 0.776 5 HE1 MET 1 3HE MET 1 -19.831 11.539 0.259 6 HE2 MET 1 1HE MET 1 -19.135 12.878 -0.654 7 HE3 MET 1 2HE MET 1 -20.222 11.741 -1.451 8 H ASP 2 H ASP 2 -16.182 5.318 -0.167 9 HA ASP 2 HA ASP 2 -14.026 5.920 1.564 10 HB3 ASP 2 2HB ASP 2 -12.723 4.478 -0.128 11 H THR 3 H THR 3 -12.899 7.745 1.502 12 HA THR 3 HA THR 3 -12.252 8.908 -1.128 13 HB THR 3 HB THR 3 -11.767 10.800 0.941 14 HG1 THR 3 1HG THR 3 -14.297 9.501 1.072 15 HG21 THR 3 3HG2 THR 3 -13.685 10.554 -1.353 16 HG22 THR 3 1HG2 THR 3 -12.273 11.597 -1.198 17 HG23 THR 3 2HG2 THR 3 -13.734 11.946 -0.273 18 H SER 4 H SER 4 -10.185 10.196 -1.126 19 HA SER 4 HA SER 4 -8.034 8.518 -0.386 20 HB3 SER 4 2HB SER 4 -8.153 11.353 -1.416 21 HG SER 4 HG SER 4 -6.193 11.448 -0.599 22 H LYS 5 H LYS 5 -9.578 11.232 1.153 23 HA LYS 5 HA LYS 5 -7.528 11.877 2.992 24 HB3 LYS 5 2HB LYS 5 -9.208 13.134 4.177 25 HG3 LYS 5 2HG LYS 5 -10.231 13.333 1.382 26 HD3 LYS 5 2HD LYS 5 -9.953 15.761 1.897 27 HE3 LYS 5 2HE LYS 5 -11.883 13.936 2.928 28 HZ1 LYS 5 3HZ LYS 5 -11.042 16.046 4.785 29 HZ2 LYS 5 1HZ LYS 5 -11.609 14.488 5.115 30 HZ3 LYS 5 2HZ LYS 5 -12.692 15.698 4.645 31 H PHE 6 H PHE 6 -9.963 9.401 2.917 32 HA PHE 6 HA PHE 6 -9.611 8.723 5.718 33 HB3 PHE 6 2HB PHE 6 -11.039 6.677 4.395 34 HD1 PHE 6 1HD PHE 6 -10.973 6.597 6.996 35 HD2 PHE 6 2HD PHE 6 -13.236 9.408 4.738 36 HE1 PHE 6 1HE PHE 6 -12.433 6.977 8.939 37 HE2 PHE 6 2HE PHE 6 -14.699 9.793 6.678 38 HZ PHE 6 HZ PHE 6 -14.298 8.578 8.783 39 H TRP 7 H TRP 7 -8.485 7.692 2.595 40 HA TRP 7 HA TRP 7 -7.305 5.256 3.673 41 HB3 TRP 7 2HB TRP 7 -6.422 5.170 1.202 42 HD1 TRP 7 HD TRP 7 -9.697 5.293 -0.113 43 HE1 TRP 7 1HE TRP 7 -11.024 3.123 0.278 44 HE3 TRP 7 3HE TRP 7 -6.806 3.223 3.561 45 HZ2 TRP 7 2HZ TRP 7 -10.866 0.835 1.925 46 HZ3 TRP 7 3HZ TRP 7 -7.463 1.042 4.491 47 HH2 TRP 7 HH TRP 7 -9.451 -0.125 3.688 48 H TYR 8 H TYR 8 -6.488 8.469 3.495 49 HA TYR 8 HA TYR 8 -3.606 7.862 3.413 50 HB3 TYR 8 2HB TYR 8 -5.061 10.433 2.765 51 HD1 TYR 8 2HD TYR 8 -3.796 11.888 4.263 52 HD2 TYR 8 1HD TYR 8 -1.819 9.388 1.444 53 HE1 TYR 8 2HE TYR 8 -1.726 13.177 4.579 54 HE2 TYR 8 1HE TYR 8 0.256 10.671 1.754 55 HH TYR 8 HH TYR 8 0.350 13.660 3.346 56 H LYS 9 H LYS 9 -2.823 7.705 5.405 57 HA LYS 9 HA LYS 9 -3.426 9.840 7.317 58 HB3 LYS 9 2HB LYS 9 -3.462 8.023 9.128 59 HG3 LYS 9 2HG LYS 9 -5.874 7.282 8.418 60 HD3 LYS 9 2HD LYS 9 -5.243 10.193 8.901 61 HE3 LYS 9 2HE LYS 9 -7.407 9.718 10.368 62 HZ1 LYS 9 3HZ LYS 9 -8.086 10.055 7.567 63 HZ2 LYS 9 1HZ LYS 9 -6.944 11.146 8.173 64 HZ3 LYS 9 2HZ LYS 9 -8.467 11.026 8.899 65 HA PRO 10 HA PRO 10 1.052 9.540 7.316 66 HB3 PRO 10 2HB PRO 10 1.074 11.815 6.999 67 HG3 PRO 10 2HG PRO 10 -0.666 13.150 7.773 68 HD3 PRO 10 2HD PRO 10 -1.872 11.535 6.656 69 H HIS 11 H HIS 11 -0.968 10.220 10.145 70 HA HIS 11 HA HIS 11 1.073 9.416 12.009 71 HB3 HIS 11 2HB HIS 11 -1.014 9.504 13.601 72 HD1 HIS 11 1HD HIS 11 -1.947 12.563 13.409 73 HD2 HIS 11 2HD HIS 11 1.937 11.117 13.109 74 HE1 HIS 11 1HE HIS 11 -0.460 14.493 14.035 75 H LEU 12 H LEU 12 -1.456 7.882 10.244 76 HA LEU 12 HA LEU 12 -2.102 5.715 11.838 77 HB3 LEU 12 2HB LEU 12 -1.868 6.013 8.860 78 HG LEU 12 HG LEU 12 -2.250 3.505 10.264 79 HD11 LEU 12 1HD1 LEU 12 -4.275 2.780 9.465 80 HD12 LEU 12 2HD1 LEU 12 -4.326 3.986 8.180 81 HD13 LEU 12 3HD1 LEU 12 -4.648 4.462 9.847 82 HD21 LEU 12 3HD2 LEU 12 -0.758 3.490 8.486 83 HD22 LEU 12 1HD2 LEU 12 -1.824 4.442 7.452 84 HD23 LEU 12 2HD2 LEU 12 -2.203 2.754 7.794 85 H SER 13 H SER 13 -1.131 3.858 12.418 86 HA SER 13 HA SER 13 1.662 3.506 11.622 87 HB3 SER 13 2HB SER 13 1.923 3.040 13.798 88 HG SER 13 HG SER 13 0.252 4.008 14.679 89 H ARG 14 H ARG 14 2.391 1.153 11.466 90 HA ARG 14 HA ARG 14 1.253 -0.045 9.243 91 HB3 ARG 14 2HB ARG 14 3.498 -0.590 9.839 92 HG3 ARG 14 2HG ARG 14 2.510 -2.001 12.303 93 HD3 ARG 14 2HD ARG 14 5.290 -1.202 11.459 94 HE ARG 14 HE ARG 14 4.378 -2.073 13.930 95 HH11 ARG 14 1HH1 ARG 14 6.758 -3.011 11.569 96 HH12 ARG 14 2HH1 ARG 14 7.833 -3.707 12.737 97 HH21 ARG 14 1HH2 ARG 14 5.784 -2.986 15.477 98 HH22 ARG 14 2HH2 ARG 14 7.277 -3.693 14.959 99 H ASP 15 H ASP 15 0.846 -0.910 12.667 100 HA ASP 15 HA ASP 15 -0.825 -3.112 12.325 101 HB3 ASP 15 2HB ASP 15 -1.348 -1.297 14.626 102 H GLN 16 H GLN 16 -1.617 0.329 12.559 103 HA GLN 16 HA GLN 16 -4.414 0.047 12.595 104 HB3 GLN 16 2HB GLN 16 -4.252 2.445 11.539 105 HG3 GLN 16 2HG GLN 16 -3.505 3.415 13.711 106 HE21 GLN 16 1HE2 GLN 16 -4.700 0.869 15.396 107 HE22 GLN 16 2HE2 GLN 16 -6.389 1.216 15.293 108 H ALA 17 H ALA 17 -2.113 0.378 9.931 109 HA ALA 17 HA ALA 17 -4.005 0.600 7.856 110 HB1 ALA 17 1HB ALA 17 -2.120 1.038 6.773 111 HB2 ALA 17 2HB ALA 17 -1.158 0.370 8.091 112 HB3 ALA 17 3HB ALA 17 -1.743 -0.684 6.805 113 H ILE 18 H ILE 18 -2.425 -2.197 9.334 114 HA ILE 18 HA ILE 18 -3.423 -4.134 7.540 115 HB ILE 18 HB ILE 18 -2.611 -4.481 10.428 116 HG13 ILE 18 2HG1 ILE 18 -0.923 -3.524 8.733 117 HG21 ILE 18 1HG2 ILE 18 -3.350 -6.565 10.212 118 HG22 ILE 18 2HG2 ILE 18 -3.730 -6.310 8.510 119 HG23 ILE 18 3HG2 ILE 18 -2.110 -6.818 8.984 120 HD11 ILE 18 3HD1 ILE 18 0.487 -5.880 9.472 121 HD12 ILE 18 1HD1 ILE 18 0.608 -4.254 10.143 122 HD13 ILE 18 2HD1 ILE 18 -0.563 -5.395 10.803 123 H ALA 19 H ALA 19 -4.644 -2.875 10.613 124 HA ALA 19 HA ALA 19 -6.842 -4.647 10.822 125 HB1 ALA 19 1HB ALA 19 -7.713 -3.001 12.465 126 HB2 ALA 19 2HB ALA 19 -6.047 -3.493 12.773 127 HB3 ALA 19 3HB ALA 19 -6.382 -1.926 12.036 128 H LEU 20 H LEU 20 -6.401 -1.514 9.287 129 HA LEU 20 HA LEU 20 -9.166 -1.083 8.728 130 HB3 LEU 20 2HB LEU 20 -7.144 0.168 6.981 131 HG LEU 20 HG LEU 20 -9.470 1.036 7.089 132 HD11 LEU 20 1HD1 LEU 20 -10.481 1.523 9.005 133 HD12 LEU 20 2HD1 LEU 20 -9.126 2.512 9.544 134 HD13 LEU 20 3HD1 LEU 20 -9.118 0.773 9.834 135 HD21 LEU 20 3HD2 LEU 20 -7.129 2.762 7.816 136 HD22 LEU 20 1HD2 LEU 20 -8.729 3.454 7.543 137 HD23 LEU 20 2HD2 LEU 20 -7.921 2.564 6.253 138 H LEU 21 H LEU 21 -6.532 -2.687 7.088 139 HA LEU 21 HA LEU 21 -7.882 -2.909 4.567 140 HB3 LEU 21 2HB LEU 21 -6.061 -4.567 4.076 141 HG LEU 21 HG LEU 21 -5.373 -1.789 4.937 142 HD11 LEU 21 1HD1 LEU 21 -3.520 -3.637 5.384 143 HD12 LEU 21 2HD1 LEU 21 -3.125 -2.046 4.734 144 HD13 LEU 21 3HD1 LEU 21 -3.266 -3.429 3.651 145 HD21 LEU 21 3HD2 LEU 21 -6.451 -2.716 2.678 146 HD22 LEU 21 1HD2 LEU 21 -4.747 -2.919 2.274 147 HD23 LEU 21 2HD2 LEU 21 -5.364 -1.327 2.717 148 H LYS 22 H LYS 22 -7.380 -5.009 7.364 149 HA LYS 22 HA LYS 22 -8.675 -7.274 6.198 150 HB3 LYS 22 2HB LYS 22 -6.979 -7.299 8.095 151 HG3 LYS 22 2HG LYS 22 -9.413 -6.671 9.754 152 HD3 LYS 22 2HD LYS 22 -7.168 -6.612 11.355 153 HE3 LYS 22 2HE LYS 22 -8.094 -9.026 11.959 154 HZ1 LYS 22 3HZ LYS 22 -8.682 -6.463 12.766 155 HZ2 LYS 22 1HZ LYS 22 -9.064 -7.896 13.581 156 HZ3 LYS 22 2HZ LYS 22 -10.189 -7.195 12.530 157 H ASP 23 H ASP 23 -9.845 -4.364 7.307 158 HA ASP 23 HA ASP 23 -12.446 -5.525 8.048 159 HB3 ASP 23 2HB ASP 23 -11.766 -2.647 8.518 160 H LYS 24 H LYS 24 -10.912 -4.344 5.441 161 HA LYS 24 HA LYS 24 -13.371 -3.144 4.347 162 HB3 LYS 24 2HB LYS 24 -11.278 -2.267 2.734 163 HG3 LYS 24 2HG LYS 24 -13.334 -1.106 4.166 164 HD3 LYS 24 2HD LYS 24 -11.909 0.947 5.008 165 HE3 LYS 24 2HE LYS 24 -11.662 -0.624 7.236 166 HZ1 LYS 24 3HZ LYS 24 -12.976 1.187 7.538 167 HZ2 LYS 24 1HZ LYS 24 -14.190 0.014 7.437 168 HZ3 LYS 24 2HZ LYS 24 -13.827 0.973 6.092 169 H ASP 25 H ASP 25 -13.208 -3.192 1.810 170 HA ASP 25 HA ASP 25 -13.251 -5.927 1.060 171 HB3 ASP 25 2HB ASP 25 -13.476 -4.887 -1.301 172 HA PRO 26 HA PRO 26 -9.148 -6.693 -0.293 173 HB3 PRO 26 2HB PRO 26 -9.820 -8.844 -0.742 174 HG3 PRO 26 2HG PRO 26 -11.930 -9.284 -1.614 175 HD3 PRO 26 2HD PRO 26 -12.508 -7.916 0.149 176 H GLY 27 H GLY 27 -7.594 -6.135 -1.841 177 HA2 GLY 27 2HA GLY 27 -6.810 -5.250 -3.869 178 HA3 GLY 27 3HA GLY 27 -8.467 -4.882 -4.324 179 H ALA 28 H ALA 28 -8.605 -3.698 -1.433 180 HA ALA 28 HA ALA 28 -8.151 -0.997 -2.266 181 HB1 ALA 28 1HB ALA 28 -9.479 -2.349 -0.082 182 HB2 ALA 28 2HB ALA 28 -8.556 -0.955 0.481 183 HB3 ALA 28 3HB ALA 28 -9.780 -0.753 -0.771 184 H PHE 29 H PHE 29 -6.697 0.508 -1.375 185 HA PHE 29 HA PHE 29 -4.461 -0.598 0.170 186 HB3 PHE 29 2HB PHE 29 -3.862 -0.551 -2.251 187 HD1 PHE 29 1HD PHE 29 -5.912 0.675 -3.330 188 HD2 PHE 29 2HD PHE 29 -2.396 2.619 -1.925 189 HE1 PHE 29 1HE PHE 29 -6.401 2.601 -4.781 190 HE2 PHE 29 2HE PHE 29 -2.880 4.548 -3.374 191 HZ PHE 29 HZ PHE 29 -4.884 4.541 -4.803 192 H LEU 30 H LEU 30 -2.996 1.220 0.964 193 HA LEU 30 HA LEU 30 -4.325 3.774 1.332 194 HB3 LEU 30 2HB LEU 30 -5.144 2.200 3.126 195 HG LEU 30 HG LEU 30 -2.598 1.412 3.548 196 HD11 LEU 30 1HD1 LEU 30 -1.488 2.549 5.152 197 HD12 LEU 30 2HD1 LEU 30 -2.965 3.073 5.960 198 HD13 LEU 30 3HD1 LEU 30 -2.411 3.907 4.507 199 HD21 LEU 30 3HD2 LEU 30 -3.510 0.121 5.159 200 HD22 LEU 30 1HD2 LEU 30 -5.017 0.792 4.535 201 HD23 LEU 30 2HD2 LEU 30 -4.273 1.486 5.976 202 H ILE 31 H ILE 31 -2.930 5.363 2.414 203 HA ILE 31 HA ILE 31 -0.073 4.691 2.136 204 HB ILE 31 HB ILE 31 -1.391 7.324 1.463 205 HG13 ILE 31 2HG1 ILE 31 -1.701 5.380 -0.151 206 HG21 ILE 31 1HG2 ILE 31 0.901 7.885 0.593 207 HG22 ILE 31 2HG2 ILE 31 0.764 7.779 2.348 208 HG23 ILE 31 3HG2 ILE 31 1.489 6.454 1.438 209 HD11 ILE 31 3HD1 ILE 31 -0.102 7.168 -1.772 210 HD12 ILE 31 1HD1 ILE 31 -1.829 6.821 -1.832 211 HD13 ILE 31 2HD1 ILE 31 -1.210 8.031 -0.707 212 H ARG 32 H ARG 32 1.310 5.413 3.697 213 HA ARG 32 HA ARG 32 0.298 7.196 5.777 214 HB3 ARG 32 2HB ARG 32 -0.136 4.792 6.439 215 HG3 ARG 32 2HG ARG 32 2.504 4.315 7.453 216 HD3 ARG 32 2HD ARG 32 0.487 2.849 5.793 217 HE ARG 32 HE ARG 32 2.254 1.612 5.017 218 HH11 ARG 32 1HH1 ARG 32 2.736 2.326 8.391 219 HH12 ARG 32 2HH1 ARG 32 4.100 1.270 8.554 220 HH21 ARG 32 1HH2 ARG 32 4.049 0.219 5.220 221 HH22 ARG 32 2HH2 ARG 32 4.847 0.073 6.749 222 H ASP 33 H ASP 33 2.055 7.872 7.287 223 HA ASP 33 HA ASP 33 4.314 8.745 5.811 224 HB3 ASP 33 2HB ASP 33 4.219 8.780 8.811 225 H SER 34 H SER 34 6.084 7.642 5.342 226 HA SER 34 HA SER 34 6.656 5.130 6.626 227 HB3 SER 34 2HB SER 34 8.511 6.509 4.700 228 HG SER 34 HG SER 34 8.691 4.277 4.007 229 H HIS 35 H HIS 35 7.357 5.348 8.684 230 HA HIS 35 HA HIS 35 9.106 7.404 9.566 231 HB3 HIS 35 2HB HIS 35 8.998 4.872 11.105 232 HD1 HIS 35 1HD HIS 35 7.458 6.085 13.469 233 HD2 HIS 35 2HD HIS 35 10.436 8.074 11.364 234 HE1 HIS 35 1HE HIS 35 8.331 7.844 15.039 235 H SER 36 H SER 36 9.647 4.602 7.785 236 HA SER 36 HA SER 36 12.042 3.587 8.701 237 HB3 SER 36 2HB SER 36 10.930 2.479 6.897 238 HG SER 36 HG SER 36 10.643 3.464 4.894 239 H PHE 37 H PHE 37 11.948 5.739 5.873 240 HA PHE 37 HA PHE 37 14.157 7.293 7.001 241 HB3 PHE 37 2HB PHE 37 14.941 7.130 4.394 242 HD1 PHE 37 2HD PHE 37 15.248 4.065 6.413 243 HD2 PHE 37 1HD PHE 37 16.995 7.802 5.363 244 HE1 PHE 37 2HE PHE 37 17.340 3.395 7.520 245 HE2 PHE 37 1HE PHE 37 19.091 7.136 6.467 246 HZ PHE 37 HZ PHE 37 19.265 4.930 7.548 247 H GLN 38 H GLN 38 14.529 9.329 5.864 248 HA GLN 38 HA GLN 38 12.150 10.730 5.382 249 HB3 GLN 38 2HB GLN 38 14.314 11.735 6.132 250 HG3 GLN 38 2HG GLN 38 15.216 12.232 3.399 251 HE21 GLN 38 1HE2 GLN 38 16.239 10.554 6.358 252 HE22 GLN 38 2HE2 GLN 38 17.621 11.548 6.646 253 H GLY 39 H GLY 39 11.197 11.519 3.508 254 HA2 GLY 39 2HA GLY 39 10.636 11.602 1.276 255 HA3 GLY 39 3HA GLY 39 12.265 11.056 0.907 256 H ALA 40 H ALA 40 10.096 9.267 2.987 257 HA ALA 40 HA ALA 40 9.703 7.293 0.836 258 HB1 ALA 40 1HB ALA 40 11.447 6.454 2.278 259 HB2 ALA 40 2HB ALA 40 10.439 6.713 3.702 260 HB3 ALA 40 3HB ALA 40 9.983 5.499 2.508 261 H TYR 41 H TYR 41 7.760 6.169 0.847 262 HA TYR 41 HA TYR 41 5.763 7.052 2.821 263 HB3 TYR 41 2HB TYR 41 4.128 6.781 0.796 264 HD1 TYR 41 1HD TYR 41 6.857 9.131 -0.013 265 HD2 TYR 41 2HD TYR 41 3.102 8.617 1.920 266 HE1 TYR 41 1HE TYR 41 6.655 11.570 0.228 267 HE2 TYR 41 2HE TYR 41 2.889 11.055 2.166 268 HH TYR 41 HH TYR 41 4.619 13.232 0.480 269 H GLY 42 H GLY 42 4.562 5.480 3.719 270 HA2 GLY 42 2HA GLY 42 5.159 2.733 2.980 271 HA3 GLY 42 3HA GLY 42 4.249 3.263 4.387 272 H LEU 43 H LEU 43 4.019 1.721 1.476 273 HA LEU 43 HA LEU 43 1.194 2.457 1.111 274 HB3 LEU 43 2HB LEU 43 3.160 1.132 -0.748 275 HG LEU 43 HG LEU 43 0.642 0.437 -1.000 276 HD11 LEU 43 1HD1 LEU 43 0.713 3.221 -2.140 277 HD12 LEU 43 2HD1 LEU 43 -0.386 2.574 -0.922 278 HD13 LEU 43 3HD1 LEU 43 -0.493 2.015 -2.591 279 HD21 LEU 43 3HD2 LEU 43 1.132 0.942 -3.623 280 HD22 LEU 43 1HD2 LEU 43 1.814 -0.409 -2.717 281 HD23 LEU 43 2HD2 LEU 43 2.754 1.067 -2.939 282 H ALA 44 H ALA 44 -0.345 1.052 1.642 283 HA ALA 44 HA ALA 44 0.434 -1.752 2.117 284 HB1 ALA 44 1HB ALA 44 -1.985 -0.744 3.461 285 HB2 ALA 44 2HB ALA 44 -0.704 -1.798 4.061 286 HB3 ALA 44 3HB ALA 44 -0.458 -0.053 4.010 287 H LEU 45 H LEU 45 -0.797 -3.360 1.255 288 HA LEU 45 HA LEU 45 -3.244 -2.610 -0.183 289 HB3 LEU 45 2HB LEU 45 -0.839 -4.032 -1.264 290 HG LEU 45 HG LEU 45 -2.670 -5.514 -1.886 291 HD11 LEU 45 1HD1 LEU 45 -4.076 -3.013 -2.217 292 HD12 LEU 45 2HD1 LEU 45 -4.708 -4.653 -2.081 293 HD13 LEU 45 3HD1 LEU 45 -4.211 -4.027 -3.653 294 HD21 LEU 45 3HD2 LEU 45 -2.019 -3.851 -4.298 295 HD22 LEU 45 1HD2 LEU 45 -2.225 -5.598 -4.182 296 HD23 LEU 45 2HD2 LEU 45 -0.796 -4.833 -3.487 297 H LYS 46 H LYS 46 -4.861 -4.101 -0.130 298 HA LYS 46 HA LYS 46 -4.409 -6.434 1.584 299 HB3 LYS 46 2HB LYS 46 -7.131 -5.623 0.665 300 HG3 LYS 46 2HG LYS 46 -7.687 -6.112 3.042 301 HD3 LYS 46 2HD LYS 46 -6.309 -8.557 2.113 302 HE3 LYS 46 2HE LYS 46 -8.132 -8.423 3.858 303 HZ1 LYS 46 3HZ LYS 46 -9.736 -7.006 3.044 304 HZ2 LYS 46 1HZ LYS 46 -10.413 -8.516 2.693 305 HZ3 LYS 46 2HZ LYS 46 -9.659 -7.623 1.471 306 H VAL 47 H VAL 47 -4.608 -8.482 0.875 307 HA VAL 47 HA VAL 47 -5.051 -8.871 -1.988 308 HB VAL 47 HB VAL 47 -4.062 -11.052 -1.719 309 HG11 VAL 47 1HG1 VAL 47 -1.840 -10.441 -1.079 310 HG12 VAL 47 2HG1 VAL 47 -2.586 -9.043 -1.857 311 HG13 VAL 47 3HG1 VAL 47 -2.435 -9.100 -0.101 312 HG21 VAL 47 3HG2 VAL 47 -3.115 -11.461 0.730 313 HG22 VAL 47 1HG2 VAL 47 -4.544 -10.519 1.159 314 HG23 VAL 47 2HG2 VAL 47 -4.716 -12.014 0.240 315 H ALA 48 H ALA 48 -6.590 -10.247 -2.829 316 HA ALA 48 HA ALA 48 -8.972 -10.572 -1.282 317 HB1 ALA 48 1HB ALA 48 -9.486 -10.153 -3.474 318 HB2 ALA 48 2HB ALA 48 -8.169 -11.150 -4.090 319 HB3 ALA 48 3HB ALA 48 -9.623 -11.911 -3.445 320 H THR 49 H THR 49 -6.432 -12.723 -2.442 321 HA THR 49 HA THR 49 -7.396 -14.773 -0.586 322 HB THR 49 HB THR 49 -8.309 -15.704 -2.509 323 HG1 THR 49 1HG THR 49 -7.140 -17.520 -2.715 324 HG21 THR 49 3HG2 THR 49 -5.968 -14.477 -3.912 325 HG22 THR 49 1HG2 THR 49 -7.689 -14.330 -4.268 326 HG23 THR 49 2HG2 THR 49 -6.833 -15.822 -4.657 327 HA PRO 50 HA PRO 50 -3.143 -15.105 0.484 328 HB3 PRO 50 2HB PRO 50 -3.845 -16.272 2.334 329 HG3 PRO 50 2HG PRO 50 -5.667 -17.713 2.223 330 HD3 PRO 50 2HD PRO 50 -6.585 -15.836 1.249 331 HA PRO 51 HA PRO 51 -0.838 -17.175 -2.636 332 HB3 PRO 51 2HB PRO 51 1.070 -16.355 -1.651 333 HG3 PRO 51 2HG PRO 51 1.273 -16.243 0.662 334 HD3 PRO 51 2HD PRO 51 -0.780 -15.231 0.396 335 HA PRO 52 HA PRO 52 -1.522 -21.517 -2.743 336 HB3 PRO 52 2HB PRO 52 -0.675 -21.512 -4.879 337 HG3 PRO 52 2HG PRO 52 1.143 -20.178 -5.444 338 HD3 PRO 52 2HD PRO 52 -0.189 -18.612 -4.401 339 H SER 53 H SER 53 1.580 -20.434 -1.518 340 HA SER 53 HA SER 53 1.522 -22.243 0.660 341 HB3 SER 53 2HB SER 53 2.418 -24.053 -0.339 342 HG SER 53 HG SER 53 3.779 -23.303 -2.442 343 H ALA 54 H ALA 54 4.281 -21.082 -1.259 344 HA ALA 54 HA ALA 54 6.051 -19.756 -0.704 345 HB1 ALA 54 1HB ALA 54 4.286 -18.051 0.979 346 HB2 ALA 54 2HB ALA 54 5.499 -17.590 -0.216 347 HB3 ALA 54 3HB ALA 54 3.930 -18.199 -0.742 348 H GLN 55 H GLN 55 5.630 -22.001 1.010 349 HA GLN 55 HA GLN 55 6.368 -22.883 2.972 350 HB3 GLN 55 2HB GLN 55 8.085 -21.286 4.198 351 HG3 GLN 55 2HG GLN 55 8.522 -22.637 1.557 352 HE21 GLN 55 1HE2 GLN 55 10.433 -21.600 4.365 353 HE22 GLN 55 2HE2 GLN 55 11.784 -21.034 3.450 354 HA PRO 56 HA PRO 56 3.262 -20.338 5.310 355 HB3 PRO 56 2HB PRO 56 1.502 -21.471 4.361 356 HG3 PRO 56 2HG PRO 56 1.788 -23.596 3.460 357 HD3 PRO 56 2HD PRO 56 3.533 -22.492 2.436 358 H TRP 57 H TRP 57 3.035 -20.232 7.528 359 HA TRP 57 HA TRP 57 3.951 -22.413 9.200 360 HB3 TRP 57 2HB TRP 57 5.558 -20.898 10.424 361 HD1 TRP 57 HD TRP 57 7.255 -19.982 7.355 362 HE1 TRP 57 1HE TRP 57 8.813 -21.860 6.535 363 HE3 TRP 57 3HE TRP 57 5.480 -23.820 10.227 364 HZ2 TRP 57 2HZ TRP 57 9.233 -24.606 7.040 365 HZ3 TRP 57 3HZ TRP 57 6.514 -26.042 9.998 366 HH2 TRP 57 HH TRP 57 8.351 -26.424 8.436 367 H LYS 58 H LYS 58 2.646 -22.536 10.899 368 HA LYS 58 HA LYS 58 1.157 -21.998 12.532 369 HB3 LYS 58 2HB LYS 58 1.692 -19.110 12.547 370 HG3 LYS 58 2HG LYS 58 2.052 -21.281 14.603 371 HD3 LYS 58 2HD LYS 58 2.471 -18.311 14.695 372 HE3 LYS 58 2HE LYS 58 2.361 -19.821 17.236 373 HZ1 LYS 58 3HZ LYS 58 2.815 -17.305 16.744 374 HZ2 LYS 58 1HZ LYS 58 1.959 -17.777 18.125 375 HZ3 LYS 58 2HZ LYS 58 1.127 -17.204 16.769 376 H GLY 59 H GLY 59 0.310 -21.940 9.803 377 HA2 GLY 59 2HA GLY 59 -1.705 -21.507 8.754 378 HA3 GLY 59 3HA GLY 59 -2.177 -20.546 10.149 379 H ASP 60 H ASP 60 -3.101 -19.141 8.465 380 HA ASP 60 HA ASP 60 -1.225 -17.033 7.816 381 HB3 ASP 60 2HB ASP 60 -0.898 -17.972 5.753 382 HA PRO 61 HA PRO 61 -5.417 -15.598 9.143 383 HB3 PRO 61 2HB PRO 61 -4.709 -15.406 11.321 384 HG3 PRO 61 2HG PRO 61 -2.455 -15.157 11.832 385 HD3 PRO 61 2HD PRO 61 -2.343 -16.975 10.420 386 H VAL 62 H VAL 62 -5.987 -13.085 9.446 387 HA VAL 62 HA VAL 62 -5.854 -11.910 6.938 388 HB VAL 62 HB VAL 62 -6.542 -9.789 8.077 389 HG11 VAL 62 1HG1 VAL 62 -7.912 -12.393 8.304 390 HG12 VAL 62 2HG1 VAL 62 -8.576 -11.076 9.271 391 HG13 VAL 62 3HG1 VAL 62 -8.430 -10.900 7.522 392 HG21 VAL 62 3HG2 VAL 62 -5.360 -9.937 10.143 393 HG22 VAL 62 1HG2 VAL 62 -7.083 -9.994 10.518 394 HG23 VAL 62 2HG2 VAL 62 -6.125 -11.475 10.540 395 H GLU 63 H GLU 63 -3.560 -11.850 9.523 396 HA GLU 63 HA GLU 63 -2.160 -9.499 8.858 397 HB3 GLU 63 2HB GLU 63 -0.501 -11.676 9.898 398 HG3 GLU 63 2HG GLU 63 -1.377 -9.103 11.188 399 H GLN 64 H GLN 64 -2.192 -12.665 7.459 400 HA GLN 64 HA GLN 64 0.253 -12.213 5.953 401 HB3 GLN 64 2HB GLN 64 -0.416 -14.479 4.935 402 HG3 GLN 64 2HG GLN 64 0.119 -15.746 7.051 403 HE21 GLN 64 1HE2 GLN 64 2.324 -16.045 7.598 404 HE22 GLN 64 2HE2 GLN 64 3.573 -15.282 6.682 405 H LEU 65 H LEU 65 -3.042 -11.559 5.636 406 HA LEU 65 HA LEU 65 -3.014 -11.630 2.720 407 HB3 LEU 65 2HB LEU 65 -5.382 -10.947 2.922 408 HG LEU 65 HG LEU 65 -4.790 -13.311 4.705 409 HD11 LEU 65 1HD1 LEU 65 -7.260 -12.906 3.066 410 HD12 LEU 65 2HD1 LEU 65 -7.129 -12.210 4.681 411 HD13 LEU 65 3HD1 LEU 65 -7.000 -13.955 4.460 412 HD21 LEU 65 3HD2 LEU 65 -3.743 -13.498 2.491 413 HD22 LEU 65 1HD2 LEU 65 -5.309 -13.201 1.735 414 HD23 LEU 65 2HD2 LEU 65 -5.058 -14.655 2.701 415 H VAL 66 H VAL 66 -1.527 -9.680 4.582 416 HA VAL 66 HA VAL 66 -2.374 -7.247 3.156 417 HB VAL 66 HB VAL 66 -1.439 -7.372 6.027 418 HG11 VAL 66 1HG1 VAL 66 -0.611 -5.361 5.110 419 HG12 VAL 66 2HG1 VAL 66 -2.101 -5.067 4.211 420 HG13 VAL 66 3HG1 VAL 66 -2.088 -4.923 5.970 421 HG21 VAL 66 3HG2 VAL 66 -3.600 -7.893 6.373 422 HG22 VAL 66 1HG2 VAL 66 -3.876 -6.178 6.064 423 HG23 VAL 66 2HG2 VAL 66 -4.093 -7.355 4.768 424 H ARG 67 H ARG 67 -0.806 -6.487 1.911 425 HA ARG 67 HA ARG 67 1.984 -7.101 2.629 426 HB3 ARG 67 2HB ARG 67 1.224 -6.278 -0.137 427 HG3 ARG 67 2HG ARG 67 3.597 -6.816 0.652 428 HD3 ARG 67 2HD ARG 67 2.246 -9.406 0.985 429 HE ARG 67 HE ARG 67 4.136 -9.389 -0.999 430 HH11 ARG 67 1HH1 ARG 67 3.858 -10.816 2.165 431 HH12 ARG 67 2HH1 ARG 67 4.835 -12.192 1.773 432 HH21 ARG 67 1HH2 ARG 67 5.424 -11.196 -1.527 433 HH22 ARG 67 2HH2 ARG 67 5.726 -12.406 -0.327 434 H HIS 68 H HIS 68 3.063 -5.423 3.405 435 HA HIS 68 HA HIS 68 2.405 -2.734 2.395 436 HB3 HIS 68 2HB HIS 68 1.762 -2.753 4.673 437 HD1 HIS 68 1HD HIS 68 1.746 -5.223 5.611 438 HD2 HIS 68 2HD HIS 68 5.322 -3.164 6.093 439 HE1 HIS 68 1HE HIS 68 3.055 -6.537 7.310 440 H PHE 69 H PHE 69 3.977 -1.700 1.362 441 HA PHE 69 HA PHE 69 6.766 -2.457 1.908 442 HB3 PHE 69 2HB PHE 69 7.169 -2.062 -0.584 443 HD1 PHE 69 2HD PHE 69 7.824 -4.130 1.284 444 HD2 PHE 69 1HD PHE 69 4.891 -4.138 -1.801 445 HE1 PHE 69 2HE PHE 69 7.971 -6.583 1.156 446 HE2 PHE 69 1HE PHE 69 5.032 -6.592 -1.933 447 HZ PHE 69 HZ PHE 69 6.574 -7.817 -0.454 448 H LEU 70 H LEU 70 8.329 -0.817 1.519 449 HA LEU 70 HA LEU 70 7.213 1.878 1.769 450 HB3 LEU 70 2HB LEU 70 8.672 1.429 3.539 451 HG LEU 70 HG LEU 70 10.245 -0.127 1.647 452 HD11 LEU 70 1HD1 LEU 70 11.624 1.865 3.428 453 HD12 LEU 70 2HD1 LEU 70 11.843 1.613 1.696 454 HD13 LEU 70 3HD1 LEU 70 12.404 0.396 2.842 455 HD21 LEU 70 3HD2 LEU 70 9.096 -0.876 3.769 456 HD22 LEU 70 1HD2 LEU 70 10.375 -0.043 4.651 457 HD23 LEU 70 2HD2 LEU 70 10.774 -1.384 3.578 458 H ILE 71 H ILE 71 7.376 3.334 0.190 459 HA ILE 71 HA ILE 71 9.053 2.669 -2.131 460 HB ILE 71 HB ILE 71 6.846 4.715 -2.104 461 HG13 ILE 71 2HG1 ILE 71 6.675 1.774 -2.105 462 HG21 ILE 71 1HG2 ILE 71 6.862 4.398 -4.497 463 HG22 ILE 71 2HG2 ILE 71 8.492 4.769 -3.942 464 HG23 ILE 71 3HG2 ILE 71 8.058 3.110 -4.350 465 HD11 ILE 71 3HD1 ILE 71 5.037 2.226 -0.699 466 HD12 ILE 71 1HD1 ILE 71 5.257 3.953 -0.983 467 HD13 ILE 71 2HD1 ILE 71 4.145 3.028 -1.991 468 H GLU 72 H GLU 72 10.623 4.018 -2.825 469 HA GLU 72 HA GLU 72 11.050 6.477 -1.262 470 HB3 GLU 72 2HB GLU 72 13.264 5.252 -2.832 471 HG3 GLU 72 2HG GLU 72 14.311 5.750 -0.439 472 H THR 73 H THR 73 11.147 8.387 -2.279 473 HA THR 73 HA THR 73 11.124 8.367 -5.227 474 HB THR 73 HB THR 73 8.980 9.117 -4.525 475 HG1 THR 73 1HG THR 73 8.979 11.003 -5.592 476 HG21 THR 73 3HG2 THR 73 9.282 11.409 -3.019 477 HG22 THR 73 1HG2 THR 73 10.486 10.317 -2.338 478 HG23 THR 73 2HG2 THR 73 8.793 9.828 -2.409 479 H GLY 74 H GLY 74 12.829 9.286 -6.153 480 HA2 GLY 74 2HA GLY 74 14.159 11.514 -4.756 481 HA3 GLY 74 3HA GLY 74 15.107 10.173 -5.379 482 HA PRO 75 HA PRO 75 14.901 13.502 -8.618 483 HB3 PRO 75 2HB PRO 75 16.810 14.515 -7.839 484 HG3 PRO 75 2HG PRO 75 18.358 13.338 -6.562 485 HD3 PRO 75 2HD PRO 75 16.422 12.807 -5.428 486 H LYS 76 H LYS 76 15.786 10.251 -8.373 487 HA LYS 76 HA LYS 76 16.225 10.010 -11.270 488 HB3 LYS 76 2HB LYS 76 16.893 7.608 -10.577 489 HG3 LYS 76 2HG LYS 76 18.997 8.982 -9.298 490 HD3 LYS 76 2HD LYS 76 18.873 8.467 -12.248 491 HE3 LYS 76 2HE LYS 76 20.994 7.947 -10.166 492 HZ1 LYS 76 3HZ LYS 76 22.294 7.159 -11.809 493 HZ2 LYS 76 1HZ LYS 76 21.630 8.169 -12.993 494 HZ3 LYS 76 2HZ LYS 76 20.816 6.761 -12.529 495 H GLY 77 H GLY 77 13.754 9.927 -9.149 496 HA2 GLY 77 2HA GLY 77 11.580 9.348 -10.178 497 HA3 GLY 77 3HA GLY 77 12.332 7.846 -10.695 498 H VAL 78 H VAL 78 10.146 7.334 -9.476 499 HA VAL 78 HA VAL 78 10.777 6.867 -6.636 500 HB VAL 78 HB VAL 78 8.767 8.218 -6.962 501 HG11 VAL 78 1HG1 VAL 78 7.589 5.846 -8.400 502 HG12 VAL 78 2HG1 VAL 78 6.833 7.416 -8.119 503 HG13 VAL 78 3HG1 VAL 78 8.213 7.282 -9.211 504 HG21 VAL 78 3HG2 VAL 78 7.323 7.009 -5.519 505 HG22 VAL 78 1HG2 VAL 78 7.947 5.459 -6.082 506 HG23 VAL 78 2HG2 VAL 78 8.967 6.519 -5.108 507 H LYS 79 H LYS 79 11.085 4.844 -5.976 508 HA LYS 79 HA LYS 79 10.084 2.646 -7.664 509 HB3 LYS 79 2HB LYS 79 12.589 3.049 -7.791 510 HG3 LYS 79 2HG LYS 79 12.583 1.819 -5.044 511 HD3 LYS 79 2HD LYS 79 14.897 2.993 -6.559 512 HE3 LYS 79 2HE LYS 79 14.718 0.986 -4.312 513 HZ1 LYS 79 3HZ LYS 79 17.006 0.938 -4.291 514 HZ2 LYS 79 1HZ LYS 79 17.168 2.383 -5.158 515 HZ3 LYS 79 2HZ LYS 79 16.691 0.968 -5.953 516 H ILE 80 H ILE 80 9.208 0.895 -6.633 517 HA ILE 80 HA ILE 80 8.601 1.268 -3.803 518 HB ILE 80 HB ILE 80 7.496 -0.789 -5.719 519 HG13 ILE 80 2HG1 ILE 80 7.037 1.993 -5.630 520 HG21 ILE 80 1HG2 ILE 80 5.625 -0.542 -3.828 521 HG22 ILE 80 2HG2 ILE 80 6.945 -1.707 -3.724 522 HG23 ILE 80 3HG2 ILE 80 7.053 -0.172 -2.862 523 HD11 ILE 80 3HD1 ILE 80 6.534 1.227 -7.679 524 HD12 ILE 80 1HD1 ILE 80 5.926 -0.314 -7.074 525 HD13 ILE 80 2HD1 ILE 80 4.906 1.124 -7.009 526 H LYS 81 H LYS 81 9.753 0.276 -2.298 527 HA LYS 81 HA LYS 81 11.754 -1.630 -2.856 528 HB3 LYS 81 2HB LYS 81 10.491 -1.213 -0.152 529 HG3 LYS 81 2HG LYS 81 13.027 -1.253 0.430 530 HD3 LYS 81 2HD LYS 81 12.278 -3.979 -0.311 531 HE3 LYS 81 2HE LYS 81 12.917 -2.448 2.181 532 HZ1 LYS 81 3HZ LYS 81 11.914 -3.908 3.486 533 HZ2 LYS 81 1HZ LYS 81 12.633 -5.212 2.682 534 HZ3 LYS 81 2HZ LYS 81 11.160 -4.588 2.134 535 H GLY 82 H GLY 82 10.907 -3.405 -3.926 536 HA2 GLY 82 2HA GLY 82 9.677 -5.386 -2.207 537 HA3 GLY 82 3HA GLY 82 8.668 -4.856 -3.546 538 H CYS 83 H CYS 83 10.745 -4.508 -5.458 539 HA CYS 83 HA CYS 83 11.897 -7.187 -5.722 540 HB3 CYS 83 2HB CYS 83 11.164 -6.757 -8.289 541 HG CYS 83 HG CYS 83 8.598 -8.245 -7.649 542 HA PRO 84 HA PRO 84 15.463 -5.170 -7.284 543 HB3 PRO 84 2HB PRO 84 16.442 -7.241 -7.463 544 HG3 PRO 84 2HG PRO 84 15.218 -9.089 -8.166 545 HD3 PRO 84 2HD PRO 84 13.810 -8.280 -6.530 546 H SER 85 H SER 85 12.774 -5.711 -9.306 547 HA SER 85 HA SER 85 13.594 -4.882 -11.806 548 HB3 SER 85 2HB SER 85 11.342 -4.508 -12.303 549 HG SER 85 HG SER 85 10.968 -6.473 -11.655 550 H GLU 86 H GLU 86 12.021 -2.729 -9.433 551 HA GLU 86 HA GLU 86 12.133 -0.471 -9.139 552 HB3 GLU 86 2HB GLU 86 14.302 0.433 -8.816 553 HG3 GLU 86 2HG GLU 86 14.780 -2.502 -8.411 554 HA PRO 87 HA PRO 87 11.967 0.269 -13.747 555 HB3 PRO 87 2HB PRO 87 9.879 -0.670 -13.940 556 HG3 PRO 87 2HG PRO 87 8.468 -0.848 -12.100 557 HD3 PRO 87 2HD PRO 87 10.395 -1.749 -11.212 558 H TYR 88 H TYR 88 11.425 2.011 -10.858 559 HA TYR 88 HA TYR 88 11.412 4.224 -10.316 560 HB3 TYR 88 2HB TYR 88 13.065 5.570 -11.380 561 HD1 TYR 88 1HD TYR 88 13.619 3.984 -9.228 562 HD2 TYR 88 2HD TYR 88 14.779 3.248 -13.255 563 HE1 TYR 88 1HE TYR 88 15.474 2.579 -8.431 564 HE2 TYR 88 2HE TYR 88 16.637 1.840 -12.470 565 HH TYR 88 HH TYR 88 17.631 0.916 -10.711 566 H PHE 89 H PHE 89 9.168 4.513 -10.639 567 HA PHE 89 HA PHE 89 8.226 5.464 -13.209 568 HB3 PHE 89 2HB PHE 89 6.022 5.617 -12.045 569 HD1 PHE 89 2HD PHE 89 6.619 3.994 -14.123 570 HD2 PHE 89 1HD PHE 89 6.579 2.892 -10.012 571 HE1 PHE 89 2HE PHE 89 6.266 1.643 -14.760 572 HE2 PHE 89 1HE PHE 89 6.226 0.540 -10.643 573 HZ PHE 89 HZ PHE 89 6.069 -0.087 -13.020 574 H GLY 90 H GLY 90 6.442 7.384 -12.721 575 HA2 GLY 90 2HA GLY 90 8.060 9.701 -12.384 576 HA3 GLY 90 3HA GLY 90 6.317 9.678 -12.599 577 H SER 91 H SER 91 5.077 8.920 -10.606 578 HA SER 91 HA SER 91 6.395 9.681 -8.108 579 HB3 SER 91 2HB SER 91 3.822 10.838 -7.979 580 HG SER 91 HG SER 91 5.326 12.806 -8.174 581 H LEU 92 H LEU 92 4.638 9.443 -6.260 582 HA LEU 92 HA LEU 92 4.049 6.753 -6.003 583 HB3 LEU 92 2HB LEU 92 2.269 7.718 -4.303 584 HG LEU 92 HG LEU 92 5.214 8.210 -3.856 585 HD11 LEU 92 1HD1 LEU 92 3.685 7.549 -1.520 586 HD12 LEU 92 2HD1 LEU 92 3.006 8.972 -2.310 587 HD13 LEU 92 3HD1 LEU 92 4.703 8.955 -1.832 588 HD21 LEU 92 3HD2 LEU 92 3.554 5.792 -3.889 589 HD22 LEU 92 1HD2 LEU 92 4.554 5.982 -2.450 590 HD23 LEU 92 2HD2 LEU 92 5.301 5.976 -4.048 591 H SER 93 H SER 93 2.072 9.355 -7.299 592 HA SER 93 HA SER 93 -0.339 7.859 -7.468 593 HB3 SER 93 2HB SER 93 -0.559 9.793 -9.417 594 HG SER 93 HG SER 93 -0.870 10.562 -6.749 595 H ALA 94 H ALA 94 2.392 8.352 -9.613 596 HA ALA 94 HA ALA 94 1.225 7.251 -11.945 597 HB1 ALA 94 1HB ALA 94 3.381 8.660 -11.669 598 HB2 ALA 94 2HB ALA 94 4.162 7.102 -11.395 599 HB3 ALA 94 3HB ALA 94 3.322 7.412 -12.914 600 H LEU 95 H LEU 95 3.258 5.845 -9.394 601 HA LEU 95 HA LEU 95 3.294 3.238 -10.551 602 HB3 LEU 95 2HB LEU 95 5.080 3.856 -9.107 603 HG LEU 95 HG LEU 95 3.571 5.371 -7.585 604 HD11 LEU 95 1HD1 LEU 95 2.164 4.153 -6.341 605 HD12 LEU 95 2HD1 LEU 95 3.580 3.828 -5.342 606 HD13 LEU 95 3HD1 LEU 95 3.086 2.667 -6.574 607 HD21 LEU 95 3HD2 LEU 95 5.325 4.835 -5.692 608 HD22 LEU 95 1HD2 LEU 95 5.812 5.602 -7.204 609 HD23 LEU 95 2HD2 LEU 95 6.066 3.872 -6.972 610 H VAL 96 H VAL 96 1.209 4.917 -8.312 611 HA VAL 96 HA VAL 96 -0.137 2.628 -7.296 612 HB VAL 96 HB VAL 96 -0.692 5.564 -7.286 613 HG11 VAL 96 1HG1 VAL 96 -2.880 4.830 -7.690 614 HG12 VAL 96 2HG1 VAL 96 -2.675 3.389 -6.692 615 HG13 VAL 96 3HG1 VAL 96 -2.783 4.980 -5.936 616 HG21 VAL 96 3HG2 VAL 96 -1.030 4.288 -4.777 617 HG22 VAL 96 1HG2 VAL 96 0.433 3.642 -5.521 618 HG23 VAL 96 2HG2 VAL 96 0.257 5.381 -5.287 619 H SER 97 H SER 97 -0.799 4.879 -9.946 620 HA SER 97 HA SER 97 -3.305 3.710 -10.641 621 HB3 SER 97 2HB SER 97 -3.155 5.098 -12.664 622 HG SER 97 HG SER 97 -3.619 6.063 -10.555 623 H GLN 98 H GLN 98 0.012 3.317 -11.779 624 HA GLN 98 HA GLN 98 -0.648 1.585 -13.942 625 HB3 GLN 98 2HB GLN 98 1.973 1.010 -13.281 626 HG3 GLN 98 2HG GLN 98 2.635 2.510 -15.019 627 HE21 GLN 98 1HE2 GLN 98 -0.465 2.829 -16.225 628 HE22 GLN 98 2HE2 GLN 98 -0.544 1.366 -17.139 629 H HIS 99 H HIS 99 0.005 1.131 -10.551 630 HA HIS 99 HA HIS 99 0.641 -1.589 -10.527 631 HB3 HIS 99 2HB HIS 99 -0.662 -1.343 -8.183 632 HD1 HIS 99 1HD HIS 99 1.024 -0.474 -6.157 633 HD2 HIS 99 2HD HIS 99 2.648 -1.048 -9.937 634 HE1 HIS 99 1HE HIS 99 3.504 -0.688 -5.798 635 H SER 100 H SER 100 -2.321 -0.004 -11.195 636 HA SER 100 HA SER 100 -3.963 -2.325 -10.609 637 HB3 SER 100 2HB SER 100 -4.512 0.338 -10.575 638 HG SER 100 HG SER 100 -5.224 0.996 -12.431 639 H ILE 101 H ILE 101 -1.845 -1.750 -12.941 640 HA ILE 101 HA ILE 101 -3.426 -3.204 -14.951 641 HB ILE 101 HB ILE 101 -1.459 -0.991 -15.550 642 HG13 ILE 101 2HG1 ILE 101 -3.736 -0.316 -14.663 643 HG21 ILE 101 1HG2 ILE 101 -2.237 -1.321 -17.895 644 HG22 ILE 101 2HG2 ILE 101 -1.313 -2.674 -17.243 645 HG23 ILE 101 3HG2 ILE 101 -3.069 -2.781 -17.360 646 HD11 ILE 101 3HD1 ILE 101 -2.461 1.212 -16.094 647 HD12 ILE 101 1HD1 ILE 101 -3.211 0.485 -17.516 648 HD13 ILE 101 2HD1 ILE 101 -4.202 1.353 -16.341 649 H SER 102 H SER 102 -0.235 -2.419 -13.667 650 HA SER 102 HA SER 102 0.676 -5.092 -14.400 651 HB3 SER 102 2HB SER 102 2.897 -3.998 -15.155 652 HG SER 102 HG SER 102 0.917 -3.375 -17.005 653 HA PRO 103 HA PRO 103 1.882 -3.882 -10.117 654 HB3 PRO 103 2HB PRO 103 0.108 -5.065 -9.261 655 HG3 PRO 103 2HG PRO 103 -0.869 -6.799 -10.463 656 HD3 PRO 103 2HD PRO 103 -0.857 -5.155 -12.078 657 H ILE 104 H ILE 104 3.925 -4.052 -9.429 658 HA ILE 104 HA ILE 104 5.669 -6.023 -10.685 659 HB ILE 104 HB ILE 104 6.346 -3.678 -8.905 660 HG13 ILE 104 2HG1 ILE 104 7.093 -2.583 -10.941 661 HG21 ILE 104 1HG2 ILE 104 8.120 -5.152 -8.620 662 HG22 ILE 104 2HG2 ILE 104 8.031 -5.734 -10.281 663 HG23 ILE 104 3HG2 ILE 104 8.664 -4.123 -9.945 664 HD11 ILE 104 3HD1 ILE 104 6.733 -3.478 -13.139 665 HD12 ILE 104 1HD1 ILE 104 7.766 -4.574 -12.222 666 HD13 ILE 104 2HD1 ILE 104 6.062 -4.962 -12.463 667 H SER 105 H SER 105 5.658 -4.681 -7.388 668 HA SER 105 HA SER 105 6.372 -7.322 -6.364 669 HB3 SER 105 2HB SER 105 7.622 -5.165 -5.747 670 HG SER 105 HG SER 105 5.789 -3.899 -5.258 671 H LEU 106 H LEU 106 3.704 -6.947 -7.274 672 HA LEU 106 HA LEU 106 2.262 -7.312 -4.734 673 HB3 LEU 106 2HB LEU 106 0.466 -6.041 -5.403 674 HG LEU 106 HG LEU 106 2.715 -4.632 -6.843 675 HD11 LEU 106 1HD1 LEU 106 1.144 -3.233 -7.555 676 HD12 LEU 106 2HD1 LEU 106 0.883 -2.782 -5.871 677 HD13 LEU 106 3HD1 LEU 106 -0.103 -4.045 -6.607 678 HD21 LEU 106 3HD2 LEU 106 3.442 -3.894 -4.866 679 HD22 LEU 106 1HD2 LEU 106 2.499 -5.210 -4.164 680 HD23 LEU 106 2HD2 LEU 106 1.805 -3.591 -4.278 681 HA PRO 107 HA PRO 107 0.840 -11.134 -6.359 682 HB3 PRO 107 2HB PRO 107 -0.104 -11.522 -4.300 683 HG3 PRO 107 2HG PRO 107 -1.077 -9.796 -3.083 684 HD3 PRO 107 2HD PRO 107 0.949 -8.825 -3.597 685 H CYS 108 H CYS 108 -1.556 -8.507 -6.498 686 HA CYS 108 HA CYS 108 -2.149 -9.231 -9.257 687 HB3 CYS 108 2HB CYS 108 -4.652 -8.641 -8.027 688 HG CYS 108 HG CYS 108 -3.505 -11.578 -9.359 689 H CYS 109 H CYS 109 -3.575 -7.567 -10.300 690 HA CYS 109 HA CYS 109 -2.486 -5.020 -10.015 691 HB3 CYS 109 2HB CYS 109 -4.201 -4.267 -11.556 692 HG CYS 109 HG CYS 109 -4.297 -6.383 -13.610 693 H LEU 110 H LEU 110 -2.930 -3.307 -8.770 694 HA LEU 110 HA LEU 110 -4.484 -3.531 -6.461 695 HB3 LEU 110 2HB LEU 110 -3.564 -1.042 -7.893 696 HG LEU 110 HG LEU 110 -5.196 -0.431 -6.172 697 HD11 LEU 110 1HD1 LEU 110 -4.926 -0.988 -3.885 698 HD12 LEU 110 2HD1 LEU 110 -3.348 -1.718 -4.178 699 HD13 LEU 110 3HD1 LEU 110 -4.806 -2.496 -4.791 700 HD21 LEU 110 3HD2 LEU 110 -2.945 0.474 -4.676 701 HD22 LEU 110 1HD2 LEU 110 -3.934 1.361 -5.837 702 HD23 LEU 110 2HD2 LEU 110 -2.522 0.459 -6.389 703 H ARG 111 H ARG 111 -6.447 -2.532 -5.844 704 HA ARG 111 HA ARG 111 -8.289 -2.107 -8.096 705 HB3 ARG 111 2HB ARG 111 -10.037 -2.508 -6.221 706 HG3 ARG 111 2HG ARG 111 -9.438 -4.145 -8.044 707 HD3 ARG 111 2HD ARG 111 -7.310 -4.693 -6.181 708 HE ARG 111 HE ARG 111 -9.244 -6.734 -6.212 709 HH11 ARG 111 1HH1 ARG 111 -5.821 -6.261 -6.636 710 HH12 ARG 111 2HH1 ARG 111 -5.401 -7.852 -6.097 711 HH21 ARG 111 1HH2 ARG 111 -8.704 -8.834 -5.499 712 HH22 ARG 111 2HH2 ARG 111 -7.042 -9.315 -5.450 713 H ILE 112 H ILE 112 -8.638 -0.031 -8.511 714 HA ILE 112 HA ILE 112 -8.824 1.841 -6.242 715 HB ILE 112 HB ILE 112 -8.141 2.575 -9.087 716 HG13 ILE 112 2HG1 ILE 112 -6.399 1.116 -8.125 717 HG21 ILE 112 1HG2 ILE 112 -7.164 4.419 -7.178 718 HG22 ILE 112 2HG2 ILE 112 -8.422 4.661 -8.389 719 HG23 ILE 112 3HG2 ILE 112 -8.849 4.083 -6.779 720 HD11 ILE 112 3HD1 ILE 112 -4.480 2.527 -8.369 721 HD12 ILE 112 1HD1 ILE 112 -5.685 2.985 -9.571 722 HD13 ILE 112 2HD1 ILE 112 -5.459 3.972 -8.126 723 HA PRO 113 HA PRO 113 -13.020 1.588 -8.217 724 HB3 PRO 113 2HB PRO 113 -13.734 0.040 -6.677 725 HG3 PRO 113 2HG PRO 113 -12.691 -0.161 -4.607 726 HD3 PRO 113 2HD PRO 113 -10.847 -0.223 -5.989 727 H SER 114 H SER 114 -11.439 3.615 -5.918 728 HA SER 114 HA SER 114 -13.439 5.543 -5.485 729 HB3 SER 114 2HB SER 114 -10.480 6.133 -5.582 730 HG SER 114 HG SER 114 -11.705 7.922 -5.111 731 H LYS 115 H LYS 115 -11.494 4.853 -8.223 732 HA LYS 115 HA LYS 115 -12.405 7.346 -9.504 733 HB3 LYS 115 2HB LYS 115 -10.355 6.873 -11.049 734 HG3 LYS 115 2HG LYS 115 -9.046 7.685 -8.651 735 HD3 LYS 115 2HD LYS 115 -9.930 8.899 -11.222 736 HE3 LYS 115 2HE LYS 115 -9.444 10.370 -8.713 737 HZ1 LYS 115 3HZ LYS 115 -8.442 12.230 -10.010 738 HZ2 LYS 115 1HZ LYS 115 -8.138 11.134 -11.263 739 HZ3 LYS 115 2HZ LYS 115 -7.404 10.918 -9.754 Start of MODEL 4 1 H1 MET 1 H MET 1 -17.444 8.910 -1.916 2 HA MET 1 HA MET 1 -18.032 7.954 0.212 3 HB3 MET 1 2HB MET 1 -17.901 5.300 0.133 4 HG3 MET 1 2HG MET 1 -20.318 6.815 -0.825 5 HE1 MET 1 3HE MET 1 -20.028 4.783 2.076 6 HE2 MET 1 1HE MET 1 -21.484 3.797 1.935 7 HE3 MET 1 2HE MET 1 -19.913 3.112 1.521 8 H ASP 2 H ASP 2 -15.729 6.718 -2.135 9 HA ASP 2 HA ASP 2 -13.748 6.372 0.011 10 HB3 ASP 2 2HB ASP 2 -12.545 5.346 -2.211 11 H THR 3 H THR 3 -12.577 8.147 0.320 12 HA THR 3 HA THR 3 -11.673 9.655 -2.048 13 HB THR 3 HB THR 3 -11.368 11.271 0.256 14 HG1 THR 3 1HG THR 3 -13.844 9.894 0.115 15 HG21 THR 3 3HG2 THR 3 -13.463 11.440 -1.911 16 HG22 THR 3 1HG2 THR 3 -11.796 11.985 -2.088 17 HG23 THR 3 2HG2 THR 3 -12.860 12.764 -0.916 18 H SER 4 H SER 4 -9.540 10.412 -2.087 19 HA SER 4 HA SER 4 -7.602 8.701 -1.005 20 HB3 SER 4 2HB SER 4 -7.606 11.207 -2.565 21 HG SER 4 HG SER 4 -5.190 11.185 -2.184 22 H LYS 5 H LYS 5 -8.989 11.676 0.176 23 HA LYS 5 HA LYS 5 -7.033 12.278 2.128 24 HB3 LYS 5 2HB LYS 5 -8.755 13.722 3.121 25 HG3 LYS 5 2HG LYS 5 -7.849 13.921 0.458 26 HD3 LYS 5 2HD LYS 5 -10.769 14.214 0.750 27 HE3 LYS 5 2HE LYS 5 -10.796 16.037 -0.958 28 HZ1 LYS 5 3HZ LYS 5 -10.800 17.707 0.601 29 HZ2 LYS 5 1HZ LYS 5 -9.465 17.097 1.441 30 HZ3 LYS 5 2HZ LYS 5 -10.974 16.347 1.591 31 H PHE 6 H PHE 6 -9.665 10.027 2.029 32 HA PHE 6 HA PHE 6 -9.607 9.576 4.901 33 HB3 PHE 6 2HB PHE 6 -11.120 7.710 3.181 34 HD1 PHE 6 2HD PHE 6 -12.223 10.588 5.240 35 HD2 PHE 6 1HD PHE 6 -11.776 6.364 4.970 36 HE1 PHE 6 2HE PHE 6 -13.517 10.322 7.315 37 HE2 PHE 6 1HE PHE 6 -13.071 6.090 7.044 38 HZ PHE 6 HZ PHE 6 -13.942 8.071 8.220 39 H TRP 7 H TRP 7 -8.309 8.227 1.991 40 HA TRP 7 HA TRP 7 -7.490 5.773 3.349 41 HB3 TRP 7 2HB TRP 7 -6.464 5.401 0.940 42 HD1 TRP 7 HD TRP 7 -9.730 5.639 -0.459 43 HE1 TRP 7 1HE TRP 7 -11.171 3.564 0.031 44 HE3 TRP 7 3HE TRP 7 -6.973 3.618 3.342 45 HZ2 TRP 7 2HZ TRP 7 -11.143 1.361 1.796 46 HZ3 TRP 7 3HZ TRP 7 -7.749 1.525 4.378 47 HH2 TRP 7 HH TRP 7 -9.791 0.421 3.620 48 H TYR 8 H TYR 8 -6.352 8.851 3.007 49 HA TYR 8 HA TYR 8 -3.540 7.977 3.111 50 HB3 TYR 8 2HB TYR 8 -4.740 10.596 2.198 51 HD1 TYR 8 2HD TYR 8 -3.517 12.048 3.755 52 HD2 TYR 8 1HD TYR 8 -1.472 9.321 1.209 53 HE1 TYR 8 2HE TYR 8 -1.411 13.245 4.176 54 HE2 TYR 8 1HE TYR 8 0.641 10.509 1.624 55 HH TYR 8 HH TYR 8 1.098 13.222 2.436 56 H LYS 9 H LYS 9 -2.891 7.862 5.156 57 HA LYS 9 HA LYS 9 -3.347 10.171 6.896 58 HB3 LYS 9 2HB LYS 9 -3.718 8.527 8.812 59 HG3 LYS 9 2HG LYS 9 -6.126 8.003 8.103 60 HD3 LYS 9 2HD LYS 9 -5.116 10.847 8.063 61 HE3 LYS 9 2HE LYS 9 -7.595 10.154 7.371 62 HZ1 LYS 9 3HZ LYS 9 -7.549 9.278 9.953 63 HZ2 LYS 9 1HZ LYS 9 -8.935 9.596 9.035 64 HZ3 LYS 9 2HZ LYS 9 -8.312 10.785 10.065 65 HA PRO 10 HA PRO 10 1.058 9.359 7.191 66 HB3 PRO 10 2HB PRO 10 1.367 11.591 6.738 67 HG3 PRO 10 2HG PRO 10 -0.241 13.166 7.322 68 HD3 PRO 10 2HD PRO 10 -1.569 11.628 6.232 69 H HIS 11 H HIS 11 -1.031 10.435 9.838 70 HA HIS 11 HA HIS 11 0.780 9.641 11.903 71 HB3 HIS 11 2HB HIS 11 -1.488 9.816 13.261 72 HD1 HIS 11 1HD HIS 11 0.158 11.083 14.753 73 HD2 HIS 11 2HD HIS 11 -0.821 13.111 11.261 74 HE1 HIS 11 1HE HIS 11 1.045 13.416 15.059 75 H LEU 12 H LEU 12 -1.113 7.896 9.800 76 HA LEU 12 HA LEU 12 -2.023 5.832 11.560 77 HB3 LEU 12 2HB LEU 12 -1.626 5.158 8.727 78 HG LEU 12 HG LEU 12 -3.137 3.806 10.106 79 HD11 LEU 12 1HD1 LEU 12 -3.981 6.269 11.095 80 HD12 LEU 12 2HD1 LEU 12 -4.652 4.682 11.472 81 HD13 LEU 12 3HD1 LEU 12 -5.352 5.650 10.174 82 HD21 LEU 12 3HD2 LEU 12 -5.019 5.120 8.249 83 HD22 LEU 12 1HD2 LEU 12 -4.558 3.424 8.392 84 HD23 LEU 12 2HD2 LEU 12 -3.499 4.557 7.553 85 H SER 13 H SER 13 -1.064 3.956 12.131 86 HA SER 13 HA SER 13 1.749 3.637 11.402 87 HB3 SER 13 2HB SER 13 0.076 2.397 13.596 88 HG SER 13 HG SER 13 1.861 1.290 14.200 89 H ARG 14 H ARG 14 2.529 1.336 11.168 90 HA ARG 14 HA ARG 14 1.391 0.142 8.935 91 HB3 ARG 14 2HB ARG 14 3.226 -0.998 11.043 92 HG3 ARG 14 2HG ARG 14 3.700 -2.359 8.679 93 HD3 ARG 14 2HD ARG 14 2.908 -4.319 9.923 94 HE ARG 14 HE ARG 14 4.954 -2.736 10.789 95 HH11 ARG 14 1HH1 ARG 14 2.646 -4.834 12.333 96 HH12 ARG 14 2HH1 ARG 14 3.706 -5.258 13.635 97 HH21 ARG 14 1HH2 ARG 14 6.360 -3.288 12.499 98 HH22 ARG 14 2HH2 ARG 14 5.819 -4.377 13.729 99 H ASP 15 H ASP 15 1.122 -0.823 12.347 100 HA ASP 15 HA ASP 15 -0.470 -3.080 11.995 101 HB3 ASP 15 2HB ASP 15 -1.034 -1.385 14.364 102 H GLN 16 H GLN 16 -1.391 0.318 12.349 103 HA GLN 16 HA GLN 16 -4.173 -0.077 12.459 104 HB3 GLN 16 2HB GLN 16 -4.181 2.345 11.521 105 HG3 GLN 16 2HG GLN 16 -3.031 1.473 14.125 106 HE21 GLN 16 1HE2 GLN 16 -1.557 2.678 15.058 107 HE22 GLN 16 2HE2 GLN 16 -1.399 4.393 14.923 108 H ALA 17 H ALA 17 -1.970 0.419 9.740 109 HA ALA 17 HA ALA 17 -3.933 0.618 7.728 110 HB1 ALA 17 1HB ALA 17 -2.131 0.193 6.161 111 HB2 ALA 17 2HB ALA 17 -1.595 1.308 7.419 112 HB3 ALA 17 3HB ALA 17 -1.100 -0.384 7.470 113 H ILE 18 H ILE 18 -2.198 -2.149 9.082 114 HA ILE 18 HA ILE 18 -3.172 -4.077 7.263 115 HB ILE 18 HB ILE 18 -2.259 -4.468 10.116 116 HG13 ILE 18 2HG1 ILE 18 -0.665 -3.398 8.396 117 HG21 ILE 18 1HG2 ILE 18 -3.446 -6.407 9.515 118 HG22 ILE 18 2HG2 ILE 18 -2.794 -6.398 7.878 119 HG23 ILE 18 3HG2 ILE 18 -1.749 -6.800 9.240 120 HD11 ILE 18 3HD1 ILE 18 0.411 -4.192 10.291 121 HD12 ILE 18 1HD1 ILE 18 0.004 -5.871 9.938 122 HD13 ILE 18 2HD1 ILE 18 1.216 -5.034 8.968 123 H ALA 19 H ALA 19 -4.347 -2.952 10.406 124 HA ALA 19 HA ALA 19 -6.466 -4.817 10.630 125 HB1 ALA 19 1HB ALA 19 -6.927 -2.244 11.929 126 HB2 ALA 19 2HB ALA 19 -6.813 -3.863 12.621 127 HB3 ALA 19 3HB ALA 19 -5.347 -2.944 12.283 128 H LEU 20 H LEU 20 -6.202 -1.623 9.178 129 HA LEU 20 HA LEU 20 -8.996 -1.297 8.709 130 HB3 LEU 20 2HB LEU 20 -7.365 0.163 6.846 131 HG LEU 20 HG LEU 20 -9.517 1.005 7.762 132 HD11 LEU 20 1HD1 LEU 20 -7.884 1.128 10.272 133 HD12 LEU 20 2HD1 LEU 20 -9.495 0.456 10.027 134 HD13 LEU 20 3HD1 LEU 20 -9.258 2.203 10.014 135 HD21 LEU 20 3HD2 LEU 20 -7.091 2.747 8.178 136 HD22 LEU 20 1HD2 LEU 20 -8.750 3.329 8.046 137 HD23 LEU 20 2HD2 LEU 20 -7.984 2.528 6.673 138 H LEU 21 H LEU 21 -6.348 -2.741 6.950 139 HA LEU 21 HA LEU 21 -7.756 -2.942 4.460 140 HB3 LEU 21 2HB LEU 21 -5.867 -4.647 4.004 141 HG LEU 21 HG LEU 21 -5.034 -1.818 4.649 142 HD11 LEU 21 1HD1 LEU 21 -3.441 -2.536 2.648 143 HD12 LEU 21 2HD1 LEU 21 -3.679 -4.124 3.376 144 HD13 LEU 21 3HD1 LEU 21 -3.014 -2.805 4.338 145 HD21 LEU 21 3HD2 LEU 21 -6.827 -2.807 2.697 146 HD22 LEU 21 1HD2 LEU 21 -5.340 -2.342 1.869 147 HD23 LEU 21 2HD2 LEU 21 -6.193 -1.170 2.874 148 H LYS 22 H LYS 22 -7.090 -5.112 7.171 149 HA LYS 22 HA LYS 22 -8.331 -7.388 5.975 150 HB3 LYS 22 2HB LYS 22 -6.592 -7.401 7.831 151 HG3 LYS 22 2HG LYS 22 -9.010 -6.888 9.552 152 HD3 LYS 22 2HD LYS 22 -6.160 -7.338 10.414 153 HE3 LYS 22 2HE LYS 22 -8.775 -7.423 11.916 154 HZ1 LYS 22 3HZ LYS 22 -6.038 -7.422 13.044 155 HZ2 LYS 22 1HZ LYS 22 -6.888 -8.852 12.737 156 HZ3 LYS 22 2HZ LYS 22 -7.497 -7.727 13.843 157 H ASP 23 H ASP 23 -9.549 -4.566 7.344 158 HA ASP 23 HA ASP 23 -12.120 -5.854 7.979 159 HB3 ASP 23 2HB ASP 23 -11.602 -3.024 8.745 160 H LYS 24 H LYS 24 -10.681 -4.488 5.458 161 HA LYS 24 HA LYS 24 -13.133 -3.117 4.560 162 HB3 LYS 24 2HB LYS 24 -11.464 -1.939 2.946 163 HG3 LYS 24 2HG LYS 24 -10.670 -0.533 5.151 164 HD3 LYS 24 2HD LYS 24 -13.460 -0.277 4.087 165 HE3 LYS 24 2HE LYS 24 -12.090 2.133 3.944 166 HZ1 LYS 24 3HZ LYS 24 -13.792 1.164 6.177 167 HZ2 LYS 24 1HZ LYS 24 -14.375 1.781 4.712 168 HZ3 LYS 24 2HZ LYS 24 -13.503 2.779 5.763 169 H ASP 25 H ASP 25 -13.353 -3.112 2.132 170 HA ASP 25 HA ASP 25 -13.477 -5.727 1.164 171 HB3 ASP 25 2HB ASP 25 -14.945 -4.208 0.150 172 HA PRO 26 HA PRO 26 -9.507 -6.654 -0.453 173 HB3 PRO 26 2HB PRO 26 -10.347 -8.710 -1.043 174 HG3 PRO 26 2HG PRO 26 -12.517 -8.932 -1.849 175 HD3 PRO 26 2HD PRO 26 -12.923 -7.681 0.044 176 H GLY 27 H GLY 27 -7.971 -5.965 -1.924 177 HA2 GLY 27 2HA GLY 27 -7.169 -4.962 -3.888 178 HA3 GLY 27 3HA GLY 27 -8.820 -4.551 -4.326 179 H ALA 28 H ALA 28 -8.942 -3.551 -1.359 180 HA ALA 28 HA ALA 28 -8.545 -0.808 -2.005 181 HB1 ALA 28 1HB ALA 28 -10.041 -2.130 -0.158 182 HB2 ALA 28 2HB ALA 28 -8.745 -1.473 0.843 183 HB3 ALA 28 3HB ALA 28 -9.729 -0.393 -0.145 184 H PHE 29 H PHE 29 -7.053 0.665 -1.128 185 HA PHE 29 HA PHE 29 -4.711 -0.476 0.216 186 HB3 PHE 29 2HB PHE 29 -4.336 -0.299 -2.284 187 HD1 PHE 29 2HD PHE 29 -6.425 1.215 -2.966 188 HD2 PHE 29 1HD PHE 29 -2.566 2.663 -1.909 189 HE1 PHE 29 2HE PHE 29 -6.873 3.297 -4.198 190 HE2 PHE 29 1HE PHE 29 -3.007 4.748 -3.139 191 HZ PHE 29 HZ PHE 29 -5.163 5.067 -4.286 192 H LEU 30 H LEU 30 -3.213 1.327 0.979 193 HA LEU 30 HA LEU 30 -4.457 3.890 1.453 194 HB3 LEU 30 2HB LEU 30 -5.411 2.362 3.189 195 HG LEU 30 HG LEU 30 -2.855 1.420 3.607 196 HD11 LEU 30 1HD1 LEU 30 -3.290 2.544 6.233 197 HD12 LEU 30 2HD1 LEU 30 -2.977 3.798 5.033 198 HD13 LEU 30 3HD1 LEU 30 -1.821 2.486 5.259 199 HD21 LEU 30 3HD2 LEU 30 -5.339 0.682 4.259 200 HD22 LEU 30 1HD2 LEU 30 -4.775 1.208 5.846 201 HD23 LEU 30 2HD2 LEU 30 -3.901 -0.052 4.974 202 H ILE 31 H ILE 31 -3.010 5.452 2.301 203 HA ILE 31 HA ILE 31 -0.183 4.629 2.162 204 HB ILE 31 HB ILE 31 -1.355 7.343 1.539 205 HG13 ILE 31 2HG1 ILE 31 -1.324 5.037 -0.038 206 HG21 ILE 31 1HG2 ILE 31 0.748 7.928 2.157 207 HG22 ILE 31 2HG2 ILE 31 1.407 6.325 1.837 208 HG23 ILE 31 3HG2 ILE 31 1.102 7.433 0.501 209 HD11 ILE 31 3HD1 ILE 31 -1.336 7.255 -1.780 210 HD12 ILE 31 1HD1 ILE 31 -2.705 6.315 -1.189 211 HD13 ILE 31 2HD1 ILE 31 -2.161 7.737 -0.297 212 H ARG 32 H ARG 32 1.216 5.266 3.745 213 HA ARG 32 HA ARG 32 0.234 7.031 5.863 214 HB3 ARG 32 2HB ARG 32 -0.204 4.615 6.466 215 HG3 ARG 32 2HG ARG 32 2.478 4.140 7.417 216 HD3 ARG 32 2HD ARG 32 0.846 2.464 5.530 217 HE ARG 32 HE ARG 32 3.078 1.908 7.267 218 HH11 ARG 32 1HH1 ARG 32 0.328 0.585 5.592 219 HH12 ARG 32 2HH1 ARG 32 0.959 -1.027 5.557 220 HH21 ARG 32 1HH2 ARG 32 3.921 -0.211 7.227 221 HH22 ARG 32 2HH2 ARG 32 3.004 -1.479 6.487 222 H ASP 33 H ASP 33 2.002 7.668 7.377 223 HA ASP 33 HA ASP 33 4.247 8.585 5.916 224 HB3 ASP 33 2HB ASP 33 4.036 8.488 8.924 225 H SER 34 H SER 34 6.008 7.500 5.376 226 HA SER 34 HA SER 34 6.595 4.939 6.558 227 HB3 SER 34 2HB SER 34 8.326 6.435 4.587 228 HG SER 34 HG SER 34 7.847 3.687 4.529 229 H HIS 35 H HIS 35 7.330 5.110 8.613 230 HA HIS 35 HA HIS 35 9.122 7.126 9.504 231 HB3 HIS 35 2HB HIS 35 9.128 4.649 11.066 232 HD1 HIS 35 1HD HIS 35 10.598 6.006 12.668 233 HD2 HIS 35 2HD HIS 35 6.887 7.728 11.943 234 HE1 HIS 35 1HE HIS 35 10.359 7.833 14.379 235 H SER 36 H SER 36 9.590 4.355 7.656 236 HA SER 36 HA SER 36 11.992 3.292 8.505 237 HB3 SER 36 2HB SER 36 12.372 2.940 5.939 238 HG SER 36 HG SER 36 10.007 1.946 7.152 239 H PHE 37 H PHE 37 11.860 5.505 5.724 240 HA PHE 37 HA PHE 37 14.118 7.002 6.832 241 HB3 PHE 37 2HB PHE 37 14.852 6.899 4.217 242 HD1 PHE 37 2HD PHE 37 15.161 3.688 5.944 243 HD2 PHE 37 1HD PHE 37 16.880 7.534 5.341 244 HE1 PHE 37 2HE PHE 37 17.250 2.913 6.987 245 HE2 PHE 37 1HE PHE 37 18.972 6.765 6.383 246 HZ PHE 37 HZ PHE 37 19.159 4.453 7.208 247 H GLN 38 H GLN 38 14.486 9.063 5.743 248 HA GLN 38 HA GLN 38 12.110 10.499 5.344 249 HB3 GLN 38 2HB GLN 38 14.323 11.442 6.077 250 HG3 GLN 38 2HG GLN 38 15.062 11.975 3.274 251 HE21 GLN 38 1HE2 GLN 38 16.841 13.138 3.325 252 HE22 GLN 38 2HE2 GLN 38 17.971 13.214 4.629 253 H GLY 39 H GLY 39 11.131 11.345 3.510 254 HA2 GLY 39 2HA GLY 39 10.538 11.499 1.289 255 HA3 GLY 39 3HA GLY 39 12.154 10.942 0.878 256 H ALA 40 H ALA 40 9.983 9.132 2.941 257 HA ALA 40 HA ALA 40 9.541 7.216 0.749 258 HB1 ALA 40 1HB ALA 40 9.894 5.365 2.262 259 HB2 ALA 40 2HB ALA 40 11.318 6.407 2.253 260 HB3 ALA 40 3HB ALA 40 10.182 6.478 3.600 261 H TYR 41 H TYR 41 7.614 5.998 0.854 262 HA TYR 41 HA TYR 41 5.639 6.906 2.834 263 HB3 TYR 41 2HB TYR 41 3.979 6.669 0.817 264 HD1 TYR 41 2HD TYR 41 6.719 9.052 0.113 265 HD2 TYR 41 1HD TYR 41 2.919 8.472 1.936 266 HE1 TYR 41 2HE TYR 41 6.503 11.483 0.424 267 HE2 TYR 41 1HE TYR 41 2.691 10.901 2.251 268 HH TYR 41 HH TYR 41 5.118 13.000 2.161 269 H GLY 42 H GLY 42 4.447 5.326 3.724 270 HA2 GLY 42 2HA GLY 42 5.014 2.589 2.933 271 HA3 GLY 42 3HA GLY 42 4.121 3.102 4.357 272 H LEU 43 H LEU 43 3.861 1.631 1.401 273 HA LEU 43 HA LEU 43 1.039 2.385 1.075 274 HB3 LEU 43 2HB LEU 43 2.980 1.060 -0.810 275 HG LEU 43 HG LEU 43 0.456 0.391 -1.055 276 HD11 LEU 43 1HD1 LEU 43 -0.477 2.609 -0.922 277 HD12 LEU 43 2HD1 LEU 43 -0.740 1.961 -2.541 278 HD13 LEU 43 3HD1 LEU 43 0.532 3.152 -2.264 279 HD21 LEU 43 3HD2 LEU 43 0.838 -0.015 -3.315 280 HD22 LEU 43 1HD2 LEU 43 2.462 0.071 -2.633 281 HD23 LEU 43 2HD2 LEU 43 1.802 1.449 -3.515 282 H ALA 44 H ALA 44 -0.477 1.014 1.718 283 HA ALA 44 HA ALA 44 0.242 -1.828 2.036 284 HB1 ALA 44 1HB ALA 44 -0.653 -0.032 3.986 285 HB2 ALA 44 2HB ALA 44 -2.028 -1.079 3.631 286 HB3 ALA 44 3HB ALA 44 -0.490 -1.783 4.131 287 H LEU 45 H LEU 45 -1.084 -3.346 1.175 288 HA LEU 45 HA LEU 45 -3.640 -2.476 0.024 289 HB3 LEU 45 2HB LEU 45 -1.399 -3.901 -1.374 290 HG LEU 45 HG LEU 45 -3.499 -5.148 -1.879 291 HD11 LEU 45 1HD1 LEU 45 -4.533 -2.497 -2.097 292 HD12 LEU 45 2HD1 LEU 45 -5.391 -4.036 -2.173 293 HD13 LEU 45 3HD1 LEU 45 -4.723 -3.326 -3.643 294 HD21 LEU 45 3HD2 LEU 45 -1.783 -5.213 -3.510 295 HD22 LEU 45 1HD2 LEU 45 -2.137 -3.571 -4.050 296 HD23 LEU 45 2HD2 LEU 45 -3.281 -4.873 -4.377 297 H LYS 46 H LYS 46 -5.244 -4.036 -0.053 298 HA LYS 46 HA LYS 46 -4.699 -6.434 1.549 299 HB3 LYS 46 2HB LYS 46 -7.440 -5.450 0.811 300 HG3 LYS 46 2HG LYS 46 -7.032 -6.357 3.520 301 HD3 LYS 46 2HD LYS 46 -8.737 -7.372 1.245 302 HE3 LYS 46 2HE LYS 46 -8.246 -8.486 3.786 303 HZ1 LYS 46 3HZ LYS 46 -11.085 -7.976 3.795 304 HZ2 LYS 46 1HZ LYS 46 -10.145 -6.621 4.173 305 HZ3 LYS 46 2HZ LYS 46 -9.992 -8.038 5.084 306 H VAL 47 H VAL 47 -4.998 -8.453 0.768 307 HA VAL 47 HA VAL 47 -5.500 -8.699 -2.098 308 HB VAL 47 HB VAL 47 -4.626 -10.944 -1.922 309 HG11 VAL 47 1HG1 VAL 47 -2.504 -10.240 -1.880 310 HG12 VAL 47 2HG1 VAL 47 -3.174 -8.651 -1.510 311 HG13 VAL 47 3HG1 VAL 47 -2.622 -9.701 -0.205 312 HG21 VAL 47 3HG2 VAL 47 -5.119 -10.511 0.954 313 HG22 VAL 47 1HG2 VAL 47 -5.216 -11.986 -0.008 314 HG23 VAL 47 2HG2 VAL 47 -3.649 -11.398 0.547 315 H ALA 48 H ALA 48 -6.860 -10.471 -2.892 316 HA ALA 48 HA ALA 48 -9.229 -10.818 -1.180 317 HB1 ALA 48 1HB ALA 48 -9.008 -9.860 -3.784 318 HB2 ALA 48 2HB ALA 48 -9.660 -11.491 -3.953 319 HB3 ALA 48 3HB ALA 48 -10.490 -10.311 -2.938 320 H THR 49 H THR 49 -6.757 -12.481 -1.211 321 HA THR 49 HA THR 49 -7.926 -15.002 -0.915 322 HB THR 49 HB THR 49 -8.206 -15.340 -3.197 323 HG1 THR 49 1HG THR 49 -6.551 -16.834 -3.768 324 HG21 THR 49 3HG2 THR 49 -7.284 -13.550 -4.307 325 HG22 THR 49 1HG2 THR 49 -6.148 -14.820 -4.758 326 HG23 THR 49 2HG2 THR 49 -5.738 -13.687 -3.470 327 HA PRO 50 HA PRO 50 -4.099 -15.589 1.171 328 HB3 PRO 50 2HB PRO 50 -5.159 -17.251 2.352 329 HG3 PRO 50 2HG PRO 50 -6.747 -18.615 1.338 330 HD3 PRO 50 2HD PRO 50 -7.539 -16.546 0.704 331 HA PRO 51 HA PRO 51 -0.869 -16.637 -1.622 332 HB3 PRO 51 2HB PRO 51 0.625 -16.116 0.044 333 HG3 PRO 51 2HG PRO 51 0.196 -16.679 2.260 334 HD3 PRO 51 2HD PRO 51 -1.797 -15.656 1.717 335 HA PRO 52 HA PRO 52 -1.100 -20.767 -3.110 336 HB3 PRO 52 2HB PRO 52 0.280 -20.133 -4.834 337 HG3 PRO 52 2HG PRO 52 2.052 -18.671 -4.476 338 HD3 PRO 52 2HD PRO 52 0.354 -17.491 -3.459 339 H SER 53 H SER 53 1.891 -20.246 -1.240 340 HA SER 53 HA SER 53 1.314 -22.304 0.614 341 HB3 SER 53 2HB SER 53 3.490 -23.625 -0.190 342 HG SER 53 HG SER 53 1.739 -24.711 -1.702 343 H ALA 54 H ALA 54 1.850 -20.069 1.532 344 HA ALA 54 HA ALA 54 4.751 -19.873 2.020 345 HB1 ALA 54 1HB ALA 54 4.101 -17.883 0.950 346 HB2 ALA 54 2HB ALA 54 2.631 -17.746 1.915 347 HB3 ALA 54 3HB ALA 54 4.205 -17.474 2.663 348 H GLN 55 H GLN 55 4.260 -21.596 3.648 349 HA GLN 55 HA GLN 55 3.994 -22.283 5.800 350 HB3 GLN 55 2HB GLN 55 4.522 -20.682 7.555 351 HG3 GLN 55 2HG GLN 55 6.567 -19.537 6.511 352 HE21 GLN 55 1HE2 GLN 55 7.280 -22.204 4.833 353 HE22 GLN 55 2HE2 GLN 55 7.812 -23.245 6.104 354 HA PRO 56 HA PRO 56 -0.484 -21.040 5.710 355 HB3 PRO 56 2HB PRO 56 -0.981 -22.638 4.136 356 HG3 PRO 56 2HG PRO 56 0.384 -24.497 3.842 357 HD3 PRO 56 2HD PRO 56 1.969 -22.826 3.771 358 H TRP 57 H TRP 57 -1.782 -20.966 7.478 359 HA TRP 57 HA TRP 57 -1.143 -22.741 9.735 360 HB3 TRP 57 2HB TRP 57 -2.047 -20.130 10.615 361 HD1 TRP 57 HD TRP 57 -1.871 -21.452 12.947 362 HE1 TRP 57 1HE TRP 57 0.147 -22.024 14.438 363 HE3 TRP 57 3HE TRP 57 1.884 -20.633 9.576 364 HZ2 TRP 57 2HZ TRP 57 2.959 -22.117 14.214 365 HZ3 TRP 57 3HZ TRP 57 4.211 -20.987 10.295 366 HH2 TRP 57 HH TRP 57 4.735 -21.712 12.566 367 H LYS 58 H LYS 58 -2.902 -22.744 11.406 368 HA LYS 58 HA LYS 58 -5.502 -22.763 10.045 369 HB3 LYS 58 2HB LYS 58 -5.028 -24.003 12.730 370 HG3 LYS 58 2HG LYS 58 -6.508 -25.351 10.552 371 HD3 LYS 58 2HD LYS 58 -7.813 -25.074 13.110 372 HE3 LYS 58 2HE LYS 58 -6.619 -27.645 12.310 373 HZ1 LYS 58 3HZ LYS 58 -8.935 -26.688 13.609 374 HZ2 LYS 58 1HZ LYS 58 -8.345 -28.271 13.520 375 HZ3 LYS 58 2HZ LYS 58 -9.389 -27.690 12.323 376 H GLY 59 H GLY 59 -4.721 -20.255 10.707 377 HA2 GLY 59 2HA GLY 59 -6.614 -19.603 12.855 378 HA3 GLY 59 3HA GLY 59 -4.985 -18.950 12.945 379 H ASP 60 H ASP 60 -5.026 -16.869 12.444 380 HA ASP 60 HA ASP 60 -6.554 -16.045 10.064 381 HB3 ASP 60 2HB ASP 60 -6.623 -13.763 11.415 382 HA PRO 61 HA PRO 61 -2.067 -14.942 9.600 383 HB3 PRO 61 2HB PRO 61 -1.635 -16.879 8.442 384 HG3 PRO 61 2HG PRO 61 -3.337 -18.032 7.355 385 HD3 PRO 61 2HD PRO 61 -4.303 -17.761 9.429 386 H VAL 62 H VAL 62 -2.935 -12.751 9.712 387 HA VAL 62 HA VAL 62 -4.057 -11.554 7.347 388 HB VAL 62 HB VAL 62 -3.025 -10.259 9.874 389 HG11 VAL 62 1HG1 VAL 62 -4.659 -9.136 7.603 390 HG12 VAL 62 2HG1 VAL 62 -4.367 -8.315 9.137 391 HG13 VAL 62 3HG1 VAL 62 -3.020 -8.673 8.056 392 HG21 VAL 62 3HG2 VAL 62 -5.000 -10.669 10.842 393 HG22 VAL 62 1HG2 VAL 62 -5.898 -10.262 9.380 394 HG23 VAL 62 2HG2 VAL 62 -5.224 -11.880 9.579 395 H GLU 63 H GLU 63 -0.897 -12.014 8.676 396 HA GLU 63 HA GLU 63 0.536 -9.925 7.557 397 HB3 GLU 63 2HB GLU 63 2.251 -12.075 7.312 398 HG3 GLU 63 2HG GLU 63 1.596 -10.474 9.773 399 H GLN 64 H GLN 64 -0.531 -12.949 6.087 400 HA GLN 64 HA GLN 64 0.779 -12.331 3.577 401 HB3 GLN 64 2HB GLN 64 -0.656 -14.449 2.910 402 HG3 GLN 64 2HG GLN 64 1.656 -14.738 2.925 403 HE21 GLN 64 1HE2 GLN 64 3.176 -13.381 3.599 404 HE22 GLN 64 2HE2 GLN 64 3.677 -13.170 5.240 405 H LEU 65 H LEU 65 -2.340 -11.985 5.036 406 HA LEU 65 HA LEU 65 -3.803 -11.652 2.599 407 HB3 LEU 65 2HB LEU 65 -5.557 -10.706 4.139 408 HG LEU 65 HG LEU 65 -4.448 -13.431 4.763 409 HD11 LEU 65 1HD1 LEU 65 -6.232 -11.891 6.363 410 HD12 LEU 65 2HD1 LEU 65 -5.697 -13.555 6.588 411 HD13 LEU 65 3HD1 LEU 65 -7.131 -13.214 5.620 412 HD21 LEU 65 3HD2 LEU 65 -7.125 -13.097 3.620 413 HD22 LEU 65 1HD2 LEU 65 -5.816 -14.185 3.155 414 HD23 LEU 65 2HD2 LEU 65 -5.813 -12.514 2.592 415 H VAL 66 H VAL 66 -1.881 -9.611 4.611 416 HA VAL 66 HA VAL 66 -2.683 -7.284 2.987 417 HB VAL 66 HB VAL 66 -1.754 -7.269 5.863 418 HG11 VAL 66 1HG1 VAL 66 -1.914 -5.186 3.815 419 HG12 VAL 66 2HG1 VAL 66 -2.736 -4.779 5.323 420 HG13 VAL 66 3HG1 VAL 66 -1.027 -5.215 5.339 421 HG21 VAL 66 3HG2 VAL 66 -4.419 -7.143 4.564 422 HG22 VAL 66 1HG2 VAL 66 -3.940 -7.856 6.104 423 HG23 VAL 66 2HG2 VAL 66 -4.142 -6.110 5.965 424 H ARG 67 H ARG 67 -1.122 -6.499 1.744 425 HA ARG 67 HA ARG 67 1.668 -7.150 2.416 426 HB3 ARG 67 2HB ARG 67 0.829 -6.241 -0.308 427 HG3 ARG 67 2HG ARG 67 3.248 -6.769 0.457 428 HD3 ARG 67 2HD ARG 67 1.949 -9.434 0.414 429 HE ARG 67 HE ARG 67 4.201 -8.977 -1.214 430 HH11 ARG 67 1HH1 ARG 67 3.030 -11.153 1.238 431 HH12 ARG 67 2HH1 ARG 67 3.965 -12.498 0.677 432 HH21 ARG 67 1HH2 ARG 67 5.439 -10.741 -1.963 433 HH22 ARG 67 2HH2 ARG 67 5.335 -12.263 -1.144 434 H HIS 68 H HIS 68 2.788 -5.517 3.231 435 HA HIS 68 HA HIS 68 2.178 -2.788 2.299 436 HB3 HIS 68 2HB HIS 68 1.522 -3.104 4.643 437 HD1 HIS 68 1HD HIS 68 5.068 -2.605 5.602 438 HD2 HIS 68 2HD HIS 68 2.194 -5.597 5.820 439 HE1 HIS 68 1HE HIS 68 5.986 -4.302 7.215 440 H PHE 69 H PHE 69 3.780 -1.774 1.294 441 HA PHE 69 HA PHE 69 6.549 -2.588 1.861 442 HB3 PHE 69 2HB PHE 69 6.439 -1.757 -0.838 443 HD1 PHE 69 2HD PHE 69 8.714 -2.576 0.328 444 HD2 PHE 69 1HD PHE 69 5.558 -5.099 -1.012 445 HE1 PHE 69 2HE PHE 69 10.293 -4.454 0.155 446 HE2 PHE 69 1HE PHE 69 7.132 -6.981 -1.187 447 HZ PHE 69 HZ PHE 69 9.504 -6.660 -0.604 448 H LEU 70 H LEU 70 8.144 -0.971 1.520 449 HA LEU 70 HA LEU 70 7.071 1.741 1.795 450 HB3 LEU 70 2HB LEU 70 8.500 1.235 3.576 451 HG LEU 70 HG LEU 70 10.170 -0.207 1.625 452 HD11 LEU 70 1HD1 LEU 70 12.233 0.356 2.391 453 HD12 LEU 70 2HD1 LEU 70 11.636 0.839 3.979 454 HD13 LEU 70 3HD1 LEU 70 11.434 1.915 2.597 455 HD21 LEU 70 3HD2 LEU 70 10.020 -0.522 4.607 456 HD22 LEU 70 1HD2 LEU 70 10.422 -1.731 3.386 457 HD23 LEU 70 2HD2 LEU 70 8.765 -1.146 3.536 458 H ILE 71 H ILE 71 7.180 3.138 0.173 459 HA ILE 71 HA ILE 71 8.906 2.503 -2.116 460 HB ILE 71 HB ILE 71 6.753 4.601 -2.100 461 HG13 ILE 71 2HG1 ILE 71 6.474 1.678 -2.029 462 HG21 ILE 71 1HG2 ILE 71 6.833 4.438 -4.439 463 HG22 ILE 71 2HG2 ILE 71 8.519 4.412 -3.926 464 HG23 ILE 71 3HG2 ILE 71 7.714 2.912 -4.388 465 HD11 ILE 71 3HD1 ILE 71 4.828 2.244 -0.676 466 HD12 ILE 71 1HD1 ILE 71 5.094 3.949 -1.038 467 HD13 ILE 71 2HD1 ILE 71 3.982 3.001 -2.026 468 H GLU 72 H GLU 72 10.513 3.824 -2.771 469 HA GLU 72 HA GLU 72 10.944 6.282 -1.205 470 HB3 GLU 72 2HB GLU 72 13.382 5.727 -2.307 471 HG3 GLU 72 2HG GLU 72 13.205 4.219 0.105 472 H THR 73 H THR 73 11.337 8.179 -2.239 473 HA THR 73 HA THR 73 11.205 8.124 -5.184 474 HB THR 73 HB THR 73 9.214 9.157 -4.271 475 HG1 THR 73 1HG THR 73 9.456 11.223 -5.284 476 HG21 THR 73 3HG2 THR 73 9.247 11.048 -2.806 477 HG22 THR 73 1HG2 THR 73 11.003 11.170 -2.913 478 HG23 THR 73 2HG2 THR 73 10.263 9.801 -2.084 479 H GLY 74 H GLY 74 12.933 8.852 -6.234 480 HA2 GLY 74 2HA GLY 74 14.678 10.808 -4.878 481 HA3 GLY 74 3HA GLY 74 15.359 9.387 -5.657 482 HA PRO 75 HA PRO 75 15.349 12.915 -8.688 483 HB3 PRO 75 2HB PRO 75 17.446 13.601 -8.047 484 HG3 PRO 75 2HG PRO 75 18.914 12.141 -6.988 485 HD3 PRO 75 2HD PRO 75 17.032 11.814 -5.700 486 H LYS 76 H LYS 76 15.769 9.564 -8.694 487 HA LYS 76 HA LYS 76 15.860 9.464 -11.634 488 HB3 LYS 76 2HB LYS 76 16.208 6.883 -10.891 489 HG3 LYS 76 2HG LYS 76 18.774 7.616 -10.744 490 HD3 LYS 76 2HD LYS 76 17.709 8.061 -13.437 491 HE3 LYS 76 2HE LYS 76 19.972 6.967 -12.270 492 HZ1 LYS 76 3HZ LYS 76 20.063 4.725 -12.884 493 HZ2 LYS 76 1HZ LYS 76 18.617 4.800 -13.759 494 HZ3 LYS 76 2HZ LYS 76 18.588 4.877 -12.070 495 H GLY 77 H GLY 77 13.661 9.542 -9.259 496 HA2 GLY 77 2HA GLY 77 11.336 9.232 -10.035 497 HA3 GLY 77 3HA GLY 77 11.855 7.680 -10.675 498 H VAL 78 H VAL 78 9.746 7.463 -9.174 499 HA VAL 78 HA VAL 78 10.687 6.722 -6.482 500 HB VAL 78 HB VAL 78 8.941 8.377 -6.353 501 HG11 VAL 78 1HG1 VAL 78 7.967 7.983 -8.581 502 HG12 VAL 78 2HG1 VAL 78 7.228 6.498 -7.978 503 HG13 VAL 78 3HG1 VAL 78 6.741 8.059 -7.316 504 HG21 VAL 78 3HG2 VAL 78 7.667 5.724 -5.721 505 HG22 VAL 78 1HG2 VAL 78 8.967 6.426 -4.759 506 HG23 VAL 78 2HG2 VAL 78 7.423 7.267 -4.903 507 H LYS 79 H LYS 79 10.729 4.638 -5.957 508 HA LYS 79 HA LYS 79 8.929 2.758 -7.277 509 HB3 LYS 79 2HB LYS 79 10.989 2.765 -8.635 510 HG3 LYS 79 2HG LYS 79 12.440 3.198 -6.469 511 HD3 LYS 79 2HD LYS 79 13.273 0.408 -6.774 512 HE3 LYS 79 2HE LYS 79 12.670 1.336 -4.103 513 HZ1 LYS 79 3HZ LYS 79 14.354 -0.359 -4.862 514 HZ2 LYS 79 1HZ LYS 79 14.896 0.759 -3.714 515 HZ3 LYS 79 2HZ LYS 79 15.331 0.937 -5.339 516 H ILE 80 H ILE 80 8.856 0.656 -6.199 517 HA ILE 80 HA ILE 80 8.847 0.952 -3.361 518 HB ILE 80 HB ILE 80 8.440 -1.532 -5.031 519 HG13 ILE 80 2HG1 ILE 80 6.842 0.367 -5.438 520 HG21 ILE 80 1HG2 ILE 80 8.780 -2.465 -2.987 521 HG22 ILE 80 2HG2 ILE 80 8.324 -1.000 -2.119 522 HG23 ILE 80 3HG2 ILE 80 7.077 -2.043 -2.802 523 HD11 ILE 80 3HD1 ILE 80 6.022 -2.294 -4.488 524 HD12 ILE 80 1HD1 ILE 80 4.762 -1.062 -4.547 525 HD13 ILE 80 2HD1 ILE 80 5.670 -1.465 -6.004 526 H LYS 81 H LYS 81 10.537 0.748 -2.067 527 HA LYS 81 HA LYS 81 13.047 -0.241 -2.903 528 HB3 LYS 81 2HB LYS 81 12.301 -0.084 -0.007 529 HG3 LYS 81 2HG LYS 81 14.547 1.434 -0.444 530 HD3 LYS 81 2HD LYS 81 14.884 -1.477 0.066 531 HE3 LYS 81 2HE LYS 81 15.704 0.293 2.162 532 HZ1 LYS 81 3HZ LYS 81 16.671 -1.896 1.497 533 HZ2 LYS 81 1HZ LYS 81 17.810 -0.674 1.764 534 HZ3 LYS 81 2HZ LYS 81 17.402 -1.120 0.184 535 H GLY 82 H GLY 82 13.913 -2.226 -2.862 536 HA2 GLY 82 2HA GLY 82 14.200 -4.339 -1.661 537 HA3 GLY 82 3HA GLY 82 12.468 -4.323 -1.365 538 H CYS 83 H CYS 83 12.277 -3.273 -4.276 539 HA CYS 83 HA CYS 83 12.033 -5.930 -5.440 540 HB3 CYS 83 2HB CYS 83 11.106 -3.204 -6.353 541 HG CYS 83 HG CYS 83 9.706 -4.152 -8.511 542 HA PRO 84 HA PRO 84 15.836 -5.578 -7.664 543 HB3 PRO 84 2HB PRO 84 15.843 -7.876 -7.691 544 HG3 PRO 84 2HG PRO 84 13.856 -9.080 -7.798 545 HD3 PRO 84 2HD PRO 84 13.358 -7.644 -6.064 546 H SER 85 H SER 85 12.779 -5.912 -9.440 547 HA SER 85 HA SER 85 13.594 -5.183 -11.971 548 HB3 SER 85 2HB SER 85 10.996 -4.218 -10.777 549 HG SER 85 HG SER 85 11.012 -5.447 -13.215 550 H GLU 86 H GLU 86 12.278 -2.974 -9.495 551 HA GLU 86 HA GLU 86 12.574 -0.749 -9.129 552 HB3 GLU 86 2HB GLU 86 14.864 0.083 -10.316 553 HG3 GLU 86 2HG GLU 86 14.391 -1.357 -7.756 554 HA PRO 87 HA PRO 87 10.952 0.133 -13.388 555 HB3 PRO 87 2HB PRO 87 8.860 -0.634 -12.827 556 HG3 PRO 87 2HG PRO 87 8.170 -0.721 -10.607 557 HD3 PRO 87 2HD PRO 87 10.208 -1.785 -10.432 558 H TYR 88 H TYR 88 10.614 2.037 -10.405 559 HA TYR 88 HA TYR 88 10.893 4.250 -9.960 560 HB3 TYR 88 2HB TYR 88 12.518 5.454 -11.592 561 HD1 TYR 88 1HD TYR 88 13.131 5.829 -9.194 562 HD2 TYR 88 2HD TYR 88 14.094 2.224 -11.238 563 HE1 TYR 88 1HE TYR 88 14.797 5.299 -7.464 564 HE2 TYR 88 2HE TYR 88 15.762 1.685 -9.514 565 HH TYR 88 HH TYR 88 15.974 3.414 -6.557 566 H PHE 89 H PHE 89 8.675 4.680 -10.382 567 HA PHE 89 HA PHE 89 7.960 5.684 -13.017 568 HB3 PHE 89 2HB PHE 89 5.685 5.794 -12.155 569 HD1 PHE 89 2HD PHE 89 5.897 4.013 -13.902 570 HD2 PHE 89 1HD PHE 89 6.607 3.268 -9.773 571 HE1 PHE 89 2HE PHE 89 5.628 1.600 -14.296 572 HE2 PHE 89 1HE PHE 89 6.340 0.852 -10.159 573 HZ PHE 89 HZ PHE 89 5.848 0.016 -12.423 574 H GLY 90 H GLY 90 6.159 7.646 -12.501 575 HA2 GLY 90 2HA GLY 90 7.835 9.904 -12.079 576 HA3 GLY 90 3HA GLY 90 6.092 9.937 -12.300 577 H SER 91 H SER 91 4.790 9.266 -10.364 578 HA SER 91 HA SER 91 6.132 9.928 -7.839 579 HB3 SER 91 2HB SER 91 3.621 11.062 -7.552 580 HG SER 91 HG SER 91 6.129 12.194 -8.224 581 H LEU 92 H LEU 92 4.342 9.652 -6.000 582 HA LEU 92 HA LEU 92 3.841 6.946 -5.742 583 HB3 LEU 92 2HB LEU 92 1.976 7.879 -4.098 584 HG LEU 92 HG LEU 92 4.909 8.362 -3.578 585 HD11 LEU 92 1HD1 LEU 92 3.372 7.784 -1.247 586 HD12 LEU 92 2HD1 LEU 92 2.650 9.154 -2.089 587 HD13 LEU 92 3HD1 LEU 92 4.347 9.208 -1.611 588 HD21 LEU 92 3HD2 LEU 92 4.960 6.122 -3.715 589 HD22 LEU 92 1HD2 LEU 92 3.207 5.972 -3.592 590 HD23 LEU 92 2HD2 LEU 92 4.178 6.179 -2.134 591 H SER 93 H SER 93 1.801 9.468 -7.098 592 HA SER 93 HA SER 93 -0.550 7.881 -7.309 593 HB3 SER 93 2HB SER 93 -0.315 10.001 -9.306 594 HG SER 93 HG SER 93 -1.954 10.326 -7.122 595 H ALA 94 H ALA 94 2.207 8.468 -9.397 596 HA ALA 94 HA ALA 94 1.133 7.315 -11.750 597 HB1 ALA 94 1HB ALA 94 3.206 8.813 -11.473 598 HB2 ALA 94 2HB ALA 94 4.059 7.313 -11.106 599 HB3 ALA 94 3HB ALA 94 3.263 7.516 -12.666 600 H LEU 95 H LEU 95 3.159 5.999 -9.148 601 HA LEU 95 HA LEU 95 3.320 3.391 -10.291 602 HB3 LEU 95 2HB LEU 95 5.051 4.076 -8.815 603 HG LEU 95 HG LEU 95 3.453 5.546 -7.336 604 HD11 LEU 95 1HD1 LEU 95 3.482 4.031 -5.079 605 HD12 LEU 95 2HD1 LEU 95 3.066 2.833 -6.304 606 HD13 LEU 95 3HD1 LEU 95 2.073 4.277 -6.111 607 HD21 LEU 95 3HD2 LEU 95 6.003 4.169 -6.693 608 HD22 LEU 95 1HD2 LEU 95 5.200 5.069 -5.405 609 HD23 LEU 95 2HD2 LEU 95 5.661 5.888 -6.897 610 H VAL 96 H VAL 96 1.127 4.997 -8.103 611 HA VAL 96 HA VAL 96 -0.153 2.659 -7.110 612 HB VAL 96 HB VAL 96 -0.814 5.573 -7.110 613 HG11 VAL 96 1HG1 VAL 96 -2.965 4.754 -7.558 614 HG12 VAL 96 2HG1 VAL 96 -2.727 3.328 -6.545 615 HG13 VAL 96 3HG1 VAL 96 -2.908 4.918 -5.803 616 HG21 VAL 96 3HG2 VAL 96 0.102 5.423 -5.093 617 HG22 VAL 96 1HG2 VAL 96 -1.153 4.282 -4.609 618 HG23 VAL 96 2HG2 VAL 96 0.348 3.692 -5.323 619 H SER 97 H SER 97 -0.838 4.882 -9.777 620 HA SER 97 HA SER 97 -3.290 3.631 -10.517 621 HB3 SER 97 2HB SER 97 -2.520 6.020 -11.063 622 HG SER 97 HG SER 97 -1.608 5.477 -13.478 623 H GLN 98 H GLN 98 0.059 3.353 -11.596 624 HA GLN 98 HA GLN 98 -0.482 1.615 -13.777 625 HB3 GLN 98 2HB GLN 98 1.999 1.107 -13.589 626 HG3 GLN 98 2HG GLN 98 2.734 3.481 -14.054 627 HE21 GLN 98 1HE2 GLN 98 0.731 4.628 -15.883 628 HE22 GLN 98 2HE2 GLN 98 0.652 3.541 -17.224 629 H HIS 99 H HIS 99 0.062 1.139 -10.368 630 HA HIS 99 HA HIS 99 0.605 -1.653 -10.495 631 HB3 HIS 99 2HB HIS 99 -0.220 -1.440 -7.994 632 HD1 HIS 99 1HD HIS 99 1.893 0.592 -6.727 633 HD2 HIS 99 2HD HIS 99 2.602 -2.145 -9.772 634 HE1 HIS 99 1HE HIS 99 4.369 0.153 -6.674 635 H SER 100 H SER 100 -2.189 0.116 -11.033 636 HA SER 100 HA SER 100 -3.998 -1.975 -10.101 637 HB3 SER 100 2HB SER 100 -4.275 0.730 -10.125 638 HG SER 100 HG SER 100 -6.179 0.303 -11.981 639 H ILE 101 H ILE 101 -2.148 -1.471 -12.755 640 HA ILE 101 HA ILE 101 -4.017 -2.962 -14.472 641 HB ILE 101 HB ILE 101 -2.054 -0.901 -15.474 642 HG13 ILE 101 2HG1 ILE 101 -3.889 0.143 -14.191 643 HG21 ILE 101 1HG2 ILE 101 -4.287 -2.341 -16.898 644 HG22 ILE 101 2HG2 ILE 101 -3.154 -1.192 -17.606 645 HG23 ILE 101 3HG2 ILE 101 -2.575 -2.751 -17.020 646 HD11 ILE 101 3HD1 ILE 101 -4.318 1.804 -15.652 647 HD12 ILE 101 1HD1 ILE 101 -3.062 0.984 -16.580 648 HD13 ILE 101 2HD1 ILE 101 -4.763 0.698 -16.953 649 H SER 102 H SER 102 -0.674 -2.264 -13.614 650 HA SER 102 HA SER 102 0.060 -4.956 -14.495 651 HB3 SER 102 2HB SER 102 1.946 -2.709 -15.109 652 HG SER 102 HG SER 102 2.274 -5.140 -15.328 653 HA PRO 103 HA PRO 103 1.666 -3.908 -10.281 654 HB3 PRO 103 2HB PRO 103 -0.140 -4.920 -9.285 655 HG3 PRO 103 2HG PRO 103 -1.380 -6.535 -10.409 656 HD3 PRO 103 2HD PRO 103 -1.338 -4.881 -12.013 657 H ILE 104 H ILE 104 3.739 -4.269 -9.795 658 HA ILE 104 HA ILE 104 5.141 -6.447 -11.150 659 HB ILE 104 HB ILE 104 6.236 -4.090 -9.609 660 HG13 ILE 104 2HG1 ILE 104 5.045 -3.811 -11.923 661 HG21 ILE 104 1HG2 ILE 104 8.394 -4.776 -10.703 662 HG22 ILE 104 2HG2 ILE 104 7.809 -5.858 -9.440 663 HG23 ILE 104 3HG2 ILE 104 7.603 -6.293 -11.135 664 HD11 ILE 104 3HD1 ILE 104 6.111 -1.893 -11.256 665 HD12 ILE 104 1HD1 ILE 104 7.685 -2.680 -11.133 666 HD13 ILE 104 2HD1 ILE 104 7.007 -2.304 -12.718 667 H SER 105 H SER 105 5.650 -4.944 -7.965 668 HA SER 105 HA SER 105 6.205 -7.595 -6.863 669 HB3 SER 105 2HB SER 105 7.740 -5.556 -6.539 670 HG SER 105 HG SER 105 6.004 -4.139 -5.892 671 H LEU 106 H LEU 106 3.498 -6.941 -7.478 672 HA LEU 106 HA LEU 106 2.346 -6.928 -4.767 673 HB3 LEU 106 2HB LEU 106 0.284 -5.971 -5.863 674 HG LEU 106 HG LEU 106 2.752 -4.238 -5.903 675 HD11 LEU 106 1HD1 LEU 106 -0.143 -3.575 -6.338 676 HD12 LEU 106 2HD1 LEU 106 1.253 -3.123 -7.316 677 HD13 LEU 106 3HD1 LEU 106 1.010 -2.385 -5.732 678 HD21 LEU 106 3HD2 LEU 106 2.118 -5.187 -3.718 679 HD22 LEU 106 1HD2 LEU 106 0.516 -4.471 -3.893 680 HD23 LEU 106 2HD2 LEU 106 1.937 -3.433 -3.774 681 HA PRO 107 HA PRO 107 0.459 -10.784 -5.685 682 HB3 PRO 107 2HB PRO 107 -0.303 -10.797 -3.518 683 HG3 PRO 107 2HG PRO 107 -1.014 -8.839 -2.484 684 HD3 PRO 107 2HD PRO 107 1.021 -8.136 -3.310 685 H CYS 108 H CYS 108 -1.688 -7.973 -6.029 686 HA CYS 108 HA CYS 108 -2.550 -8.912 -8.620 687 HB3 CYS 108 2HB CYS 108 -4.899 -8.256 -7.007 688 HG CYS 108 HG CYS 108 -4.229 -10.030 -9.648 689 H CYS 109 H CYS 109 -3.686 -7.305 -9.831 690 HA CYS 109 HA CYS 109 -2.723 -4.732 -9.586 691 HB3 CYS 109 2HB CYS 109 -3.676 -5.551 -11.664 692 HG CYS 109 HG CYS 109 -6.669 -5.327 -11.953 693 H LEU 110 H LEU 110 -3.229 -2.996 -8.406 694 HA LEU 110 HA LEU 110 -4.898 -3.132 -6.181 695 HB3 LEU 110 2HB LEU 110 -4.176 -0.583 -7.601 696 HG LEU 110 HG LEU 110 -4.851 -1.228 -4.776 697 HD11 LEU 110 1HD1 LEU 110 -3.068 -0.224 -3.924 698 HD12 LEU 110 2HD1 LEU 110 -3.563 1.261 -4.737 699 HD13 LEU 110 3HD1 LEU 110 -2.452 0.148 -5.535 700 HD21 LEU 110 3HD2 LEU 110 -6.386 0.372 -5.060 701 HD22 LEU 110 1HD2 LEU 110 -6.030 0.229 -6.782 702 HD23 LEU 110 2HD2 LEU 110 -5.230 1.470 -5.816 703 H ARG 111 H ARG 111 -6.902 -2.143 -5.701 704 HA ARG 111 HA ARG 111 -8.674 -1.957 -8.031 705 HB3 ARG 111 2HB ARG 111 -10.395 -1.980 -5.980 706 HG3 ARG 111 2HG ARG 111 -10.277 -3.678 -7.778 707 HD3 ARG 111 2HD ARG 111 -7.855 -4.372 -6.379 708 HE ARG 111 HE ARG 111 -9.706 -6.203 -5.715 709 HH11 ARG 111 1HH1 ARG 111 -7.035 -6.268 -7.946 710 HH12 ARG 111 2HH1 ARG 111 -6.758 -7.969 -7.768 711 HH21 ARG 111 1HH2 ARG 111 -9.352 -8.444 -5.473 712 HH22 ARG 111 2HH2 ARG 111 -8.077 -9.206 -6.361 713 H ILE 112 H ILE 112 -9.422 -0.051 -8.672 714 HA ILE 112 HA ILE 112 -9.771 2.201 -8.768 715 HB ILE 112 HB ILE 112 -10.654 1.757 -5.913 716 HG13 ILE 112 2HG1 ILE 112 -11.730 0.841 -8.385 717 HG21 ILE 112 1HG2 ILE 112 -10.653 4.110 -7.670 718 HG22 ILE 112 2HG2 ILE 112 -12.186 3.779 -6.866 719 HG23 ILE 112 3HG2 ILE 112 -10.721 4.004 -5.911 720 HD11 ILE 112 3HD1 ILE 112 -11.924 -0.379 -6.293 721 HD12 ILE 112 1HD1 ILE 112 -12.975 0.881 -5.646 722 HD13 ILE 112 2HD1 ILE 112 -13.508 -0.095 -7.014 723 HA PRO 113 HA PRO 113 -5.752 3.190 -6.690 724 HB3 PRO 113 2HB PRO 113 -4.571 2.554 -8.555 725 HG3 PRO 113 2HG PRO 113 -5.573 2.519 -10.654 726 HD3 PRO 113 2HD PRO 113 -7.140 1.335 -9.447 727 H SER 114 H SER 114 -4.861 5.257 -6.204 728 HA SER 114 HA SER 114 -6.735 7.307 -5.863 729 HB3 SER 114 2HB SER 114 -3.832 6.978 -5.431 730 HG SER 114 HG SER 114 -3.354 8.931 -6.017 731 H LYS 115 H LYS 115 -4.771 6.489 -8.552 732 HA LYS 115 HA LYS 115 -5.633 8.951 -9.915 733 HB3 LYS 115 2HB LYS 115 -3.202 7.904 -11.059 734 HG3 LYS 115 2HG LYS 115 -2.387 10.237 -10.233 735 HD3 LYS 115 2HD LYS 115 -4.495 9.724 -12.316 736 HE3 LYS 115 2HE LYS 115 -3.071 12.282 -11.638 737 HZ1 LYS 115 3HZ LYS 115 -4.227 12.950 -13.862 738 HZ2 LYS 115 1HZ LYS 115 -4.003 11.318 -14.247 739 HZ3 LYS 115 2HZ LYS 115 -2.670 12.290 -13.872 Start of MODEL 5 1 H1 MET 1 H MET 1 -17.977 12.629 -4.760 2 HA MET 1 HA MET 1 -16.205 13.918 -3.985 3 HB3 MET 1 2HB MET 1 -16.309 15.112 -1.889 4 HG3 MET 1 2HG MET 1 -19.121 15.392 -2.821 5 HE1 MET 1 3HE MET 1 -19.946 18.150 -1.050 6 HE2 MET 1 1HE MET 1 -19.753 18.697 -2.716 7 HE3 MET 1 2HE MET 1 -20.286 17.048 -2.384 8 H ASP 2 H ASP 2 -14.434 12.803 -3.525 9 HA ASP 2 HA ASP 2 -14.214 11.222 -1.131 10 HB3 ASP 2 2HB ASP 2 -13.383 9.277 -2.844 11 H THR 3 H THR 3 -12.574 12.861 -0.868 12 HA THR 3 HA THR 3 -10.376 13.116 -2.637 13 HB THR 3 HB THR 3 -9.247 14.097 -0.509 14 HG1 THR 3 1HG THR 3 -10.585 13.296 1.078 15 HG21 THR 3 3HG2 THR 3 -11.725 15.273 -1.765 16 HG22 THR 3 1HG2 THR 3 -10.051 15.527 -2.256 17 HG23 THR 3 2HG2 THR 3 -10.628 16.177 -0.722 18 H SER 4 H SER 4 -8.190 12.447 -2.309 19 HA SER 4 HA SER 4 -7.904 9.726 -1.676 20 HB3 SER 4 2HB SER 4 -5.476 10.124 -1.938 21 HG SER 4 HG SER 4 -6.286 11.723 -3.963 22 H LYS 5 H LYS 5 -7.889 12.507 0.304 23 HA LYS 5 HA LYS 5 -6.178 11.774 2.378 24 HB3 LYS 5 2HB LYS 5 -7.585 13.250 3.801 25 HG3 LYS 5 2HG LYS 5 -7.601 15.276 2.184 26 HD3 LYS 5 2HD LYS 5 -4.850 14.556 2.153 27 HE3 LYS 5 2HE LYS 5 -6.645 16.367 3.681 28 HZ1 LYS 5 3HZ LYS 5 -5.327 16.593 5.432 29 HZ2 LYS 5 1HZ LYS 5 -3.937 16.700 4.472 30 HZ3 LYS 5 2HZ LYS 5 -4.516 15.187 4.958 31 H PHE 6 H PHE 6 -9.217 10.471 1.449 32 HA PHE 6 HA PHE 6 -10.076 9.423 3.921 33 HB3 PHE 6 2HB PHE 6 -11.094 7.648 2.141 34 HD1 PHE 6 1HD PHE 6 -12.237 8.499 4.450 35 HD2 PHE 6 2HD PHE 6 -12.449 10.443 0.669 36 HE1 PHE 6 1HE PHE 6 -14.317 9.615 5.144 37 HE2 PHE 6 2HE PHE 6 -14.529 11.562 1.357 38 HZ PHE 6 HZ PHE 6 -15.465 11.149 3.597 39 H TRP 7 H TRP 7 -7.895 8.202 1.447 40 HA TRP 7 HA TRP 7 -7.390 5.823 3.104 41 HB3 TRP 7 2HB TRP 7 -8.092 5.315 0.817 42 HD1 TRP 7 HD TRP 7 -4.618 6.998 0.292 43 HE1 TRP 7 1HE TRP 7 -4.667 8.193 -1.988 44 HE3 TRP 7 3HE TRP 7 -9.406 5.878 -1.110 45 HZ2 TRP 7 2HZ TRP 7 -6.493 8.607 -4.100 46 HZ3 TRP 7 3HZ TRP 7 -10.227 6.713 -3.274 47 HH2 TRP 7 HH TRP 7 -8.800 8.048 -4.737 48 H TYR 8 H TYR 8 -6.083 8.792 2.113 49 HA TYR 8 HA TYR 8 -3.330 7.943 2.641 50 HB3 TYR 8 2HB TYR 8 -4.449 10.521 1.525 51 HD1 TYR 8 1HD TYR 8 -3.195 11.998 3.046 52 HD2 TYR 8 2HD TYR 8 -1.221 9.096 0.642 53 HE1 TYR 8 1HE TYR 8 -1.053 13.141 3.438 54 HE2 TYR 8 2HE TYR 8 0.928 10.230 1.029 55 HH TYR 8 HH TYR 8 1.135 13.341 2.444 56 H LYS 9 H LYS 9 -2.795 7.965 4.722 57 HA LYS 9 HA LYS 9 -3.327 10.390 6.273 58 HB3 LYS 9 2HB LYS 9 -3.834 8.912 8.273 59 HG3 LYS 9 2HG LYS 9 -5.711 9.085 5.947 60 HD3 LYS 9 2HD LYS 9 -6.422 8.068 8.696 61 HE3 LYS 9 2HE LYS 9 -8.080 7.910 6.203 62 HZ1 LYS 9 3HZ LYS 9 -9.356 8.347 8.730 63 HZ2 LYS 9 1HZ LYS 9 -8.419 6.938 8.720 64 HZ3 LYS 9 2HZ LYS 9 -9.642 7.148 7.571 65 HA PRO 10 HA PRO 10 1.050 9.580 6.857 66 HB3 PRO 10 2HB PRO 10 1.401 11.772 6.266 67 HG3 PRO 10 2HG PRO 10 -0.222 13.392 6.648 68 HD3 PRO 10 2HD PRO 10 -1.504 11.788 5.601 69 H HIS 11 H HIS 11 -1.176 10.840 9.304 70 HA HIS 11 HA HIS 11 0.518 10.199 11.516 71 HB3 HIS 11 2HB HIS 11 -1.976 10.393 12.606 72 HD1 HIS 11 1HD HIS 11 0.018 11.240 14.208 73 HD2 HIS 11 2HD HIS 11 -1.180 13.857 11.212 74 HE1 HIS 11 1HE HIS 11 0.923 13.488 14.878 75 H LEU 12 H LEU 12 -1.239 8.298 9.438 76 HA LEU 12 HA LEU 12 -2.206 6.350 11.317 77 HB3 LEU 12 2HB LEU 12 -1.782 5.589 8.493 78 HG LEU 12 HG LEU 12 -3.186 4.164 9.908 79 HD11 LEU 12 1HD1 LEU 12 -5.578 5.449 10.182 80 HD12 LEU 12 2HD1 LEU 12 -4.425 6.733 10.545 81 HD13 LEU 12 3HD1 LEU 12 -4.387 5.228 11.465 82 HD21 LEU 12 3HD2 LEU 12 -3.772 5.135 7.355 83 HD22 LEU 12 1HD2 LEU 12 -5.311 5.114 8.214 84 HD23 LEU 12 2HD2 LEU 12 -4.351 3.639 8.090 85 H SER 13 H SER 13 -1.341 4.363 11.813 86 HA SER 13 HA SER 13 1.518 4.073 11.236 87 HB3 SER 13 2HB SER 13 1.583 3.664 13.444 88 HG SER 13 HG SER 13 -0.178 3.871 14.617 89 H ARG 14 H ARG 14 2.366 1.902 10.830 90 HA ARG 14 HA ARG 14 1.199 0.670 8.640 91 HB3 ARG 14 2HB ARG 14 3.524 0.338 9.062 92 HG3 ARG 14 2HG ARG 14 2.855 -1.249 11.526 93 HD3 ARG 14 2HD ARG 14 5.169 -1.020 9.893 94 HE ARG 14 HE ARG 14 6.278 0.611 11.067 95 HH11 ARG 14 1HH1 ARG 14 4.685 -1.544 13.290 96 HH12 ARG 14 2HH1 ARG 14 5.458 -0.882 14.691 97 HH21 ARG 14 1HH2 ARG 14 7.302 1.492 12.905 98 HH22 ARG 14 2HH2 ARG 14 6.946 0.846 14.471 99 H ASP 15 H ASP 15 1.123 -0.346 12.045 100 HA ASP 15 HA ASP 15 -0.339 -2.696 11.727 101 HB3 ASP 15 2HB ASP 15 -0.858 -1.005 14.127 102 H GLN 16 H GLN 16 -1.453 0.635 12.153 103 HA GLN 16 HA GLN 16 -4.198 0.068 12.363 104 HB3 GLN 16 2HB GLN 16 -4.373 2.499 11.425 105 HG3 GLN 16 2HG GLN 16 -3.254 3.393 13.594 106 HE21 GLN 16 1HE2 GLN 16 -4.743 0.962 15.184 107 HE22 GLN 16 2HE2 GLN 16 -6.371 1.542 15.161 108 H ALA 17 H ALA 17 -2.137 0.729 9.567 109 HA ALA 17 HA ALA 17 -4.186 0.819 7.635 110 HB1 ALA 17 1HB ALA 17 -2.490 0.752 6.015 111 HB2 ALA 17 2HB ALA 17 -1.764 1.568 7.400 112 HB3 ALA 17 3HB ALA 17 -1.391 -0.125 7.080 113 H ILE 18 H ILE 18 -2.231 -1.843 8.896 114 HA ILE 18 HA ILE 18 -3.143 -3.813 7.091 115 HB ILE 18 HB ILE 18 -2.105 -4.166 9.906 116 HG13 ILE 18 2HG1 ILE 18 -0.652 -2.989 8.124 117 HG21 ILE 18 1HG2 ILE 18 -2.631 -6.107 7.679 118 HG22 ILE 18 2HG2 ILE 18 -1.471 -6.454 8.959 119 HG23 ILE 18 3HG2 ILE 18 -3.167 -6.179 9.356 120 HD11 ILE 18 3HD1 ILE 18 0.379 -3.855 10.118 121 HD12 ILE 18 1HD1 ILE 18 0.372 -5.487 9.449 122 HD13 ILE 18 2HD1 ILE 18 1.379 -4.238 8.717 123 H ALA 19 H ALA 19 -4.276 -2.793 10.285 124 HA ALA 19 HA ALA 19 -6.262 -4.792 10.562 125 HB1 ALA 19 1HB ALA 19 -6.433 -2.084 11.840 126 HB2 ALA 19 2HB ALA 19 -6.969 -3.642 12.468 127 HB3 ALA 19 3HB ALA 19 -5.247 -3.280 12.365 128 H LEU 20 H LEU 20 -6.257 -1.574 9.142 129 HA LEU 20 HA LEU 20 -9.082 -1.431 8.769 130 HB3 LEU 20 2HB LEU 20 -7.061 0.074 7.142 131 HG LEU 20 HG LEU 20 -9.700 0.379 7.010 132 HD11 LEU 20 1HD1 LEU 20 -10.589 1.183 8.878 133 HD12 LEU 20 2HD1 LEU 20 -9.680 2.667 8.598 134 HD13 LEU 20 3HD1 LEU 20 -9.001 1.396 9.615 135 HD21 LEU 20 3HD2 LEU 20 -9.280 2.719 6.329 136 HD22 LEU 20 1HD2 LEU 20 -8.114 1.583 5.648 137 HD23 LEU 20 2HD2 LEU 20 -7.658 2.600 7.015 138 H LEU 21 H LEU 21 -6.403 -2.675 6.907 139 HA LEU 21 HA LEU 21 -7.872 -2.938 4.459 140 HB3 LEU 21 2HB LEU 21 -5.900 -4.492 3.901 141 HG LEU 21 HG LEU 21 -5.194 -1.653 4.644 142 HD11 LEU 21 1HD1 LEU 21 -3.622 -2.184 2.583 143 HD12 LEU 21 2HD1 LEU 21 -3.775 -3.826 3.204 144 HD13 LEU 21 3HD1 LEU 21 -3.140 -2.549 4.240 145 HD21 LEU 21 3HD2 LEU 21 -5.629 -1.214 2.240 146 HD22 LEU 21 1HD2 LEU 21 -7.074 -1.655 3.151 147 HD23 LEU 21 2HD2 LEU 21 -6.295 -2.842 2.102 148 H LYS 22 H LYS 22 -6.981 -5.095 7.115 149 HA LYS 22 HA LYS 22 -8.107 -7.432 5.929 150 HB3 LYS 22 2HB LYS 22 -6.325 -7.354 7.739 151 HG3 LYS 22 2HG LYS 22 -8.726 -6.978 9.519 152 HD3 LYS 22 2HD LYS 22 -5.861 -7.263 10.374 153 HE3 LYS 22 2HE LYS 22 -8.435 -7.773 11.856 154 HZ1 LYS 22 3HZ LYS 22 -6.120 -7.045 13.359 155 HZ2 LYS 22 1HZ LYS 22 -5.864 -8.461 12.469 156 HZ3 LYS 22 2HZ LYS 22 -7.157 -8.366 13.555 157 H ASP 23 H ASP 23 -9.466 -4.711 7.382 158 HA ASP 23 HA ASP 23 -11.936 -6.171 8.044 159 HB3 ASP 23 2HB ASP 23 -11.368 -3.335 8.871 160 H LYS 24 H LYS 24 -10.659 -4.699 5.509 161 HA LYS 24 HA LYS 24 -13.197 -3.426 4.713 162 HB3 LYS 24 2HB LYS 24 -11.562 -2.229 3.021 163 HG3 LYS 24 2HG LYS 24 -10.961 -0.572 4.992 164 HD3 LYS 24 2HD LYS 24 -13.438 -1.097 3.482 165 HE3 LYS 24 2HE LYS 24 -14.197 1.125 4.847 166 HZ1 LYS 24 3HZ LYS 24 -15.634 -0.549 6.151 167 HZ2 LYS 24 1HZ LYS 24 -14.908 -1.714 5.162 168 HZ3 LYS 24 2HZ LYS 24 -15.807 -0.459 4.470 169 H ASP 25 H ASP 25 -13.262 -3.285 2.181 170 HA ASP 25 HA ASP 25 -13.435 -5.934 1.221 171 HB3 ASP 25 2HB ASP 25 -13.650 -4.612 -1.056 172 HA PRO 26 HA PRO 26 -9.468 -6.778 -0.447 173 HB3 PRO 26 2HB PRO 26 -10.282 -8.838 -1.055 174 HG3 PRO 26 2HG PRO 26 -12.455 -9.085 -1.843 175 HD3 PRO 26 2HD PRO 26 -12.862 -7.864 0.069 176 H GLY 27 H GLY 27 -7.962 -6.113 -1.985 177 HA2 GLY 27 2HA GLY 27 -7.206 -5.064 -3.938 178 HA3 GLY 27 3HA GLY 27 -8.866 -4.643 -4.328 179 H ALA 28 H ALA 28 -8.841 -3.718 -1.307 180 HA ALA 28 HA ALA 28 -8.419 -0.953 -1.944 181 HB1 ALA 28 1HB ALA 28 -10.101 -2.111 -0.266 182 HB2 ALA 28 2HB ALA 28 -8.779 -1.839 0.869 183 HB3 ALA 28 3HB ALA 28 -9.498 -0.477 0.009 184 H PHE 29 H PHE 29 -6.920 0.466 -0.986 185 HA PHE 29 HA PHE 29 -4.623 -0.789 0.347 186 HB3 PHE 29 2HB PHE 29 -4.213 -0.424 -2.127 187 HD1 PHE 29 2HD PHE 29 -6.291 1.178 -2.683 188 HD2 PHE 29 1HD PHE 29 -2.400 2.465 -1.530 189 HE1 PHE 29 2HE PHE 29 -6.698 3.355 -3.753 190 HE2 PHE 29 1HE PHE 29 -2.802 4.645 -2.598 191 HZ PHE 29 HZ PHE 29 -4.952 5.092 -3.712 192 H LEU 30 H LEU 30 -3.122 0.939 1.265 193 HA LEU 30 HA LEU 30 -4.472 3.413 1.997 194 HB3 LEU 30 2HB LEU 30 -3.441 1.487 4.075 195 HG LEU 30 HG LEU 30 -4.378 4.266 4.287 196 HD11 LEU 30 1HD1 LEU 30 -5.872 4.066 5.977 197 HD12 LEU 30 2HD1 LEU 30 -5.172 2.560 6.570 198 HD13 LEU 30 3HD1 LEU 30 -6.224 2.547 5.155 199 HD21 LEU 30 3HD2 LEU 30 -2.223 2.767 5.138 200 HD22 LEU 30 1HD2 LEU 30 -3.179 2.987 6.603 201 HD23 LEU 30 2HD2 LEU 30 -2.643 4.392 5.681 202 H ILE 31 H ILE 31 -3.081 5.054 2.649 203 HA ILE 31 HA ILE 31 -0.217 4.461 2.290 204 HB ILE 31 HB ILE 31 -1.660 7.067 1.785 205 HG13 ILE 31 2HG1 ILE 31 -2.097 5.224 0.135 206 HG21 ILE 31 1HG2 ILE 31 0.498 7.789 0.821 207 HG22 ILE 31 2HG2 ILE 31 0.592 7.464 2.551 208 HG23 ILE 31 3HG2 ILE 31 1.227 6.291 1.398 209 HD11 ILE 31 3HD1 ILE 31 -2.079 7.631 -0.550 210 HD12 ILE 31 1HD1 ILE 31 -0.417 7.389 -1.091 211 HD13 ILE 31 2HD1 ILE 31 -1.730 6.476 -1.837 212 H ARG 32 H ARG 32 1.175 4.969 3.874 213 HA ARG 32 HA ARG 32 0.241 6.695 6.063 214 HB3 ARG 32 2HB ARG 32 0.081 4.230 6.621 215 HG3 ARG 32 2HG ARG 32 2.843 3.975 7.377 216 HD3 ARG 32 2HD ARG 32 1.230 2.262 5.502 217 HE ARG 32 HE ARG 32 3.719 1.859 6.797 218 HH11 ARG 32 1HH1 ARG 32 0.761 0.232 5.947 219 HH12 ARG 32 2HH1 ARG 32 1.489 -1.339 5.885 220 HH21 ARG 32 1HH2 ARG 32 4.690 -0.203 6.718 221 HH22 ARG 32 2HH2 ARG 32 3.724 -1.585 6.325 222 H ASP 33 H ASP 33 1.966 7.641 7.340 223 HA ASP 33 HA ASP 33 4.111 8.562 5.700 224 HB3 ASP 33 2HB ASP 33 3.671 8.939 8.670 225 H SER 34 H SER 34 5.972 7.569 5.345 226 HA SER 34 HA SER 34 6.804 5.391 7.091 227 HB3 SER 34 2HB SER 34 8.443 6.153 4.730 228 HG SER 34 HG SER 34 7.400 3.617 5.043 229 H HIS 35 H HIS 35 7.583 6.426 8.915 230 HA HIS 35 HA HIS 35 9.480 8.563 8.775 231 HB3 HIS 35 2HB HIS 35 9.577 7.220 11.305 232 HD1 HIS 35 1HD HIS 35 6.926 9.266 11.981 233 HD2 HIS 35 2HD HIS 35 10.747 10.089 10.573 234 HE1 HIS 35 1HE HIS 35 7.341 11.682 12.538 235 H SER 36 H SER 36 9.711 5.233 8.353 236 HA SER 36 HA SER 36 12.109 4.525 9.542 237 HB3 SER 36 2HB SER 36 12.222 3.140 7.189 238 HG SER 36 HG SER 36 11.489 1.548 8.412 239 H PHE 37 H PHE 37 11.818 5.330 6.082 240 HA PHE 37 HA PHE 37 14.504 6.531 6.240 241 HB3 PHE 37 2HB PHE 37 13.975 5.955 3.551 242 HD1 PHE 37 1HD PHE 37 16.363 6.775 4.183 243 HD2 PHE 37 2HD PHE 37 14.859 2.885 5.032 244 HE1 PHE 37 1HE PHE 37 18.666 5.930 4.375 245 HE2 PHE 37 2HE PHE 37 17.159 2.033 5.225 246 HZ PHE 37 HZ PHE 37 19.066 3.557 4.898 247 H GLN 38 H GLN 38 14.893 8.466 5.173 248 HA GLN 38 HA GLN 38 12.784 10.311 5.081 249 HB3 GLN 38 2HB GLN 38 14.638 11.561 3.590 250 HG3 GLN 38 2HG GLN 38 15.004 11.040 6.531 251 HE21 GLN 38 1HE2 GLN 38 17.316 11.205 5.816 252 HE22 GLN 38 2HE2 GLN 38 17.992 12.791 5.705 253 H GLY 39 H GLY 39 11.564 11.154 3.441 254 HA2 GLY 39 2HA GLY 39 10.495 11.248 1.411 255 HA3 GLY 39 3HA GLY 39 12.034 10.796 0.692 256 H ALA 40 H ALA 40 10.069 8.930 2.968 257 HA ALA 40 HA ALA 40 9.573 6.967 0.829 258 HB1 ALA 40 1HB ALA 40 10.006 5.150 2.360 259 HB2 ALA 40 2HB ALA 40 11.412 6.213 2.291 260 HB3 ALA 40 3HB ALA 40 10.318 6.289 3.671 261 H TYR 41 H TYR 41 7.643 5.802 0.962 262 HA TYR 41 HA TYR 41 5.744 6.663 3.034 263 HB3 TYR 41 2HB TYR 41 4.061 6.383 0.963 264 HD1 TYR 41 1HD TYR 41 6.531 9.100 0.575 265 HD2 TYR 41 2HD TYR 41 2.818 7.924 2.287 266 HE1 TYR 41 1HE TYR 41 6.055 11.446 1.139 267 HE2 TYR 41 2HE TYR 41 2.330 10.266 2.855 268 HH TYR 41 HH TYR 41 4.365 12.888 1.745 269 H GLY 42 H GLY 42 4.408 5.103 3.819 270 HA2 GLY 42 2HA GLY 42 5.021 2.367 3.034 271 HA3 GLY 42 3HA GLY 42 4.092 2.866 4.440 272 H LEU 43 H LEU 43 3.886 1.359 1.526 273 HA LEU 43 HA LEU 43 1.072 2.128 1.131 274 HB3 LEU 43 2HB LEU 43 3.063 0.871 -0.748 275 HG LEU 43 HG LEU 43 0.507 0.222 -1.024 276 HD11 LEU 43 1HD1 LEU 43 -0.372 2.459 -0.998 277 HD12 LEU 43 2HD1 LEU 43 -0.573 1.780 -2.613 278 HD13 LEU 43 3HD1 LEU 43 0.714 2.943 -2.301 279 HD21 LEU 43 3HD2 LEU 43 0.944 0.319 -3.551 280 HD22 LEU 43 1HD2 LEU 43 2.056 -0.617 -2.553 281 HD23 LEU 43 2HD2 LEU 43 2.516 0.990 -3.114 282 H ALA 44 H ALA 44 -0.418 0.738 1.783 283 HA ALA 44 HA ALA 44 0.327 -2.104 2.046 284 HB1 ALA 44 1HB ALA 44 -1.946 -0.930 3.580 285 HB2 ALA 44 2HB ALA 44 -0.898 -2.290 3.982 286 HB3 ALA 44 3HB ALA 44 -0.294 -0.638 4.123 287 H LEU 45 H LEU 45 -0.995 -3.649 1.192 288 HA LEU 45 HA LEU 45 -3.493 -2.782 -0.081 289 HB3 LEU 45 2HB LEU 45 -1.291 -4.383 -1.370 290 HG LEU 45 HG LEU 45 -3.699 -5.134 -1.967 291 HD11 LEU 45 1HD1 LEU 45 -4.433 -2.704 -2.191 292 HD12 LEU 45 2HD1 LEU 45 -4.919 -3.816 -3.471 293 HD13 LEU 45 3HD1 LEU 45 -3.572 -2.708 -3.730 294 HD21 LEU 45 3HD2 LEU 45 -1.987 -5.991 -3.278 295 HD22 LEU 45 1HD2 LEU 45 -1.503 -4.400 -3.864 296 HD23 LEU 45 2HD2 LEU 45 -2.992 -5.140 -4.453 297 H LYS 46 H LYS 46 -5.131 -4.269 -0.071 298 HA LYS 46 HA LYS 46 -4.628 -6.701 1.495 299 HB3 LYS 46 2HB LYS 46 -7.389 -5.767 0.860 300 HG3 LYS 46 2HG LYS 46 -6.873 -6.288 3.622 301 HD3 LYS 46 2HD LYS 46 -8.450 -7.748 1.502 302 HE3 LYS 46 2HE LYS 46 -7.866 -8.456 4.221 303 HZ1 LYS 46 3HZ LYS 46 -9.930 -8.538 5.198 304 HZ2 LYS 46 1HZ LYS 46 -10.766 -8.356 3.739 305 HZ3 LYS 46 2HZ LYS 46 -9.990 -7.027 4.440 306 H VAL 47 H VAL 47 -4.985 -8.694 0.684 307 HA VAL 47 HA VAL 47 -6.288 -8.925 -1.940 308 HB VAL 47 HB VAL 47 -4.567 -10.708 -2.502 309 HG11 VAL 47 1HG1 VAL 47 -2.916 -8.344 -2.477 310 HG12 VAL 47 2HG1 VAL 47 -3.695 -9.156 -3.836 311 HG13 VAL 47 3HG1 VAL 47 -4.580 -7.948 -2.903 312 HG21 VAL 47 3HG2 VAL 47 -2.466 -10.701 -1.386 313 HG22 VAL 47 1HG2 VAL 47 -2.914 -9.296 -0.418 314 HG23 VAL 47 2HG2 VAL 47 -3.708 -10.846 -0.142 315 H ALA 48 H ALA 48 -7.258 -10.945 -2.372 316 HA ALA 48 HA ALA 48 -7.943 -12.436 0.052 317 HB1 ALA 48 1HB ALA 48 -9.782 -11.529 -1.300 318 HB2 ALA 48 2HB ALA 48 -9.245 -12.504 -2.668 319 HB3 ALA 48 3HB ALA 48 -9.836 -13.289 -1.204 320 H THR 49 H THR 49 -5.376 -12.847 -1.144 321 HA THR 49 HA THR 49 -5.446 -15.707 -1.378 322 HB THR 49 HB THR 49 -3.951 -15.245 -3.631 323 HG1 THR 49 1HG THR 49 -6.296 -13.666 -3.917 324 HG21 THR 49 3HG2 THR 49 -5.944 -16.864 -3.000 325 HG22 THR 49 1HG2 THR 49 -5.499 -16.573 -4.681 326 HG23 THR 49 2HG2 THR 49 -6.870 -15.721 -3.972 327 HA PRO 50 HA PRO 50 -1.385 -15.366 0.249 328 HB3 PRO 50 2HB PRO 50 -1.374 -17.656 0.436 329 HG3 PRO 50 2HG PRO 50 -2.340 -18.998 -1.199 330 HD3 PRO 50 2HD PRO 50 -4.066 -17.514 -0.832 331 HA PRO 51 HA PRO 51 1.433 -13.401 -2.496 332 HB3 PRO 51 2HB PRO 51 2.805 -13.036 -0.690 333 HG3 PRO 51 2HG PRO 51 3.064 -14.648 0.965 334 HD3 PRO 51 2HD PRO 51 0.763 -14.570 0.844 335 HA PRO 52 HA PRO 52 2.805 -16.001 -5.767 336 HB3 PRO 52 2HB PRO 52 3.437 -14.103 -6.897 337 HG3 PRO 52 2HG PRO 52 4.408 -12.310 -5.779 338 HD3 PRO 52 2HD PRO 52 2.568 -12.662 -4.437 339 H SER 53 H SER 53 4.853 -15.488 -3.049 340 HA SER 53 HA SER 53 6.841 -17.429 -3.885 341 HB3 SER 53 2HB SER 53 7.589 -17.001 -1.398 342 HG SER 53 HG SER 53 7.731 -14.789 -3.147 343 H ALA 54 H ALA 54 4.070 -17.228 -1.749 344 HA ALA 54 HA ALA 54 2.962 -18.779 -0.499 345 HB1 ALA 54 1HB ALA 54 2.550 -20.862 -1.530 346 HB2 ALA 54 2HB ALA 54 2.784 -19.709 -2.843 347 HB3 ALA 54 3HB ALA 54 4.082 -20.819 -2.403 348 H GLN 55 H GLN 55 4.625 -18.291 1.184 349 HA GLN 55 HA GLN 55 6.278 -20.662 1.756 350 HB3 GLN 55 2HB GLN 55 7.759 -18.843 1.502 351 HG3 GLN 55 2HG GLN 55 5.594 -17.259 2.610 352 HE21 GLN 55 1HE2 GLN 55 5.728 -16.922 4.775 353 HE22 GLN 55 2HE2 GLN 55 7.039 -16.098 5.541 354 HA PRO 56 HA PRO 56 2.915 -20.452 4.957 355 HB3 PRO 56 2HB PRO 56 1.595 -21.920 3.783 356 HG3 PRO 56 2HG PRO 56 2.516 -23.376 2.220 357 HD3 PRO 56 2HD PRO 56 3.468 -21.395 1.525 358 H TRP 57 H TRP 57 2.932 -21.335 7.078 359 HA TRP 57 HA TRP 57 5.165 -23.047 7.828 360 HB3 TRP 57 2HB TRP 57 4.790 -20.543 9.425 361 HD1 TRP 57 HD TRP 57 7.696 -22.668 7.939 362 HE1 TRP 57 1HE TRP 57 9.356 -23.161 9.844 363 HE3 TRP 57 3HE TRP 57 5.269 -20.300 11.765 364 HZ2 TRP 57 2HZ TRP 57 9.603 -22.620 12.602 365 HZ3 TRP 57 3HZ TRP 57 6.284 -20.335 14.007 366 HH2 TRP 57 HH TRP 57 8.406 -21.471 14.414 367 H LYS 58 H LYS 58 2.577 -23.818 7.803 368 HA LYS 58 HA LYS 58 0.938 -24.760 9.069 369 HB3 LYS 58 2HB LYS 58 2.317 -24.509 11.645 370 HG3 LYS 58 2HG LYS 58 1.614 -26.936 10.007 371 HD3 LYS 58 2HD LYS 58 2.371 -26.556 12.901 372 HE3 LYS 58 2HE LYS 58 2.119 -29.191 12.702 373 HZ1 LYS 58 3HZ LYS 58 0.005 -27.217 13.323 374 HZ2 LYS 58 1HZ LYS 58 0.979 -28.087 14.399 375 HZ3 LYS 58 2HZ LYS 58 -0.239 -28.878 13.532 376 H GLY 59 H GLY 59 0.999 -21.866 8.749 377 HA2 GLY 59 2HA GLY 59 -0.974 -21.223 10.756 378 HA3 GLY 59 3HA GLY 59 0.510 -20.292 10.902 379 H ASP 60 H ASP 60 0.978 -18.702 9.410 380 HA ASP 60 HA ASP 60 0.563 -17.079 7.871 381 HB3 ASP 60 2HB ASP 60 -0.342 -17.699 5.776 382 HA PRO 61 HA PRO 61 -3.417 -16.115 10.042 383 HB3 PRO 61 2HB PRO 61 -2.291 -15.328 11.883 384 HG3 PRO 61 2HG PRO 61 -0.089 -14.598 11.721 385 HD3 PRO 61 2HD PRO 61 0.091 -16.639 10.665 386 H VAL 62 H VAL 62 -4.355 -13.653 10.083 387 HA VAL 62 HA VAL 62 -5.125 -13.082 7.476 388 HB VAL 62 HB VAL 62 -6.316 -12.316 9.530 389 HG11 VAL 62 1HG1 VAL 62 -4.170 -10.197 9.581 390 HG12 VAL 62 2HG1 VAL 62 -5.614 -10.229 10.595 391 HG13 VAL 62 3HG1 VAL 62 -4.385 -11.483 10.768 392 HG21 VAL 62 3HG2 VAL 62 -6.036 -9.778 8.145 393 HG22 VAL 62 1HG2 VAL 62 -6.176 -11.140 7.035 394 HG23 VAL 62 2HG2 VAL 62 -7.423 -10.861 8.249 395 H GLU 63 H GLU 63 -2.289 -12.126 9.208 396 HA GLU 63 HA GLU 63 -1.573 -9.803 7.835 397 HB3 GLU 63 2HB GLU 63 0.628 -11.647 8.529 398 HG3 GLU 63 2HG GLU 63 -0.047 -8.790 8.920 399 H GLN 64 H GLN 64 -1.417 -13.147 6.894 400 HA GLN 64 HA GLN 64 0.438 -12.876 4.771 401 HB3 GLN 64 2HB GLN 64 -1.375 -14.959 4.150 402 HG3 GLN 64 2HG GLN 64 0.736 -16.007 5.701 403 HE21 GLN 64 1HE2 GLN 64 -1.124 -17.057 4.050 404 HE22 GLN 64 2HE2 GLN 64 -0.383 -17.656 2.609 405 H LEU 65 H LEU 65 -2.936 -12.169 5.081 406 HA LEU 65 HA LEU 65 -3.347 -11.997 2.209 407 HB3 LEU 65 2HB LEU 65 -5.637 -11.282 2.844 408 HG LEU 65 HG LEU 65 -4.801 -13.808 4.267 409 HD11 LEU 65 1HD1 LEU 65 -7.463 -12.612 3.602 410 HD12 LEU 65 2HD1 LEU 65 -6.906 -13.327 5.116 411 HD13 LEU 65 3HD1 LEU 65 -7.262 -14.360 3.731 412 HD21 LEU 65 3HD2 LEU 65 -6.148 -14.437 1.929 413 HD22 LEU 65 1HD2 LEU 65 -4.413 -14.574 2.214 414 HD23 LEU 65 2HD2 LEU 65 -5.071 -13.118 1.467 415 H VAL 66 H VAL 66 -1.687 -10.143 4.173 416 HA VAL 66 HA VAL 66 -2.556 -7.653 2.864 417 HB VAL 66 HB VAL 66 -1.510 -7.839 5.692 418 HG11 VAL 66 1HG1 VAL 66 -2.762 -5.396 5.309 419 HG12 VAL 66 2HG1 VAL 66 -1.022 -5.687 5.376 420 HG13 VAL 66 3HG1 VAL 66 -1.853 -5.653 3.821 421 HG21 VAL 66 3HG2 VAL 66 -3.626 -8.595 6.042 422 HG22 VAL 66 1HG2 VAL 66 -3.973 -6.866 6.005 423 HG23 VAL 66 2HG2 VAL 66 -4.254 -7.853 4.570 424 H ARG 67 H ARG 67 -1.009 -6.808 1.645 425 HA ARG 67 HA ARG 67 1.793 -7.466 2.274 426 HB3 ARG 67 2HB ARG 67 1.428 -6.468 -0.405 427 HG3 ARG 67 2HG ARG 67 3.236 -8.025 0.601 428 HD3 ARG 67 2HD ARG 67 2.391 -10.402 -0.431 429 HE ARG 67 HE ARG 67 1.879 -10.146 2.383 430 HH11 ARG 67 1HH1 ARG 67 4.343 -10.274 -0.074 431 HH12 ARG 67 2HH1 ARG 67 5.576 -10.831 1.009 432 HH21 ARG 67 1HH2 ARG 67 3.494 -10.878 3.817 433 HH22 ARG 67 2HH2 ARG 67 5.092 -11.175 3.221 434 H HIS 68 H HIS 68 2.885 -5.827 3.113 435 HA HIS 68 HA HIS 68 2.238 -3.096 2.208 436 HB3 HIS 68 2HB HIS 68 1.551 -3.331 4.510 437 HD1 HIS 68 1HD HIS 68 1.748 -5.642 5.630 438 HD2 HIS 68 2HD HIS 68 5.283 -3.458 5.631 439 HE1 HIS 68 1HE HIS 68 3.278 -6.840 7.226 440 H PHE 69 H PHE 69 3.836 -2.043 1.236 441 HA PHE 69 HA PHE 69 6.610 -2.829 1.815 442 HB3 PHE 69 2HB PHE 69 7.169 -2.595 -0.563 443 HD1 PHE 69 2HD PHE 69 7.606 -4.879 0.605 444 HD2 PHE 69 1HD PHE 69 4.067 -3.932 -1.563 445 HE1 PHE 69 2HE PHE 69 7.153 -7.278 0.304 446 HE2 PHE 69 1HE PHE 69 3.608 -6.330 -1.867 447 HZ PHE 69 HZ PHE 69 5.153 -8.006 -0.935 448 H LEU 70 H LEU 70 8.185 -1.185 1.525 449 HA LEU 70 HA LEU 70 7.071 1.507 1.817 450 HB3 LEU 70 2HB LEU 70 8.574 0.645 3.571 451 HG LEU 70 HG LEU 70 10.228 -0.309 1.588 452 HD11 LEU 70 1HD1 LEU 70 11.684 1.979 2.883 453 HD12 LEU 70 2HD1 LEU 70 10.962 2.096 1.280 454 HD13 LEU 70 3HD1 LEU 70 12.238 0.919 1.588 455 HD21 LEU 70 3HD2 LEU 70 10.520 0.162 4.526 456 HD22 LEU 70 1HD2 LEU 70 11.857 -0.521 3.602 457 HD23 LEU 70 2HD2 LEU 70 10.303 -1.353 3.648 458 H ILE 71 H ILE 71 7.197 2.931 0.219 459 HA ILE 71 HA ILE 71 8.949 2.339 -2.058 460 HB ILE 71 HB ILE 71 6.787 4.432 -2.001 461 HG13 ILE 71 2HG1 ILE 71 6.564 1.487 -2.160 462 HG21 ILE 71 1HG2 ILE 71 7.024 4.545 -4.274 463 HG22 ILE 71 2HG2 ILE 71 8.678 4.152 -3.809 464 HG23 ILE 71 3HG2 ILE 71 7.606 2.886 -4.407 465 HD11 ILE 71 3HD1 ILE 71 5.229 3.604 -0.841 466 HD12 ILE 71 1HD1 ILE 71 4.069 2.797 -1.895 467 HD13 ILE 71 2HD1 ILE 71 4.962 1.867 -0.691 468 H GLU 72 H GLU 72 10.567 3.665 -2.676 469 HA GLU 72 HA GLU 72 11.005 6.084 -1.053 470 HB3 GLU 72 2HB GLU 72 13.006 4.259 -2.394 471 HG3 GLU 72 2HG GLU 72 13.449 6.810 -0.867 472 H THR 73 H THR 73 11.503 7.999 -2.041 473 HA THR 73 HA THR 73 11.306 8.025 -4.982 474 HB THR 73 HB THR 73 9.382 9.132 -4.137 475 HG1 THR 73 1HG THR 73 9.683 11.144 -5.040 476 HG21 THR 73 3HG2 THR 73 10.170 11.307 -2.640 477 HG22 THR 73 1HG2 THR 73 11.219 10.017 -2.051 478 HG23 THR 73 2HG2 THR 73 9.467 9.819 -2.005 479 H GLY 74 H GLY 74 13.065 8.669 -6.033 480 HA2 GLY 74 2HA GLY 74 14.917 10.514 -4.659 481 HA3 GLY 74 3HA GLY 74 15.508 9.103 -5.525 482 HA PRO 75 HA PRO 75 15.569 12.768 -8.387 483 HB3 PRO 75 2HB PRO 75 17.715 13.328 -7.784 484 HG3 PRO 75 2HG PRO 75 19.145 11.755 -6.843 485 HD3 PRO 75 2HD PRO 75 17.290 11.451 -5.510 486 H LYS 76 H LYS 76 15.832 9.406 -8.563 487 HA LYS 76 HA LYS 76 15.822 9.444 -11.507 488 HB3 LYS 76 2HB LYS 76 16.243 6.928 -11.200 489 HG3 LYS 76 2HG LYS 76 18.603 8.145 -9.998 490 HD3 LYS 76 2HD LYS 76 18.192 7.048 -12.772 491 HE3 LYS 76 2HE LYS 76 20.342 8.225 -12.136 492 HZ1 LYS 76 3HZ LYS 76 20.266 6.175 -10.095 493 HZ2 LYS 76 1HZ LYS 76 21.090 7.653 -10.119 494 HZ3 LYS 76 2HZ LYS 76 21.745 6.308 -10.907 495 H GLY 77 H GLY 77 13.710 9.501 -9.054 496 HA2 GLY 77 2HA GLY 77 11.349 9.324 -9.761 497 HA3 GLY 77 3HA GLY 77 11.780 7.783 -10.489 498 H VAL 78 H VAL 78 9.724 7.544 -8.946 499 HA VAL 78 HA VAL 78 10.707 6.681 -6.306 500 HB VAL 78 HB VAL 78 8.960 8.393 -6.178 501 HG11 VAL 78 1HG1 VAL 78 7.145 6.404 -7.531 502 HG12 VAL 78 2HG1 VAL 78 6.740 8.038 -7.004 503 HG13 VAL 78 3HG1 VAL 78 7.868 7.795 -8.338 504 HG21 VAL 78 3HG2 VAL 78 8.445 7.358 -4.280 505 HG22 VAL 78 1HG2 VAL 78 7.227 6.430 -5.156 506 HG23 VAL 78 2HG2 VAL 78 8.862 5.792 -4.977 507 H LYS 79 H LYS 79 10.699 4.579 -5.840 508 HA LYS 79 HA LYS 79 8.862 2.780 -7.223 509 HB3 LYS 79 2HB LYS 79 10.987 2.838 -8.537 510 HG3 LYS 79 2HG LYS 79 12.333 2.917 -6.217 511 HD3 LYS 79 2HD LYS 79 12.751 0.087 -7.119 512 HE3 LYS 79 2HE LYS 79 13.168 1.022 -4.341 513 HZ1 LYS 79 3HZ LYS 79 14.728 -0.605 -4.310 514 HZ2 LYS 79 1HZ LYS 79 15.177 -0.387 -5.927 515 HZ3 LYS 79 2HZ LYS 79 13.760 -1.229 -5.550 516 H ILE 80 H ILE 80 8.742 0.648 -6.213 517 HA ILE 80 HA ILE 80 8.743 0.855 -3.364 518 HB ILE 80 HB ILE 80 8.238 -1.554 -5.115 519 HG13 ILE 80 2HG1 ILE 80 6.719 0.460 -5.403 520 HG21 ILE 80 1HG2 ILE 80 6.853 -1.783 -2.696 521 HG22 ILE 80 2HG2 ILE 80 8.242 -2.728 -3.230 522 HG23 ILE 80 3HG2 ILE 80 8.485 -1.273 -2.265 523 HD11 ILE 80 3HD1 ILE 80 5.674 -1.454 -6.135 524 HD12 ILE 80 1HD1 ILE 80 5.689 -2.201 -4.538 525 HD13 ILE 80 2HD1 ILE 80 4.570 -0.883 -4.885 526 H LYS 81 H LYS 81 10.447 0.572 -2.104 527 HA LYS 81 HA LYS 81 12.909 -0.486 -2.982 528 HB3 LYS 81 2HB LYS 81 12.196 -0.405 -0.076 529 HG3 LYS 81 2HG LYS 81 14.558 -0.813 -1.213 530 HD3 LYS 81 2HD LYS 81 14.418 2.185 -0.887 531 HE3 LYS 81 2HE LYS 81 16.573 0.560 -0.476 532 HZ1 LYS 81 3HZ LYS 81 17.336 1.687 -3.020 533 HZ2 LYS 81 1HZ LYS 81 16.274 0.375 -3.142 534 HZ3 LYS 81 2HZ LYS 81 17.746 0.199 -2.329 535 H GLY 82 H GLY 82 13.724 -2.497 -2.980 536 HA2 GLY 82 2HA GLY 82 13.932 -4.656 -1.847 537 HA3 GLY 82 3HA GLY 82 12.199 -4.592 -1.562 538 H CYS 83 H CYS 83 12.070 -3.445 -4.442 539 HA CYS 83 HA CYS 83 11.769 -6.061 -5.692 540 HB3 CYS 83 2HB CYS 83 10.879 -3.293 -6.510 541 HG CYS 83 HG CYS 83 9.654 -3.993 -8.776 542 HA PRO 84 HA PRO 84 15.573 -5.682 -7.909 543 HB3 PRO 84 2HB PRO 84 15.552 -7.977 -8.014 544 HG3 PRO 84 2HG PRO 84 13.550 -9.152 -8.156 545 HD3 PRO 84 2HD PRO 84 13.073 -7.770 -6.374 546 H SER 85 H SER 85 12.508 -5.914 -9.686 547 HA SER 85 HA SER 85 13.324 -5.115 -12.194 548 HB3 SER 85 2HB SER 85 10.778 -3.919 -11.287 549 HG SER 85 HG SER 85 10.918 -5.949 -13.173 550 H GLU 86 H GLU 86 12.047 -2.966 -9.646 551 HA GLU 86 HA GLU 86 12.379 -0.758 -9.210 552 HB3 GLU 86 2HB GLU 86 14.682 0.075 -10.370 553 HG3 GLU 86 2HG GLU 86 14.060 -1.259 -7.831 554 HA PRO 87 HA PRO 87 10.768 0.287 -13.435 555 HB3 PRO 87 2HB PRO 87 8.662 -0.455 -12.890 556 HG3 PRO 87 2HG PRO 87 7.976 -0.595 -10.673 557 HD3 PRO 87 2HD PRO 87 9.993 -1.704 -10.534 558 H TYR 88 H TYR 88 10.488 2.104 -10.393 559 HA TYR 88 HA TYR 88 10.814 4.297 -9.882 560 HB3 TYR 88 2HB TYR 88 12.444 5.517 -11.504 561 HD1 TYR 88 2HD TYR 88 13.073 5.836 -9.100 562 HD2 TYR 88 1HD TYR 88 13.971 2.257 -11.220 563 HE1 TYR 88 2HE TYR 88 14.741 5.249 -7.391 564 HE2 TYR 88 1HE TYR 88 15.641 1.660 -9.515 565 HH TYR 88 HH TYR 88 17.002 2.719 -7.821 566 H PHE 89 H PHE 89 8.617 4.818 -10.250 567 HA PHE 89 HA PHE 89 7.895 5.909 -12.853 568 HB3 PHE 89 2HB PHE 89 5.629 6.034 -11.969 569 HD1 PHE 89 1HD PHE 89 5.805 4.309 -13.779 570 HD2 PHE 89 2HD PHE 89 6.504 3.413 -9.677 571 HE1 PHE 89 1HE PHE 89 5.484 1.916 -14.251 572 HE2 PHE 89 2HE PHE 89 6.186 1.018 -10.143 573 HZ PHE 89 HZ PHE 89 5.676 0.267 -12.432 574 H GLY 90 H GLY 90 6.138 7.889 -12.256 575 HA2 GLY 90 2HA GLY 90 7.860 10.098 -11.777 576 HA3 GLY 90 3HA GLY 90 6.114 10.171 -11.969 577 H SER 91 H SER 91 4.825 9.475 -10.042 578 HA SER 91 HA SER 91 6.218 10.013 -7.514 579 HB3 SER 91 2HB SER 91 3.511 11.148 -7.658 580 HG SER 91 HG SER 91 5.941 12.431 -6.998 581 H LEU 92 H LEU 92 4.469 9.704 -5.653 582 HA LEU 92 HA LEU 92 3.894 7.006 -5.495 583 HB3 LEU 92 2HB LEU 92 2.097 7.917 -3.767 584 HG LEU 92 HG LEU 92 5.060 8.276 -3.325 585 HD11 LEU 92 1HD1 LEU 92 3.562 7.745 -0.952 586 HD12 LEU 92 2HD1 LEU 92 2.907 9.175 -1.751 587 HD13 LEU 92 3HD1 LEU 92 4.616 9.110 -1.322 588 HD21 LEU 92 3HD2 LEU 92 4.420 6.118 -1.911 589 HD22 LEU 92 1HD2 LEU 92 4.890 6.026 -3.608 590 HD23 LEU 92 2HD2 LEU 92 3.184 5.984 -3.163 591 H SER 93 H SER 93 1.896 9.639 -6.692 592 HA SER 93 HA SER 93 -0.503 8.128 -6.915 593 HB3 SER 93 2HB SER 93 0.432 10.730 -8.117 594 HG SER 93 HG SER 93 -2.217 9.818 -8.356 595 H ALA 94 H ALA 94 2.222 8.727 -9.042 596 HA ALA 94 HA ALA 94 1.061 7.709 -11.414 597 HB1 ALA 94 1HB ALA 94 3.096 9.149 -11.302 598 HB2 ALA 94 2HB ALA 94 3.991 7.748 -10.712 599 HB3 ALA 94 3HB ALA 94 3.272 7.721 -12.322 600 H LEU 95 H LEU 95 3.109 6.223 -8.922 601 HA LEU 95 HA LEU 95 3.166 3.664 -10.180 602 HB3 LEU 95 2HB LEU 95 4.950 4.229 -8.720 603 HG LEU 95 HG LEU 95 3.432 5.690 -7.146 604 HD11 LEU 95 1HD1 LEU 95 3.012 2.948 -6.193 605 HD12 LEU 95 2HD1 LEU 95 2.044 4.401 -5.946 606 HD13 LEU 95 3HD1 LEU 95 3.466 4.108 -4.944 607 HD21 LEU 95 3HD2 LEU 95 6.038 4.549 -6.974 608 HD22 LEU 95 1HD2 LEU 95 5.341 4.625 -5.356 609 HD23 LEU 95 2HD2 LEU 95 5.457 6.088 -6.335 610 H VAL 96 H VAL 96 1.071 5.235 -7.874 611 HA VAL 96 HA VAL 96 -0.254 2.892 -6.953 612 HB VAL 96 HB VAL 96 -0.831 5.822 -6.808 613 HG11 VAL 96 1HG1 VAL 96 -2.787 3.609 -6.241 614 HG12 VAL 96 2HG1 VAL 96 -2.914 5.207 -5.504 615 HG13 VAL 96 3HG1 VAL 96 -3.010 5.033 -7.257 616 HG21 VAL 96 3HG2 VAL 96 0.133 5.557 -4.825 617 HG22 VAL 96 1HG2 VAL 96 -1.141 4.431 -4.357 618 HG23 VAL 96 2HG2 VAL 96 0.324 3.832 -5.137 619 H SER 97 H SER 97 -0.931 5.251 -9.503 620 HA SER 97 HA SER 97 -3.438 4.110 -10.237 621 HB3 SER 97 2HB SER 97 -1.582 5.995 -11.707 622 HG SER 97 HG SER 97 -4.290 5.390 -12.300 623 H GLN 98 H GLN 98 -0.126 3.774 -11.408 624 HA GLN 98 HA GLN 98 -0.787 2.135 -13.638 625 HB3 GLN 98 2HB GLN 98 1.705 1.558 -13.516 626 HG3 GLN 98 2HG GLN 98 2.447 3.911 -14.047 627 HE21 GLN 98 1HE2 GLN 98 2.853 2.485 -15.796 628 HE22 GLN 98 2HE2 GLN 98 1.754 2.382 -17.124 629 H HIS 99 H HIS 99 -0.127 1.532 -10.270 630 HA HIS 99 HA HIS 99 0.435 -1.228 -10.443 631 HB3 HIS 99 2HB HIS 99 -0.597 -1.066 -7.980 632 HD1 HIS 99 1HD HIS 99 1.524 0.890 -6.579 633 HD2 HIS 99 2HD HIS 99 2.294 -1.913 -9.548 634 HE1 HIS 99 1HE HIS 99 3.966 0.331 -6.359 635 H SER 100 H SER 100 -2.431 0.504 -10.943 636 HA SER 100 HA SER 100 -4.165 -1.743 -10.263 637 HB3 SER 100 2HB SER 100 -4.766 1.060 -11.229 638 HG SER 100 HG SER 100 -6.568 -1.002 -10.480 639 H ILE 101 H ILE 101 -2.227 -1.111 -12.744 640 HA ILE 101 HA ILE 101 -4.045 -2.373 -14.681 641 HB ILE 101 HB ILE 101 -2.039 -0.207 -15.319 642 HG13 ILE 101 2HG1 ILE 101 -4.593 0.080 -14.322 643 HG21 ILE 101 1HG2 ILE 101 -1.997 -1.540 -17.200 644 HG22 ILE 101 2HG2 ILE 101 -3.680 -2.033 -17.017 645 HG23 ILE 101 3HG2 ILE 101 -3.293 -0.411 -17.591 646 HD11 ILE 101 3HD1 ILE 101 -4.072 2.254 -16.106 647 HD12 ILE 101 1HD1 ILE 101 -4.017 2.212 -14.344 648 HD13 ILE 101 2HD1 ILE 101 -2.588 1.775 -15.282 649 H SER 102 H SER 102 -0.728 -1.819 -13.626 650 HA SER 102 HA SER 102 -0.011 -4.468 -14.622 651 HB3 SER 102 2HB SER 102 1.375 -1.906 -15.410 652 HG SER 102 HG SER 102 2.433 -4.408 -16.072 653 HA PRO 103 HA PRO 103 1.566 -3.587 -10.361 654 HB3 PRO 103 2HB PRO 103 -0.260 -4.616 -9.420 655 HG3 PRO 103 2HG PRO 103 -1.503 -6.178 -10.613 656 HD3 PRO 103 2HD PRO 103 -1.429 -4.468 -12.156 657 H ILE 104 H ILE 104 3.632 -3.981 -9.875 658 HA ILE 104 HA ILE 104 4.995 -6.188 -11.240 659 HB ILE 104 HB ILE 104 6.161 -3.794 -9.813 660 HG13 ILE 104 2HG1 ILE 104 4.892 -3.467 -12.031 661 HG21 ILE 104 1HG2 ILE 104 7.663 -5.686 -9.701 662 HG22 ILE 104 2HG2 ILE 104 7.487 -5.962 -11.433 663 HG23 ILE 104 3HG2 ILE 104 8.283 -4.500 -10.849 664 HD11 ILE 104 3HD1 ILE 104 6.153 -1.624 -11.631 665 HD12 ILE 104 1HD1 ILE 104 7.646 -2.544 -11.452 666 HD13 ILE 104 2HD1 ILE 104 6.986 -2.239 -13.059 667 H SER 105 H SER 105 5.574 -4.566 -8.124 668 HA SER 105 HA SER 105 6.461 -7.019 -6.928 669 HB3 SER 105 2HB SER 105 5.901 -4.347 -5.617 670 HG SER 105 HG SER 105 7.859 -6.049 -4.666 671 H LEU 106 H LEU 106 3.485 -5.257 -7.097 672 HA LEU 106 HA LEU 106 2.248 -6.466 -4.821 673 HB3 LEU 106 2HB LEU 106 0.129 -5.617 -5.986 674 HG LEU 106 HG LEU 106 2.240 -3.532 -5.431 675 HD11 LEU 106 1HD1 LEU 106 0.664 -1.952 -5.633 676 HD12 LEU 106 2HD1 LEU 106 -0.587 -2.961 -4.909 677 HD13 LEU 106 3HD1 LEU 106 -0.178 -3.150 -6.614 678 HD21 LEU 106 3HD2 LEU 106 0.980 -5.403 -3.700 679 HD22 LEU 106 1HD2 LEU 106 0.340 -3.798 -3.343 680 HD23 LEU 106 2HD2 LEU 106 2.079 -4.085 -3.289 681 HA PRO 107 HA PRO 107 0.882 -10.307 -6.445 682 HB3 PRO 107 2HB PRO 107 -0.020 -10.735 -4.376 683 HG3 PRO 107 2HG PRO 107 -1.030 -9.048 -3.134 684 HD3 PRO 107 2HD PRO 107 0.958 -8.011 -3.670 685 H CYS 108 H CYS 108 -1.740 -7.885 -6.437 686 HA CYS 108 HA CYS 108 -2.333 -8.617 -9.214 687 HB3 CYS 108 2HB CYS 108 -4.753 -7.959 -7.757 688 HG CYS 108 HG CYS 108 -4.306 -11.040 -9.062 689 H CYS 109 H CYS 109 -4.154 -6.976 -10.006 690 HA CYS 109 HA CYS 109 -2.932 -4.399 -9.878 691 HB3 CYS 109 2HB CYS 109 -3.947 -5.150 -11.948 692 HG CYS 109 HG CYS 109 -6.089 -6.511 -12.264 693 H LEU 110 H LEU 110 -3.362 -2.750 -8.566 694 HA LEU 110 HA LEU 110 -4.956 -2.954 -6.309 695 HB3 LEU 110 2HB LEU 110 -3.796 -0.632 -7.797 696 HG LEU 110 HG LEU 110 -5.834 0.275 -6.720 697 HD11 LEU 110 1HD1 LEU 110 -5.439 -1.531 -4.773 698 HD12 LEU 110 2HD1 LEU 110 -6.386 -0.061 -4.559 699 HD13 LEU 110 3HD1 LEU 110 -4.707 -0.113 -4.022 700 HD21 LEU 110 3HD2 LEU 110 -4.337 1.779 -5.059 701 HD22 LEU 110 1HD2 LEU 110 -4.367 1.985 -6.811 702 HD23 LEU 110 2HD2 LEU 110 -3.072 1.057 -6.055 703 H ARG 111 H ARG 111 -6.988 -2.202 -5.740 704 HA ARG 111 HA ARG 111 -8.838 -1.886 -7.982 705 HB3 ARG 111 2HB ARG 111 -10.456 -2.020 -5.831 706 HG3 ARG 111 2HG ARG 111 -10.350 -3.594 -7.801 707 HD3 ARG 111 2HD ARG 111 -9.033 -5.644 -6.210 708 HE ARG 111 HE ARG 111 -8.017 -5.131 -8.820 709 HH11 ARG 111 1HH1 ARG 111 -10.778 -6.352 -7.086 710 HH12 ARG 111 2HH1 ARG 111 -11.306 -7.372 -8.384 711 HH21 ARG 111 1HH2 ARG 111 -8.702 -6.468 -10.536 712 HH22 ARG 111 2HH2 ARG 111 -10.124 -7.438 -10.346 713 H ILE 112 H ILE 112 -9.720 0.008 -8.487 714 HA ILE 112 HA ILE 112 -10.136 2.251 -8.474 715 HB ILE 112 HB ILE 112 -10.798 1.681 -5.583 716 HG13 ILE 112 2HG1 ILE 112 -12.042 0.869 -8.033 717 HG21 ILE 112 1HG2 ILE 112 -11.117 4.071 -7.308 718 HG22 ILE 112 2HG2 ILE 112 -12.436 3.675 -6.208 719 HG23 ILE 112 3HG2 ILE 112 -10.815 3.956 -5.574 720 HD11 ILE 112 3HD1 ILE 112 -13.750 0.422 -5.809 721 HD12 ILE 112 1HD1 ILE 112 -12.753 -0.733 -6.694 722 HD13 ILE 112 2HD1 ILE 112 -12.083 0.134 -5.313 723 HA PRO 113 HA PRO 113 -6.006 3.288 -6.652 724 HB3 PRO 113 2HB PRO 113 -4.947 2.755 -8.621 725 HG3 PRO 113 2HG PRO 113 -6.097 2.765 -10.642 726 HD3 PRO 113 2HD PRO 113 -7.538 1.491 -9.372 727 H SER 114 H SER 114 -4.866 5.611 -7.160 728 HA SER 114 HA SER 114 -6.841 7.542 -6.251 729 HB3 SER 114 2HB SER 114 -3.828 7.724 -6.490 730 HG SER 114 HG SER 114 -4.028 9.743 -5.968 731 H LYS 115 H LYS 115 -7.447 6.977 -8.784 732 HA LYS 115 HA LYS 115 -6.132 8.728 -10.649 733 HB3 LYS 115 2HB LYS 115 -7.090 6.657 -11.459 734 HG3 LYS 115 2HG LYS 115 -9.654 7.725 -10.335 735 HD3 LYS 115 2HD LYS 115 -10.169 5.349 -11.745 736 HE3 LYS 115 2HE LYS 115 -11.472 7.070 -13.225 737 HZ1 LYS 115 3HZ LYS 115 -12.426 7.382 -10.532 738 HZ2 LYS 115 1HZ LYS 115 -12.066 5.776 -10.924 739 HZ3 LYS 115 2HZ LYS 115 -13.169 6.649 -11.863 Start of MODEL 6 1 H1 MET 1 H MET 1 -19.307 5.742 0.748 2 HA MET 1 HA MET 1 -18.164 7.418 -1.390 3 HB3 MET 1 2HB MET 1 -18.846 8.544 1.298 4 HG3 MET 1 2HG MET 1 -18.292 9.582 -1.396 5 HE1 MET 1 3HE MET 1 -18.363 12.498 -0.723 6 HE2 MET 1 1HE MET 1 -19.153 12.267 -2.284 7 HE3 MET 1 2HE MET 1 -19.941 13.224 -1.030 8 H ASP 2 H ASP 2 -16.023 7.450 -1.403 9 HA ASP 2 HA ASP 2 -14.500 7.688 1.023 10 HB3 ASP 2 2HB ASP 2 -13.765 5.305 -0.637 11 H THR 3 H THR 3 -12.840 8.984 0.610 12 HA THR 3 HA THR 3 -11.854 9.150 -2.164 13 HB THR 3 HB THR 3 -11.034 11.496 -1.000 14 HG1 THR 3 1HG THR 3 -13.652 10.886 -0.043 15 HG21 THR 3 3HG2 THR 3 -11.912 11.571 -3.160 16 HG22 THR 3 1HG2 THR 3 -13.113 12.446 -2.211 17 HG23 THR 3 2HG2 THR 3 -13.410 10.772 -2.683 18 H SER 4 H SER 4 -9.570 10.029 -2.291 19 HA SER 4 HA SER 4 -7.805 8.280 -1.023 20 HB3 SER 4 2HB SER 4 -6.010 9.776 -1.892 21 HG SER 4 HG SER 4 -7.996 9.606 -3.877 22 H LYS 5 H LYS 5 -9.073 11.339 -0.011 23 HA LYS 5 HA LYS 5 -7.102 12.031 1.889 24 HB3 LYS 5 2HB LYS 5 -9.158 13.273 2.941 25 HG3 LYS 5 2HG LYS 5 -9.167 14.650 0.566 26 HD3 LYS 5 2HD LYS 5 -6.945 15.626 1.773 27 HE3 LYS 5 2HE LYS 5 -9.545 16.097 3.146 28 HZ1 LYS 5 3HZ LYS 5 -7.232 17.433 3.118 29 HZ2 LYS 5 1HZ LYS 5 -8.730 18.152 3.434 30 HZ3 LYS 5 2HZ LYS 5 -8.061 18.237 1.883 31 H PHE 6 H PHE 6 -9.725 9.767 1.935 32 HA PHE 6 HA PHE 6 -9.659 9.464 4.820 33 HB3 PHE 6 2HB PHE 6 -11.121 7.364 3.531 34 HD1 PHE 6 2HD PHE 6 -11.605 10.837 4.812 35 HD2 PHE 6 1HD PHE 6 -12.727 6.737 5.036 36 HE1 PHE 6 2HE PHE 6 -13.123 11.358 6.677 37 HE2 PHE 6 1HE PHE 6 -14.248 7.252 6.900 38 HZ PHE 6 HZ PHE 6 -14.447 9.565 7.724 39 H TRP 7 H TRP 7 -8.431 7.879 1.965 40 HA TRP 7 HA TRP 7 -7.514 5.570 3.481 41 HB3 TRP 7 2HB TRP 7 -6.441 5.164 1.057 42 HD1 TRP 7 HD TRP 7 -7.695 3.227 3.015 43 HE1 TRP 7 1HE TRP 7 -9.689 1.721 2.397 44 HE3 TRP 7 3HE TRP 7 -9.535 5.898 -0.935 45 HZ2 TRP 7 2HZ TRP 7 -11.767 1.672 0.488 46 HZ3 TRP 7 3HZ TRP 7 -11.530 5.054 -2.104 47 HH2 TRP 7 HH TRP 7 -12.620 2.984 -1.406 48 H TYR 8 H TYR 8 -6.433 8.648 2.934 49 HA TYR 8 HA TYR 8 -3.604 7.843 3.088 50 HB3 TYR 8 2HB TYR 8 -4.795 10.473 2.179 51 HD1 TYR 8 2HD TYR 8 -3.271 11.721 3.724 52 HD2 TYR 8 1HD TYR 8 -1.791 9.077 0.736 53 HE1 TYR 8 2HE TYR 8 -1.050 12.761 3.911 54 HE2 TYR 8 1HE TYR 8 0.433 10.111 0.915 55 HH TYR 8 HH TYR 8 1.197 12.694 1.800 56 H LYS 9 H LYS 9 -2.946 7.818 5.133 57 HA LYS 9 HA LYS 9 -3.443 10.180 6.788 58 HB3 LYS 9 2HB LYS 9 -3.777 8.607 8.765 59 HG3 LYS 9 2HG LYS 9 -6.169 8.018 8.128 60 HD3 LYS 9 2HD LYS 9 -6.027 10.849 7.503 61 HE3 LYS 9 2HE LYS 9 -7.593 9.140 9.007 62 HZ1 LYS 9 3HZ LYS 9 -5.641 10.105 10.726 63 HZ2 LYS 9 1HZ LYS 9 -7.067 9.293 11.137 64 HZ3 LYS 9 2HZ LYS 9 -7.046 10.982 11.069 65 HA PRO 10 HA PRO 10 0.978 9.471 7.092 66 HB3 PRO 10 2HB PRO 10 1.238 11.690 6.555 67 HG3 PRO 10 2HG PRO 10 -0.400 13.252 7.088 68 HD3 PRO 10 2HD PRO 10 -1.699 11.649 6.062 69 H HIS 11 H HIS 11 -1.117 10.611 9.709 70 HA HIS 11 HA HIS 11 0.722 9.909 11.788 71 HB3 HIS 11 2HB HIS 11 -1.367 10.229 13.248 72 HD1 HIS 11 1HD HIS 11 -2.499 13.080 12.861 73 HD2 HIS 11 2HD HIS 11 1.439 11.988 12.111 74 HE1 HIS 11 1HE HIS 11 -1.167 15.206 13.035 75 H LEU 12 H LEU 12 -1.165 8.075 9.767 76 HA LEU 12 HA LEU 12 -2.138 6.098 11.563 77 HB3 LEU 12 2HB LEU 12 -1.505 5.295 8.796 78 HG LEU 12 HG LEU 12 -3.047 3.927 10.124 79 HD11 LEU 12 1HD1 LEU 12 -4.528 6.514 10.324 80 HD12 LEU 12 2HD1 LEU 12 -4.154 5.336 11.582 81 HD13 LEU 12 3HD1 LEU 12 -5.400 4.981 10.384 82 HD21 LEU 12 3HD2 LEU 12 -4.590 3.546 8.418 83 HD22 LEU 12 1HD2 LEU 12 -3.218 4.280 7.587 84 HD23 LEU 12 2HD2 LEU 12 -4.645 5.248 7.958 85 H SER 13 H SER 13 -1.330 4.048 12.026 86 HA SER 13 HA SER 13 1.575 3.781 11.648 87 HB3 SER 13 2HB SER 13 1.407 3.640 13.916 88 HG SER 13 HG SER 13 -0.534 3.866 14.663 89 H ARG 14 H ARG 14 2.386 1.510 11.504 90 HA ARG 14 HA ARG 14 1.384 0.214 9.270 91 HB3 ARG 14 2HB ARG 14 3.091 -0.851 11.521 92 HG3 ARG 14 2HG ARG 14 3.656 -2.186 9.103 93 HD3 ARG 14 2HD ARG 14 2.182 -3.536 11.299 94 HE ARG 14 HE ARG 14 3.284 -5.158 10.106 95 HH11 ARG 14 1HH1 ARG 14 5.473 -2.544 10.802 96 HH12 ARG 14 2HH1 ARG 14 6.876 -3.398 10.251 97 HH21 ARG 14 1HH2 ARG 14 5.123 -6.294 9.377 98 HH22 ARG 14 2HH2 ARG 14 6.675 -5.531 9.440 99 H ASP 15 H ASP 15 0.927 -0.626 12.694 100 HA ASP 15 HA ASP 15 -0.621 -2.913 12.338 101 HB3 ASP 15 2HB ASP 15 -1.278 -1.084 14.599 102 H GLN 16 H GLN 16 -1.590 0.485 12.500 103 HA GLN 16 HA GLN 16 -4.371 0.065 12.469 104 HB3 GLN 16 2HB GLN 16 -4.263 2.456 11.341 105 HG3 GLN 16 2HG GLN 16 -3.419 3.356 13.669 106 HE21 GLN 16 1HE2 GLN 16 -5.203 4.588 13.074 107 HE22 GLN 16 2HE2 GLN 16 -6.819 4.100 13.438 108 H ALA 17 H ALA 17 -2.023 0.482 9.857 109 HA ALA 17 HA ALA 17 -3.873 0.570 7.734 110 HB1 ALA 17 1HB ALA 17 -1.528 1.281 7.531 111 HB2 ALA 17 2HB ALA 17 -1.018 -0.402 7.671 112 HB3 ALA 17 3HB ALA 17 -1.982 0.114 6.287 113 H ILE 18 H ILE 18 -2.187 -2.114 9.302 114 HA ILE 18 HA ILE 18 -3.028 -4.129 7.512 115 HB ILE 18 HB ILE 18 -2.279 -4.387 10.427 116 HG13 ILE 18 2HG1 ILE 18 -0.602 -3.370 8.752 117 HG21 ILE 18 1HG2 ILE 18 -1.655 -6.748 9.593 118 HG22 ILE 18 2HG2 ILE 18 -3.349 -6.386 9.921 119 HG23 ILE 18 3HG2 ILE 18 -2.756 -6.397 8.261 120 HD11 ILE 18 3HD1 ILE 18 0.131 -4.273 10.898 121 HD12 ILE 18 1HD1 ILE 18 0.217 -5.884 10.187 122 HD13 ILE 18 2HD1 ILE 18 1.292 -4.608 9.614 123 H ALA 19 H ALA 19 -4.401 -2.892 10.529 124 HA ALA 19 HA ALA 19 -6.505 -4.778 10.711 125 HB1 ALA 19 1HB ALA 19 -6.357 -1.991 11.857 126 HB2 ALA 19 2HB ALA 19 -7.474 -3.264 12.354 127 HB3 ALA 19 3HB ALA 19 -5.741 -3.456 12.626 128 H LEU 20 H LEU 20 -6.203 -1.640 9.145 129 HA LEU 20 HA LEU 20 -8.968 -1.390 8.491 130 HB3 LEU 20 2HB LEU 20 -6.547 -0.062 7.282 131 HG LEU 20 HG LEU 20 -9.362 0.270 6.635 132 HD11 LEU 20 1HD1 LEU 20 -8.981 2.842 6.524 133 HD12 LEU 20 2HD1 LEU 20 -7.853 2.543 7.845 134 HD13 LEU 20 3HD1 LEU 20 -9.551 2.101 8.019 135 HD21 LEU 20 3HD2 LEU 20 -7.401 1.915 5.254 136 HD22 LEU 20 1HD2 LEU 20 -8.486 0.676 4.625 137 HD23 LEU 20 2HD2 LEU 20 -6.937 0.215 5.331 138 H LEU 21 H LEU 21 -6.190 -2.847 6.960 139 HA LEU 21 HA LEU 21 -7.432 -3.175 4.397 140 HB3 LEU 21 2HB LEU 21 -5.485 -4.885 4.168 141 HG LEU 21 HG LEU 21 -4.821 -1.972 4.597 142 HD11 LEU 21 1HD1 LEU 21 -2.785 -3.158 4.696 143 HD12 LEU 21 2HD1 LEU 21 -2.912 -2.554 3.045 144 HD13 LEU 21 3HD1 LEU 21 -3.265 -4.246 3.393 145 HD21 LEU 21 3HD2 LEU 21 -4.875 -2.929 1.874 146 HD22 LEU 21 1HD2 LEU 21 -5.712 -1.559 2.602 147 HD23 LEU 21 2HD2 LEU 21 -6.433 -3.168 2.667 148 H LYS 22 H LYS 22 -6.962 -5.186 7.256 149 HA LYS 22 HA LYS 22 -8.097 -7.533 6.057 150 HB3 LYS 22 2HB LYS 22 -6.424 -7.493 7.965 151 HG3 LYS 22 2HG LYS 22 -8.885 -6.966 9.620 152 HD3 LYS 22 2HD LYS 22 -6.493 -6.777 11.102 153 HE3 LYS 22 2HE LYS 22 -8.805 -8.688 11.027 154 HZ1 LYS 22 3HZ LYS 22 -7.425 -8.895 13.448 155 HZ2 LYS 22 1HZ LYS 22 -6.318 -9.210 12.207 156 HZ3 LYS 22 2HZ LYS 22 -7.743 -10.115 12.320 157 H ASP 23 H ASP 23 -9.388 -4.685 7.286 158 HA ASP 23 HA ASP 23 -11.966 -5.976 7.879 159 HB3 ASP 23 2HB ASP 23 -11.169 -3.158 8.611 160 H LYS 24 H LYS 24 -10.425 -4.608 5.388 161 HA LYS 24 HA LYS 24 -12.870 -3.332 4.347 162 HB3 LYS 24 2HB LYS 24 -11.161 -2.167 2.769 163 HG3 LYS 24 2HG LYS 24 -10.501 -0.550 4.734 164 HD3 LYS 24 2HD LYS 24 -13.075 -1.026 3.349 165 HE3 LYS 24 2HE LYS 24 -13.566 -0.407 5.800 166 HZ1 LYS 24 3HZ LYS 24 -12.895 2.321 4.897 167 HZ2 LYS 24 1HZ LYS 24 -11.760 1.382 5.729 168 HZ3 LYS 24 2HZ LYS 24 -13.233 1.775 6.462 169 H ASP 25 H ASP 25 -13.236 -3.555 2.043 170 HA ASP 25 HA ASP 25 -13.163 -6.155 1.123 171 HB3 ASP 25 2HB ASP 25 -13.284 -4.826 -1.222 172 HA PRO 26 HA PRO 26 -9.145 -6.962 -0.441 173 HB3 PRO 26 2HB PRO 26 -9.892 -9.069 -0.968 174 HG3 PRO 26 2HG PRO 26 -12.045 -9.412 -1.779 175 HD3 PRO 26 2HD PRO 26 -12.518 -8.118 0.069 176 H GLY 27 H GLY 27 -7.650 -6.064 -1.774 177 HA2 GLY 27 2HA GLY 27 -6.886 -5.174 -3.844 178 HA3 GLY 27 3HA GLY 27 -8.552 -4.800 -4.264 179 H ALA 28 H ALA 28 -8.745 -3.735 -1.361 180 HA ALA 28 HA ALA 28 -8.325 -1.004 -2.043 181 HB1 ALA 28 1HB ALA 28 -10.008 -2.115 -0.370 182 HB2 ALA 28 2HB ALA 28 -8.699 -1.863 0.787 183 HB3 ALA 28 3HB ALA 28 -9.389 -0.489 -0.077 184 H PHE 29 H PHE 29 -6.868 0.487 -1.140 185 HA PHE 29 HA PHE 29 -4.581 -0.620 0.322 186 HB3 PHE 29 2HB PHE 29 -4.102 -0.518 -2.163 187 HD1 PHE 29 2HD PHE 29 -6.156 0.962 -2.990 188 HD2 PHE 29 1HD PHE 29 -2.358 2.465 -1.795 189 HE1 PHE 29 2HE PHE 29 -6.555 3.004 -4.304 190 HE2 PHE 29 1HE PHE 29 -2.751 4.510 -3.106 191 HZ PHE 29 HZ PHE 29 -4.851 4.781 -4.364 192 H LEU 30 H LEU 30 -3.111 1.200 1.096 193 HA LEU 30 HA LEU 30 -4.420 3.757 1.480 194 HB3 LEU 30 2HB LEU 30 -5.318 2.276 3.264 195 HG LEU 30 HG LEU 30 -2.728 1.369 3.648 196 HD11 LEU 30 1HD1 LEU 30 -3.240 2.487 6.279 197 HD12 LEU 30 2HD1 LEU 30 -2.869 3.722 5.076 198 HD13 LEU 30 3HD1 LEU 30 -1.739 2.397 5.358 199 HD21 LEU 30 3HD2 LEU 30 -3.744 -0.141 5.001 200 HD22 LEU 30 1HD2 LEU 30 -5.190 0.554 4.269 201 HD23 LEU 30 2HD2 LEU 30 -4.668 1.087 5.868 202 H ILE 31 H ILE 31 -3.016 5.359 2.438 203 HA ILE 31 HA ILE 31 -0.165 4.647 2.194 204 HB ILE 31 HB ILE 31 -1.487 7.293 1.581 205 HG13 ILE 31 2HG1 ILE 31 -0.840 6.855 -0.724 206 HG21 ILE 31 1HG2 ILE 31 0.909 7.725 0.659 207 HG22 ILE 31 2HG2 ILE 31 0.581 7.930 2.380 208 HG23 ILE 31 3HG2 ILE 31 1.374 6.464 1.802 209 HD11 ILE 31 3HD1 ILE 31 1.165 5.476 -0.277 210 HD12 ILE 31 1HD1 ILE 31 0.101 4.143 0.169 211 HD13 ILE 31 2HD1 ILE 31 0.075 4.779 -1.476 212 H ARG 32 H ARG 32 1.240 5.314 3.758 213 HA ARG 32 HA ARG 32 0.233 7.015 5.917 214 HB3 ARG 32 2HB ARG 32 -0.137 4.656 6.585 215 HG3 ARG 32 2HG ARG 32 2.737 4.199 7.040 216 HD3 ARG 32 2HD ARG 32 0.401 2.484 6.209 217 HE ARG 32 HE ARG 32 2.059 1.023 5.630 218 HH11 ARG 32 1HH1 ARG 32 3.021 2.742 8.500 219 HH12 ARG 32 2HH1 ARG 32 4.442 1.785 8.756 220 HH21 ARG 32 1HH2 ARG 32 3.927 -0.246 5.955 221 HH22 ARG 32 2HH2 ARG 32 4.957 0.086 7.307 222 H ASP 33 H ASP 33 2.000 7.721 7.393 223 HA ASP 33 HA ASP 33 4.198 8.699 5.876 224 HB3 ASP 33 2HB ASP 33 3.858 8.724 8.881 225 H SER 34 H SER 34 6.003 7.663 5.386 226 HA SER 34 HA SER 34 6.708 5.217 6.776 227 HB3 SER 34 2HB SER 34 8.364 6.430 4.586 228 HG SER 34 HG SER 34 7.603 3.760 4.664 229 H HIS 35 H HIS 35 7.415 5.898 8.794 230 HA HIS 35 HA HIS 35 9.354 7.946 9.161 231 HB3 HIS 35 2HB HIS 35 7.831 7.340 10.960 232 HD1 HIS 35 1HD HIS 35 10.322 4.531 11.459 233 HD2 HIS 35 2HD HIS 35 6.222 5.141 11.170 234 HE1 HIS 35 1HE HIS 35 9.271 2.318 12.027 235 H SER 36 H SER 36 9.588 4.792 8.016 236 HA SER 36 HA SER 36 11.936 3.792 9.066 237 HB3 SER 36 2HB SER 36 10.824 2.330 7.627 238 HG SER 36 HG SER 36 10.063 2.895 5.629 239 H PHE 37 H PHE 37 11.667 5.696 6.058 240 HA PHE 37 HA PHE 37 14.259 6.913 6.661 241 HB3 PHE 37 2HB PHE 37 14.646 6.626 4.053 242 HD1 PHE 37 1HD PHE 37 16.425 6.753 6.184 243 HD2 PHE 37 2HD PHE 37 14.737 3.265 4.425 244 HE1 PHE 37 1HE PHE 37 18.345 5.431 6.972 245 HE2 PHE 37 2HE PHE 37 16.653 1.937 5.211 246 HZ PHE 37 HZ PHE 37 18.460 3.019 6.487 247 H GLN 38 H GLN 38 14.674 8.876 5.455 248 HA GLN 38 HA GLN 38 12.407 10.549 5.299 249 HB3 GLN 38 2HB GLN 38 14.370 11.885 3.898 250 HG3 GLN 38 2HG GLN 38 14.699 11.897 6.826 251 HE21 GLN 38 1HE2 GLN 38 13.729 14.367 7.292 252 HE22 GLN 38 2HE2 GLN 38 14.565 15.539 6.340 253 H GLY 39 H GLY 39 11.353 11.472 3.543 254 HA2 GLY 39 2HA GLY 39 10.468 11.565 1.427 255 HA3 GLY 39 3HA GLY 39 12.056 11.086 0.845 256 H ALA 40 H ALA 40 9.969 9.228 2.998 257 HA ALA 40 HA ALA 40 9.555 7.282 0.826 258 HB1 ALA 40 1HB ALA 40 9.902 5.454 2.390 259 HB2 ALA 40 2HB ALA 40 11.329 6.488 2.321 260 HB3 ALA 40 3HB ALA 40 10.222 6.605 3.688 261 H TYR 41 H TYR 41 7.628 6.088 0.901 262 HA TYR 41 HA TYR 41 5.641 6.982 2.878 263 HB3 TYR 41 2HB TYR 41 3.953 6.837 0.962 264 HD1 TYR 41 2HD TYR 41 7.050 8.803 0.261 265 HD2 TYR 41 1HD TYR 41 2.992 8.862 1.537 266 HE1 TYR 41 2HE TYR 41 7.114 11.261 0.331 267 HE2 TYR 41 1HE TYR 41 3.044 11.320 1.610 268 HH TYR 41 HH TYR 41 5.904 13.102 1.481 269 H GLY 42 H GLY 42 4.466 5.399 3.782 270 HA2 GLY 42 2HA GLY 42 5.061 2.660 3.029 271 HA3 GLY 42 3HA GLY 42 4.140 3.183 4.432 272 H LEU 43 H LEU 43 3.940 1.663 1.498 273 HA LEU 43 HA LEU 43 1.115 2.385 1.118 274 HB3 LEU 43 2HB LEU 43 3.118 1.090 -0.719 275 HG LEU 43 HG LEU 43 0.536 0.411 -0.941 276 HD11 LEU 43 1HD1 LEU 43 -0.394 2.574 -1.155 277 HD12 LEU 43 2HD1 LEU 43 -0.409 1.864 -2.769 278 HD13 LEU 43 3HD1 LEU 43 0.818 3.057 -2.342 279 HD21 LEU 43 3HD2 LEU 43 1.096 0.445 -3.523 280 HD22 LEU 43 1HD2 LEU 43 1.930 -0.641 -2.411 281 HD23 LEU 43 2HD2 LEU 43 2.704 0.858 -2.926 282 H ALA 44 H ALA 44 -0.396 1.001 1.751 283 HA ALA 44 HA ALA 44 0.364 -1.820 2.148 284 HB1 ALA 44 1HB ALA 44 -1.949 -0.622 3.594 285 HB2 ALA 44 2HB ALA 44 -0.874 -1.936 4.076 286 HB3 ALA 44 3HB ALA 44 -0.314 -0.265 4.150 287 H LEU 45 H LEU 45 -0.902 -3.397 1.290 288 HA LEU 45 HA LEU 45 -3.404 -2.609 -0.027 289 HB3 LEU 45 2HB LEU 45 -1.153 -4.187 -1.259 290 HG LEU 45 HG LEU 45 -3.162 -5.249 -2.050 291 HD11 LEU 45 1HD1 LEU 45 -4.229 -2.586 -1.864 292 HD12 LEU 45 2HD1 LEU 45 -5.074 -4.125 -2.026 293 HD13 LEU 45 3HD1 LEU 45 -4.525 -3.263 -3.465 294 HD21 LEU 45 3HD2 LEU 45 -1.782 -3.371 -3.928 295 HD22 LEU 45 1HD2 LEU 45 -3.080 -4.422 -4.498 296 HD23 LEU 45 2HD2 LEU 45 -1.627 -5.122 -3.783 297 H LYS 46 H LYS 46 -4.994 -4.168 -0.076 298 HA LYS 46 HA LYS 46 -4.507 -6.493 1.639 299 HB3 LYS 46 2HB LYS 46 -7.042 -5.102 0.772 300 HG3 LYS 46 2HG LYS 46 -7.582 -7.447 0.895 301 HD3 LYS 46 2HD LYS 46 -5.847 -7.329 3.283 302 HE3 LYS 46 2HE LYS 46 -8.453 -7.973 3.771 303 HZ1 LYS 46 3HZ LYS 46 -7.200 -10.277 2.593 304 HZ2 LYS 46 1HZ LYS 46 -8.834 -9.981 2.915 305 HZ3 LYS 46 2HZ LYS 46 -7.827 -10.578 4.135 306 H VAL 47 H VAL 47 -4.585 -8.528 0.895 307 HA VAL 47 HA VAL 47 -5.178 -8.906 -1.956 308 HB VAL 47 HB VAL 47 -3.871 -10.997 -0.255 309 HG11 VAL 47 1HG1 VAL 47 -4.419 -11.733 -2.431 310 HG12 VAL 47 2HG1 VAL 47 -3.824 -10.243 -3.167 311 HG13 VAL 47 3HG1 VAL 47 -2.689 -11.394 -2.458 312 HG21 VAL 47 3HG2 VAL 47 -2.592 -9.031 0.262 313 HG22 VAL 47 1HG2 VAL 47 -1.670 -10.015 -0.873 314 HG23 VAL 47 2HG2 VAL 47 -2.517 -8.576 -1.440 315 H ALA 48 H ALA 48 -6.211 -10.970 -2.576 316 HA ALA 48 HA ALA 48 -8.054 -11.998 -0.529 317 HB1 ALA 48 1HB ALA 48 -8.814 -10.316 -2.617 318 HB2 ALA 48 2HB ALA 48 -9.311 -11.932 -3.121 319 HB3 ALA 48 3HB ALA 48 -9.871 -11.277 -1.583 320 H THR 49 H THR 49 -5.587 -13.084 -1.654 321 HA THR 49 HA THR 49 -6.641 -15.672 -2.453 322 HB THR 49 HB THR 49 -5.181 -15.905 -4.392 323 HG1 THR 49 1HG THR 49 -3.523 -14.574 -4.366 324 HG21 THR 49 3HG2 THR 49 -6.393 -14.537 -5.933 325 HG22 THR 49 1HG2 THR 49 -6.778 -13.362 -4.677 326 HG23 THR 49 2HG2 THR 49 -7.500 -14.970 -4.631 327 HA PRO 50 HA PRO 50 -3.180 -16.092 0.508 328 HB3 PRO 50 2HB PRO 50 -4.690 -16.688 2.133 329 HG3 PRO 50 2HG PRO 50 -6.753 -17.606 1.576 330 HD3 PRO 50 2HD PRO 50 -6.753 -15.762 0.192 331 HA PRO 51 HA PRO 51 -0.826 -19.208 -1.512 332 HB3 PRO 51 2HB PRO 51 0.884 -18.743 -0.051 333 HG3 PRO 51 2HG PRO 51 0.457 -18.275 2.187 334 HD3 PRO 51 2HD PRO 51 -1.039 -16.834 1.187 335 HA PRO 52 HA PRO 52 -2.724 -23.174 -1.434 336 HB3 PRO 52 2HB PRO 52 -1.356 -23.768 -3.181 337 HG3 PRO 52 2HG PRO 52 0.861 -23.070 -3.260 338 HD3 PRO 52 2HD PRO 52 -0.176 -21.054 -2.842 339 H SER 53 H SER 53 -0.079 -22.557 0.722 340 HA SER 53 HA SER 53 -0.651 -24.967 2.283 341 HB3 SER 53 2HB SER 53 1.601 -24.907 2.422 342 HG SER 53 HG SER 53 2.560 -22.563 2.247 343 H ALA 54 H ALA 54 -0.146 -21.491 2.918 344 HA ALA 54 HA ALA 54 -1.012 -20.089 4.491 345 HB1 ALA 54 1HB ALA 54 -3.267 -21.844 3.724 346 HB2 ALA 54 2HB ALA 54 -3.475 -20.861 5.174 347 HB3 ALA 54 3HB ALA 54 -3.108 -20.090 3.631 348 H GLN 55 H GLN 55 0.650 -20.943 5.959 349 HA GLN 55 HA GLN 55 0.367 -23.010 7.750 350 HB3 GLN 55 2HB GLN 55 1.774 -21.509 9.305 351 HG3 GLN 55 2HG GLN 55 2.579 -22.349 6.560 352 HE21 GLN 55 1HE2 GLN 55 5.239 -22.854 7.334 353 HE22 GLN 55 2HE2 GLN 55 6.081 -21.346 7.375 354 HA PRO 56 HA PRO 56 -3.277 -21.531 9.928 355 HB3 PRO 56 2HB PRO 56 -4.173 -23.621 9.594 356 HG3 PRO 56 2HG PRO 56 -2.808 -25.490 9.372 357 HD3 PRO 56 2HD PRO 56 -1.797 -24.079 7.856 358 H TRP 57 H TRP 57 -3.781 -21.083 12.124 359 HA TRP 57 HA TRP 57 -3.332 -20.455 14.263 360 HB3 TRP 57 2HB TRP 57 -1.063 -22.094 14.894 361 HD1 TRP 57 HD TRP 57 -4.946 -22.141 15.107 362 HE1 TRP 57 1HE TRP 57 -5.592 -22.525 17.569 363 HE3 TRP 57 3HE TRP 57 -0.268 -22.662 17.104 364 HZ2 TRP 57 2HZ TRP 57 -4.292 -22.986 20.031 365 HZ3 TRP 57 3HZ TRP 57 -0.056 -23.071 19.520 366 HH2 TRP 57 HH TRP 57 -2.027 -23.229 20.952 367 H LYS 58 H LYS 58 -1.235 -19.937 15.756 368 HA LYS 58 HA LYS 58 0.406 -18.392 16.086 369 HB3 LYS 58 2HB LYS 58 2.301 -18.518 14.351 370 HG3 LYS 58 2HG LYS 58 2.751 -21.017 14.929 371 HD3 LYS 58 2HD LYS 58 2.448 -19.018 17.168 372 HE3 LYS 58 2HE LYS 58 3.657 -21.635 16.932 373 HZ1 LYS 58 3HZ LYS 58 5.664 -20.334 16.486 374 HZ2 LYS 58 1HZ LYS 58 5.742 -21.105 17.989 375 HZ3 LYS 58 2HZ LYS 58 5.415 -19.448 17.905 376 H GLY 59 H GLY 59 -1.818 -17.217 15.096 377 HA2 GLY 59 2HA GLY 59 -1.907 -14.859 14.503 378 HA3 GLY 59 3HA GLY 59 -0.692 -15.185 13.275 379 H ASP 60 H ASP 60 -3.723 -14.290 13.505 380 HA ASP 60 HA ASP 60 -5.313 -16.046 12.075 381 HB3 ASP 60 2HB ASP 60 -6.202 -13.635 11.161 382 HA PRO 61 HA PRO 61 -3.908 -16.129 7.921 383 HB3 PRO 61 2HB PRO 61 -5.692 -17.499 7.445 384 HG3 PRO 61 2HG PRO 61 -7.773 -17.140 8.419 385 HD3 PRO 61 2HD PRO 61 -6.440 -17.086 10.299 386 H VAL 62 H VAL 62 -5.863 -13.484 8.983 387 HA VAL 62 HA VAL 62 -5.773 -11.935 6.596 388 HB VAL 62 HB VAL 62 -6.456 -10.046 8.012 389 HG11 VAL 62 1HG1 VAL 62 -8.248 -11.944 9.207 390 HG12 VAL 62 2HG1 VAL 62 -8.532 -10.824 7.873 391 HG13 VAL 62 3HG1 VAL 62 -7.866 -12.425 7.554 392 HG21 VAL 62 3HG2 VAL 62 -5.723 -11.943 10.207 393 HG22 VAL 62 1HG2 VAL 62 -5.315 -10.238 10.018 394 HG23 VAL 62 2HG2 VAL 62 -6.952 -10.707 10.472 395 H GLU 63 H GLU 63 -3.676 -12.266 9.390 396 HA GLU 63 HA GLU 63 -2.091 -9.995 9.068 397 HB3 GLU 63 2HB GLU 63 -0.401 -11.170 10.364 398 HG3 GLU 63 2HG GLU 63 -2.562 -12.466 11.749 399 H GLN 64 H GLN 64 -2.235 -12.908 7.223 400 HA GLN 64 HA GLN 64 0.283 -12.280 5.862 401 HB3 GLN 64 2HB GLN 64 -0.959 -14.620 4.802 402 HG3 GLN 64 2HG GLN 64 1.280 -14.705 6.774 403 HE21 GLN 64 1HE2 GLN 64 -0.256 -16.823 6.395 404 HE22 GLN 64 2HE2 GLN 64 0.484 -17.967 5.333 405 H LEU 65 H LEU 65 -2.989 -11.701 5.574 406 HA LEU 65 HA LEU 65 -3.009 -11.716 2.656 407 HB3 LEU 65 2HB LEU 65 -5.401 -10.850 3.087 408 HG LEU 65 HG LEU 65 -4.680 -13.635 3.995 409 HD11 LEU 65 1HD1 LEU 65 -7.380 -12.996 2.978 410 HD12 LEU 65 2HD1 LEU 65 -6.999 -12.457 4.614 411 HD13 LEU 65 3HD1 LEU 65 -6.868 -14.166 4.196 412 HD21 LEU 65 3HD2 LEU 65 -4.326 -14.004 1.835 413 HD22 LEU 65 1HD2 LEU 65 -4.806 -12.357 1.427 414 HD23 LEU 65 2HD2 LEU 65 -6.024 -13.629 1.536 415 H VAL 66 H VAL 66 -1.492 -9.798 4.506 416 HA VAL 66 HA VAL 66 -2.407 -7.338 3.169 417 HB VAL 66 HB VAL 66 -1.376 -7.529 6.002 418 HG11 VAL 66 1HG1 VAL 66 -1.665 -5.296 4.122 419 HG12 VAL 66 2HG1 VAL 66 -2.373 -5.018 5.714 420 HG13 VAL 66 3HG1 VAL 66 -0.668 -5.442 5.569 421 HG21 VAL 66 3HG2 VAL 66 -3.939 -6.289 5.750 422 HG22 VAL 66 1HG2 VAL 66 -3.976 -7.871 4.970 423 HG23 VAL 66 2HG2 VAL 66 -3.489 -7.732 6.660 424 H ARG 67 H ARG 67 -0.890 -6.548 1.880 425 HA ARG 67 HA ARG 67 1.927 -7.170 2.472 426 HB3 ARG 67 2HB ARG 67 2.106 -6.452 -0.066 427 HG3 ARG 67 2HG ARG 67 1.656 -8.772 -0.796 428 HD3 ARG 67 2HD ARG 67 3.666 -7.870 0.792 429 HE ARG 67 HE ARG 67 2.240 -9.469 2.549 430 HH11 ARG 67 1HH1 ARG 67 5.451 -9.335 1.209 431 HH12 ARG 67 2HH1 ARG 67 6.200 -10.060 2.592 432 HH21 ARG 67 1HH2 ARG 67 3.215 -10.425 4.377 433 HH22 ARG 67 2HH2 ARG 67 4.927 -10.681 4.394 434 H HIS 68 H HIS 68 3.034 -5.527 3.285 435 HA HIS 68 HA HIS 68 2.353 -2.798 2.407 436 HB3 HIS 68 2HB HIS 68 1.773 -3.162 4.764 437 HD1 HIS 68 1HD HIS 68 5.390 -2.665 5.521 438 HD2 HIS 68 2HD HIS 68 2.480 -5.592 5.987 439 HE1 HIS 68 1HE HIS 68 6.378 -4.348 7.107 440 H PHE 69 H PHE 69 3.906 -1.742 1.368 441 HA PHE 69 HA PHE 69 6.705 -2.509 1.844 442 HB3 PHE 69 2HB PHE 69 7.029 -2.003 -0.665 443 HD1 PHE 69 1HD PHE 69 7.892 -4.057 1.118 444 HD2 PHE 69 2HD PHE 69 4.812 -4.192 -1.817 445 HE1 PHE 69 1HE PHE 69 8.177 -6.494 0.936 446 HE2 PHE 69 2HE PHE 69 5.091 -6.629 -2.001 447 HZ PHE 69 HZ PHE 69 6.775 -7.784 -0.623 448 H LEU 70 H LEU 70 8.253 -0.857 1.515 449 HA LEU 70 HA LEU 70 7.132 1.832 1.815 450 HB3 LEU 70 2HB LEU 70 8.585 1.346 3.581 451 HG LEU 70 HG LEU 70 10.276 -0.049 1.606 452 HD11 LEU 70 1HD1 LEU 70 11.630 1.950 2.355 453 HD12 LEU 70 2HD1 LEU 70 12.339 0.368 2.672 454 HD13 LEU 70 3HD1 LEU 70 11.570 1.267 3.979 455 HD21 LEU 70 3HD2 LEU 70 10.824 -1.037 4.077 456 HD22 LEU 70 1HD2 LEU 70 9.518 -1.602 3.036 457 HD23 LEU 70 2HD2 LEU 70 9.187 -0.421 4.304 458 H ILE 71 H ILE 71 7.248 3.277 0.231 459 HA ILE 71 HA ILE 71 8.926 2.666 -2.098 460 HB ILE 71 HB ILE 71 6.767 4.761 -1.987 461 HG13 ILE 71 2HG1 ILE 71 6.512 1.851 -1.983 462 HG21 ILE 71 1HG2 ILE 71 6.755 4.516 -4.391 463 HG22 ILE 71 2HG2 ILE 71 8.395 4.849 -3.836 464 HG23 ILE 71 3HG2 ILE 71 7.934 3.208 -4.293 465 HD11 ILE 71 3HD1 ILE 71 5.108 4.048 -0.965 466 HD12 ILE 71 1HD1 ILE 71 4.023 3.250 -2.102 467 HD13 ILE 71 2HD1 ILE 71 4.732 2.337 -0.771 468 H GLU 72 H GLU 72 10.528 3.989 -2.764 469 HA GLU 72 HA GLU 72 10.993 6.431 -1.181 470 HB3 GLU 72 2HB GLU 72 13.437 5.971 -2.104 471 HG3 GLU 72 2HG GLU 72 12.321 5.709 0.338 472 H THR 73 H THR 73 11.187 8.322 -2.219 473 HA THR 73 HA THR 73 11.251 8.260 -5.166 474 HB THR 73 HB THR 73 9.135 9.131 -4.526 475 HG1 THR 73 1HG THR 73 9.415 11.411 -5.168 476 HG21 THR 73 3HG2 THR 73 10.572 11.044 -2.684 477 HG22 THR 73 1HG2 THR 73 9.704 9.601 -2.164 478 HG23 THR 73 2HG2 THR 73 8.829 10.930 -2.927 479 H GLY 74 H GLY 74 13.023 9.071 -6.065 480 HA2 GLY 74 2HA GLY 74 14.458 11.221 -4.643 481 HA3 GLY 74 3HA GLY 74 15.329 9.842 -5.298 482 HA PRO 75 HA PRO 75 15.306 13.244 -8.465 483 HB3 PRO 75 2HB PRO 75 17.282 14.116 -7.680 484 HG3 PRO 75 2HG PRO 75 18.760 12.814 -6.444 485 HD3 PRO 75 2HD PRO 75 16.803 12.383 -5.305 486 H LYS 76 H LYS 76 15.986 9.939 -8.300 487 HA LYS 76 HA LYS 76 16.378 9.738 -11.208 488 HB3 LYS 76 2HB LYS 76 16.762 7.209 -10.339 489 HG3 LYS 76 2HG LYS 76 19.245 8.293 -9.820 490 HD3 LYS 76 2HD LYS 76 18.274 7.820 -12.616 491 HE3 LYS 76 2HE LYS 76 20.783 8.108 -11.415 492 HZ1 LYS 76 3HZ LYS 76 21.196 6.017 -10.715 493 HZ2 LYS 76 1HZ LYS 76 21.567 5.766 -12.347 494 HZ3 LYS 76 2HZ LYS 76 20.055 5.308 -11.743 495 H GLY 77 H GLY 77 13.936 9.746 -9.052 496 HA2 GLY 77 2HA GLY 77 11.720 9.312 -10.069 497 HA3 GLY 77 3HA GLY 77 12.379 7.776 -10.612 498 H VAL 78 H VAL 78 10.192 7.348 -9.384 499 HA VAL 78 HA VAL 78 10.814 6.831 -6.551 500 HB VAL 78 HB VAL 78 8.862 8.268 -6.857 501 HG11 VAL 78 1HG1 VAL 78 8.260 7.388 -9.112 502 HG12 VAL 78 2HG1 VAL 78 7.583 5.963 -8.320 503 HG13 VAL 78 3HG1 VAL 78 6.892 7.557 -8.014 504 HG21 VAL 78 3HG2 VAL 78 8.976 6.581 -5.007 505 HG22 VAL 78 1HG2 VAL 78 7.345 7.083 -5.448 506 HG23 VAL 78 2HG2 VAL 78 7.964 5.524 -5.992 507 H LYS 79 H LYS 79 11.034 4.793 -5.904 508 HA LYS 79 HA LYS 79 9.928 2.651 -7.597 509 HB3 LYS 79 2HB LYS 79 12.441 2.947 -7.766 510 HG3 LYS 79 2HG LYS 79 12.807 1.423 -5.279 511 HD3 LYS 79 2HD LYS 79 14.682 3.392 -5.363 512 HE3 LYS 79 2HE LYS 79 14.926 0.923 -7.060 513 HZ1 LYS 79 3HZ LYS 79 16.755 2.763 -6.433 514 HZ2 LYS 79 1HZ LYS 79 17.122 1.140 -6.738 515 HZ3 LYS 79 2HZ LYS 79 16.963 1.686 -5.146 516 H ILE 80 H ILE 80 9.065 0.877 -6.556 517 HA ILE 80 HA ILE 80 8.479 1.276 -3.722 518 HB ILE 80 HB ILE 80 7.310 -0.785 -5.592 519 HG13 ILE 80 2HG1 ILE 80 6.914 2.040 -5.530 520 HG21 ILE 80 1HG2 ILE 80 6.010 -1.471 -3.897 521 HG22 ILE 80 2HG2 ILE 80 7.238 -0.726 -2.876 522 HG23 ILE 80 3HG2 ILE 80 5.774 0.166 -3.284 523 HD11 ILE 80 3HD1 ILE 80 4.898 1.169 -7.081 524 HD12 ILE 80 1HD1 ILE 80 6.569 1.316 -7.623 525 HD13 ILE 80 2HD1 ILE 80 5.948 -0.248 -7.096 526 H LYS 81 H LYS 81 9.635 0.264 -2.233 527 HA LYS 81 HA LYS 81 11.580 -1.689 -2.809 528 HB3 LYS 81 2HB LYS 81 10.310 -1.036 -0.143 529 HG3 LYS 81 2HG LYS 81 11.746 -3.114 -0.245 530 HD3 LYS 81 2HD LYS 81 13.444 -1.505 -1.708 531 HE3 LYS 81 2HE LYS 81 14.550 -1.869 1.076 532 HZ1 LYS 81 3HZ LYS 81 16.403 -2.202 -0.181 533 HZ2 LYS 81 1HZ LYS 81 16.414 -0.511 -0.133 534 HZ3 LYS 81 2HZ LYS 81 15.827 -1.314 -1.500 535 H GLY 82 H GLY 82 10.717 -3.461 -3.853 536 HA2 GLY 82 2HA GLY 82 9.458 -5.414 -2.135 537 HA3 GLY 82 3HA GLY 82 8.436 -4.857 -3.452 538 H CYS 83 H CYS 83 10.489 -4.541 -5.398 539 HA CYS 83 HA CYS 83 11.585 -7.240 -5.694 540 HB3 CYS 83 2HB CYS 83 10.797 -6.758 -8.249 541 HG CYS 83 HG CYS 83 10.441 -9.226 -6.794 542 HA PRO 84 HA PRO 84 15.150 -5.277 -7.327 543 HB3 PRO 84 2HB PRO 84 16.091 -7.363 -7.528 544 HG3 PRO 84 2HG PRO 84 14.824 -9.191 -8.205 545 HD3 PRO 84 2HD PRO 84 13.464 -8.360 -6.540 546 H SER 85 H SER 85 12.396 -5.727 -9.261 547 HA SER 85 HA SER 85 13.156 -4.944 -11.795 548 HB3 SER 85 2HB SER 85 10.624 -3.944 -10.495 549 HG SER 85 HG SER 85 11.121 -4.969 -13.093 550 H GLU 86 H GLU 86 11.759 -2.716 -9.380 551 HA GLU 86 HA GLU 86 11.973 -0.464 -9.107 552 HB3 GLU 86 2HB GLU 86 14.187 0.351 -8.861 553 HG3 GLU 86 2HG GLU 86 14.335 -2.621 -8.409 554 HA PRO 87 HA PRO 87 11.688 0.257 -13.712 555 HB3 PRO 87 2HB PRO 87 9.559 -0.599 -13.834 556 HG3 PRO 87 2HG PRO 87 8.202 -0.711 -11.948 557 HD3 PRO 87 2HD PRO 87 10.119 -1.684 -11.116 558 H TYR 88 H TYR 88 11.314 2.033 -10.820 559 HA TYR 88 HA TYR 88 11.405 4.248 -10.292 560 HB3 TYR 88 2HB TYR 88 13.076 5.520 -11.415 561 HD1 TYR 88 1HD TYR 88 13.639 3.920 -9.278 562 HD2 TYR 88 2HD TYR 88 14.628 3.124 -13.339 563 HE1 TYR 88 1HE TYR 88 15.461 2.442 -8.538 564 HE2 TYR 88 2HE TYR 88 16.453 1.644 -12.611 565 HH TYR 88 HH TYR 88 16.959 0.251 -10.491 566 H PHE 89 H PHE 89 9.141 4.564 -10.575 567 HA PHE 89 HA PHE 89 8.174 5.573 -13.110 568 HB3 PHE 89 2HB PHE 89 6.005 5.797 -11.874 569 HD1 PHE 89 2HD PHE 89 6.504 4.203 -14.013 570 HD2 PHE 89 1HD PHE 89 6.491 3.005 -9.928 571 HE1 PHE 89 2HE PHE 89 6.044 1.885 -14.697 572 HE2 PHE 89 1HE PHE 89 6.031 0.686 -10.606 573 HZ PHE 89 HZ PHE 89 5.806 0.123 -12.993 574 H GLY 90 H GLY 90 6.464 7.544 -12.580 575 HA2 GLY 90 2HA GLY 90 8.167 9.804 -12.242 576 HA3 GLY 90 3HA GLY 90 6.423 9.842 -12.457 577 H SER 91 H SER 91 5.170 9.078 -10.459 578 HA SER 91 HA SER 91 6.508 9.793 -7.962 579 HB3 SER 91 2HB SER 91 3.911 11.009 -7.944 580 HG SER 91 HG SER 91 5.207 12.858 -7.497 581 H LEU 92 H LEU 92 4.764 9.583 -6.108 582 HA LEU 92 HA LEU 92 4.091 6.918 -5.866 583 HB3 LEU 92 2HB LEU 92 2.346 7.901 -4.157 584 HG LEU 92 HG LEU 92 5.049 7.274 -3.871 585 HD11 LEU 92 1HD1 LEU 92 5.961 9.349 -3.646 586 HD12 LEU 92 2HD1 LEU 92 5.455 9.076 -1.980 587 HD13 LEU 92 3HD1 LEU 92 4.465 10.068 -3.051 588 HD21 LEU 92 3HD2 LEU 92 2.776 6.817 -2.538 589 HD22 LEU 92 1HD2 LEU 92 3.495 8.022 -1.469 590 HD23 LEU 92 2HD2 LEU 92 4.373 6.538 -1.840 591 H SER 93 H SER 93 2.187 9.576 -7.158 592 HA SER 93 HA SER 93 -0.262 8.147 -7.337 593 HB3 SER 93 2HB SER 93 -0.744 10.014 -9.099 594 HG SER 93 HG SER 93 -0.055 10.871 -6.490 595 H ALA 94 H ALA 94 2.488 8.564 -9.474 596 HA ALA 94 HA ALA 94 1.299 7.498 -11.811 597 HB1 ALA 94 1HB ALA 94 3.444 8.862 -11.616 598 HB2 ALA 94 2HB ALA 94 4.230 7.343 -11.182 599 HB3 ALA 94 3HB ALA 94 3.445 7.512 -12.752 600 H LEU 95 H LEU 95 3.284 6.035 -9.256 601 HA LEU 95 HA LEU 95 3.251 3.429 -10.415 602 HB3 LEU 95 2HB LEU 95 5.050 4.002 -8.964 603 HG LEU 95 HG LEU 95 3.579 5.548 -7.441 604 HD11 LEU 95 1HD1 LEU 95 2.131 4.374 -6.205 605 HD12 LEU 95 2HD1 LEU 95 3.533 3.983 -5.208 606 HD13 LEU 95 3HD1 LEU 95 2.997 2.857 -6.454 607 HD21 LEU 95 3HD2 LEU 95 5.911 5.568 -7.186 608 HD22 LEU 95 1HD2 LEU 95 5.951 3.897 -6.623 609 HD23 LEU 95 2HD2 LEU 95 5.289 5.161 -5.586 610 H VAL 96 H VAL 96 1.207 5.165 -8.181 611 HA VAL 96 HA VAL 96 -0.202 2.914 -7.166 612 HB VAL 96 HB VAL 96 -0.679 5.864 -7.162 613 HG11 VAL 96 1HG1 VAL 96 -2.881 5.140 -7.596 614 HG12 VAL 96 2HG1 VAL 96 -2.720 3.752 -6.519 615 HG13 VAL 96 3HG1 VAL 96 -2.794 5.383 -5.852 616 HG21 VAL 96 3HG2 VAL 96 -1.061 4.603 -4.653 617 HG22 VAL 96 1HG2 VAL 96 0.384 3.911 -5.389 618 HG23 VAL 96 2HG2 VAL 96 0.260 5.656 -5.160 619 H SER 97 H SER 97 -0.798 5.178 -9.821 620 HA SER 97 HA SER 97 -3.332 4.074 -10.522 621 HB3 SER 97 2HB SER 97 -2.817 5.356 -12.731 622 HG SER 97 HG SER 97 -2.726 7.049 -10.502 623 H GLN 98 H GLN 98 -0.023 3.596 -11.650 624 HA GLN 98 HA GLN 98 -0.725 1.878 -13.812 625 HB3 GLN 98 2HB GLN 98 1.883 1.245 -13.157 626 HG3 GLN 98 2HG GLN 98 2.576 2.733 -14.895 627 HE21 GLN 98 1HE2 GLN 98 2.040 0.250 -15.148 628 HE22 GLN 98 2HE2 GLN 98 0.937 -0.099 -16.431 629 H HIS 99 H HIS 99 -0.079 1.418 -10.421 630 HA HIS 99 HA HIS 99 0.498 -1.317 -10.392 631 HB3 HIS 99 2HB HIS 99 -0.812 -1.020 -8.047 632 HD1 HIS 99 1HD HIS 99 0.892 -0.333 -6.011 633 HD2 HIS 99 2HD HIS 99 2.529 -0.767 -9.805 634 HE1 HIS 99 1HE HIS 99 3.363 -0.627 -5.647 635 H SER 100 H SER 100 -2.425 0.331 -11.070 636 HA SER 100 HA SER 100 -4.114 -1.959 -10.480 637 HB3 SER 100 2HB SER 100 -4.626 0.690 -10.378 638 HG SER 100 HG SER 100 -6.270 0.488 -12.403 639 H ILE 101 H ILE 101 -1.995 -1.425 -12.813 640 HA ILE 101 HA ILE 101 -3.622 -2.818 -14.829 641 HB ILE 101 HB ILE 101 -1.581 -0.677 -15.445 642 HG13 ILE 101 2HG1 ILE 101 -3.733 0.166 -14.478 643 HG21 ILE 101 1HG2 ILE 101 -3.213 -1.240 -17.663 644 HG22 ILE 101 2HG2 ILE 101 -1.495 -1.585 -17.467 645 HG23 ILE 101 3HG2 ILE 101 -2.695 -2.796 -17.014 646 HD11 ILE 101 3HD1 ILE 101 -2.433 1.117 -16.718 647 HD12 ILE 101 1HD1 ILE 101 -4.130 1.074 -17.193 648 HD13 ILE 101 2HD1 ILE 101 -3.638 1.973 -15.757 649 H SER 102 H SER 102 -0.408 -2.126 -13.547 650 HA SER 102 HA SER 102 0.433 -4.813 -14.312 651 HB3 SER 102 2HB SER 102 2.486 -4.076 -15.349 652 HG SER 102 HG SER 102 1.202 -2.366 -16.851 653 HA PRO 103 HA PRO 103 1.680 -3.690 -10.019 654 HB3 PRO 103 2HB PRO 103 -0.112 -4.853 -9.176 655 HG3 PRO 103 2HG PRO 103 -1.123 -6.553 -10.399 656 HD3 PRO 103 2HD PRO 103 -1.087 -4.885 -11.990 657 H ILE 104 H ILE 104 3.721 -3.905 -9.341 658 HA ILE 104 HA ILE 104 5.427 -5.889 -10.629 659 HB ILE 104 HB ILE 104 6.155 -3.581 -8.822 660 HG13 ILE 104 2HG1 ILE 104 6.906 -2.469 -10.847 661 HG21 ILE 104 1HG2 ILE 104 8.456 -4.053 -9.892 662 HG22 ILE 104 2HG2 ILE 104 7.907 -5.082 -8.571 663 HG23 ILE 104 3HG2 ILE 104 7.791 -5.650 -10.236 664 HD11 ILE 104 3HD1 ILE 104 6.807 -5.048 -12.011 665 HD12 ILE 104 1HD1 ILE 104 5.682 -4.006 -12.881 666 HD13 ILE 104 2HD1 ILE 104 7.375 -3.536 -12.720 667 H SER 105 H SER 105 5.452 -4.587 -7.317 668 HA SER 105 HA SER 105 6.123 -7.253 -6.328 669 HB3 SER 105 2HB SER 105 7.483 -5.249 -5.657 670 HG SER 105 HG SER 105 5.263 -4.604 -4.022 671 H LEU 106 H LEU 106 3.459 -6.823 -7.221 672 HA LEU 106 HA LEU 106 2.021 -7.191 -4.680 673 HB3 LEU 106 2HB LEU 106 0.239 -5.888 -5.332 674 HG LEU 106 HG LEU 106 2.558 -4.508 -6.680 675 HD11 LEU 106 1HD1 LEU 106 1.105 -3.037 -7.475 676 HD12 LEU 106 2HD1 LEU 106 0.634 -2.656 -5.820 677 HD13 LEU 106 3HD1 LEU 106 -0.240 -3.894 -6.722 678 HD21 LEU 106 3HD2 LEU 106 3.118 -3.670 -4.674 679 HD22 LEU 106 1HD2 LEU 106 2.242 -5.066 -4.045 680 HD23 LEU 106 2HD2 LEU 106 1.439 -3.500 -4.160 681 HA PRO 107 HA PRO 107 0.528 -10.969 -6.345 682 HB3 PRO 107 2HB PRO 107 -0.408 -11.369 -4.285 683 HG3 PRO 107 2HG PRO 107 -1.344 -9.644 -3.037 684 HD3 PRO 107 2HD PRO 107 0.694 -8.698 -3.554 685 H CYS 108 H CYS 108 -1.614 -8.168 -6.572 686 HA CYS 108 HA CYS 108 -2.316 -8.912 -9.280 687 HB3 CYS 108 2HB CYS 108 -4.777 -8.208 -7.975 688 HG CYS 108 HG CYS 108 -4.354 -11.370 -9.045 689 H CYS 109 H CYS 109 -4.080 -7.176 -10.047 690 HA CYS 109 HA CYS 109 -2.752 -4.668 -9.883 691 HB3 CYS 109 2HB CYS 109 -4.408 -3.868 -11.414 692 HG CYS 109 HG CYS 109 -4.897 -6.401 -13.139 693 H LEU 110 H LEU 110 -3.126 -2.939 -8.631 694 HA LEU 110 HA LEU 110 -4.630 -3.147 -6.277 695 HB3 LEU 110 2HB LEU 110 -3.711 -0.633 -7.664 696 HG LEU 110 HG LEU 110 -4.820 -1.071 -4.982 697 HD11 LEU 110 1HD1 LEU 110 -2.056 -0.285 -5.279 698 HD12 LEU 110 2HD1 LEU 110 -2.982 -0.624 -3.817 699 HD13 LEU 110 3HD1 LEU 110 -3.017 0.990 -4.528 700 HD21 LEU 110 3HD2 LEU 110 -4.331 1.645 -5.888 701 HD22 LEU 110 1HD2 LEU 110 -5.846 0.848 -5.466 702 HD23 LEU 110 2HD2 LEU 110 -5.181 0.674 -7.091 703 H ARG 111 H ARG 111 -6.593 -2.283 -5.637 704 HA ARG 111 HA ARG 111 -8.455 -1.731 -7.829 705 HB3 ARG 111 2HB ARG 111 -9.935 -1.890 -5.488 706 HG3 ARG 111 2HG ARG 111 -10.411 -2.998 -7.677 707 HD3 ARG 111 2HD ARG 111 -8.853 -5.325 -6.618 708 HE ARG 111 HE ARG 111 -9.171 -5.048 -9.435 709 HH11 ARG 111 1HH1 ARG 111 -10.818 -5.986 -6.516 710 HH12 ARG 111 2HH1 ARG 111 -11.915 -7.056 -7.323 711 HH21 ARG 111 1HH2 ARG 111 -10.610 -6.454 -10.510 712 HH22 ARG 111 2HH2 ARG 111 -11.795 -7.322 -9.595 713 H ILE 112 H ILE 112 -9.197 0.251 -8.195 714 HA ILE 112 HA ILE 112 -8.829 2.286 -6.095 715 HB ILE 112 HB ILE 112 -8.952 2.718 -9.083 716 HG13 ILE 112 2HG1 ILE 112 -6.824 1.775 -7.514 717 HG21 ILE 112 1HG2 ILE 112 -8.912 4.526 -6.744 718 HG22 ILE 112 2HG2 ILE 112 -7.902 4.977 -8.115 719 HG23 ILE 112 3HG2 ILE 112 -9.635 4.746 -8.338 720 HD11 ILE 112 3HD1 ILE 112 -5.430 2.318 -9.533 721 HD12 ILE 112 1HD1 ILE 112 -6.848 1.313 -9.824 722 HD13 ILE 112 2HD1 ILE 112 -6.881 3.026 -10.241 723 HA PRO 113 HA PRO 113 -13.402 1.788 -6.732 724 HB3 PRO 113 2HB PRO 113 -13.568 0.360 -4.939 725 HG3 PRO 113 2HG PRO 113 -11.962 0.354 -3.257 726 HD3 PRO 113 2HD PRO 113 -10.597 0.214 -5.110 727 H SER 114 H SER 114 -13.216 3.948 -7.635 728 HA SER 114 HA SER 114 -13.016 6.242 -5.954 729 HB3 SER 114 2HB SER 114 -12.711 7.259 -7.926 730 HG SER 114 HG SER 114 -13.064 5.853 -9.875 731 H LYS 115 H LYS 115 -15.573 4.132 -6.821 732 HA LYS 115 HA LYS 115 -17.459 5.834 -5.363 733 HB3 LYS 115 2HB LYS 115 -18.892 4.481 -7.430 734 HG3 LYS 115 2HG LYS 115 -18.350 7.418 -7.471 735 HD3 LYS 115 2HD LYS 115 -20.939 7.254 -7.778 736 HE3 LYS 115 2HE LYS 115 -18.832 6.568 -9.799 737 HZ1 LYS 115 3HZ LYS 115 -20.668 5.564 -10.787 738 HZ2 LYS 115 1HZ LYS 115 -20.668 7.121 -11.450 739 HZ3 LYS 115 2HZ LYS 115 -21.754 6.728 -10.214 Start of MODEL 7 1 H1 MET 1 H MET 1 -13.100 10.751 1.825 2 HA MET 1 HA MET 1 -14.440 8.803 2.725 3 HB3 MET 1 2HB MET 1 -16.659 9.084 1.011 4 HG3 MET 1 2HG MET 1 -16.165 8.813 3.863 5 HE1 MET 1 3HE MET 1 -19.490 8.874 2.286 6 HE2 MET 1 1HE MET 1 -20.445 10.064 3.169 7 HE3 MET 1 2HE MET 1 -19.407 10.579 1.841 8 H ASP 2 H ASP 2 -14.919 10.210 -0.520 9 HA ASP 2 HA ASP 2 -13.853 7.714 -1.659 10 HB3 ASP 2 2HB ASP 2 -16.117 8.160 -2.396 11 H THR 3 H THR 3 -12.298 9.996 -0.618 12 HA THR 3 HA THR 3 -10.925 10.768 -3.112 13 HB THR 3 HB THR 3 -10.162 12.803 -2.012 14 HG1 THR 3 1HG THR 3 -11.417 13.187 0.105 15 HG21 THR 3 3HG2 THR 3 -12.151 14.013 -2.144 16 HG22 THR 3 1HG2 THR 3 -13.112 12.693 -1.481 17 HG23 THR 3 2HG2 THR 3 -12.485 12.587 -3.126 18 H SER 4 H SER 4 -8.611 10.987 -2.993 19 HA SER 4 HA SER 4 -7.341 8.824 -1.749 20 HB3 SER 4 2HB SER 4 -6.344 9.773 -3.708 21 HG SER 4 HG SER 4 -6.170 11.847 -3.980 22 H LYS 5 H LYS 5 -8.158 11.932 -0.556 23 HA LYS 5 HA LYS 5 -6.173 12.220 1.435 24 HB3 LYS 5 2HB LYS 5 -8.526 13.436 2.383 25 HG3 LYS 5 2HG LYS 5 -6.902 15.049 0.550 26 HD3 LYS 5 2HD LYS 5 -6.583 16.163 2.940 27 HE3 LYS 5 2HE LYS 5 -8.756 16.267 0.948 28 HZ1 LYS 5 3HZ LYS 5 -9.941 17.954 2.280 29 HZ2 LYS 5 1HZ LYS 5 -9.031 17.504 3.633 30 HZ3 LYS 5 2HZ LYS 5 -10.087 16.394 2.916 31 H PHE 6 H PHE 6 -9.071 10.331 1.245 32 HA PHE 6 HA PHE 6 -9.252 9.859 4.082 33 HB3 PHE 6 2HB PHE 6 -10.616 8.057 2.151 34 HD1 PHE 6 2HD PHE 6 -12.074 10.760 4.175 35 HD2 PHE 6 1HD PHE 6 -11.212 6.599 3.931 36 HE1 PHE 6 2HE PHE 6 -13.533 10.348 6.113 37 HE2 PHE 6 1HE PHE 6 -12.670 6.180 5.868 38 HZ PHE 6 HZ PHE 6 -13.832 8.056 6.962 39 H TRP 7 H TRP 7 -7.968 8.203 1.262 40 HA TRP 7 HA TRP 7 -7.261 5.853 2.817 41 HB3 TRP 7 2HB TRP 7 -6.094 5.343 0.483 42 HD1 TRP 7 HD TRP 7 -9.218 5.467 -1.151 43 HE1 TRP 7 1HE TRP 7 -10.730 3.458 -0.599 44 HE3 TRP 7 3HE TRP 7 -6.833 3.785 3.046 45 HZ2 TRP 7 2HZ TRP 7 -10.891 1.430 1.358 46 HZ3 TRP 7 3HZ TRP 7 -7.730 1.805 4.199 47 HH2 TRP 7 HH TRP 7 -9.717 0.653 3.371 48 H TYR 8 H TYR 8 -5.935 8.863 2.226 49 HA TYR 8 HA TYR 8 -3.191 7.874 2.629 50 HB3 TYR 8 2HB TYR 8 -4.187 10.480 1.464 51 HD1 TYR 8 1HD TYR 8 -2.926 11.929 3.012 52 HD2 TYR 8 2HD TYR 8 -0.984 8.952 0.673 53 HE1 TYR 8 1HE TYR 8 -0.759 13.009 3.447 54 HE2 TYR 8 2HE TYR 8 1.189 10.023 1.103 55 HH TYR 8 HH TYR 8 1.456 13.138 2.506 56 H LYS 9 H LYS 9 -2.679 7.890 4.716 57 HA LYS 9 HA LYS 9 -3.122 10.348 6.242 58 HB3 LYS 9 2HB LYS 9 -3.622 8.759 8.246 59 HG3 LYS 9 2HG LYS 9 -5.665 9.258 6.092 60 HD3 LYS 9 2HD LYS 9 -6.289 8.788 8.984 61 HE3 LYS 9 2HE LYS 9 -8.266 7.795 7.266 62 HZ1 LYS 9 3HZ LYS 9 -8.057 9.570 9.369 63 HZ2 LYS 9 1HZ LYS 9 -9.480 8.975 8.674 64 HZ3 LYS 9 2HZ LYS 9 -8.821 10.436 8.132 65 HA PRO 10 HA PRO 10 1.209 9.356 6.883 66 HB3 PRO 10 2HB PRO 10 1.660 11.527 6.278 67 HG3 PRO 10 2HG PRO 10 0.103 13.218 6.629 68 HD3 PRO 10 2HD PRO 10 -1.234 11.661 5.580 69 H HIS 11 H HIS 11 -0.980 10.742 9.295 70 HA HIS 11 HA HIS 11 0.658 10.039 11.531 71 HB3 HIS 11 2HB HIS 11 -1.417 10.581 12.855 72 HD1 HIS 11 1HD HIS 11 1.266 12.005 11.476 73 HD2 HIS 11 2HD HIS 11 -2.512 13.586 12.177 74 HE1 HIS 11 1HE HIS 11 1.586 14.498 11.564 75 H LEU 12 H LEU 12 -1.194 8.215 9.453 76 HA LEU 12 HA LEU 12 -2.311 6.343 11.302 77 HB3 LEU 12 2HB LEU 12 -1.712 5.614 8.476 78 HG LEU 12 HG LEU 12 -3.061 4.042 9.799 79 HD11 LEU 12 1HD1 LEU 12 -4.164 5.397 11.371 80 HD12 LEU 12 2HD1 LEU 12 -5.433 4.785 10.310 81 HD13 LEU 12 3HD1 LEU 12 -4.846 6.436 10.119 82 HD21 LEU 12 3HD2 LEU 12 -5.108 5.057 7.971 83 HD22 LEU 12 1HD2 LEU 12 -4.275 3.501 7.997 84 HD23 LEU 12 2HD2 LEU 12 -3.505 4.901 7.248 85 H SER 13 H SER 13 -1.536 4.395 11.986 86 HA SER 13 HA SER 13 1.325 3.944 11.572 87 HB3 SER 13 2HB SER 13 1.256 3.586 13.786 88 HG SER 13 HG SER 13 -0.770 3.426 14.890 89 H ARG 14 H ARG 14 2.102 1.727 11.291 90 HA ARG 14 HA ARG 14 1.000 0.463 9.081 91 HB3 ARG 14 2HB ARG 14 2.544 -1.346 9.504 92 HG3 ARG 14 2HG ARG 14 3.374 1.362 9.545 93 HD3 ARG 14 2HD ARG 14 5.167 -0.457 11.147 94 HE ARG 14 HE ARG 14 5.718 2.360 11.051 95 HH11 ARG 14 1HH1 ARG 14 6.270 -0.718 9.522 96 HH12 ARG 14 2HH1 ARG 14 7.758 -0.231 8.783 97 HH21 ARG 14 1HH2 ARG 14 7.677 3.014 10.082 98 HH22 ARG 14 2HH2 ARG 14 8.559 1.892 9.102 99 H ASP 15 H ASP 15 0.745 -0.446 12.509 100 HA ASP 15 HA ASP 15 -0.787 -2.749 12.200 101 HB3 ASP 15 2HB ASP 15 -1.258 -0.894 14.510 102 H GLN 16 H GLN 16 -1.803 0.629 12.476 103 HA GLN 16 HA GLN 16 -4.573 0.160 12.577 104 HB3 GLN 16 2HB GLN 16 -4.473 2.585 11.412 105 HG3 GLN 16 2HG GLN 16 -3.915 3.519 13.743 106 HE21 GLN 16 1HE2 GLN 16 -5.764 4.506 14.059 107 HE22 GLN 16 2HE2 GLN 16 -7.332 3.784 14.020 108 H ALA 17 H ALA 17 -2.367 0.659 9.860 109 HA ALA 17 HA ALA 17 -4.321 0.762 7.833 110 HB1 ALA 17 1HB ALA 17 -1.394 0.115 7.839 111 HB2 ALA 17 2HB ALA 17 -2.354 0.021 6.362 112 HB3 ALA 17 3HB ALA 17 -2.212 1.552 7.225 113 H ILE 18 H ILE 18 -2.521 -1.929 9.256 114 HA ILE 18 HA ILE 18 -3.432 -3.921 7.475 115 HB ILE 18 HB ILE 18 -2.531 -4.225 10.342 116 HG13 ILE 18 2HG1 ILE 18 -0.952 -3.151 8.614 117 HG21 ILE 18 1HG2 ILE 18 -3.762 -6.173 9.612 118 HG22 ILE 18 2HG2 ILE 18 -2.807 -6.258 8.133 119 HG23 ILE 18 3HG2 ILE 18 -2.042 -6.556 9.693 120 HD11 ILE 18 3HD1 ILE 18 0.977 -4.678 9.238 121 HD12 ILE 18 1HD1 ILE 18 0.099 -3.908 10.559 122 HD13 ILE 18 2HD1 ILE 18 -0.204 -5.601 10.166 123 H ALA 19 H ALA 19 -4.660 -2.759 10.584 124 HA ALA 19 HA ALA 19 -6.731 -4.675 10.834 125 HB1 ALA 19 1HB ALA 19 -7.063 -1.982 12.037 126 HB2 ALA 19 2HB ALA 19 -7.317 -3.579 12.743 127 HB3 ALA 19 3HB ALA 19 -5.681 -2.950 12.549 128 H LEU 20 H LEU 20 -6.537 -1.512 9.310 129 HA LEU 20 HA LEU 20 -9.336 -1.266 8.817 130 HB3 LEU 20 2HB LEU 20 -7.632 0.165 6.952 131 HG LEU 20 HG LEU 20 -9.737 0.886 8.907 132 HD11 LEU 20 1HD1 LEU 20 -8.208 3.174 7.850 133 HD12 LEU 20 2HD1 LEU 20 -7.456 2.282 9.173 134 HD13 LEU 20 3HD1 LEU 20 -9.060 2.983 9.382 135 HD21 LEU 20 3HD2 LEU 20 -9.303 0.893 6.076 136 HD22 LEU 20 1HD2 LEU 20 -9.717 2.519 6.620 137 HD23 LEU 20 2HD2 LEU 20 -10.795 1.169 6.978 138 H LEU 21 H LEU 21 -6.641 -2.685 7.108 139 HA LEU 21 HA LEU 21 -8.027 -2.982 4.616 140 HB3 LEU 21 2HB LEU 21 -6.093 -4.646 4.210 141 HG LEU 21 HG LEU 21 -5.492 -1.737 4.726 142 HD11 LEU 21 1HD1 LEU 21 -3.765 -3.952 3.687 143 HD12 LEU 21 2HD1 LEU 21 -3.385 -2.704 4.874 144 HD13 LEU 21 3HD1 LEU 21 -3.521 -2.284 3.166 145 HD21 LEU 21 3HD2 LEU 21 -5.486 -2.877 2.014 146 HD22 LEU 21 1HD2 LEU 21 -6.126 -1.342 2.604 147 HD23 LEU 21 2HD2 LEU 21 -7.060 -2.823 2.810 148 H LYS 22 H LYS 22 -7.314 -5.074 7.376 149 HA LYS 22 HA LYS 22 -8.484 -7.409 6.233 150 HB3 LYS 22 2HB LYS 22 -6.770 -7.321 8.110 151 HG3 LYS 22 2HG LYS 22 -9.229 -6.827 9.780 152 HD3 LYS 22 2HD LYS 22 -6.377 -7.258 10.660 153 HE3 LYS 22 2HE LYS 22 -8.477 -6.031 11.953 154 HZ1 LYS 22 3HZ LYS 22 -8.306 -8.862 12.823 155 HZ2 LYS 22 1HZ LYS 22 -9.683 -8.033 12.296 156 HZ3 LYS 22 2HZ LYS 22 -8.966 -7.627 13.772 157 H ASP 23 H ASP 23 -9.819 -4.584 7.416 158 HA ASP 23 HA ASP 23 -12.343 -5.921 8.130 159 HB3 ASP 23 2HB ASP 23 -11.594 -3.059 8.734 160 H LYS 24 H LYS 24 -10.919 -4.634 5.538 161 HA LYS 24 HA LYS 24 -13.434 -3.490 4.511 162 HB3 LYS 24 2HB LYS 24 -11.876 -2.234 2.896 163 HG3 LYS 24 2HG LYS 24 -11.074 -0.759 5.054 164 HD3 LYS 24 2HD LYS 24 -13.568 -0.856 3.411 165 HE3 LYS 24 2HE LYS 24 -13.159 1.464 5.210 166 HZ1 LYS 24 3HZ LYS 24 -15.164 1.937 4.440 167 HZ2 LYS 24 1HZ LYS 24 -15.792 0.479 5.024 168 HZ3 LYS 24 2HZ LYS 24 -15.123 0.551 3.472 169 H ASP 25 H ASP 25 -13.397 -3.527 1.999 170 HA ASP 25 HA ASP 25 -13.380 -6.227 1.191 171 HB3 ASP 25 2HB ASP 25 -13.489 -5.001 -1.175 172 HA PRO 26 HA PRO 26 -9.291 -6.968 -0.213 173 HB3 PRO 26 2HB PRO 26 -9.973 -9.098 -0.736 174 HG3 PRO 26 2HG PRO 26 -12.087 -9.499 -1.620 175 HD3 PRO 26 2HD PRO 26 -12.655 -8.190 0.190 176 H GLY 27 H GLY 27 -7.735 -6.296 -1.687 177 HA2 GLY 27 2HA GLY 27 -6.953 -5.370 -3.709 178 HA3 GLY 27 3HA GLY 27 -8.608 -4.971 -4.141 179 H ALA 28 H ALA 28 -8.790 -3.878 -1.244 180 HA ALA 28 HA ALA 28 -8.329 -1.161 -1.950 181 HB1 ALA 28 1HB ALA 28 -8.614 -1.461 0.875 182 HB2 ALA 28 2HB ALA 28 -9.768 -0.822 -0.297 183 HB3 ALA 28 3HB ALA 28 -9.737 -2.549 0.059 184 H PHE 29 H PHE 29 -6.847 0.315 -1.068 185 HA PHE 29 HA PHE 29 -4.613 -0.765 0.472 186 HB3 PHE 29 2HB PHE 29 -4.021 -0.950 -1.948 187 HD1 PHE 29 1HD PHE 29 -5.969 0.227 -3.191 188 HD2 PHE 29 2HD PHE 29 -2.464 2.214 -1.819 189 HE1 PHE 29 1HE PHE 29 -6.375 2.046 -4.797 190 HE2 PHE 29 2HE PHE 29 -2.864 4.035 -3.423 191 HZ PHE 29 HZ PHE 29 -4.822 3.954 -4.914 192 H LEU 30 H LEU 30 -3.079 1.052 1.114 193 HA LEU 30 HA LEU 30 -4.223 3.702 1.198 194 HB3 LEU 30 2HB LEU 30 -5.310 2.352 3.053 195 HG LEU 30 HG LEU 30 -2.920 1.426 3.791 196 HD11 LEU 30 1HD1 LEU 30 -3.156 3.408 5.940 197 HD12 LEU 30 2HD1 LEU 30 -2.560 4.042 4.407 198 HD13 LEU 30 3HD1 LEU 30 -1.722 2.704 5.192 199 HD21 LEU 30 3HD2 LEU 30 -4.432 1.893 6.191 200 HD22 LEU 30 1HD2 LEU 30 -4.200 0.398 5.284 201 HD23 LEU 30 2HD2 LEU 30 -5.510 1.496 4.851 202 H ILE 31 H ILE 31 -2.768 5.283 2.115 203 HA ILE 31 HA ILE 31 0.027 4.348 2.141 204 HB ILE 31 HB ILE 31 -1.023 7.047 1.283 205 HG13 ILE 31 2HG1 ILE 31 -0.943 4.647 -0.136 206 HG21 ILE 31 1HG2 ILE 31 1.391 7.288 0.482 207 HG22 ILE 31 2HG2 ILE 31 1.089 7.445 2.212 208 HG23 ILE 31 3HG2 ILE 31 1.754 5.945 1.566 209 HD11 ILE 31 3HD1 ILE 31 -1.650 7.358 -0.641 210 HD12 ILE 31 1HD1 ILE 31 -0.765 6.720 -2.027 211 HD13 ILE 31 2HD1 ILE 31 -2.210 5.891 -1.445 212 H ARG 32 H ARG 32 1.377 5.019 3.751 213 HA ARG 32 HA ARG 32 0.341 6.916 5.733 214 HB3 ARG 32 2HB ARG 32 -0.210 4.780 6.673 215 HG3 ARG 32 2HG ARG 32 2.029 3.803 5.329 216 HD3 ARG 32 2HD ARG 32 2.328 3.144 8.235 217 HE ARG 32 HE ARG 32 4.634 3.020 6.579 218 HH11 ARG 32 1HH1 ARG 32 1.671 1.359 7.339 219 HH12 ARG 32 2HH1 ARG 32 2.272 -0.199 6.876 220 HH21 ARG 32 1HH2 ARG 32 5.437 0.975 5.966 221 HH22 ARG 32 2HH2 ARG 32 4.415 -0.416 6.096 222 H ASP 33 H ASP 33 2.057 7.642 7.259 223 HA ASP 33 HA ASP 33 4.334 8.513 5.829 224 HB3 ASP 33 2HB ASP 33 4.079 8.516 8.834 225 H SER 34 H SER 34 6.116 7.423 5.367 226 HA SER 34 HA SER 34 6.696 4.916 6.671 227 HB3 SER 34 2HB SER 34 8.462 6.298 4.655 228 HG SER 34 HG SER 34 9.400 4.432 4.708 229 H HIS 35 H HIS 35 7.446 5.159 8.706 230 HA HIS 35 HA HIS 35 9.193 7.241 9.529 231 HB3 HIS 35 2HB HIS 35 9.479 5.141 11.358 232 HD1 HIS 35 1HD HIS 35 9.875 6.881 13.103 233 HD2 HIS 35 2HD HIS 35 6.261 7.422 11.125 234 HE1 HIS 35 1HE HIS 35 8.704 8.732 14.338 235 H SER 36 H SER 36 9.725 4.426 7.765 236 HA SER 36 HA SER 36 12.153 3.449 8.641 237 HB3 SER 36 2HB SER 36 12.548 2.944 6.143 238 HG SER 36 HG SER 36 10.006 2.067 6.917 239 H PHE 37 H PHE 37 11.966 5.561 5.786 240 HA PHE 37 HA PHE 37 14.181 7.156 6.841 241 HB3 PHE 37 2HB PHE 37 14.837 6.927 4.167 242 HD1 PHE 37 2HD PHE 37 16.285 7.966 6.312 243 HD2 PHE 37 1HD PHE 37 16.080 3.910 5.036 244 HE1 PHE 37 2HE PHE 37 18.481 7.537 7.335 245 HE2 PHE 37 1HE PHE 37 18.276 3.475 6.057 246 HZ PHE 37 HZ PHE 37 19.480 5.289 7.208 247 H GLN 38 H GLN 38 14.500 9.182 5.671 248 HA GLN 38 HA GLN 38 12.090 10.542 5.219 249 HB3 GLN 38 2HB GLN 38 13.509 12.400 4.427 250 HG3 GLN 38 2HG GLN 38 14.852 11.052 6.754 251 HE21 GLN 38 1HE2 GLN 38 16.523 12.440 5.408 252 HE22 GLN 38 2HE2 GLN 38 16.722 14.052 5.997 253 H GLY 39 H GLY 39 11.093 11.295 3.352 254 HA2 GLY 39 2HA GLY 39 10.496 11.347 1.129 255 HA3 GLY 39 3HA GLY 39 12.125 10.814 0.738 256 H ALA 40 H ALA 40 10.021 9.023 2.881 257 HA ALA 40 HA ALA 40 9.603 7.024 0.760 258 HB1 ALA 40 1HB ALA 40 9.959 5.245 2.418 259 HB2 ALA 40 2HB ALA 40 11.399 6.238 2.186 260 HB3 ALA 40 3HB ALA 40 10.392 6.466 3.616 261 H TYR 41 H TYR 41 7.693 5.816 0.879 262 HA TYR 41 HA TYR 41 5.735 6.684 2.892 263 HB3 TYR 41 2HB TYR 41 4.076 6.373 0.839 264 HD1 TYR 41 2HD TYR 41 3.656 8.004 2.927 265 HD2 TYR 41 1HD TYR 41 5.849 9.012 -0.578 266 HE1 TYR 41 2HE TYR 41 3.242 10.389 3.359 267 HE2 TYR 41 1HE TYR 41 5.443 11.400 -0.153 268 HH TYR 41 HH TYR 41 3.838 12.495 2.789 269 H GLY 42 H GLY 42 4.588 5.081 3.797 270 HA2 GLY 42 2HA GLY 42 5.179 2.357 2.978 271 HA3 GLY 42 3HA GLY 42 4.311 2.848 4.425 272 H LEU 43 H LEU 43 4.016 1.443 1.422 273 HA LEU 43 HA LEU 43 1.180 2.152 1.163 274 HB3 LEU 43 2HB LEU 43 3.094 0.816 -0.739 275 HG LEU 43 HG LEU 43 0.550 0.159 -0.926 276 HD11 LEU 43 1HD1 LEU 43 -0.449 2.299 -0.887 277 HD12 LEU 43 2HD1 LEU 43 -0.546 1.744 -2.557 278 HD13 LEU 43 3HD1 LEU 43 0.674 2.928 -2.092 279 HD21 LEU 43 3HD2 LEU 43 2.630 -0.087 -2.539 280 HD22 LEU 43 1HD2 LEU 43 1.730 1.097 -3.487 281 HD23 LEU 43 2HD2 LEU 43 0.991 -0.453 -3.080 282 H ALA 44 H ALA 44 -0.342 0.773 1.789 283 HA ALA 44 HA ALA 44 0.402 -2.055 2.161 284 HB1 ALA 44 1HB ALA 44 0.022 -0.892 4.288 285 HB2 ALA 44 2HB ALA 44 -1.606 -0.470 3.757 286 HB3 ALA 44 3HB ALA 44 -1.172 -2.160 4.008 287 H LEU 45 H LEU 45 -0.895 -3.597 1.304 288 HA LEU 45 HA LEU 45 -3.456 -2.774 0.129 289 HB3 LEU 45 2HB LEU 45 -1.150 -4.103 -1.238 290 HG LEU 45 HG LEU 45 -3.057 -5.587 -1.718 291 HD11 LEU 45 1HD1 LEU 45 -5.087 -4.690 -1.802 292 HD12 LEU 45 2HD1 LEU 45 -4.659 -4.060 -3.393 293 HD13 LEU 45 3HD1 LEU 45 -4.435 -3.059 -1.959 294 HD21 LEU 45 3HD2 LEU 45 -1.614 -5.607 -3.494 295 HD22 LEU 45 1HD2 LEU 45 -1.803 -3.882 -3.811 296 HD23 LEU 45 2HD2 LEU 45 -3.073 -5.009 -4.286 297 H LYS 46 H LYS 46 -5.049 -4.328 0.117 298 HA LYS 46 HA LYS 46 -4.480 -6.706 1.735 299 HB3 LYS 46 2HB LYS 46 -7.234 -5.804 0.956 300 HG3 LYS 46 2HG LYS 46 -7.686 -6.554 3.335 301 HD3 LYS 46 2HD LYS 46 -6.828 -9.040 2.193 302 HE3 LYS 46 2HE LYS 46 -9.589 -8.089 1.780 303 HZ1 LYS 46 3HZ LYS 46 -9.630 -10.231 3.410 304 HZ2 LYS 46 1HZ LYS 46 -8.204 -10.499 2.539 305 HZ3 LYS 46 2HZ LYS 46 -9.671 -10.307 1.721 306 H VAL 47 H VAL 47 -4.751 -8.743 0.986 307 HA VAL 47 HA VAL 47 -5.411 -9.023 -1.864 308 HB VAL 47 HB VAL 47 -4.213 -11.129 -1.825 309 HG11 VAL 47 1HG1 VAL 47 -2.285 -9.431 -0.366 310 HG12 VAL 47 2HG1 VAL 47 -2.152 -10.199 -1.949 311 HG13 VAL 47 3HG1 VAL 47 -3.071 -8.704 -1.767 312 HG21 VAL 47 3HG2 VAL 47 -4.147 -12.284 0.077 313 HG22 VAL 47 1HG2 VAL 47 -2.881 -11.183 0.619 314 HG23 VAL 47 2HG2 VAL 47 -4.566 -10.861 1.030 315 H ALA 48 H ALA 48 -6.914 -10.510 -2.574 316 HA ALA 48 HA ALA 48 -8.874 -11.335 -0.584 317 HB1 ALA 48 1HB ALA 48 -10.386 -11.056 -2.194 318 HB2 ALA 48 2HB ALA 48 -9.087 -10.356 -3.160 319 HB3 ALA 48 3HB ALA 48 -9.484 -12.066 -3.324 320 H THR 49 H THR 49 -6.388 -12.693 -2.553 321 HA THR 49 HA THR 49 -7.262 -15.402 -1.788 322 HB THR 49 HB THR 49 -7.343 -15.465 -4.112 323 HG1 THR 49 1HG THR 49 -6.066 -17.146 -4.076 324 HG21 THR 49 3HG2 THR 49 -4.853 -13.762 -4.101 325 HG22 THR 49 1HG2 THR 49 -6.465 -13.302 -4.647 326 HG23 THR 49 2HG2 THR 49 -5.534 -14.495 -5.554 327 HA PRO 50 HA PRO 50 -3.548 -15.823 0.529 328 HB3 PRO 50 2HB PRO 50 -4.483 -17.725 1.415 329 HG3 PRO 50 2HG PRO 50 -5.825 -19.117 0.121 330 HD3 PRO 50 2HD PRO 50 -6.810 -17.082 -0.331 331 HA PRO 51 HA PRO 51 -0.030 -16.156 -2.089 332 HB3 PRO 51 2HB PRO 51 1.273 -15.692 -0.253 333 HG3 PRO 51 2HG PRO 51 0.760 -16.575 1.836 334 HD3 PRO 51 2HD PRO 51 -1.297 -15.712 1.254 335 HA PRO 52 HA PRO 52 0.329 -20.065 -4.068 336 HB3 PRO 52 2HB PRO 52 1.741 -19.072 -5.584 337 HG3 PRO 52 2HG PRO 52 3.301 -17.486 -4.909 338 HD3 PRO 52 2HD PRO 52 1.409 -16.633 -3.905 339 H SER 53 H SER 53 -0.026 -21.143 -1.933 340 HA SER 53 HA SER 53 2.004 -23.106 -1.494 341 HB3 SER 53 2HB SER 53 1.619 -22.157 1.143 342 HG SER 53 HG SER 53 3.504 -23.151 0.509 343 H ALA 54 H ALA 54 -0.952 -21.568 -0.331 344 HA ALA 54 HA ALA 54 -2.943 -22.421 0.370 345 HB1 ALA 54 1HB ALA 54 -3.659 -24.537 -0.465 346 HB2 ALA 54 2HB ALA 54 -2.679 -23.774 -1.718 347 HB3 ALA 54 3HB ALA 54 -1.994 -25.061 -0.726 348 H GLN 55 H GLN 55 -1.775 -22.035 2.500 349 HA GLN 55 HA GLN 55 -1.487 -24.574 3.966 350 HB3 GLN 55 2HB GLN 55 -0.313 -22.862 5.640 351 HG3 GLN 55 2HG GLN 55 1.134 -23.835 3.190 352 HE21 GLN 55 1HE2 GLN 55 3.344 -24.502 3.751 353 HE22 GLN 55 2HE2 GLN 55 4.217 -23.560 4.907 354 HA PRO 56 HA PRO 56 -5.311 -22.458 5.545 355 HB3 PRO 56 2HB PRO 56 -6.661 -23.673 4.139 356 HG3 PRO 56 2HG PRO 56 -5.954 -25.704 3.253 357 HD3 PRO 56 2HD PRO 56 -4.127 -24.393 2.746 358 H TRP 57 H TRP 57 -6.315 -22.710 7.595 359 HA TRP 57 HA TRP 57 -5.580 -24.844 9.359 360 HB3 TRP 57 2HB TRP 57 -4.703 -22.492 10.745 361 HD1 TRP 57 HD TRP 57 -4.449 -24.617 12.459 362 HE1 TRP 57 1HE TRP 57 -2.489 -26.253 12.782 363 HE3 TRP 57 3HE TRP 57 -1.983 -23.806 8.055 364 HZ2 TRP 57 2HZ TRP 57 -0.198 -27.089 11.358 365 HZ3 TRP 57 3HZ TRP 57 0.086 -25.064 7.612 366 HH2 TRP 57 HH TRP 57 0.957 -26.671 9.231 367 H LYS 58 H LYS 58 -6.111 -23.840 11.786 368 HA LYS 58 HA LYS 58 -8.880 -23.639 11.873 369 HB3 LYS 58 2HB LYS 58 -7.520 -22.315 14.108 370 HG3 LYS 58 2HG LYS 58 -8.495 -24.740 14.983 371 HD3 LYS 58 2HD LYS 58 -9.506 -21.942 14.900 372 HE3 LYS 58 2HE LYS 58 -11.494 -23.435 14.583 373 HZ1 LYS 58 3HZ LYS 58 -11.518 -25.310 15.748 374 HZ2 LYS 58 1HZ LYS 58 -11.869 -24.379 17.117 375 HZ3 LYS 58 2HZ LYS 58 -10.270 -24.802 16.770 376 H GLY 59 H GLY 59 -6.482 -21.185 11.381 377 HA2 GLY 59 2HA GLY 59 -8.062 -19.271 10.289 378 HA3 GLY 59 3HA GLY 59 -8.239 -18.983 12.014 379 H ASP 60 H ASP 60 -5.895 -19.166 9.381 380 HA ASP 60 HA ASP 60 -3.628 -18.313 10.757 381 HB3 ASP 60 2HB ASP 60 -3.185 -17.240 8.323 382 HA PRO 61 HA PRO 61 -4.146 -14.047 11.627 383 HB3 PRO 61 2HB PRO 61 -2.007 -14.053 12.463 384 HG3 PRO 61 2HG PRO 61 -0.320 -15.277 11.434 385 HD3 PRO 61 2HD PRO 61 -1.950 -16.900 11.589 386 H VAL 62 H VAL 62 -4.850 -12.210 10.663 387 HA VAL 62 HA VAL 62 -5.362 -12.130 7.920 388 HB VAL 62 HB VAL 62 -6.004 -9.790 8.240 389 HG11 VAL 62 1HG1 VAL 62 -7.380 -11.799 9.073 390 HG12 VAL 62 2HG1 VAL 62 -6.917 -11.260 10.688 391 HG13 VAL 62 3HG1 VAL 62 -7.832 -10.188 9.628 392 HG21 VAL 62 3HG2 VAL 62 -5.707 -9.393 10.994 393 HG22 VAL 62 1HG2 VAL 62 -4.141 -9.972 10.425 394 HG23 VAL 62 2HG2 VAL 62 -4.871 -8.544 9.694 395 H GLU 63 H GLU 63 -2.570 -11.176 9.721 396 HA GLU 63 HA GLU 63 -1.425 -9.272 8.055 397 HB3 GLU 63 2HB GLU 63 0.787 -10.256 8.929 398 HG3 GLU 63 2HG GLU 63 -1.141 -9.653 11.139 399 H GLN 64 H GLN 64 -1.785 -12.688 7.616 400 HA GLN 64 HA GLN 64 0.234 -13.046 5.652 401 HB3 GLN 64 2HB GLN 64 -1.870 -14.902 5.216 402 HG3 GLN 64 2HG GLN 64 0.542 -15.316 6.957 403 HE21 GLN 64 1HE2 GLN 64 1.480 -17.533 5.974 404 HE22 GLN 64 2HE2 GLN 64 0.325 -18.817 6.005 405 H LEU 65 H LEU 65 -3.000 -11.815 5.570 406 HA LEU 65 HA LEU 65 -3.029 -11.892 2.638 407 HB3 LEU 65 2HB LEU 65 -5.389 -11.291 2.822 408 HG LEU 65 HG LEU 65 -4.556 -13.660 4.464 409 HD11 LEU 65 1HD1 LEU 65 -6.597 -12.944 5.491 410 HD12 LEU 65 2HD1 LEU 65 -6.951 -14.328 4.457 411 HD13 LEU 65 3HD1 LEU 65 -7.359 -12.699 3.920 412 HD21 LEU 65 3HD2 LEU 65 -6.172 -14.397 2.328 413 HD22 LEU 65 1HD2 LEU 65 -4.414 -14.528 2.422 414 HD23 LEU 65 2HD2 LEU 65 -5.156 -13.104 1.691 415 H VAL 66 H VAL 66 -1.477 -10.032 4.470 416 HA VAL 66 HA VAL 66 -2.390 -7.532 3.213 417 HB VAL 66 HB VAL 66 -1.273 -7.785 6.008 418 HG11 VAL 66 1HG1 VAL 66 -1.562 -5.537 4.176 419 HG12 VAL 66 2HG1 VAL 66 -2.336 -5.266 5.739 420 HG13 VAL 66 3HG1 VAL 66 -0.621 -5.675 5.661 421 HG21 VAL 66 3HG2 VAL 66 -3.893 -8.167 5.095 422 HG22 VAL 66 1HG2 VAL 66 -3.358 -7.955 6.762 423 HG23 VAL 66 2HG2 VAL 66 -3.867 -6.557 5.815 424 H ARG 67 H ARG 67 -0.898 -6.754 1.889 425 HA ARG 67 HA ARG 67 1.924 -7.424 2.393 426 HB3 ARG 67 2HB ARG 67 1.452 -6.356 -0.240 427 HG3 ARG 67 2HG ARG 67 2.442 -8.963 0.848 428 HD3 ARG 67 2HD ARG 67 2.998 -8.766 -1.918 429 HE ARG 67 HE ARG 67 1.103 -10.766 -1.181 430 HH11 ARG 67 1HH1 ARG 67 4.408 -9.750 -0.777 431 HH12 ARG 67 2HH1 ARG 67 4.996 -11.347 -0.450 432 HH21 ARG 67 1HH2 ARG 67 1.865 -12.873 -0.753 433 HH22 ARG 67 2HH2 ARG 67 3.549 -13.122 -0.438 434 H HIS 68 H HIS 68 3.082 -5.820 3.212 435 HA HIS 68 HA HIS 68 2.412 -3.057 2.434 436 HB3 HIS 68 2HB HIS 68 1.910 -3.289 4.756 437 HD1 HIS 68 1HD HIS 68 2.135 -5.881 5.406 438 HD2 HIS 68 2HD HIS 68 5.522 -3.548 5.992 439 HE1 HIS 68 1HE HIS 68 3.612 -7.215 6.942 440 H PHE 69 H PHE 69 3.934 -1.994 1.357 441 HA PHE 69 HA PHE 69 6.739 -2.809 1.692 442 HB3 PHE 69 2HB PHE 69 6.394 -1.868 -0.964 443 HD1 PHE 69 1HD PHE 69 8.695 -2.800 0.432 444 HD2 PHE 69 2HD PHE 69 5.741 -5.059 -1.638 445 HE1 PHE 69 1HE PHE 69 10.334 -4.598 0.062 446 HE2 PHE 69 2HE PHE 69 7.374 -6.862 -2.010 447 HZ PHE 69 HZ PHE 69 9.674 -6.633 -1.158 448 H LEU 70 H LEU 70 8.285 -1.174 1.437 449 HA LEU 70 HA LEU 70 7.206 1.527 1.780 450 HB3 LEU 70 2HB LEU 70 8.731 0.652 3.496 451 HG LEU 70 HG LEU 70 10.323 -0.340 1.470 452 HD11 LEU 70 1HD1 LEU 70 12.415 0.820 1.575 453 HD12 LEU 70 2HD1 LEU 70 11.776 1.966 2.752 454 HD13 LEU 70 3HD1 LEU 70 11.165 1.968 1.097 455 HD21 LEU 70 3HD2 LEU 70 11.966 -0.353 3.644 456 HD22 LEU 70 1HD2 LEU 70 10.662 -1.504 3.353 457 HD23 LEU 70 2HD2 LEU 70 10.385 -0.103 4.387 458 H ILE 71 H ILE 71 7.274 2.937 0.170 459 HA ILE 71 HA ILE 71 8.990 2.368 -2.138 460 HB ILE 71 HB ILE 71 6.816 4.446 -2.024 461 HG13 ILE 71 2HG1 ILE 71 6.604 1.517 -2.131 462 HG21 ILE 71 1HG2 ILE 71 7.017 4.592 -4.297 463 HG22 ILE 71 2HG2 ILE 71 8.681 4.203 -3.866 464 HG23 ILE 71 3HG2 ILE 71 7.606 2.939 -4.463 465 HD11 ILE 71 3HD1 ILE 71 4.075 2.716 -2.026 466 HD12 ILE 71 1HD1 ILE 71 4.991 1.995 -0.702 467 HD13 ILE 71 2HD1 ILE 71 5.143 3.719 -1.045 468 H GLU 72 H GLU 72 10.595 3.699 -2.775 469 HA GLU 72 HA GLU 72 11.052 6.114 -1.152 470 HB3 GLU 72 2HB GLU 72 13.063 4.361 -2.573 471 HG3 GLU 72 2HG GLU 72 13.371 6.904 -1.035 472 H THR 73 H THR 73 11.504 8.036 -2.140 473 HA THR 73 HA THR 73 11.302 8.067 -5.082 474 HB THR 73 HB THR 73 9.337 9.107 -4.250 475 HG1 THR 73 1HG THR 73 9.576 11.127 -5.146 476 HG21 THR 73 3HG2 THR 73 9.343 9.826 -2.134 477 HG22 THR 73 1HG2 THR 73 10.097 11.304 -2.732 478 HG23 THR 73 2HG2 THR 73 11.099 9.988 -2.121 479 H GLY 74 H GLY 74 13.046 8.772 -6.117 480 HA2 GLY 74 2HA GLY 74 14.816 10.689 -4.735 481 HA3 GLY 74 3HA GLY 74 15.472 9.289 -5.569 482 HA PRO 75 HA PRO 75 15.459 12.905 -8.490 483 HB3 PRO 75 2HB PRO 75 17.580 13.534 -7.871 484 HG3 PRO 75 2HG PRO 75 19.043 12.016 -6.889 485 HD3 PRO 75 2HD PRO 75 17.180 11.680 -5.573 486 H LYS 76 H LYS 76 15.816 9.550 -8.611 487 HA LYS 76 HA LYS 76 15.850 9.541 -11.555 488 HB3 LYS 76 2HB LYS 76 16.465 7.148 -11.355 489 HG3 LYS 76 2HG LYS 76 18.606 7.842 -9.723 490 HD3 LYS 76 2HD LYS 76 18.071 7.836 -12.662 491 HE3 LYS 76 2HE LYS 76 20.870 8.202 -11.828 492 HZ1 LYS 76 3HZ LYS 76 21.036 9.282 -13.883 493 HZ2 LYS 76 1HZ LYS 76 19.372 9.574 -13.978 494 HZ3 LYS 76 2HZ LYS 76 19.965 8.002 -14.165 495 H GLY 77 H GLY 77 13.694 9.594 -9.143 496 HA2 GLY 77 2HA GLY 77 11.351 9.352 -9.874 497 HA3 GLY 77 3HA GLY 77 11.825 7.817 -10.586 498 H VAL 78 H VAL 78 9.740 7.592 -9.046 499 HA VAL 78 HA VAL 78 10.721 6.721 -6.407 500 HB VAL 78 HB VAL 78 8.996 8.428 -6.236 501 HG11 VAL 78 1HG1 VAL 78 7.185 6.524 -7.715 502 HG12 VAL 78 2HG1 VAL 78 6.769 8.125 -7.099 503 HG13 VAL 78 3HG1 VAL 78 7.924 7.960 -8.423 504 HG21 VAL 78 3HG2 VAL 78 8.856 5.819 -5.098 505 HG22 VAL 78 1HG2 VAL 78 8.372 7.361 -4.392 506 HG23 VAL 78 2HG2 VAL 78 7.215 6.422 -5.336 507 H LYS 79 H LYS 79 10.698 4.619 -5.939 508 HA LYS 79 HA LYS 79 8.856 2.832 -7.330 509 HB3 LYS 79 2HB LYS 79 10.918 2.821 -8.676 510 HG3 LYS 79 2HG LYS 79 12.372 3.182 -6.499 511 HD3 LYS 79 2HD LYS 79 13.160 0.387 -6.851 512 HE3 LYS 79 2HE LYS 79 12.556 1.221 -4.165 513 HZ1 LYS 79 3HZ LYS 79 14.718 0.573 -3.776 514 HZ2 LYS 79 1HZ LYS 79 15.263 1.037 -5.309 515 HZ3 LYS 79 2HZ LYS 79 14.328 -0.361 -5.132 516 H ILE 80 H ILE 80 8.723 0.698 -6.323 517 HA ILE 80 HA ILE 80 8.746 0.910 -3.467 518 HB ILE 80 HB ILE 80 8.134 -1.471 -5.222 519 HG13 ILE 80 2HG1 ILE 80 6.702 0.694 -5.349 520 HG21 ILE 80 1HG2 ILE 80 8.028 -1.035 -2.277 521 HG22 ILE 80 2HG2 ILE 80 6.815 -2.066 -3.035 522 HG23 ILE 80 3HG2 ILE 80 8.528 -2.459 -3.188 523 HD11 ILE 80 3HD1 ILE 80 4.543 -0.625 -5.242 524 HD12 ILE 80 1HD1 ILE 80 5.774 -1.199 -6.367 525 HD13 ILE 80 2HD1 ILE 80 5.540 -2.018 -4.822 526 H LYS 81 H LYS 81 10.452 0.558 -2.226 527 HA LYS 81 HA LYS 81 12.871 -0.562 -3.137 528 HB3 LYS 81 2HB LYS 81 13.076 -0.770 -0.431 529 HG3 LYS 81 2HG LYS 81 13.459 1.904 -0.694 530 HD3 LYS 81 2HD LYS 81 15.788 1.168 -1.583 531 HE3 LYS 81 2HE LYS 81 14.486 0.836 0.991 532 HZ1 LYS 81 3HZ LYS 81 15.543 -0.908 1.839 533 HZ2 LYS 81 1HZ LYS 81 17.022 -0.474 1.142 534 HZ3 LYS 81 2HZ LYS 81 15.900 -1.374 0.253 535 H GLY 82 H GLY 82 13.761 -2.571 -2.946 536 HA2 GLY 82 2HA GLY 82 13.861 -4.749 -1.898 537 HA3 GLY 82 3HA GLY 82 12.123 -4.653 -1.652 538 H CYS 83 H CYS 83 12.092 -3.482 -4.529 539 HA CYS 83 HA CYS 83 11.797 -6.092 -5.806 540 HB3 CYS 83 2HB CYS 83 10.890 -3.324 -6.605 541 HG CYS 83 HG CYS 83 10.199 -6.220 -8.293 542 HA PRO 84 HA PRO 84 15.617 -5.640 -7.983 543 HB3 PRO 84 2HB PRO 84 15.628 -7.934 -8.109 544 HG3 PRO 84 2HG PRO 84 13.644 -9.134 -8.281 545 HD3 PRO 84 2HD PRO 84 13.132 -7.777 -6.490 546 H SER 85 H SER 85 12.565 -5.882 -9.778 547 HA SER 85 HA SER 85 13.382 -5.062 -12.277 548 HB3 SER 85 2HB SER 85 10.816 -3.965 -11.202 549 HG SER 85 HG SER 85 10.490 -3.949 -13.266 550 H GLU 86 H GLU 86 12.090 -2.927 -9.724 551 HA GLU 86 HA GLU 86 12.414 -0.721 -9.277 552 HB3 GLU 86 2HB GLU 86 14.729 0.119 -10.404 553 HG3 GLU 86 2HG GLU 86 14.105 -1.280 -7.888 554 HA PRO 87 HA PRO 87 10.848 0.345 -13.512 555 HB3 PRO 87 2HB PRO 87 8.734 -0.387 -12.988 556 HG3 PRO 87 2HG PRO 87 8.029 -0.529 -10.776 557 HD3 PRO 87 2HD PRO 87 10.038 -1.647 -10.624 558 H TYR 88 H TYR 88 10.539 2.160 -10.470 559 HA TYR 88 HA TYR 88 10.870 4.350 -9.952 560 HB3 TYR 88 2HB TYR 88 12.531 5.565 -11.545 561 HD1 TYR 88 1HD TYR 88 12.930 5.705 -8.994 562 HD2 TYR 88 2HD TYR 88 14.237 2.452 -11.405 563 HE1 TYR 88 1HE TYR 88 14.571 5.094 -7.267 564 HE2 TYR 88 2HE TYR 88 15.882 1.832 -9.685 565 HH TYR 88 HH TYR 88 17.125 3.331 -7.702 566 H PHE 89 H PHE 89 8.672 4.863 -10.361 567 HA PHE 89 HA PHE 89 7.985 5.954 -12.968 568 HB3 PHE 89 2HB PHE 89 5.717 6.106 -12.105 569 HD1 PHE 89 1HD PHE 89 5.839 4.347 -13.866 570 HD2 PHE 89 2HD PHE 89 6.603 3.521 -9.761 571 HE1 PHE 89 1HE PHE 89 5.502 1.946 -14.289 572 HE2 PHE 89 2HE PHE 89 6.268 1.120 -10.178 573 HZ PHE 89 HZ PHE 89 5.718 0.329 -12.445 574 H GLY 90 H GLY 90 6.239 7.957 -12.387 575 HA2 GLY 90 2HA GLY 90 7.990 10.151 -11.920 576 HA3 GLY 90 3HA GLY 90 6.249 10.244 -12.137 577 H SER 91 H SER 91 4.928 9.567 -10.216 578 HA SER 91 HA SER 91 6.293 10.123 -7.677 579 HB3 SER 91 2HB SER 91 4.020 11.414 -7.165 580 HG SER 91 HG SER 91 6.051 12.394 -7.045 581 H LEU 92 H LEU 92 4.558 9.823 -5.825 582 HA LEU 92 HA LEU 92 3.938 7.140 -5.661 583 HB3 LEU 92 2HB LEU 92 2.195 8.001 -3.911 584 HG LEU 92 HG LEU 92 4.244 8.978 -2.483 585 HD11 LEU 92 1HD1 LEU 92 3.153 6.317 -3.032 586 HD12 LEU 92 2HD1 LEU 92 3.454 7.130 -1.497 587 HD13 LEU 92 3HD1 LEU 92 4.773 6.313 -2.335 588 HD21 LEU 92 3HD2 LEU 92 5.731 8.967 -4.469 589 HD22 LEU 92 1HD2 LEU 92 5.558 7.213 -4.546 590 HD23 LEU 92 2HD2 LEU 92 6.322 7.963 -3.144 591 H SER 93 H SER 93 1.965 9.798 -6.856 592 HA SER 93 HA SER 93 -0.445 8.310 -7.093 593 HB3 SER 93 2HB SER 93 -0.840 10.268 -8.878 594 HG SER 93 HG SER 93 -1.948 10.151 -6.923 595 H ALA 94 H ALA 94 2.295 8.882 -9.207 596 HA ALA 94 HA ALA 94 1.135 7.890 -11.590 597 HB1 ALA 94 1HB ALA 94 3.293 9.271 -11.253 598 HB2 ALA 94 2HB ALA 94 4.068 7.704 -11.017 599 HB3 ALA 94 3HB ALA 94 3.246 8.061 -12.535 600 H LEU 95 H LEU 95 3.150 6.359 -9.096 601 HA LEU 95 HA LEU 95 3.172 3.805 -10.361 602 HB3 LEU 95 2HB LEU 95 4.953 4.309 -8.888 603 HG LEU 95 HG LEU 95 3.447 5.832 -7.341 604 HD11 LEU 95 1HD1 LEU 95 2.398 3.470 -6.600 605 HD12 LEU 95 2HD1 LEU 95 2.472 4.881 -5.546 606 HD13 LEU 95 3HD1 LEU 95 3.694 3.617 -5.412 607 HD21 LEU 95 3HD2 LEU 95 6.045 4.669 -7.171 608 HD22 LEU 95 1HD2 LEU 95 5.363 4.785 -5.549 609 HD23 LEU 95 2HD2 LEU 95 5.485 6.225 -6.559 610 H VAL 96 H VAL 96 1.114 5.378 -8.006 611 HA VAL 96 HA VAL 96 -0.267 3.059 -7.133 612 HB VAL 96 HB VAL 96 -0.885 5.993 -7.020 613 HG11 VAL 96 1HG1 VAL 96 -2.698 3.707 -6.300 614 HG12 VAL 96 2HG1 VAL 96 -2.855 5.304 -5.566 615 HG13 VAL 96 3HG1 VAL 96 -3.048 5.110 -7.308 616 HG21 VAL 96 3HG2 VAL 96 0.058 5.877 -5.007 617 HG22 VAL 96 1HG2 VAL 96 -0.951 4.505 -4.549 618 HG23 VAL 96 2HG2 VAL 96 0.565 4.238 -5.412 619 H SER 97 H SER 97 -0.886 5.441 -9.674 620 HA SER 97 HA SER 97 -3.411 4.357 -10.429 621 HB3 SER 97 2HB SER 97 -1.498 6.213 -11.859 622 HG SER 97 HG SER 97 -3.391 6.646 -13.170 623 H GLN 98 H GLN 98 -0.100 3.955 -11.591 624 HA GLN 98 HA GLN 98 -0.810 2.301 -13.805 625 HB3 GLN 98 2HB GLN 98 1.653 1.765 -13.823 626 HG3 GLN 98 2HG GLN 98 2.292 4.367 -13.890 627 HE21 GLN 98 1HE2 GLN 98 3.427 3.141 -15.476 628 HE22 GLN 98 2HE2 GLN 98 2.760 2.924 -17.055 629 H HIS 99 H HIS 99 -0.028 1.739 -10.448 630 HA HIS 99 HA HIS 99 0.506 -1.026 -10.609 631 HB3 HIS 99 2HB HIS 99 -0.458 -0.801 -8.107 632 HD1 HIS 99 1HD HIS 99 2.039 -1.932 -9.630 633 HD2 HIS 99 2HD HIS 99 2.093 1.224 -6.926 634 HE1 HIS 99 1HE HIS 99 4.398 -1.828 -8.764 635 H SER 100 H SER 100 -2.375 0.730 -10.980 636 HA SER 100 HA SER 100 -4.076 -1.531 -10.251 637 HB3 SER 100 2HB SER 100 -4.762 1.285 -11.132 638 HG SER 100 HG SER 100 -6.507 0.091 -11.672 639 H ILE 101 H ILE 101 -2.258 -0.942 -12.782 640 HA ILE 101 HA ILE 101 -4.205 -2.077 -14.669 641 HB ILE 101 HB ILE 101 -2.158 0.028 -15.379 642 HG13 ILE 101 2HG1 ILE 101 -4.190 0.812 -14.087 643 HG21 ILE 101 1HG2 ILE 101 -2.396 -1.419 -17.230 644 HG22 ILE 101 2HG2 ILE 101 -4.144 -1.521 -17.020 645 HG23 ILE 101 3HG2 ILE 101 -3.409 -0.018 -17.577 646 HD11 ILE 101 3HD1 ILE 101 -2.991 1.995 -16.257 647 HD12 ILE 101 1HD1 ILE 101 -4.709 2.056 -16.654 648 HD13 ILE 101 2HD1 ILE 101 -4.125 2.761 -15.146 649 H SER 102 H SER 102 -0.832 -1.647 -13.747 650 HA SER 102 HA SER 102 -0.236 -4.281 -14.856 651 HB3 SER 102 2HB SER 102 1.951 -3.307 -15.780 652 HG SER 102 HG SER 102 0.599 -2.303 -17.614 653 HA PRO 103 HA PRO 103 1.542 -3.565 -10.637 654 HB3 PRO 103 2HB PRO 103 -0.287 -4.535 -9.641 655 HG3 PRO 103 2HG PRO 103 -1.647 -6.013 -10.812 656 HD3 PRO 103 2HD PRO 103 -1.562 -4.273 -12.321 657 H ILE 104 H ILE 104 3.606 -4.061 -10.245 658 HA ILE 104 HA ILE 104 4.863 -6.191 -11.790 659 HB ILE 104 HB ILE 104 6.096 -4.063 -10.035 660 HG13 ILE 104 2HG1 ILE 104 4.916 -3.524 -12.324 661 HG21 ILE 104 1HG2 ILE 104 7.314 -6.217 -11.740 662 HG22 ILE 104 2HG2 ILE 104 8.201 -4.770 -11.265 663 HG23 ILE 104 3HG2 ILE 104 7.596 -5.878 -10.033 664 HD11 ILE 104 3HD1 ILE 104 7.085 -2.087 -12.916 665 HD12 ILE 104 1HD1 ILE 104 5.968 -1.663 -11.619 666 HD13 ILE 104 2HD1 ILE 104 7.468 -2.514 -11.249 667 H SER 105 H SER 105 5.494 -5.049 -8.480 668 HA SER 105 HA SER 105 5.866 -7.831 -7.655 669 HB3 SER 105 2HB SER 105 7.472 -5.767 -7.179 670 HG SER 105 HG SER 105 6.598 -5.591 -4.685 671 H LEU 106 H LEU 106 3.220 -6.490 -8.088 672 HA LEU 106 HA LEU 106 2.126 -6.697 -5.366 673 HB3 LEU 106 2HB LEU 106 0.075 -5.652 -6.538 674 HG LEU 106 HG LEU 106 2.585 -4.053 -6.085 675 HD11 LEU 106 1HD1 LEU 106 1.392 -2.052 -6.395 676 HD12 LEU 106 2HD1 LEU 106 -0.155 -2.892 -6.498 677 HD13 LEU 106 3HD1 LEU 106 1.018 -3.041 -7.807 678 HD21 LEU 106 3HD2 LEU 106 1.768 -3.623 -3.996 679 HD22 LEU 106 1HD2 LEU 106 1.110 -5.240 -4.248 680 HD23 LEU 106 2HD2 LEU 106 0.086 -3.825 -4.488 681 HA PRO 107 HA PRO 107 -0.063 -10.386 -6.290 682 HB3 PRO 107 2HB PRO 107 -0.858 -10.330 -4.135 683 HG3 PRO 107 2HG PRO 107 -1.440 -8.318 -3.123 684 HD3 PRO 107 2HD PRO 107 0.653 -7.772 -3.918 685 H CYS 108 H CYS 108 -1.750 -7.351 -6.880 686 HA CYS 108 HA CYS 108 -2.637 -8.149 -9.439 687 HB3 CYS 108 2HB CYS 108 -5.008 -7.741 -7.688 688 HG CYS 108 HG CYS 108 -6.537 -8.564 -9.582 689 H CYS 109 H CYS 109 -4.181 -6.499 -10.386 690 HA CYS 109 HA CYS 109 -3.150 -3.955 -10.182 691 HB3 CYS 109 2HB CYS 109 -4.446 -4.507 -12.098 692 HG CYS 109 HG CYS 109 -7.451 -4.607 -11.829 693 H LEU 110 H LEU 110 -3.132 -2.591 -8.532 694 HA LEU 110 HA LEU 110 -4.556 -2.800 -6.183 695 HB3 LEU 110 2HB LEU 110 -4.149 -0.136 -6.272 696 HG LEU 110 HG LEU 110 -1.888 -2.103 -5.921 697 HD11 LEU 110 1HD1 LEU 110 -1.134 -0.178 -4.361 698 HD12 LEU 110 2HD1 LEU 110 -2.189 0.818 -5.362 699 HD13 LEU 110 3HD1 LEU 110 -0.840 -0.049 -6.096 700 HD21 LEU 110 3HD2 LEU 110 -2.439 -1.756 -3.485 701 HD22 LEU 110 1HD2 LEU 110 -3.607 -2.703 -4.408 702 HD23 LEU 110 2HD2 LEU 110 -3.951 -1.017 -4.017 703 H ARG 111 H ARG 111 -6.517 -2.186 -5.459 704 HA ARG 111 HA ARG 111 -8.399 -1.150 -7.438 705 HB3 ARG 111 2HB ARG 111 -10.138 -1.853 -5.858 706 HG3 ARG 111 2HG ARG 111 -9.682 -4.278 -5.732 707 HD3 ARG 111 2HD ARG 111 -9.476 -4.660 -8.131 708 HE ARG 111 HE ARG 111 -11.435 -3.067 -7.072 709 HH11 ARG 111 1HH1 ARG 111 -9.855 -3.346 -10.161 710 HH12 ARG 111 2HH1 ARG 111 -11.236 -2.812 -11.062 711 HH21 ARG 111 1HH2 ARG 111 -13.259 -2.362 -8.245 712 HH22 ARG 111 2HH2 ARG 111 -13.171 -2.251 -9.971 713 H ILE 112 H ILE 112 -9.180 0.860 -7.388 714 HA ILE 112 HA ILE 112 -8.595 2.508 -5.017 715 HB ILE 112 HB ILE 112 -8.961 3.435 -7.869 716 HG13 ILE 112 2HG1 ILE 112 -6.847 2.124 -7.340 717 HG21 ILE 112 1HG2 ILE 112 -7.826 5.516 -6.690 718 HG22 ILE 112 2HG2 ILE 112 -9.575 5.287 -6.691 719 HG23 ILE 112 3HG2 ILE 112 -8.626 4.837 -5.274 720 HD11 ILE 112 3HD1 ILE 112 -5.966 4.889 -7.919 721 HD12 ILE 112 1HD1 ILE 112 -5.545 3.372 -8.711 722 HD13 ILE 112 2HD1 ILE 112 -7.103 4.133 -9.035 723 HA PRO 113 HA PRO 113 -13.215 2.154 -5.326 724 HB3 PRO 113 2HB PRO 113 -13.258 0.447 -3.788 725 HG3 PRO 113 2HG PRO 113 -11.515 0.148 -2.277 726 HD3 PRO 113 2HD PRO 113 -10.317 0.312 -4.240 727 H SER 114 H SER 114 -14.844 3.387 -3.895 728 HA SER 114 HA SER 114 -13.771 6.086 -3.484 729 HB3 SER 114 2HB SER 114 -15.546 6.598 -4.773 730 HG SER 114 HG SER 114 -17.403 4.918 -4.723 731 H LYS 115 H LYS 115 -13.715 3.752 -1.563 732 HA LYS 115 HA LYS 115 -14.827 5.218 0.722 733 HB3 LYS 115 2HB LYS 115 -14.991 2.217 0.568 734 HG3 LYS 115 2HG LYS 115 -15.596 4.097 2.581 735 HD3 LYS 115 2HD LYS 115 -18.085 2.590 2.152 736 HE3 LYS 115 2HE LYS 115 -17.530 5.459 2.902 737 HZ1 LYS 115 3HZ LYS 115 -19.727 5.584 3.580 738 HZ2 LYS 115 1HZ LYS 115 -19.944 3.906 3.581 739 HZ3 LYS 115 2HZ LYS 115 -19.843 4.745 2.116 Start of MODEL 8 1 H1 MET 1 H MET 1 -17.508 7.105 1.729 2 HA MET 1 HA MET 1 -17.739 7.946 -0.999 3 HB3 MET 1 2HB MET 1 -15.947 9.642 -0.190 4 HG3 MET 1 2HG MET 1 -18.603 9.815 -0.190 5 HE1 MET 1 3HE MET 1 -20.688 11.131 1.862 6 HE2 MET 1 1HE MET 1 -19.746 11.768 3.211 7 HE3 MET 1 2HE MET 1 -19.262 12.123 1.553 8 H ASP 2 H ASP 2 -15.064 6.746 1.015 9 HA ASP 2 HA ASP 2 -13.068 5.788 0.488 10 HB3 ASP 2 2HB ASP 2 -13.002 4.400 -1.581 11 H THR 3 H THR 3 -12.227 8.003 0.431 12 HA THR 3 HA THR 3 -11.382 8.784 -2.283 13 HB THR 3 HB THR 3 -10.990 11.040 -0.759 14 HG1 THR 3 1HG THR 3 -12.814 11.308 0.498 15 HG21 THR 3 3HG2 THR 3 -12.791 10.134 -2.852 16 HG22 THR 3 1HG2 THR 3 -11.977 11.687 -2.660 17 HG23 THR 3 2HG2 THR 3 -13.515 11.389 -1.846 18 H SER 4 H SER 4 -9.273 9.839 -2.422 19 HA SER 4 HA SER 4 -7.241 8.351 -1.225 20 HB3 SER 4 2HB SER 4 -6.538 9.373 -3.174 21 HG SER 4 HG SER 4 -7.408 11.151 -3.889 22 H LYS 5 H LYS 5 -8.739 11.370 -0.259 23 HA LYS 5 HA LYS 5 -6.847 12.111 1.708 24 HB3 LYS 5 2HB LYS 5 -8.520 13.662 0.755 25 HG3 LYS 5 2HG LYS 5 -10.637 12.850 2.611 26 HD3 LYS 5 2HD LYS 5 -11.361 13.207 -0.160 27 HE3 LYS 5 2HE LYS 5 -11.813 14.913 2.288 28 HZ1 LYS 5 3HZ LYS 5 -13.661 14.780 0.016 29 HZ2 LYS 5 1HZ LYS 5 -12.292 15.763 -0.118 30 HZ3 LYS 5 2HZ LYS 5 -13.405 16.032 1.124 31 H PHE 6 H PHE 6 -9.463 9.837 1.675 32 HA PHE 6 HA PHE 6 -9.485 9.567 4.570 33 HB3 PHE 6 2HB PHE 6 -10.948 7.511 3.144 34 HD1 PHE 6 1HD PHE 6 -10.668 7.586 5.889 35 HD2 PHE 6 2HD PHE 6 -13.263 9.972 3.505 36 HE1 PHE 6 1HE PHE 6 -12.153 7.903 7.827 37 HE2 PHE 6 2HE PHE 6 -14.751 10.293 5.437 38 HZ PHE 6 HZ PHE 6 -14.196 9.259 7.601 39 H TRP 7 H TRP 7 -8.093 8.049 1.791 40 HA TRP 7 HA TRP 7 -7.300 5.691 3.324 41 HB3 TRP 7 2HB TRP 7 -6.186 5.206 0.961 42 HD1 TRP 7 HD TRP 7 -9.353 5.174 -0.589 43 HE1 TRP 7 1HE TRP 7 -10.765 3.112 0.030 44 HE3 TRP 7 3HE TRP 7 -6.794 3.656 3.568 45 HZ2 TRP 7 2HZ TRP 7 -10.790 1.109 2.018 46 HZ3 TRP 7 3HZ TRP 7 -7.577 1.658 4.771 47 HH2 TRP 7 HH TRP 7 -9.534 0.412 4.010 48 H TYR 8 H TYR 8 -6.171 8.752 2.822 49 HA TYR 8 HA TYR 8 -3.354 7.915 3.033 50 HB3 TYR 8 2HB TYR 8 -4.581 10.477 2.006 51 HD1 TYR 8 2HD TYR 8 -1.359 8.837 2.898 52 HD2 TYR 8 1HD TYR 8 -3.340 12.445 1.820 53 HE1 TYR 8 2HE TYR 8 0.704 10.097 3.347 54 HE2 TYR 8 1HE TYR 8 -1.281 13.716 2.265 55 HH TYR 8 HH TYR 8 0.845 13.619 2.885 56 H LYS 9 H LYS 9 -2.746 7.865 5.093 57 HA LYS 9 HA LYS 9 -3.253 10.221 6.755 58 HB3 LYS 9 2HB LYS 9 -3.644 8.623 8.711 59 HG3 LYS 9 2HG LYS 9 -6.033 8.157 8.107 60 HD3 LYS 9 2HD LYS 9 -5.368 10.975 7.351 61 HE3 LYS 9 2HE LYS 9 -7.402 9.669 9.153 62 HZ1 LYS 9 3HZ LYS 9 -6.378 12.218 9.384 63 HZ2 LYS 9 1HZ LYS 9 -7.796 11.623 10.090 64 HZ3 LYS 9 2HZ LYS 9 -7.861 12.410 8.594 65 HA PRO 10 HA PRO 10 1.149 9.447 7.160 66 HB3 PRO 10 2HB PRO 10 1.454 11.665 6.647 67 HG3 PRO 10 2HG PRO 10 -0.175 13.247 7.151 68 HD3 PRO 10 2HD PRO 10 -1.471 11.669 6.083 69 H HIS 11 H HIS 11 -0.998 10.589 9.733 70 HA HIS 11 HA HIS 11 0.778 9.868 11.855 71 HB3 HIS 11 2HB HIS 11 -2.120 10.072 12.424 72 HD1 HIS 11 1HD HIS 11 -0.428 13.074 13.362 73 HD2 HIS 11 2HD HIS 11 -0.548 9.190 14.835 74 HE1 HIS 11 1HE HIS 11 0.397 13.227 15.733 75 H LEU 12 H LEU 12 -1.067 8.050 9.770 76 HA LEU 12 HA LEU 12 -2.019 6.039 11.562 77 HB3 LEU 12 2HB LEU 12 -1.497 5.313 8.752 78 HG LEU 12 HG LEU 12 -2.983 3.906 10.103 79 HD11 LEU 12 1HD1 LEU 12 -4.039 5.263 11.641 80 HD12 LEU 12 2HD1 LEU 12 -5.328 4.959 10.477 81 HD13 LEU 12 3HD1 LEU 12 -4.449 6.488 10.439 82 HD21 LEU 12 3HD2 LEU 12 -5.005 4.910 8.305 83 HD22 LEU 12 1HD2 LEU 12 -4.091 3.403 8.243 84 HD23 LEU 12 2HD2 LEU 12 -3.423 4.869 7.525 85 H SER 13 H SER 13 -1.195 3.981 11.944 86 HA SER 13 HA SER 13 1.692 3.723 11.448 87 HB3 SER 13 2HB SER 13 -0.075 2.518 13.586 88 HG SER 13 HG SER 13 2.713 2.233 13.550 89 H ARG 14 H ARG 14 2.475 1.422 11.264 90 HA ARG 14 HA ARG 14 1.401 0.204 9.007 91 HB3 ARG 14 2HB ARG 14 3.177 -0.940 11.166 92 HG3 ARG 14 2HG ARG 14 3.697 -2.181 8.700 93 HD3 ARG 14 2HD ARG 14 3.043 -4.225 9.936 94 HE ARG 14 HE ARG 14 5.110 -2.551 10.679 95 HH11 ARG 14 1HH1 ARG 14 3.132 -4.990 12.183 96 HH12 ARG 14 2HH1 ARG 14 4.361 -5.484 13.300 97 HH21 ARG 14 1HH2 ARG 14 6.736 -3.192 12.145 98 HH22 ARG 14 2HH2 ARG 14 6.410 -4.459 13.278 99 H ASP 15 H ASP 15 1.064 -0.729 12.422 100 HA ASP 15 HA ASP 15 -0.499 -3.004 12.058 101 HB3 ASP 15 2HB ASP 15 -1.294 -1.489 14.410 102 H GLN 16 H GLN 16 -1.459 0.388 12.362 103 HA GLN 16 HA GLN 16 -4.238 -0.033 12.412 104 HB3 GLN 16 2HB GLN 16 -4.328 2.366 11.570 105 HG3 GLN 16 2HG GLN 16 -3.131 3.330 13.575 106 HE21 GLN 16 1HE2 GLN 16 -4.099 3.029 15.797 107 HE22 GLN 16 2HE2 GLN 16 -5.736 2.482 15.860 108 H ALA 17 H ALA 17 -1.980 0.466 9.739 109 HA ALA 17 HA ALA 17 -3.902 0.628 7.682 110 HB1 ALA 17 1HB ALA 17 -1.816 1.391 7.049 111 HB2 ALA 17 2HB ALA 17 -0.978 0.012 7.762 112 HB3 ALA 17 3HB ALA 17 -1.883 -0.186 6.261 113 H ILE 18 H ILE 18 -2.172 -2.107 9.106 114 HA ILE 18 HA ILE 18 -3.076 -4.063 7.278 115 HB ILE 18 HB ILE 18 -2.226 -4.414 10.155 116 HG13 ILE 18 2HG1 ILE 18 -0.610 -3.353 8.439 117 HG21 ILE 18 1HG2 ILE 18 -1.643 -6.689 8.595 118 HG22 ILE 18 2HG2 ILE 18 -2.783 -6.549 9.931 119 HG23 ILE 18 3HG2 ILE 18 -3.323 -6.262 8.277 120 HD11 ILE 18 3HD1 ILE 18 0.491 -4.035 10.334 121 HD12 ILE 18 1HD1 ILE 18 0.016 -5.721 10.135 122 HD13 ILE 18 2HD1 ILE 18 1.259 -5.025 9.094 123 H ALA 19 H ALA 19 -4.342 -2.924 10.380 124 HA ALA 19 HA ALA 19 -6.442 -4.812 10.573 125 HB1 ALA 19 1HB ALA 19 -5.755 -3.691 12.551 126 HB2 ALA 19 2HB ALA 19 -6.054 -2.107 11.834 127 HB3 ALA 19 3HB ALA 19 -7.406 -3.173 12.213 128 H LEU 20 H LEU 20 -6.195 -1.620 9.108 129 HA LEU 20 HA LEU 20 -8.979 -1.355 8.553 130 HB3 LEU 20 2HB LEU 20 -7.144 0.090 6.792 131 HG LEU 20 HG LEU 20 -9.470 0.856 7.180 132 HD11 LEU 20 1HD1 LEU 20 -9.635 2.207 9.425 133 HD12 LEU 20 2HD1 LEU 20 -8.464 1.010 9.977 134 HD13 LEU 20 3HD1 LEU 20 -10.034 0.489 9.367 135 HD21 LEU 20 3HD2 LEU 20 -8.402 2.665 6.385 136 HD22 LEU 20 1HD2 LEU 20 -7.047 2.481 7.499 137 HD23 LEU 20 2HD2 LEU 20 -8.535 3.257 8.042 138 H LEU 21 H LEU 21 -6.249 -2.752 6.884 139 HA LEU 21 HA LEU 21 -7.565 -2.986 4.349 140 HB3 LEU 21 2HB LEU 21 -5.625 -4.716 4.037 141 HG LEU 21 HG LEU 21 -4.982 -1.794 4.431 142 HD11 LEU 21 1HD1 LEU 21 -3.438 -3.966 3.021 143 HD12 LEU 21 2HD1 LEU 21 -2.969 -3.152 4.514 144 HD13 LEU 21 3HD1 LEU 21 -3.047 -2.245 3.002 145 HD21 LEU 21 3HD2 LEU 21 -5.894 -1.406 2.438 146 HD22 LEU 21 1HD2 LEU 21 -6.640 -2.999 2.568 147 HD23 LEU 21 2HD2 LEU 21 -5.105 -2.811 1.721 148 H LYS 22 H LYS 22 -7.011 -5.108 7.113 149 HA LYS 22 HA LYS 22 -8.182 -7.407 5.868 150 HB3 LYS 22 2HB LYS 22 -6.474 -7.422 7.750 151 HG3 LYS 22 2HG LYS 22 -8.919 -6.922 9.435 152 HD3 LYS 22 2HD LYS 22 -6.116 -7.254 10.439 153 HE3 LYS 22 2HE LYS 22 -8.762 -6.881 11.556 154 HZ1 LYS 22 3HZ LYS 22 -9.044 -8.705 12.759 155 HZ2 LYS 22 1HZ LYS 22 -7.442 -8.689 13.302 156 HZ3 LYS 22 2HZ LYS 22 -7.832 -9.454 11.846 157 H ASP 23 H ASP 23 -9.474 -4.592 7.090 158 HA ASP 23 HA ASP 23 -12.018 -5.897 7.791 159 HB3 ASP 23 2HB ASP 23 -11.313 -3.034 8.406 160 H LYS 24 H LYS 24 -10.533 -4.490 5.251 161 HA LYS 24 HA LYS 24 -13.047 -3.346 4.220 162 HB3 LYS 24 2HB LYS 24 -11.163 -2.267 2.591 163 HG3 LYS 24 2HG LYS 24 -12.953 -1.070 3.890 164 HD3 LYS 24 2HD LYS 24 -10.937 -0.323 5.917 165 HE3 LYS 24 2HE LYS 24 -13.153 -0.616 7.292 166 HZ1 LYS 24 3HZ LYS 24 -12.761 1.547 5.295 167 HZ2 LYS 24 1HZ LYS 24 -12.177 1.523 6.883 168 HZ3 LYS 24 2HZ LYS 24 -13.841 1.623 6.595 169 H ASP 25 H ASP 25 -13.297 -3.510 1.845 170 HA ASP 25 HA ASP 25 -13.167 -6.135 0.955 171 HB3 ASP 25 2HB ASP 25 -13.311 -4.840 -1.396 172 HA PRO 26 HA PRO 26 -9.104 -6.822 -0.550 173 HB3 PRO 26 2HB PRO 26 -9.779 -8.953 -1.083 174 HG3 PRO 26 2HG PRO 26 -11.908 -9.361 -1.923 175 HD3 PRO 26 2HD PRO 26 -12.447 -8.079 -0.085 176 H GLY 27 H GLY 27 -7.618 -5.873 -1.857 177 HA2 GLY 27 2HA GLY 27 -6.880 -4.998 -3.959 178 HA3 GLY 27 3HA GLY 27 -8.550 -4.601 -4.339 179 H ALA 28 H ALA 28 -8.710 -3.569 -1.437 180 HA ALA 28 HA ALA 28 -8.250 -0.837 -2.084 181 HB1 ALA 28 1HB ALA 28 -9.893 -2.036 -0.358 182 HB2 ALA 28 2HB ALA 28 -8.588 -1.614 0.752 183 HB3 ALA 28 3HB ALA 28 -9.392 -0.354 -0.185 184 H PHE 29 H PHE 29 -6.767 0.621 -1.171 185 HA PHE 29 HA PHE 29 -4.508 -0.520 0.300 186 HB3 PHE 29 2HB PHE 29 -4.016 -0.482 -2.185 187 HD1 PHE 29 1HD PHE 29 -5.813 0.867 -3.366 188 HD2 PHE 29 2HD PHE 29 -2.391 2.631 -1.549 189 HE1 PHE 29 1HE PHE 29 -6.144 2.895 -4.720 190 HE2 PHE 29 2HE PHE 29 -2.716 4.661 -2.901 191 HZ PHE 29 HZ PHE 29 -4.594 4.796 -4.487 192 H LEU 30 H LEU 30 -2.994 1.276 1.045 193 HA LEU 30 HA LEU 30 -4.209 3.885 1.347 194 HB3 LEU 30 2HB LEU 30 -5.167 2.363 3.143 195 HG LEU 30 HG LEU 30 -2.716 1.482 3.714 196 HD11 LEU 30 1HD1 LEU 30 -2.876 3.231 6.036 197 HD12 LEU 30 2HD1 LEU 30 -2.491 4.087 4.543 198 HD13 LEU 30 3HD1 LEU 30 -1.480 2.743 5.076 199 HD21 LEU 30 3HD2 LEU 30 -4.311 1.841 6.146 200 HD22 LEU 30 1HD2 LEU 30 -3.764 0.364 5.351 201 HD23 LEU 30 2HD2 LEU 30 -5.207 1.197 4.770 202 H ILE 31 H ILE 31 -2.767 5.432 2.382 203 HA ILE 31 HA ILE 31 0.055 4.590 2.249 204 HB ILE 31 HB ILE 31 -1.114 7.265 1.474 205 HG13 ILE 31 2HG1 ILE 31 -0.392 6.706 -0.781 206 HG21 ILE 31 1HG2 ILE 31 1.281 7.662 0.688 207 HG22 ILE 31 2HG2 ILE 31 0.974 7.746 2.423 208 HG23 ILE 31 3HG2 ILE 31 1.719 6.306 1.728 209 HD11 ILE 31 3HD1 ILE 31 0.471 4.051 0.342 210 HD12 ILE 31 1HD1 ILE 31 0.378 4.467 -1.368 211 HD13 ILE 31 2HD1 ILE 31 1.528 5.298 -0.320 212 H ARG 32 H ARG 32 1.421 5.253 3.847 213 HA ARG 32 HA ARG 32 0.387 7.067 5.904 214 HB3 ARG 32 2HB ARG 32 -0.002 4.652 6.551 215 HG3 ARG 32 2HG ARG 32 2.698 4.281 7.523 216 HD3 ARG 32 2HD ARG 32 1.006 2.517 5.763 217 HE ARG 32 HE ARG 32 3.413 2.038 7.267 218 HH11 ARG 32 1HH1 ARG 32 0.527 0.619 5.933 219 HH12 ARG 32 2HH1 ARG 32 1.189 -0.981 5.864 220 HH21 ARG 32 1HH2 ARG 32 4.295 -0.064 7.183 221 HH22 ARG 32 2HH2 ARG 32 3.331 -1.368 6.576 222 H ASP 33 H ASP 33 2.121 7.778 7.421 223 HA ASP 33 HA ASP 33 4.376 8.686 5.954 224 HB3 ASP 33 2HB ASP 33 4.038 8.744 8.955 225 H SER 34 H SER 34 6.171 7.609 5.514 226 HA SER 34 HA SER 34 6.781 5.135 6.871 227 HB3 SER 34 2HB SER 34 8.584 6.461 4.861 228 HG SER 34 HG SER 34 9.397 4.532 4.817 229 H HIS 35 H HIS 35 7.508 5.451 8.909 230 HA HIS 35 HA HIS 35 9.245 7.563 9.675 231 HB3 HIS 35 2HB HIS 35 9.055 5.022 11.246 232 HD1 HIS 35 1HD HIS 35 8.749 8.811 11.462 233 HD2 HIS 35 2HD HIS 35 10.055 5.563 13.699 234 HE1 HIS 35 1HE HIS 35 9.739 9.791 13.555 235 H SER 36 H SER 36 9.793 4.693 8.006 236 HA SER 36 HA SER 36 12.219 3.753 8.924 237 HB3 SER 36 2HB SER 36 12.597 3.312 6.339 238 HG SER 36 HG SER 36 10.909 1.629 6.557 239 H PHE 37 H PHE 37 12.043 5.765 5.999 240 HA PHE 37 HA PHE 37 14.249 7.401 7.013 241 HB3 PHE 37 2HB PHE 37 14.911 7.082 4.347 242 HD1 PHE 37 1HD PHE 37 16.668 8.251 5.786 243 HD2 PHE 37 2HD PHE 37 15.860 4.077 5.998 244 HE1 PHE 37 1HE PHE 37 18.866 7.882 6.827 245 HE2 PHE 37 2HE PHE 37 18.057 3.702 7.039 246 HZ PHE 37 HZ PHE 37 19.564 5.605 7.456 247 H GLN 38 H GLN 38 14.568 9.390 5.784 248 HA GLN 38 HA GLN 38 12.154 10.722 5.268 249 HB3 GLN 38 2HB GLN 38 13.833 12.404 4.117 250 HG3 GLN 38 2HG GLN 38 14.574 12.087 6.945 251 HE21 GLN 38 1HE2 GLN 38 15.923 13.702 5.578 252 HE22 GLN 38 2HE2 GLN 38 15.366 15.337 5.625 253 H GLY 39 H GLY 39 11.173 11.414 3.368 254 HA2 GLY 39 2HA GLY 39 10.620 11.413 1.132 255 HA3 GLY 39 3HA GLY 39 12.245 10.840 0.784 256 H ALA 40 H ALA 40 10.130 9.139 2.974 257 HA ALA 40 HA ALA 40 9.668 7.090 0.909 258 HB1 ALA 40 1HB ALA 40 11.500 6.437 2.456 259 HB2 ALA 40 2HB ALA 40 10.343 6.500 3.786 260 HB3 ALA 40 3HB ALA 40 10.123 5.335 2.480 261 H TYR 41 H TYR 41 7.729 5.962 1.028 262 HA TYR 41 HA TYR 41 5.809 6.858 3.066 263 HB3 TYR 41 2HB TYR 41 4.083 6.698 1.132 264 HD1 TYR 41 1HD TYR 41 6.837 8.931 0.125 265 HD2 TYR 41 2HD TYR 41 3.235 8.568 2.360 266 HE1 TYR 41 1HE TYR 41 6.757 11.377 0.383 267 HE2 TYR 41 2HE TYR 41 3.144 11.012 2.623 268 HH TYR 41 HH TYR 41 5.067 12.938 2.582 269 H GLY 42 H GLY 42 4.639 5.274 3.975 270 HA2 GLY 42 2HA GLY 42 5.187 2.543 3.185 271 HA3 GLY 42 3HA GLY 42 4.261 3.061 4.587 272 H LEU 43 H LEU 43 4.086 1.640 1.577 273 HA LEU 43 HA LEU 43 1.270 2.374 1.195 274 HB3 LEU 43 2HB LEU 43 3.314 1.106 -0.608 275 HG LEU 43 HG LEU 43 1.059 0.052 -1.012 276 HD11 LEU 43 1HD1 LEU 43 -0.082 2.332 -0.509 277 HD12 LEU 43 2HD1 LEU 43 -0.750 1.274 -1.752 278 HD13 LEU 43 3HD1 LEU 43 0.238 2.660 -2.212 279 HD21 LEU 43 3HD2 LEU 43 2.844 0.241 -2.722 280 HD22 LEU 43 1HD2 LEU 43 2.128 1.764 -3.252 281 HD23 LEU 43 2HD2 LEU 43 1.217 0.261 -3.405 282 H ALA 44 H ALA 44 -0.294 1.002 1.729 283 HA ALA 44 HA ALA 44 0.413 -1.828 2.156 284 HB1 ALA 44 1HB ALA 44 -0.754 -1.907 4.100 285 HB2 ALA 44 2HB ALA 44 -0.315 -0.200 4.132 286 HB3 ALA 44 3HB ALA 44 -1.918 -0.686 3.583 287 H LEU 45 H LEU 45 -0.871 -3.373 1.270 288 HA LEU 45 HA LEU 45 -3.346 -2.529 -0.062 289 HB3 LEU 45 2HB LEU 45 -1.120 -4.145 -1.290 290 HG LEU 45 HG LEU 45 -3.148 -5.141 -2.116 291 HD11 LEU 45 1HD1 LEU 45 -4.151 -2.460 -1.892 292 HD12 LEU 45 2HD1 LEU 45 -5.031 -3.972 -2.108 293 HD13 LEU 45 3HD1 LEU 45 -4.437 -3.090 -3.514 294 HD21 LEU 45 3HD2 LEU 45 -1.806 -3.229 -4.007 295 HD22 LEU 45 1HD2 LEU 45 -3.003 -4.409 -4.539 296 HD23 LEU 45 2HD2 LEU 45 -1.501 -4.953 -3.792 297 H LYS 46 H LYS 46 -4.961 -4.065 -0.153 298 HA LYS 46 HA LYS 46 -4.542 -6.402 1.563 299 HB3 LYS 46 2HB LYS 46 -7.076 -5.067 0.597 300 HG3 LYS 46 2HG LYS 46 -7.383 -7.503 0.972 301 HD3 LYS 46 2HD LYS 46 -7.003 -6.991 3.892 302 HE3 LYS 46 2HE LYS 46 -6.271 -9.569 2.745 303 HZ1 LYS 46 3HZ LYS 46 -6.783 -8.992 5.132 304 HZ2 LYS 46 1HZ LYS 46 -7.528 -10.386 4.529 305 HZ3 LYS 46 2HZ LYS 46 -8.415 -8.956 4.691 306 H VAL 47 H VAL 47 -4.546 -8.418 0.790 307 HA VAL 47 HA VAL 47 -5.293 -8.806 -2.034 308 HB VAL 47 HB VAL 47 -3.767 -10.696 -2.092 309 HG11 VAL 47 1HG1 VAL 47 -2.697 -8.068 -1.135 310 HG12 VAL 47 2HG1 VAL 47 -1.607 -9.400 -1.522 311 HG13 VAL 47 3HG1 VAL 47 -2.683 -8.752 -2.760 312 HG21 VAL 47 3HG2 VAL 47 -2.273 -10.380 0.284 313 HG22 VAL 47 1HG2 VAL 47 -3.969 -10.510 0.749 314 HG23 VAL 47 2HG2 VAL 47 -3.224 -11.775 -0.228 315 H ALA 48 H ALA 48 -6.213 -10.898 -2.603 316 HA ALA 48 HA ALA 48 -8.386 -11.596 -0.944 317 HB1 ALA 48 1HB ALA 48 -7.270 -13.195 -3.242 318 HB2 ALA 48 2HB ALA 48 -8.906 -13.269 -2.585 319 HB3 ALA 48 3HB ALA 48 -8.356 -11.815 -3.417 320 H THR 49 H THR 49 -5.369 -13.316 -1.716 321 HA THR 49 HA THR 49 -5.104 -14.431 0.858 322 HB THR 49 HB THR 49 -5.370 -16.879 -0.379 323 HG1 THR 49 1HG THR 49 -7.117 -16.848 -1.643 324 HG21 THR 49 3HG2 THR 49 -7.795 -16.470 0.920 325 HG22 THR 49 1HG2 THR 49 -6.680 -15.357 1.711 326 HG23 THR 49 2HG2 THR 49 -6.305 -17.078 1.640 327 HA PRO 50 HA PRO 50 -1.037 -15.195 -0.604 328 HB3 PRO 50 2HB PRO 50 -0.466 -15.721 1.558 329 HG3 PRO 50 2HG PRO 50 -1.926 -16.900 2.932 330 HD3 PRO 50 2HD PRO 50 -3.347 -15.258 2.159 331 HA PRO 51 HA PRO 51 -0.859 -18.301 -3.711 332 HB3 PRO 51 2HB PRO 51 1.211 -17.487 -4.286 333 HG3 PRO 51 2HG PRO 51 2.715 -16.778 -2.659 334 HD3 PRO 51 2HD PRO 51 0.833 -15.631 -1.986 335 HA PRO 52 HA PRO 52 -1.217 -22.390 -2.135 336 HB3 PRO 52 2HB PRO 52 -1.773 -23.068 -4.258 337 HG3 PRO 52 2HG PRO 52 -0.708 -22.172 -6.121 338 HD3 PRO 52 2HD PRO 52 -1.275 -20.231 -5.016 339 H SER 53 H SER 53 0.298 -22.192 -0.398 340 HA SER 53 HA SER 53 3.047 -23.011 -0.906 341 HB3 SER 53 2HB SER 53 1.712 -22.200 1.689 342 HG SER 53 HG SER 53 4.184 -21.723 1.926 343 H ALA 54 H ALA 54 0.389 -24.697 -0.803 344 HA ALA 54 HA ALA 54 -0.249 -26.792 -0.167 345 HB1 ALA 54 1HB ALA 54 2.736 -27.059 -0.350 346 HB2 ALA 54 2HB ALA 54 1.691 -28.435 0.006 347 HB3 ALA 54 3HB ALA 54 1.509 -27.561 -1.515 348 H GLN 55 H GLN 55 -0.127 -24.926 1.953 349 HA GLN 55 HA GLN 55 0.130 -26.772 4.180 350 HB3 GLN 55 2HB GLN 55 2.320 -25.852 4.248 351 HG3 GLN 55 2HG GLN 55 1.185 -23.072 4.219 352 HE21 GLN 55 1HE2 GLN 55 2.573 -21.697 5.041 353 HE22 GLN 55 2HE2 GLN 55 4.287 -21.899 5.129 354 HA PRO 56 HA PRO 56 -3.538 -23.930 4.348 355 HB3 PRO 56 2HB PRO 56 -4.851 -25.435 3.211 356 HG3 PRO 56 2HG PRO 56 -4.315 -27.697 3.165 357 HD3 PRO 56 2HD PRO 56 -2.280 -26.795 2.566 358 H TRP 57 H TRP 57 -4.204 -23.020 6.204 359 HA TRP 57 HA TRP 57 -3.741 -24.509 8.705 360 HB3 TRP 57 2HB TRP 57 -3.905 -21.690 9.176 361 HD1 TRP 57 HD TRP 57 -3.368 -23.927 11.188 362 HE1 TRP 57 1HE TRP 57 -1.104 -24.171 12.387 363 HE3 TRP 57 3HE TRP 57 -0.426 -21.340 7.902 364 HZ2 TRP 57 2HZ TRP 57 1.575 -23.374 11.993 365 HZ3 TRP 57 3HZ TRP 57 1.977 -21.128 8.387 366 HH2 TRP 57 HH TRP 57 2.954 -22.123 10.390 367 H LYS 58 H LYS 58 -5.965 -22.651 6.814 368 HA LYS 58 HA LYS 58 -8.193 -22.241 7.021 369 HB3 LYS 58 2HB LYS 58 -8.211 -24.184 9.327 370 HG3 LYS 58 2HG LYS 58 -10.303 -24.282 7.279 371 HD3 LYS 58 2HD LYS 58 -11.237 -23.878 9.941 372 HE3 LYS 58 2HE LYS 58 -10.982 -26.465 8.418 373 HZ1 LYS 58 3HZ LYS 58 -13.380 -25.848 9.899 374 HZ2 LYS 58 1HZ LYS 58 -12.003 -26.027 10.865 375 HZ3 LYS 58 2HZ LYS 58 -12.484 -27.281 9.838 376 H GLY 59 H GLY 59 -6.155 -20.796 8.649 377 HA2 GLY 59 2HA GLY 59 -7.813 -19.965 10.936 378 HA3 GLY 59 3HA GLY 59 -6.087 -19.674 10.772 379 H ASP 60 H ASP 60 -5.555 -17.651 10.331 380 HA ASP 60 HA ASP 60 -6.857 -16.116 8.316 381 HB3 ASP 60 2HB ASP 60 -7.316 -14.255 10.200 382 HA PRO 61 HA PRO 61 -2.451 -15.067 9.435 383 HB3 PRO 61 2HB PRO 61 -1.600 -16.774 8.152 384 HG3 PRO 61 2HG PRO 61 -2.839 -17.702 6.418 385 HD3 PRO 61 2HD PRO 61 -4.400 -17.792 8.112 386 H VAL 62 H VAL 62 -3.624 -12.952 9.596 387 HA VAL 62 HA VAL 62 -4.197 -11.306 7.427 388 HB VAL 62 HB VAL 62 -3.193 -10.467 10.151 389 HG11 VAL 62 1HG1 VAL 62 -3.019 -8.665 8.525 390 HG12 VAL 62 2HG1 VAL 62 -4.701 -8.910 8.052 391 HG13 VAL 62 3HG1 VAL 62 -4.315 -8.340 9.676 392 HG21 VAL 62 3HG2 VAL 62 -5.429 -10.412 10.873 393 HG22 VAL 62 1HG2 VAL 62 -6.050 -10.574 9.230 394 HG23 VAL 62 2HG2 VAL 62 -5.266 -11.945 10.016 395 H GLU 63 H GLU 63 -1.152 -12.201 8.808 396 HA GLU 63 HA GLU 63 0.448 -10.067 7.967 397 HB3 GLU 63 2HB GLU 63 1.874 -12.551 7.728 398 HG3 GLU 63 2HG GLU 63 1.916 -10.785 10.140 399 H GLN 64 H GLN 64 -0.597 -12.983 6.274 400 HA GLN 64 HA GLN 64 0.882 -12.233 3.888 401 HB3 GLN 64 2HB GLN 64 -0.887 -14.408 3.389 402 HG3 GLN 64 2HG GLN 64 1.461 -14.014 2.520 403 HE21 GLN 64 1HE2 GLN 64 3.048 -16.392 3.436 404 HE22 GLN 64 2HE2 GLN 64 4.015 -15.792 4.736 405 H LEU 65 H LEU 65 -2.325 -12.031 5.169 406 HA LEU 65 HA LEU 65 -3.678 -11.654 2.686 407 HB3 LEU 65 2HB LEU 65 -5.550 -10.887 4.067 408 HG LEU 65 HG LEU 65 -4.178 -13.387 4.982 409 HD11 LEU 65 1HD1 LEU 65 -6.768 -13.458 5.996 410 HD12 LEU 65 2HD1 LEU 65 -6.137 -11.881 6.471 411 HD13 LEU 65 3HD1 LEU 65 -5.267 -13.349 6.917 412 HD21 LEU 65 3HD2 LEU 65 -6.704 -12.759 3.465 413 HD22 LEU 65 1HD2 LEU 65 -6.253 -14.377 4.004 414 HD23 LEU 65 2HD2 LEU 65 -5.238 -13.518 2.846 415 H VAL 66 H VAL 66 -1.687 -9.676 4.608 416 HA VAL 66 HA VAL 66 -2.512 -7.317 3.049 417 HB VAL 66 HB VAL 66 -1.647 -7.321 5.944 418 HG11 VAL 66 1HG1 VAL 66 -2.535 -4.829 5.511 419 HG12 VAL 66 2HG1 VAL 66 -0.842 -5.296 5.333 420 HG13 VAL 66 3HG1 VAL 66 -1.884 -5.189 3.912 421 HG21 VAL 66 3HG2 VAL 66 -3.845 -7.908 6.122 422 HG22 VAL 66 1HG2 VAL 66 -4.029 -6.158 6.010 423 HG23 VAL 66 2HG2 VAL 66 -4.283 -7.164 4.583 424 H ARG 67 H ARG 67 -0.925 -6.526 1.844 425 HA ARG 67 HA ARG 67 1.851 -7.177 2.578 426 HB3 ARG 67 2HB ARG 67 1.730 -6.255 -0.095 427 HG3 ARG 67 2HG ARG 67 2.830 -8.410 1.298 428 HD3 ARG 67 2HD ARG 67 1.310 -9.392 -1.108 429 HE ARG 67 HE ARG 67 2.913 -11.006 -0.841 430 HH11 ARG 67 1HH1 ARG 67 1.672 -10.090 2.281 431 HH12 ARG 67 2HH1 ARG 67 2.496 -11.359 3.125 432 HH21 ARG 67 1HH2 ARG 67 4.003 -12.680 0.261 433 HH22 ARG 67 2HH2 ARG 67 3.822 -12.831 1.975 434 H HIS 68 H HIS 68 2.948 -5.537 3.410 435 HA HIS 68 HA HIS 68 2.355 -2.815 2.450 436 HB3 HIS 68 2HB HIS 68 1.641 -3.106 4.775 437 HD1 HIS 68 1HD HIS 68 2.116 -5.436 5.849 438 HD2 HIS 68 2HD HIS 68 5.320 -2.792 5.959 439 HE1 HIS 68 1HE HIS 68 3.749 -6.425 7.487 440 H PHE 69 H PHE 69 3.979 -1.808 1.472 441 HA PHE 69 HA PHE 69 6.735 -2.603 2.118 442 HB3 PHE 69 2HB PHE 69 7.195 -2.156 -0.386 443 HD1 PHE 69 2HD PHE 69 8.095 -4.141 1.353 444 HD2 PHE 69 1HD PHE 69 4.901 -4.395 -1.449 445 HE1 PHE 69 2HE PHE 69 8.381 -6.582 1.253 446 HE2 PHE 69 1HE PHE 69 5.181 -6.836 -1.553 447 HZ PHE 69 HZ PHE 69 6.924 -7.933 -0.202 448 H LEU 70 H LEU 70 8.346 -0.981 1.666 449 HA LEU 70 HA LEU 70 7.265 1.722 1.982 450 HB3 LEU 70 2HB LEU 70 8.776 1.230 3.698 451 HG LEU 70 HG LEU 70 10.424 -0.142 1.652 452 HD11 LEU 70 1HD1 LEU 70 11.512 1.723 3.671 453 HD12 LEU 70 2HD1 LEU 70 12.182 1.200 2.126 454 HD13 LEU 70 3HD1 LEU 70 12.296 0.149 3.537 455 HD21 LEU 70 3HD2 LEU 70 9.393 -0.592 4.385 456 HD22 LEU 70 1HD2 LEU 70 10.959 -1.309 4.002 457 HD23 LEU 70 2HD2 LEU 70 9.545 -1.708 3.026 458 H ILE 71 H ILE 71 7.257 3.089 0.334 459 HA ILE 71 HA ILE 71 8.903 2.481 -2.017 460 HB ILE 71 HB ILE 71 6.663 4.492 -1.857 461 HG13 ILE 71 2HG1 ILE 71 5.828 2.251 -1.252 462 HG21 ILE 71 1HG2 ILE 71 7.753 3.040 -4.256 463 HG22 ILE 71 2HG2 ILE 71 6.678 4.438 -4.225 464 HG23 ILE 71 3HG2 ILE 71 8.359 4.608 -3.719 465 HD11 ILE 71 3HD1 ILE 71 3.993 2.883 -2.311 466 HD12 ILE 71 1HD1 ILE 71 4.922 3.729 -3.549 467 HD13 ILE 71 2HD1 ILE 71 4.587 2.005 -3.720 468 H GLU 72 H GLU 72 10.461 3.822 -2.741 469 HA GLU 72 HA GLU 72 10.920 6.293 -1.205 470 HB3 GLU 72 2HB GLU 72 13.305 5.710 -2.478 471 HG3 GLU 72 2HG GLU 72 12.630 4.687 0.263 472 H THR 73 H THR 73 11.012 8.185 -2.254 473 HA THR 73 HA THR 73 11.027 8.121 -5.203 474 HB THR 73 HB THR 73 8.823 8.778 -4.343 475 HG1 THR 73 1HG THR 73 9.623 9.763 -6.276 476 HG21 THR 73 3HG2 THR 73 10.175 10.003 -2.318 477 HG22 THR 73 1HG2 THR 73 8.480 10.290 -2.709 478 HG23 THR 73 2HG2 THR 73 9.725 11.379 -3.323 479 H GLY 74 H GLY 74 12.484 9.364 -6.231 480 HA2 GLY 74 2HA GLY 74 13.729 11.607 -4.842 481 HA3 GLY 74 3HA GLY 74 14.791 10.279 -5.288 482 HA PRO 75 HA PRO 75 14.706 13.309 -8.796 483 HB3 PRO 75 2HB PRO 75 16.572 14.390 -8.004 484 HG3 PRO 75 2HG PRO 75 18.061 13.320 -6.573 485 HD3 PRO 75 2HD PRO 75 16.075 12.864 -5.494 486 H LYS 76 H LYS 76 15.579 10.090 -8.267 487 HA LYS 76 HA LYS 76 16.154 9.638 -11.116 488 HB3 LYS 76 2HB LYS 76 16.984 7.414 -10.385 489 HG3 LYS 76 2HG LYS 76 18.652 8.741 -8.554 490 HD3 LYS 76 2HD LYS 76 19.971 8.981 -10.882 491 HE3 LYS 76 2HE LYS 76 19.874 7.148 -8.778 492 HZ1 LYS 76 3HZ LYS 76 20.538 5.119 -10.203 493 HZ2 LYS 76 1HZ LYS 76 19.572 5.834 -11.393 494 HZ3 LYS 76 2HZ LYS 76 18.900 5.410 -9.900 495 H GLY 77 H GLY 77 13.591 9.698 -9.112 496 HA2 GLY 77 2HA GLY 77 11.455 9.036 -10.121 497 HA3 GLY 77 3HA GLY 77 12.234 7.536 -10.601 498 H VAL 78 H VAL 78 9.978 7.132 -9.369 499 HA VAL 78 HA VAL 78 10.629 6.621 -6.541 500 HB VAL 78 HB VAL 78 8.683 8.067 -6.823 501 HG11 VAL 78 1HG1 VAL 78 7.371 5.771 -8.270 502 HG12 VAL 78 2HG1 VAL 78 6.696 7.373 -7.961 503 HG13 VAL 78 3HG1 VAL 78 8.052 7.185 -9.074 504 HG21 VAL 78 3HG2 VAL 78 8.756 6.492 -4.939 505 HG22 VAL 78 1HG2 VAL 78 7.104 6.806 -5.469 506 HG23 VAL 78 2HG2 VAL 78 7.901 5.297 -5.914 507 H LYS 79 H LYS 79 10.851 4.582 -5.897 508 HA LYS 79 HA LYS 79 9.670 2.444 -7.538 509 HB3 LYS 79 2HB LYS 79 12.124 2.661 -7.935 510 HG3 LYS 79 2HG LYS 79 13.139 1.341 -5.679 511 HD3 LYS 79 2HD LYS 79 13.980 3.227 -7.403 512 HE3 LYS 79 2HE LYS 79 12.978 4.634 -5.002 513 HZ1 LYS 79 3HZ LYS 79 14.705 6.330 -5.210 514 HZ2 LYS 79 1HZ LYS 79 15.561 5.342 -6.285 515 HZ3 LYS 79 2HZ LYS 79 15.345 4.857 -4.679 516 H ILE 80 H ILE 80 9.075 0.541 -6.425 517 HA ILE 80 HA ILE 80 8.511 1.001 -3.592 518 HB ILE 80 HB ILE 80 7.473 -1.240 -5.324 519 HG13 ILE 80 2HG1 ILE 80 6.677 1.602 -5.124 520 HG21 ILE 80 1HG2 ILE 80 7.031 -0.340 -2.552 521 HG22 ILE 80 2HG2 ILE 80 5.590 -0.805 -3.455 522 HG23 ILE 80 3HG2 ILE 80 6.914 -1.952 -3.256 523 HD11 ILE 80 3HD1 ILE 80 7.330 0.814 -7.267 524 HD12 ILE 80 1HD1 ILE 80 6.237 -0.566 -7.158 525 HD13 ILE 80 2HD1 ILE 80 5.585 1.067 -7.299 526 H LYS 81 H LYS 81 9.756 0.120 -2.092 527 HA LYS 81 HA LYS 81 11.842 -1.697 -2.668 528 HB3 LYS 81 2HB LYS 81 10.748 -1.361 0.101 529 HG3 LYS 81 2HG LYS 81 13.256 -0.955 0.501 530 HD3 LYS 81 2HD LYS 81 13.411 -3.664 -0.162 531 HE3 LYS 81 2HE LYS 81 12.117 -2.943 2.392 532 HZ1 LYS 81 3HZ LYS 81 14.673 -4.020 2.669 533 HZ2 LYS 81 1HZ LYS 81 13.913 -4.868 1.418 534 HZ3 LYS 81 2HZ LYS 81 13.189 -4.782 2.944 535 H GLY 82 H GLY 82 11.721 -3.809 -3.018 536 HA2 GLY 82 2HA GLY 82 10.666 -5.746 -1.436 537 HA3 GLY 82 3HA GLY 82 9.301 -5.267 -2.436 538 H CYS 83 H CYS 83 11.076 -4.659 -4.727 539 HA CYS 83 HA CYS 83 12.106 -7.302 -5.423 540 HB3 CYS 83 2HB CYS 83 9.918 -7.526 -6.281 541 HG CYS 83 HG CYS 83 9.267 -4.643 -5.971 542 HA PRO 84 HA PRO 84 15.278 -5.074 -7.475 543 HB3 PRO 84 2HB PRO 84 16.297 -7.097 -7.861 544 HG3 PRO 84 2HG PRO 84 15.048 -8.989 -8.379 545 HD3 PRO 84 2HD PRO 84 13.911 -8.263 -6.509 546 H SER 85 H SER 85 12.283 -5.620 -8.948 547 HA SER 85 HA SER 85 12.570 -4.805 -11.561 548 HB3 SER 85 2HB SER 85 10.218 -3.747 -11.177 549 HG SER 85 HG SER 85 10.906 -6.458 -10.804 550 H GLU 86 H GLU 86 11.328 -2.550 -9.106 551 HA GLU 86 HA GLU 86 11.544 -0.295 -8.879 552 HB3 GLU 86 2HB GLU 86 14.339 -0.909 -9.856 553 HG3 GLU 86 2HG GLU 86 14.174 1.250 -7.980 554 HA PRO 87 HA PRO 87 10.808 0.353 -13.420 555 HB3 PRO 87 2HB PRO 87 8.635 -0.373 -13.251 556 HG3 PRO 87 2HG PRO 87 7.514 -0.339 -11.213 557 HD3 PRO 87 2HD PRO 87 9.460 -1.400 -10.578 558 H TYR 88 H TYR 88 11.357 2.165 -10.717 559 HA TYR 88 HA TYR 88 11.498 4.416 -10.247 560 HB3 TYR 88 2HB TYR 88 13.577 4.230 -11.292 561 HD1 TYR 88 2HD TYR 88 12.035 5.342 -14.436 562 HD2 TYR 88 1HD TYR 88 14.008 2.151 -12.430 563 HE1 TYR 88 2HE TYR 88 12.383 4.211 -16.591 564 HE2 TYR 88 1HE TYR 88 14.361 1.010 -14.580 565 HH TYR 88 HH TYR 88 12.953 2.232 -17.562 566 H PHE 89 H PHE 89 9.003 4.324 -10.620 567 HA PHE 89 HA PHE 89 7.899 5.510 -12.929 568 HB3 PHE 89 2HB PHE 89 5.968 6.036 -11.246 569 HD1 PHE 89 2HD PHE 89 5.657 4.900 -13.640 570 HD2 PHE 89 1HD PHE 89 6.432 2.826 -10.005 571 HE1 PHE 89 2HE PHE 89 4.683 2.856 -14.602 572 HE2 PHE 89 1HE PHE 89 5.459 0.778 -10.962 573 HZ PHE 89 HZ PHE 89 4.582 0.792 -13.263 574 H GLY 90 H GLY 90 6.363 7.587 -12.350 575 HA2 GLY 90 2HA GLY 90 8.282 9.738 -12.066 576 HA3 GLY 90 3HA GLY 90 6.589 9.897 -12.512 577 H SER 91 H SER 91 5.175 8.949 -10.502 578 HA SER 91 HA SER 91 6.211 9.991 -7.985 579 HB3 SER 91 2HB SER 91 4.971 11.862 -7.913 580 HG SER 91 HG SER 91 3.966 12.470 -9.985 581 H LEU 92 H LEU 92 4.415 9.736 -6.239 582 HA LEU 92 HA LEU 92 3.853 7.045 -5.929 583 HB3 LEU 92 2HB LEU 92 2.016 8.016 -4.309 584 HG LEU 92 HG LEU 92 4.929 8.612 -3.796 585 HD11 LEU 92 1HD1 LEU 92 4.191 9.604 -1.952 586 HD12 LEU 92 2HD1 LEU 92 3.630 8.021 -1.416 587 HD13 LEU 92 3HD1 LEU 92 2.529 9.105 -2.266 588 HD21 LEU 92 3HD2 LEU 92 4.966 6.346 -4.067 589 HD22 LEU 92 1HD2 LEU 92 3.273 6.150 -3.615 590 HD23 LEU 92 2HD2 LEU 92 4.490 6.433 -2.372 591 H SER 93 H SER 93 1.868 9.597 -7.324 592 HA SER 93 HA SER 93 -0.500 8.041 -7.556 593 HB3 SER 93 2HB SER 93 -0.769 9.941 -9.498 594 HG SER 93 HG SER 93 -1.565 11.259 -7.666 595 H ALA 94 H ALA 94 2.286 8.587 -9.617 596 HA ALA 94 HA ALA 94 1.221 7.456 -11.982 597 HB1 ALA 94 1HB ALA 94 3.294 7.756 -12.894 598 HB2 ALA 94 2HB ALA 94 3.396 8.879 -11.537 599 HB3 ALA 94 3HB ALA 94 4.136 7.283 -11.418 600 H LEU 95 H LEU 95 3.189 6.095 -9.357 601 HA LEU 95 HA LEU 95 3.313 3.486 -10.503 602 HB3 LEU 95 2HB LEU 95 5.038 4.123 -9.005 603 HG LEU 95 HG LEU 95 3.451 5.644 -7.556 604 HD11 LEU 95 1HD1 LEU 95 2.038 4.391 -6.344 605 HD12 LEU 95 2HD1 LEU 95 3.428 4.171 -5.282 606 HD13 LEU 95 3HD1 LEU 95 3.036 2.943 -6.484 607 HD21 LEU 95 3HD2 LEU 95 6.062 4.545 -7.249 608 HD22 LEU 95 1HD2 LEU 95 5.314 4.684 -5.658 609 HD23 LEU 95 2HD2 LEU 95 5.444 6.103 -6.698 610 H VAL 96 H VAL 96 1.128 5.129 -8.331 611 HA VAL 96 HA VAL 96 -0.212 2.818 -7.361 612 HB VAL 96 HB VAL 96 -0.829 5.743 -7.379 613 HG11 VAL 96 1HG1 VAL 96 -2.779 3.521 -6.960 614 HG12 VAL 96 2HG1 VAL 96 -2.923 5.001 -6.012 615 HG13 VAL 96 3HG1 VAL 96 -2.999 5.071 -7.773 616 HG21 VAL 96 3HG2 VAL 96 -1.202 4.475 -4.872 617 HG22 VAL 96 1HG2 VAL 96 0.292 3.854 -5.573 618 HG23 VAL 96 2HG2 VAL 96 0.075 5.591 -5.356 619 H SER 97 H SER 97 -0.821 5.052 -10.037 620 HA SER 97 HA SER 97 -3.284 3.843 -10.812 621 HB3 SER 97 2HB SER 97 -2.572 5.126 -13.053 622 HG SER 97 HG SER 97 -3.150 6.726 -10.817 623 H GLN 98 H GLN 98 0.073 3.514 -11.854 624 HA GLN 98 HA GLN 98 -0.506 1.742 -14.015 625 HB3 GLN 98 2HB GLN 98 2.108 1.247 -13.422 626 HG3 GLN 98 2HG GLN 98 2.728 2.965 -15.005 627 HE21 GLN 98 1HE2 GLN 98 -0.008 3.365 -16.599 628 HE22 GLN 98 2HE2 GLN 98 -0.101 1.884 -17.483 629 H HIS 99 H HIS 99 0.150 1.357 -10.612 630 HA HIS 99 HA HIS 99 0.825 -1.375 -10.604 631 HB3 HIS 99 2HB HIS 99 -0.357 -1.072 -8.189 632 HD1 HIS 99 1HD HIS 99 2.672 -0.454 -10.196 633 HD2 HIS 99 2HD HIS 99 1.657 -0.727 -6.176 634 HE1 HIS 99 1HE HIS 99 4.851 -0.711 -8.968 635 H SER 100 H SER 100 -2.121 0.195 -11.234 636 HA SER 100 HA SER 100 -3.754 -2.105 -10.497 637 HB3 SER 100 2HB SER 100 -4.515 0.576 -11.683 638 HG SER 100 HG SER 100 -6.072 -0.971 -12.191 639 H ILE 101 H ILE 101 -1.786 -1.496 -12.961 640 HA ILE 101 HA ILE 101 -3.497 -2.929 -14.882 641 HB ILE 101 HB ILE 101 -1.499 -0.788 -15.618 642 HG13 ILE 101 2HG1 ILE 101 -3.535 0.109 -14.510 643 HG21 ILE 101 1HG2 ILE 101 -1.562 -1.697 -17.642 644 HG22 ILE 101 2HG2 ILE 101 -2.746 -2.890 -17.110 645 HG23 ILE 101 3HG2 ILE 101 -3.284 -1.325 -17.718 646 HD11 ILE 101 3HD1 ILE 101 -3.781 0.712 -17.430 647 HD12 ILE 101 1HD1 ILE 101 -4.063 1.772 -16.049 648 HD13 ILE 101 2HD1 ILE 101 -2.419 1.295 -16.474 649 H SER 102 H SER 102 -0.232 -2.219 -13.754 650 HA SER 102 HA SER 102 0.608 -4.849 -14.753 651 HB3 SER 102 2HB SER 102 2.216 -2.294 -15.009 652 HG SER 102 HG SER 102 3.805 -3.552 -15.806 653 HA PRO 103 HA PRO 103 1.618 -4.270 -10.264 654 HB3 PRO 103 2HB PRO 103 -0.323 -5.323 -9.629 655 HG3 PRO 103 2HG PRO 103 -1.423 -6.782 -11.068 656 HD3 PRO 103 2HD PRO 103 -1.137 -4.977 -12.474 657 H ILE 104 H ILE 104 3.603 -4.732 -9.553 658 HA ILE 104 HA ILE 104 4.992 -7.061 -10.708 659 HB ILE 104 HB ILE 104 6.201 -4.474 -9.722 660 HG13 ILE 104 2HG1 ILE 104 5.036 -4.235 -11.871 661 HG21 ILE 104 1HG2 ILE 104 8.133 -5.550 -9.571 662 HG22 ILE 104 2HG2 ILE 104 7.331 -7.060 -10.002 663 HG23 ILE 104 3HG2 ILE 104 8.004 -6.028 -11.263 664 HD11 ILE 104 3HD1 ILE 104 7.502 -4.212 -13.205 665 HD12 ILE 104 1HD1 ILE 104 6.652 -2.855 -12.469 666 HD13 ILE 104 2HD1 ILE 104 7.831 -3.771 -11.530 667 H SER 105 H SER 105 5.617 -4.931 -7.926 668 HA SER 105 HA SER 105 6.612 -7.026 -6.313 669 HB3 SER 105 2HB SER 105 6.717 -4.312 -6.176 670 HG SER 105 HG SER 105 5.239 -3.563 -4.899 671 H LEU 106 H LEU 106 3.426 -5.836 -6.914 672 HA LEU 106 HA LEU 106 2.314 -7.197 -4.587 673 HB3 LEU 106 2HB LEU 106 0.420 -5.969 -4.882 674 HG LEU 106 HG LEU 106 2.581 -4.385 -5.170 675 HD11 LEU 106 1HD1 LEU 106 1.852 -4.682 -7.775 676 HD12 LEU 106 2HD1 LEU 106 2.741 -3.305 -7.124 677 HD13 LEU 106 3HD1 LEU 106 0.993 -3.207 -7.328 678 HD21 LEU 106 3HD2 LEU 106 -0.266 -3.425 -5.414 679 HD22 LEU 106 1HD2 LEU 106 1.107 -2.531 -4.762 680 HD23 LEU 106 2HD2 LEU 106 0.492 -3.947 -3.908 681 HA PRO 107 HA PRO 107 1.086 -10.855 -6.678 682 HB3 PRO 107 2HB PRO 107 0.282 -11.603 -4.660 683 HG3 PRO 107 2HG PRO 107 -0.759 -10.152 -3.171 684 HD3 PRO 107 2HD PRO 107 1.155 -8.951 -3.622 685 H CYS 108 H CYS 108 -1.560 -8.498 -6.314 686 HA CYS 108 HA CYS 108 -2.306 -9.021 -9.105 687 HB3 CYS 108 2HB CYS 108 -4.547 -8.387 -7.298 688 HG CYS 108 HG CYS 108 -4.269 -10.899 -9.603 689 H CYS 109 H CYS 109 -3.537 -7.274 -10.100 690 HA CYS 109 HA CYS 109 -2.381 -4.788 -9.795 691 HB3 CYS 109 2HB CYS 109 -3.686 -5.541 -11.777 692 HG CYS 109 HG CYS 109 -6.044 -6.222 -9.815 693 H LEU 110 H LEU 110 -2.834 -2.945 -8.676 694 HA LEU 110 HA LEU 110 -4.335 -3.217 -6.259 695 HB3 LEU 110 2HB LEU 110 -2.966 -0.855 -7.532 696 HG LEU 110 HG LEU 110 -4.443 -0.997 -4.955 697 HD11 LEU 110 1HD1 LEU 110 -1.662 -0.166 -5.206 698 HD12 LEU 110 2HD1 LEU 110 -2.628 -0.478 -3.765 699 HD13 LEU 110 3HD1 LEU 110 -2.714 1.094 -4.560 700 HD21 LEU 110 3HD2 LEU 110 -4.668 0.465 -7.276 701 HD22 LEU 110 1HD2 LEU 110 -3.867 1.583 -6.172 702 HD23 LEU 110 2HD2 LEU 110 -5.412 0.860 -5.726 703 H ARG 111 H ARG 111 -6.203 -2.123 -5.629 704 HA ARG 111 HA ARG 111 -7.917 -1.300 -7.862 705 HB3 ARG 111 2HB ARG 111 -9.400 -1.442 -5.453 706 HG3 ARG 111 2HG ARG 111 -10.213 -2.058 -7.706 707 HD3 ARG 111 2HD ARG 111 -8.326 -4.336 -7.263 708 HE ARG 111 HE ARG 111 -10.021 -5.707 -7.966 709 HH11 ARG 111 1HH1 ARG 111 -10.105 -2.744 -9.791 710 HH12 ARG 111 2HH1 ARG 111 -11.302 -3.314 -10.908 711 HH21 ARG 111 1HH2 ARG 111 -11.597 -6.469 -9.429 712 HH22 ARG 111 2HH2 ARG 111 -12.149 -5.432 -10.701 713 H ILE 112 H ILE 112 -8.286 0.784 -8.181 714 HA ILE 112 HA ILE 112 -7.501 2.730 -6.185 715 HB ILE 112 HB ILE 112 -8.678 3.168 -8.933 716 HG13 ILE 112 2HG1 ILE 112 -6.395 3.601 -9.658 717 HG21 ILE 112 1HG2 ILE 112 -8.979 5.056 -7.374 718 HG22 ILE 112 2HG2 ILE 112 -7.236 5.096 -7.119 719 HG23 ILE 112 3HG2 ILE 112 -7.902 5.448 -8.713 720 HD11 ILE 112 3HD1 ILE 112 -5.317 4.443 -7.715 721 HD12 ILE 112 1HD1 ILE 112 -5.622 2.950 -6.829 722 HD13 ILE 112 2HD1 ILE 112 -4.494 2.956 -8.184 723 HA PRO 113 HA PRO 113 -11.559 3.182 -4.484 724 HB3 PRO 113 2HB PRO 113 -10.502 3.922 -2.584 725 HG3 PRO 113 2HG PRO 113 -8.507 5.111 -2.706 726 HD3 PRO 113 2HD PRO 113 -7.986 3.320 -4.060 727 H SER 114 H SER 114 -12.972 5.362 -4.046 728 HA SER 114 HA SER 114 -13.921 6.139 -6.567 729 HB3 SER 114 2HB SER 114 -14.405 7.813 -4.120 730 HG SER 114 HG SER 114 -15.887 6.977 -6.372 731 H LYS 115 H LYS 115 -11.350 7.358 -4.656 732 HA LYS 115 HA LYS 115 -10.536 9.171 -6.694 733 HB3 LYS 115 2HB LYS 115 -10.835 10.758 -4.259 734 HG3 LYS 115 2HG LYS 115 -11.698 11.203 -7.109 735 HD3 LYS 115 2HD LYS 115 -11.298 13.472 -5.269 736 HE3 LYS 115 2HE LYS 115 -13.441 14.166 -6.464 737 HZ1 LYS 115 3HZ LYS 115 -11.199 14.896 -7.146 738 HZ2 LYS 115 1HZ LYS 115 -12.279 14.781 -8.444 739 HZ3 LYS 115 2HZ LYS 115 -11.111 13.580 -8.207 Start of MODEL 9 1 H1 MET 1 H MET 1 -18.041 7.009 -1.161 2 HA MET 1 HA MET 1 -18.894 6.984 1.166 3 HB3 MET 1 2HB MET 1 -18.166 4.319 1.830 4 HG3 MET 1 2HG MET 1 -20.955 5.401 1.550 5 HE1 MET 1 3HE MET 1 -22.871 3.234 3.779 6 HE2 MET 1 1HE MET 1 -21.920 4.314 4.798 7 HE3 MET 1 2HE MET 1 -22.562 4.891 3.260 8 H ASP 2 H ASP 2 -16.324 4.816 -0.016 9 HA ASP 2 HA ASP 2 -14.514 5.712 2.056 10 HB3 ASP 2 2HB ASP 2 -12.889 4.188 0.851 11 H THR 3 H THR 3 -13.468 7.572 1.883 12 HA THR 3 HA THR 3 -12.815 8.600 -0.791 13 HB THR 3 HB THR 3 -12.275 10.727 0.662 14 HG1 THR 3 1HG THR 3 -14.062 10.593 2.403 15 HG21 THR 3 3HG2 THR 3 -15.192 10.129 0.473 16 HG22 THR 3 1HG2 THR 3 -14.232 10.161 -1.005 17 HG23 THR 3 2HG2 THR 3 -14.312 11.590 0.025 18 H SER 4 H SER 4 -10.743 9.808 -0.977 19 HA SER 4 HA SER 4 -8.571 8.158 -0.255 20 HB3 SER 4 2HB SER 4 -8.668 9.671 -2.263 21 HG SER 4 HG SER 4 -9.004 11.698 -1.870 22 H LYS 5 H LYS 5 -10.078 10.862 1.291 23 HA LYS 5 HA LYS 5 -7.955 11.699 2.942 24 HB3 LYS 5 2HB LYS 5 -9.773 12.649 4.384 25 HG3 LYS 5 2HG LYS 5 -10.245 13.163 1.455 26 HD3 LYS 5 2HD LYS 5 -10.723 15.477 2.352 27 HE3 LYS 5 2HE LYS 5 -12.404 13.088 2.551 28 HZ1 LYS 5 3HZ LYS 5 -12.641 14.835 4.646 29 HZ2 LYS 5 1HZ LYS 5 -13.802 13.714 4.139 30 HZ3 LYS 5 2HZ LYS 5 -13.865 15.308 3.578 31 H PHE 6 H PHE 6 -10.346 9.147 3.263 32 HA PHE 6 HA PHE 6 -9.609 8.533 5.981 33 HB3 PHE 6 2HB PHE 6 -11.017 6.375 4.733 34 HD1 PHE 6 2HD PHE 6 -10.417 6.308 7.349 35 HD2 PHE 6 1HD PHE 6 -13.466 8.675 5.557 36 HE1 PHE 6 2HE PHE 6 -11.594 6.419 9.506 37 HE2 PHE 6 1HE PHE 6 -14.649 8.791 7.712 38 HZ PHE 6 HZ PHE 6 -13.713 7.660 9.690 39 H TRP 7 H TRP 7 -8.806 7.394 2.776 40 HA TRP 7 HA TRP 7 -7.399 5.064 3.733 41 HB3 TRP 7 2HB TRP 7 -6.595 5.094 1.243 42 HD1 TRP 7 HD TRP 7 -9.908 5.222 0.016 43 HE1 TRP 7 1HE TRP 7 -11.189 3.014 0.344 44 HE3 TRP 7 3HE TRP 7 -6.887 3.042 3.517 45 HZ2 TRP 7 2HZ TRP 7 -10.951 0.660 1.884 46 HZ3 TRP 7 3HZ TRP 7 -7.484 0.811 4.366 47 HH2 TRP 7 HH TRP 7 -9.475 -0.353 3.565 48 H TYR 8 H TYR 8 -6.705 8.361 3.389 49 HA TYR 8 HA TYR 8 -3.808 7.839 3.354 50 HB3 TYR 8 2HB TYR 8 -5.339 10.360 2.679 51 HD1 TYR 8 1HD TYR 8 -4.041 11.844 4.133 52 HD2 TYR 8 2HD TYR 8 -2.134 9.359 1.253 53 HE1 TYR 8 1HE TYR 8 -1.983 13.171 4.360 54 HE2 TYR 8 2HE TYR 8 -0.071 10.679 1.473 55 HH TYR 8 HH TYR 8 0.170 13.338 3.804 56 H LYS 9 H LYS 9 -3.011 7.748 5.346 57 HA LYS 9 HA LYS 9 -3.652 9.915 7.208 58 HB3 LYS 9 2HB LYS 9 -3.645 8.152 9.066 59 HG3 LYS 9 2HG LYS 9 -5.864 8.536 7.118 60 HD3 LYS 9 2HD LYS 9 -5.791 6.542 9.368 61 HE3 LYS 9 2HE LYS 9 -8.397 6.901 8.188 62 HZ1 LYS 9 3HZ LYS 9 -9.094 6.846 10.430 63 HZ2 LYS 9 1HZ LYS 9 -7.569 7.301 11.005 64 HZ3 LYS 9 2HZ LYS 9 -7.792 5.771 10.321 65 HA PRO 10 HA PRO 10 0.831 9.713 7.190 66 HB3 PRO 10 2HB PRO 10 0.799 11.981 6.823 67 HG3 PRO 10 2HG PRO 10 -0.964 13.294 7.579 68 HD3 PRO 10 2HD PRO 10 -2.141 11.628 6.505 69 H HIS 11 H HIS 11 -1.193 10.401 10.015 70 HA HIS 11 HA HIS 11 0.880 9.680 11.882 71 HB3 HIS 11 2HB HIS 11 -1.298 9.725 13.433 72 HD1 HIS 11 1HD HIS 11 -1.331 13.046 11.923 73 HD2 HIS 11 2HD HIS 11 1.061 10.968 14.612 74 HE1 HIS 11 1HE HIS 11 0.050 14.795 13.086 75 H LEU 12 H LEU 12 -1.653 8.072 10.182 76 HA LEU 12 HA LEU 12 -2.270 5.936 11.813 77 HB3 LEU 12 2HB LEU 12 -2.011 6.177 8.835 78 HG LEU 12 HG LEU 12 -2.570 3.689 10.342 79 HD11 LEU 12 1HD1 LEU 12 -4.031 2.985 8.353 80 HD12 LEU 12 2HD1 LEU 12 -4.283 4.713 8.106 81 HD13 LEU 12 3HD1 LEU 12 -4.768 3.960 9.625 82 HD21 LEU 12 3HD2 LEU 12 -0.696 4.373 8.572 83 HD22 LEU 12 1HD2 LEU 12 -1.927 3.787 7.454 84 HD23 LEU 12 2HD2 LEU 12 -1.310 2.726 8.720 85 H SER 13 H SER 13 -1.253 4.154 12.507 86 HA SER 13 HA SER 13 1.563 3.849 11.859 87 HB3 SER 13 2HB SER 13 1.383 3.548 14.123 88 HG SER 13 HG SER 13 -0.553 2.236 14.905 89 H ARG 14 H ARG 14 2.458 1.691 11.413 90 HA ARG 14 HA ARG 14 1.366 0.536 9.135 91 HB3 ARG 14 2HB ARG 14 3.028 -1.189 9.364 92 HG3 ARG 14 2HG ARG 14 3.697 1.519 9.546 93 HD3 ARG 14 2HD ARG 14 5.001 -0.128 11.630 94 HE ARG 14 HE ARG 14 6.652 0.901 9.673 95 HH11 ARG 14 1HH1 ARG 14 6.179 1.341 13.094 96 HH12 ARG 14 2HH1 ARG 14 7.834 1.753 13.403 97 HH21 ARG 14 1HH2 ARG 14 8.832 1.443 10.066 98 HH22 ARG 14 2HH2 ARG 14 9.342 1.812 11.678 99 H ASP 15 H ASP 15 1.263 -0.638 12.491 100 HA ASP 15 HA ASP 15 -0.147 -2.997 12.043 101 HB3 ASP 15 2HB ASP 15 -0.778 -1.471 14.513 102 H GLN 16 H GLN 16 -1.338 0.287 12.611 103 HA GLN 16 HA GLN 16 -4.074 -0.348 12.748 104 HB3 GLN 16 2HB GLN 16 -4.195 2.150 11.824 105 HG3 GLN 16 2HG GLN 16 -3.408 2.916 14.181 106 HE21 GLN 16 1HE2 GLN 16 -5.052 2.983 15.831 107 HE22 GLN 16 2HE2 GLN 16 -6.686 2.599 15.424 108 H ALA 17 H ALA 17 -1.982 0.482 10.022 109 HA ALA 17 HA ALA 17 -4.001 0.631 8.061 110 HB1 ALA 17 1HB ALA 17 -1.875 -0.097 6.598 111 HB2 ALA 17 2HB ALA 17 -2.113 1.539 7.214 112 HB3 ALA 17 3HB ALA 17 -1.057 0.420 8.073 113 H ILE 18 H ILE 18 -2.015 -2.054 9.223 114 HA ILE 18 HA ILE 18 -2.865 -3.951 7.314 115 HB ILE 18 HB ILE 18 -1.865 -4.422 10.124 116 HG13 ILE 18 2HG1 ILE 18 -0.399 -3.132 8.444 117 HG21 ILE 18 1HG2 ILE 18 -2.493 -6.240 7.852 118 HG22 ILE 18 2HG2 ILE 18 -1.131 -6.629 8.900 119 HG23 ILE 18 3HG2 ILE 18 -2.750 -6.466 9.582 120 HD11 ILE 18 3HD1 ILE 18 1.240 -3.761 9.777 121 HD12 ILE 18 1HD1 ILE 18 0.297 -5.155 10.305 122 HD13 ILE 18 2HD1 ILE 18 1.363 -5.289 8.905 123 H ALA 19 H ALA 19 -4.063 -3.110 10.535 124 HA ALA 19 HA ALA 19 -6.020 -5.153 10.678 125 HB1 ALA 19 1HB ALA 19 -6.833 -2.882 12.197 126 HB2 ALA 19 2HB ALA 19 -6.155 -4.410 12.762 127 HB3 ALA 19 3HB ALA 19 -5.085 -3.072 12.345 128 H LEU 20 H LEU 20 -6.034 -1.873 9.410 129 HA LEU 20 HA LEU 20 -8.857 -1.735 9.018 130 HB3 LEU 20 2HB LEU 20 -7.218 -0.085 7.251 131 HG LEU 20 HG LEU 20 -9.145 0.645 9.454 132 HD11 LEU 20 1HD1 LEU 20 -7.323 2.268 7.774 133 HD12 LEU 20 2HD1 LEU 20 -7.919 2.554 9.410 134 HD13 LEU 20 3HD1 LEU 20 -8.960 2.877 8.024 135 HD21 LEU 20 3HD2 LEU 20 -9.356 0.408 6.473 136 HD22 LEU 20 1HD2 LEU 20 -10.429 1.468 7.386 137 HD23 LEU 20 2HD2 LEU 20 -10.408 -0.264 7.719 138 H LEU 21 H LEU 21 -6.150 -2.871 7.128 139 HA LEU 21 HA LEU 21 -7.595 -3.038 4.657 140 HB3 LEU 21 2HB LEU 21 -5.565 -4.645 4.167 141 HG LEU 21 HG LEU 21 -5.073 -1.700 4.604 142 HD11 LEU 21 1HD1 LEU 21 -2.958 -2.628 4.377 143 HD12 LEU 21 2HD1 LEU 21 -3.382 -2.193 2.722 144 HD13 LEU 21 3HD1 LEU 21 -3.513 -3.869 3.252 145 HD21 LEU 21 3HD2 LEU 21 -6.283 -1.308 2.786 146 HD22 LEU 21 1HD2 LEU 21 -6.802 -2.993 2.814 147 HD23 LEU 21 2HD2 LEU 21 -5.387 -2.522 1.873 148 H LYS 22 H LYS 22 -6.638 -5.337 7.177 149 HA LYS 22 HA LYS 22 -7.711 -7.629 5.902 150 HB3 LYS 22 2HB LYS 22 -6.010 -7.585 7.782 151 HG3 LYS 22 2HG LYS 22 -8.483 -7.263 9.472 152 HD3 LYS 22 2HD LYS 22 -5.636 -7.688 10.369 153 HE3 LYS 22 2HE LYS 22 -8.297 -7.610 11.780 154 HZ1 LYS 22 3HZ LYS 22 -7.467 -8.999 13.274 155 HZ2 LYS 22 1HZ LYS 22 -6.236 -7.886 13.605 156 HZ3 LYS 22 2HZ LYS 22 -5.991 -9.101 12.455 157 H ASP 23 H ASP 23 -9.191 -4.989 7.391 158 HA ASP 23 HA ASP 23 -11.655 -6.522 7.889 159 HB3 ASP 23 2HB ASP 23 -11.436 -3.715 8.830 160 H LYS 24 H LYS 24 -10.335 -5.012 5.437 161 HA LYS 24 HA LYS 24 -12.837 -3.691 4.609 162 HB3 LYS 24 2HB LYS 24 -11.192 -2.455 2.987 163 HG3 LYS 24 2HG LYS 24 -10.487 -1.004 5.173 164 HD3 LYS 24 2HD LYS 24 -12.503 -0.954 3.151 165 HE3 LYS 24 2HE LYS 24 -13.511 0.584 5.457 166 HZ1 LYS 24 3HZ LYS 24 -15.569 0.221 4.428 167 HZ2 LYS 24 1HZ LYS 24 -15.001 -1.096 3.530 168 HZ3 LYS 24 2HZ LYS 24 -14.490 0.470 3.150 169 H ASP 25 H ASP 25 -12.995 -3.576 2.140 170 HA ASP 25 HA ASP 25 -13.073 -6.203 1.125 171 HB3 ASP 25 2HB ASP 25 -13.248 -4.668 -1.120 172 HA PRO 26 HA PRO 26 -9.093 -6.866 -0.598 173 HB3 PRO 26 2HB PRO 26 -9.821 -8.967 -1.177 174 HG3 PRO 26 2HG PRO 26 -11.997 -9.321 -1.917 175 HD3 PRO 26 2HD PRO 26 -12.421 -8.109 -0.003 176 H GLY 27 H GLY 27 -7.652 -6.124 -2.157 177 HA2 GLY 27 2HA GLY 27 -6.983 -5.053 -4.128 178 HA3 GLY 27 3HA GLY 27 -8.670 -4.728 -4.498 179 H ALA 28 H ALA 28 -8.681 -3.768 -1.497 180 HA ALA 28 HA ALA 28 -8.500 -1.000 -2.130 181 HB1 ALA 28 1HB ALA 28 -8.653 -2.228 0.616 182 HB2 ALA 28 2HB ALA 28 -9.130 -0.598 0.138 183 HB3 ALA 28 3HB ALA 28 -10.048 -1.990 -0.438 184 H PHE 29 H PHE 29 -7.053 0.558 -1.323 185 HA PHE 29 HA PHE 29 -4.544 -0.460 -0.191 186 HB3 PHE 29 2HB PHE 29 -4.456 -0.089 -2.734 187 HD1 PHE 29 2HD PHE 29 -6.623 1.525 -2.947 188 HD2 PHE 29 1HD PHE 29 -2.602 2.781 -2.338 189 HE1 PHE 29 2HE PHE 29 -7.166 3.722 -3.912 190 HE2 PHE 29 1HE PHE 29 -3.139 4.981 -3.302 191 HZ PHE 29 HZ PHE 29 -5.424 5.453 -4.091 192 H LEU 30 H LEU 30 -3.157 1.332 0.662 193 HA LEU 30 HA LEU 30 -4.522 3.801 1.323 194 HB3 LEU 30 2HB LEU 30 -5.215 2.058 3.019 195 HG LEU 30 HG LEU 30 -2.617 1.343 3.268 196 HD11 LEU 30 1HD1 LEU 30 -2.348 3.698 4.356 197 HD12 LEU 30 2HD1 LEU 30 -1.555 2.294 5.070 198 HD13 LEU 30 3HD1 LEU 30 -3.053 2.909 5.768 199 HD21 LEU 30 3HD2 LEU 30 -3.367 -0.079 4.889 200 HD22 LEU 30 1HD2 LEU 30 -4.911 0.446 4.218 201 HD23 LEU 30 2HD2 LEU 30 -4.307 1.170 5.707 202 H ILE 31 H ILE 31 -3.105 5.328 2.458 203 HA ILE 31 HA ILE 31 -0.246 4.713 2.114 204 HB ILE 31 HB ILE 31 -1.600 7.304 1.356 205 HG13 ILE 31 2HG1 ILE 31 -1.494 5.008 -0.115 206 HG21 ILE 31 1HG2 ILE 31 0.447 8.041 2.068 207 HG22 ILE 31 2HG2 ILE 31 1.251 6.520 1.684 208 HG23 ILE 31 3HG2 ILE 31 0.825 7.643 0.392 209 HD11 ILE 31 3HD1 ILE 31 -2.020 6.270 -2.035 210 HD12 ILE 31 1HD1 ILE 31 -2.697 7.145 -0.663 211 HD13 ILE 31 2HD1 ILE 31 -1.198 7.699 -1.409 212 H ARG 32 H ARG 32 1.123 5.496 3.657 213 HA ARG 32 HA ARG 32 0.096 7.338 5.674 214 HB3 ARG 32 2HB ARG 32 -0.449 5.132 6.563 215 HG3 ARG 32 2HG ARG 32 1.815 4.207 5.351 216 HD3 ARG 32 2HD ARG 32 2.348 3.876 8.274 217 HE ARG 32 HE ARG 32 4.562 3.886 6.496 218 HH11 ARG 32 1HH1 ARG 32 1.859 1.958 7.542 219 HH12 ARG 32 2HH1 ARG 32 2.620 0.449 7.159 220 HH21 ARG 32 1HH2 ARG 32 5.574 1.907 5.987 221 HH22 ARG 32 2HH2 ARG 32 4.733 0.421 6.274 222 H ASP 33 H ASP 33 1.840 8.051 7.182 223 HA ASP 33 HA ASP 33 4.121 8.861 5.707 224 HB3 ASP 33 2HB ASP 33 4.082 8.987 8.693 225 H SER 34 H SER 34 5.888 7.731 5.286 226 HA SER 34 HA SER 34 6.436 5.270 6.696 227 HB3 SER 34 2HB SER 34 8.166 6.545 4.575 228 HG SER 34 HG SER 34 8.821 4.469 4.243 229 H HIS 35 H HIS 35 7.132 5.717 8.741 230 HA HIS 35 HA HIS 35 9.054 7.746 9.329 231 HB3 HIS 35 2HB HIS 35 8.755 5.564 11.283 232 HD1 HIS 35 1HD HIS 35 9.930 6.645 13.165 233 HD2 HIS 35 2HD HIS 35 7.488 9.321 11.130 234 HE1 HIS 35 1HE HIS 35 10.093 8.807 14.439 235 H SER 36 H SER 36 9.299 4.655 8.024 236 HA SER 36 HA SER 36 11.613 3.609 9.146 237 HB3 SER 36 2HB SER 36 11.355 2.029 7.565 238 HG SER 36 HG SER 36 9.381 1.991 6.749 239 H PHE 37 H PHE 37 11.479 5.361 6.040 240 HA PHE 37 HA PHE 37 14.105 6.523 6.686 241 HB3 PHE 37 2HB PHE 37 14.457 6.412 4.114 242 HD1 PHE 37 2HD PHE 37 16.175 5.957 6.265 243 HD2 PHE 37 1HD PHE 37 14.024 3.067 3.999 244 HE1 PHE 37 2HE PHE 37 17.845 4.250 6.862 245 HE2 PHE 37 1HE PHE 37 15.689 1.356 4.594 246 HZ PHE 37 HZ PHE 37 17.603 1.947 6.026 247 H GLN 38 H GLN 38 14.578 8.545 5.598 248 HA GLN 38 HA GLN 38 12.289 10.273 5.558 249 HB3 GLN 38 2HB GLN 38 13.893 12.068 5.203 250 HG3 GLN 38 2HG GLN 38 15.250 10.159 7.073 251 HE21 GLN 38 1HE2 GLN 38 17.010 11.653 6.326 252 HE22 GLN 38 2HE2 GLN 38 17.184 13.146 7.176 253 H GLY 39 H GLY 39 11.210 11.085 3.852 254 HA2 GLY 39 2HA GLY 39 10.775 11.680 1.647 255 HA3 GLY 39 3HA GLY 39 12.355 11.058 1.195 256 H ALA 40 H ALA 40 10.147 9.100 3.031 257 HA ALA 40 HA ALA 40 9.500 7.562 0.604 258 HB1 ALA 40 1HB ALA 40 9.826 5.487 1.808 259 HB2 ALA 40 2HB ALA 40 11.302 6.451 1.862 260 HB3 ALA 40 3HB ALA 40 10.248 6.375 3.273 261 H TYR 41 H TYR 41 7.590 6.189 0.814 262 HA TYR 41 HA TYR 41 5.715 7.088 2.894 263 HB3 TYR 41 2HB TYR 41 3.963 6.849 0.945 264 HD1 TYR 41 1HD TYR 41 6.790 9.244 0.506 265 HD2 TYR 41 2HD TYR 41 2.781 8.655 1.804 266 HE1 TYR 41 1HE TYR 41 6.557 11.666 0.865 267 HE2 TYR 41 2HE TYR 41 2.537 11.075 2.166 268 HH TYR 41 HH TYR 41 4.801 13.345 1.009 269 H GLY 42 H GLY 42 4.376 5.546 3.715 270 HA2 GLY 42 2HA GLY 42 4.988 2.795 2.976 271 HA3 GLY 42 3HA GLY 42 4.084 3.318 4.389 272 H LEU 43 H LEU 43 3.840 1.791 1.474 273 HA LEU 43 HA LEU 43 1.019 2.546 1.115 274 HB3 LEU 43 2HB LEU 43 2.946 1.190 -0.766 275 HG LEU 43 HG LEU 43 0.556 0.477 -1.149 276 HD11 LEU 43 1HD1 LEU 43 -0.580 2.502 -2.503 277 HD12 LEU 43 2HD1 LEU 43 0.257 3.407 -1.244 278 HD13 LEU 43 3HD1 LEU 43 -0.906 2.156 -0.805 279 HD21 LEU 43 3HD2 LEU 43 0.680 1.314 -3.632 280 HD22 LEU 43 1HD2 LEU 43 1.865 0.166 -3.007 281 HD23 LEU 43 2HD2 LEU 43 2.278 1.876 -3.139 282 H ALA 44 H ALA 44 -0.535 1.134 1.594 283 HA ALA 44 HA ALA 44 0.243 -1.667 2.089 284 HB1 ALA 44 1HB ALA 44 -0.960 -1.720 3.996 285 HB2 ALA 44 2HB ALA 44 -0.702 0.025 3.956 286 HB3 ALA 44 3HB ALA 44 -2.216 -0.657 3.361 287 H LEU 45 H LEU 45 -0.932 -3.277 1.170 288 HA LEU 45 HA LEU 45 -3.341 -2.540 -0.342 289 HB3 LEU 45 2HB LEU 45 -0.935 -4.047 -1.320 290 HG LEU 45 HG LEU 45 -2.785 -5.415 -2.074 291 HD11 LEU 45 1HD1 LEU 45 -4.112 -2.877 -2.283 292 HD12 LEU 45 2HD1 LEU 45 -4.790 -4.505 -2.329 293 HD13 LEU 45 3HD1 LEU 45 -4.208 -3.751 -3.813 294 HD21 LEU 45 3HD2 LEU 45 -1.346 -3.677 -4.014 295 HD22 LEU 45 1HD2 LEU 45 -2.602 -4.758 -4.616 296 HD23 LEU 45 2HD2 LEU 45 -1.218 -5.416 -3.741 297 H LYS 46 H LYS 46 -4.955 -4.050 -0.378 298 HA LYS 46 HA LYS 46 -4.597 -6.335 1.419 299 HB3 LYS 46 2HB LYS 46 -7.266 -5.607 0.311 300 HG3 LYS 46 2HG LYS 46 -8.053 -6.113 2.524 301 HD3 LYS 46 2HD LYS 46 -6.083 -8.303 2.164 302 HE3 LYS 46 2HE LYS 46 -9.006 -8.678 1.933 303 HZ1 LYS 46 3HZ LYS 46 -6.719 -10.154 2.748 304 HZ2 LYS 46 1HZ LYS 46 -8.266 -10.711 2.354 305 HZ3 LYS 46 2HZ LYS 46 -7.923 -10.217 3.934 306 H VAL 47 H VAL 47 -4.482 -8.349 0.674 307 HA VAL 47 HA VAL 47 -4.916 -8.822 -2.173 308 HB VAL 47 HB VAL 47 -3.740 -10.899 -1.882 309 HG11 VAL 47 1HG1 VAL 47 -2.041 -9.219 -0.154 310 HG12 VAL 47 2HG1 VAL 47 -1.684 -9.981 -1.704 311 HG13 VAL 47 3HG1 VAL 47 -2.597 -8.472 -1.651 312 HG21 VAL 47 3HG2 VAL 47 -2.820 -10.951 0.733 313 HG22 VAL 47 1HG2 VAL 47 -4.531 -10.553 0.883 314 HG23 VAL 47 2HG2 VAL 47 -4.037 -12.013 0.026 315 H ALA 48 H ALA 48 -6.251 -10.464 -2.972 316 HA ALA 48 HA ALA 48 -8.725 -10.791 -1.706 317 HB1 ALA 48 1HB ALA 48 -7.601 -12.590 -3.844 318 HB2 ALA 48 2HB ALA 48 -9.298 -12.264 -3.492 319 HB3 ALA 48 3HB ALA 48 -8.277 -10.992 -4.159 320 H THR 49 H THR 49 -5.871 -12.857 -1.786 321 HA THR 49 HA THR 49 -6.524 -14.145 0.639 322 HB THR 49 HB THR 49 -6.529 -16.476 -0.826 323 HG1 THR 49 1HG THR 49 -7.716 -16.208 -2.596 324 HG21 THR 49 3HG2 THR 49 -8.116 -16.735 0.720 325 HG22 THR 49 1HG2 THR 49 -9.222 -15.884 -0.357 326 HG23 THR 49 2HG2 THR 49 -8.329 -14.991 0.873 327 HA PRO 50 HA PRO 50 -2.260 -15.173 0.490 328 HB3 PRO 50 2HB PRO 50 -2.459 -15.890 2.664 329 HG3 PRO 50 2HG PRO 50 -4.358 -17.021 3.386 330 HD3 PRO 50 2HD PRO 50 -5.342 -15.211 2.353 331 HA PRO 51 HA PRO 51 -1.275 -18.072 -2.666 332 HB3 PRO 51 2HB PRO 51 0.916 -17.412 -2.470 333 HG3 PRO 51 2HG PRO 51 1.849 -16.951 -0.391 334 HD3 PRO 51 2HD PRO 51 -0.072 -15.685 -0.253 335 HA PRO 52 HA PRO 52 -2.389 -22.208 -1.668 336 HB3 PRO 52 2HB PRO 52 -2.262 -22.692 -3.910 337 HG3 PRO 52 2HG PRO 52 -0.591 -21.776 -5.243 338 HD3 PRO 52 2HD PRO 52 -1.364 -19.868 -4.206 339 H SER 53 H SER 53 1.113 -21.689 -1.908 340 HA SER 53 HA SER 53 1.562 -22.964 0.616 341 HB3 SER 53 2HB SER 53 1.648 -25.052 -0.320 342 HG SER 53 HG SER 53 2.002 -25.438 -2.464 343 H ALA 54 H ALA 54 2.512 -20.973 1.102 344 HA ALA 54 HA ALA 54 5.148 -20.551 -0.146 345 HB1 ALA 54 1HB ALA 54 4.867 -18.151 0.080 346 HB2 ALA 54 2HB ALA 54 3.561 -18.831 -0.892 347 HB3 ALA 54 3HB ALA 54 3.269 -18.386 0.790 348 H GLN 55 H GLN 55 4.493 -22.071 2.228 349 HA GLN 55 HA GLN 55 5.186 -22.363 4.375 350 HB3 GLN 55 2HB GLN 55 7.261 -20.862 4.968 351 HG3 GLN 55 2HG GLN 55 7.889 -22.541 2.623 352 HE21 GLN 55 1HE2 GLN 55 8.363 -24.102 5.505 353 HE22 GLN 55 2HE2 GLN 55 9.984 -23.601 5.829 354 HA PRO 56 HA PRO 56 2.812 -18.584 5.709 355 HB3 PRO 56 2HB PRO 56 0.795 -19.530 5.147 356 HG3 PRO 56 2HG PRO 56 0.558 -21.837 4.977 357 HD3 PRO 56 2HD PRO 56 2.437 -21.533 3.676 358 H TRP 57 H TRP 57 2.697 -17.752 7.787 359 HA TRP 57 HA TRP 57 4.340 -19.088 9.749 360 HB3 TRP 57 2HB TRP 57 3.620 -16.924 11.080 361 HD1 TRP 57 HD TRP 57 5.085 -16.187 7.588 362 HE1 TRP 57 1HE TRP 57 7.589 -15.661 7.862 363 HE3 TRP 57 3HE TRP 57 5.585 -17.195 12.576 364 HZ2 TRP 57 2HZ TRP 57 9.522 -15.672 9.919 365 HZ3 TRP 57 3HZ TRP 57 7.796 -16.912 13.619 366 HH2 TRP 57 HH TRP 57 9.722 -16.168 12.317 367 H LYS 58 H LYS 58 3.707 -19.647 11.860 368 HA LYS 58 HA LYS 58 0.851 -20.290 12.093 369 HB3 LYS 58 2HB LYS 58 2.909 -21.406 13.951 370 HG3 LYS 58 2HG LYS 58 0.620 -22.780 12.567 371 HD3 LYS 58 2HD LYS 58 1.776 -23.524 15.216 372 HE3 LYS 58 2HE LYS 58 1.190 -25.628 13.321 373 HZ1 LYS 58 3HZ LYS 58 0.785 -25.007 16.065 374 HZ2 LYS 58 1HZ LYS 58 0.838 -26.519 15.306 375 HZ3 LYS 58 2HZ LYS 58 -0.619 -25.665 15.388 376 H GLY 59 H GLY 59 1.309 -17.683 12.576 377 HA2 GLY 59 2HA GLY 59 0.496 -17.430 15.320 378 HA3 GLY 59 3HA GLY 59 2.100 -16.772 15.028 379 H ASP 60 H ASP 60 1.837 -15.628 12.563 380 HA ASP 60 HA ASP 60 -0.401 -13.743 12.829 381 HB3 ASP 60 2HB ASP 60 1.266 -11.935 12.101 382 HA PRO 61 HA PRO 61 0.093 -15.429 8.507 383 HB3 PRO 61 2HB PRO 61 -1.275 -17.224 8.934 384 HG3 PRO 61 2HG PRO 61 -2.814 -17.173 10.677 385 HD3 PRO 61 2HD PRO 61 -0.921 -16.485 11.798 386 H VAL 62 H VAL 62 -1.918 -13.131 10.119 387 HA VAL 62 HA VAL 62 -3.425 -12.058 8.061 388 HB VAL 62 HB VAL 62 -3.585 -11.383 10.452 389 HG11 VAL 62 1HG1 VAL 62 -2.037 -10.075 11.520 390 HG12 VAL 62 2HG1 VAL 62 -0.979 -11.033 10.482 391 HG13 VAL 62 3HG1 VAL 62 -1.417 -9.389 10.019 392 HG21 VAL 62 3HG2 VAL 62 -3.438 -8.743 9.569 393 HG22 VAL 62 1HG2 VAL 62 -3.771 -9.693 8.121 394 HG23 VAL 62 2HG2 VAL 62 -4.845 -9.804 9.515 395 H GLU 63 H GLU 63 -0.015 -11.750 8.705 396 HA GLU 63 HA GLU 63 0.572 -9.469 7.202 397 HB3 GLU 63 2HB GLU 63 2.592 -11.579 7.013 398 HG3 GLU 63 2HG GLU 63 2.661 -9.005 8.561 399 H GLN 64 H GLN 64 -0.229 -12.691 6.219 400 HA GLN 64 HA GLN 64 0.795 -12.427 3.544 401 HB3 GLN 64 2HB GLN 64 -1.284 -14.450 4.241 402 HG3 GLN 64 2HG GLN 64 -0.235 -14.536 2.042 403 HE21 GLN 64 1HE2 GLN 64 2.240 -16.187 3.861 404 HE22 GLN 64 2HE2 GLN 64 3.582 -15.330 3.191 405 H LEU 65 H LEU 65 -2.165 -11.715 5.193 406 HA LEU 65 HA LEU 65 -3.743 -11.522 2.781 407 HB3 LEU 65 2HB LEU 65 -5.556 -11.026 4.154 408 HG LEU 65 HG LEU 65 -3.773 -12.630 5.987 409 HD11 LEU 65 1HD1 LEU 65 -6.736 -12.822 6.000 410 HD12 LEU 65 2HD1 LEU 65 -5.986 -11.448 6.809 411 HD13 LEU 65 3HD1 LEU 65 -5.577 -13.091 7.301 412 HD21 LEU 65 3HD2 LEU 65 -3.916 -14.104 4.299 413 HD22 LEU 65 1HD2 LEU 65 -5.270 -13.265 3.543 414 HD23 LEU 65 2HD2 LEU 65 -5.556 -14.360 4.895 415 H VAL 66 H VAL 66 -1.818 -9.427 4.768 416 HA VAL 66 HA VAL 66 -2.583 -7.154 3.053 417 HB VAL 66 HB VAL 66 -1.752 -7.043 5.956 418 HG11 VAL 66 1HG1 VAL 66 -1.003 -5.010 5.367 419 HG12 VAL 66 2HG1 VAL 66 -1.888 -5.017 3.839 420 HG13 VAL 66 3HG1 VAL 66 -2.712 -4.576 5.336 421 HG21 VAL 66 3HG2 VAL 66 -4.150 -5.892 5.933 422 HG22 VAL 66 1HG2 VAL 66 -4.370 -6.986 4.567 423 HG23 VAL 66 2HG2 VAL 66 -3.942 -7.630 6.151 424 H ARG 67 H ARG 67 -0.985 -6.416 1.831 425 HA ARG 67 HA ARG 67 1.785 -7.025 2.620 426 HB3 ARG 67 2HB ARG 67 2.089 -6.394 0.053 427 HG3 ARG 67 2HG ARG 67 1.726 -8.762 -0.578 428 HD3 ARG 67 2HD ARG 67 3.578 -7.699 1.218 429 HE ARG 67 HE ARG 67 2.259 -9.863 2.512 430 HH11 ARG 67 1HH1 ARG 67 5.392 -8.467 1.913 431 HH12 ARG 67 2HH1 ARG 67 6.102 -9.119 3.353 432 HH21 ARG 67 1HH2 ARG 67 3.183 -10.726 4.411 433 HH22 ARG 67 2HH2 ARG 67 4.845 -10.405 4.772 434 H HIS 68 H HIS 68 2.868 -5.360 3.421 435 HA HIS 68 HA HIS 68 2.230 -2.657 2.436 436 HB3 HIS 68 2HB HIS 68 1.644 -2.819 4.763 437 HD1 HIS 68 1HD HIS 68 1.871 -5.183 5.826 438 HD2 HIS 68 2HD HIS 68 5.373 -2.947 5.836 439 HE1 HIS 68 1HE HIS 68 3.423 -6.371 7.407 440 H PHE 69 H PHE 69 3.784 -1.621 1.377 441 HA PHE 69 HA PHE 69 6.580 -2.404 1.843 442 HB3 PHE 69 2HB PHE 69 7.039 -2.236 -0.550 443 HD1 PHE 69 1HD PHE 69 6.973 -4.473 1.208 444 HD2 PHE 69 2HD PHE 69 4.339 -3.533 -2.001 445 HE1 PHE 69 1HE PHE 69 6.436 -6.861 0.954 446 HE2 PHE 69 2HE PHE 69 3.797 -5.919 -2.260 447 HZ PHE 69 HZ PHE 69 4.846 -7.586 -0.781 448 H LEU 70 H LEU 70 8.133 -0.771 1.537 449 HA LEU 70 HA LEU 70 7.035 1.933 1.774 450 HB3 LEU 70 2HB LEU 70 8.450 1.463 3.573 451 HG LEU 70 HG LEU 70 10.195 0.055 1.640 452 HD11 LEU 70 1HD1 LEU 70 11.982 0.391 3.598 453 HD12 LEU 70 2HD1 LEU 70 11.196 1.968 3.657 454 HD13 LEU 70 3HD1 LEU 70 11.932 1.407 2.157 455 HD21 LEU 70 3HD2 LEU 70 10.586 -0.934 4.173 456 HD22 LEU 70 1HD2 LEU 70 9.426 -1.545 2.993 457 HD23 LEU 70 2HD2 LEU 70 8.910 -0.386 4.218 458 H ILE 71 H ILE 71 7.127 3.295 0.122 459 HA ILE 71 HA ILE 71 8.878 2.655 -2.141 460 HB ILE 71 HB ILE 71 6.671 4.706 -2.103 461 HG13 ILE 71 2HG1 ILE 71 6.563 1.750 -2.345 462 HG21 ILE 71 1HG2 ILE 71 6.889 4.806 -4.394 463 HG22 ILE 71 2HG2 ILE 71 8.563 4.574 -3.890 464 HG23 ILE 71 3HG2 ILE 71 7.629 3.208 -4.500 465 HD11 ILE 71 3HD1 ILE 71 4.037 3.007 -1.966 466 HD12 ILE 71 1HD1 ILE 71 4.949 1.983 -0.857 467 HD13 ILE 71 2HD1 ILE 71 5.214 3.727 -0.868 468 H GLU 72 H GLU 72 10.488 3.970 -2.798 469 HA GLU 72 HA GLU 72 10.885 6.467 -1.283 470 HB3 GLU 72 2HB GLU 72 13.211 5.204 -2.608 471 HG3 GLU 72 2HG GLU 72 12.802 6.340 0.150 472 H THR 73 H THR 73 11.417 8.318 -2.370 473 HA THR 73 HA THR 73 11.375 8.154 -5.314 474 HB THR 73 HB THR 73 9.354 9.228 -4.588 475 HG1 THR 73 1HG THR 73 9.566 10.927 -5.896 476 HG21 THR 73 3HG2 THR 73 9.248 10.362 -2.675 477 HG22 THR 73 1HG2 THR 73 10.297 11.608 -3.350 478 HG23 THR 73 2HG2 THR 73 10.997 10.233 -2.496 479 H GLY 74 H GLY 74 13.195 8.766 -6.273 480 HA2 GLY 74 2HA GLY 74 14.873 10.788 -4.925 481 HA3 GLY 74 3HA GLY 74 15.577 9.337 -5.625 482 HA PRO 75 HA PRO 75 15.751 12.746 -8.776 483 HB3 PRO 75 2HB PRO 75 17.845 13.397 -8.087 484 HG3 PRO 75 2HG PRO 75 19.236 11.934 -6.934 485 HD3 PRO 75 2HD PRO 75 17.304 11.700 -5.699 486 H LYS 76 H LYS 76 16.082 9.387 -8.660 487 HA LYS 76 HA LYS 76 16.276 9.183 -11.590 488 HB3 LYS 76 2HB LYS 76 16.715 6.725 -11.086 489 HG3 LYS 76 2HG LYS 76 19.037 7.335 -9.934 490 HD3 LYS 76 2HD LYS 76 18.235 6.784 -12.449 491 HE3 LYS 76 2HE LYS 76 19.782 8.905 -13.425 492 HZ1 LYS 76 3HZ LYS 76 18.199 8.193 -14.867 493 HZ2 LYS 76 1HZ LYS 76 17.390 9.552 -14.267 494 HZ3 LYS 76 2HZ LYS 76 17.009 8.014 -13.677 495 H GLY 77 H GLY 77 13.990 9.411 -9.301 496 HA2 GLY 77 2HA GLY 77 11.685 9.162 -10.148 497 HA3 GLY 77 3HA GLY 77 12.171 7.582 -10.746 498 H VAL 78 H VAL 78 10.012 7.437 -9.328 499 HA VAL 78 HA VAL 78 10.820 6.738 -6.583 500 HB VAL 78 HB VAL 78 9.087 8.428 -6.600 501 HG11 VAL 78 1HG1 VAL 78 6.928 8.087 -7.625 502 HG12 VAL 78 2HG1 VAL 78 8.190 7.910 -8.845 503 HG13 VAL 78 3HG1 VAL 78 7.406 6.480 -8.172 504 HG21 VAL 78 3HG2 VAL 78 9.057 6.543 -4.920 505 HG22 VAL 78 1HG2 VAL 78 7.529 7.395 -5.144 506 HG23 VAL 78 2HG2 VAL 78 7.774 5.814 -5.887 507 H LYS 79 H LYS 79 10.787 4.669 -5.994 508 HA LYS 79 HA LYS 79 9.082 2.780 -7.443 509 HB3 LYS 79 2HB LYS 79 11.364 2.738 -8.459 510 HG3 LYS 79 2HG LYS 79 12.420 3.032 -6.038 511 HD3 LYS 79 2HD LYS 79 13.091 0.180 -6.398 512 HE3 LYS 79 2HE LYS 79 13.288 0.226 -4.015 513 HZ1 LYS 79 3HZ LYS 79 14.844 2.022 -3.688 514 HZ2 LYS 79 1HZ LYS 79 14.269 2.827 -5.060 515 HZ3 LYS 79 2HZ LYS 79 15.076 1.350 -5.223 516 H ILE 80 H ILE 80 8.806 0.726 -6.306 517 HA ILE 80 HA ILE 80 8.669 1.166 -3.438 518 HB ILE 80 HB ILE 80 7.700 -1.211 -5.029 519 HG13 ILE 80 2HG1 ILE 80 6.650 1.487 -4.753 520 HG21 ILE 80 1HG2 ILE 80 6.171 -1.397 -2.983 521 HG22 ILE 80 2HG2 ILE 80 7.854 -1.887 -2.798 522 HG23 ILE 80 3HG2 ILE 80 7.321 -0.320 -2.192 523 HD11 ILE 80 3HD1 ILE 80 5.390 -0.771 -6.262 524 HD12 ILE 80 1HD1 ILE 80 5.330 0.958 -6.602 525 HD13 ILE 80 2HD1 ILE 80 6.829 0.062 -6.852 526 H LYS 81 H LYS 81 10.202 0.510 -2.097 527 HA LYS 81 HA LYS 81 12.341 -1.186 -2.963 528 HB3 LYS 81 2HB LYS 81 12.082 -0.703 -0.074 529 HG3 LYS 81 2HG LYS 81 14.318 0.559 -0.735 530 HD3 LYS 81 2HD LYS 81 15.185 -2.043 -0.933 531 HE3 LYS 81 2HE LYS 81 15.415 -1.941 1.521 532 HZ1 LYS 81 3HZ LYS 81 16.960 -0.287 1.495 533 HZ2 LYS 81 1HZ LYS 81 15.982 0.793 0.635 534 HZ3 LYS 81 2HZ LYS 81 16.749 -0.480 -0.172 535 H GLY 82 H GLY 82 11.829 -3.278 -3.305 536 HA2 GLY 82 2HA GLY 82 11.490 -5.041 -1.158 537 HA3 GLY 82 3HA GLY 82 9.905 -4.744 -1.856 538 H CYS 83 H CYS 83 10.970 -4.415 -4.566 539 HA CYS 83 HA CYS 83 11.714 -7.211 -5.119 540 HB3 CYS 83 2HB CYS 83 9.469 -7.040 -5.830 541 HG CYS 83 HG CYS 83 8.439 -5.078 -7.682 542 HA PRO 84 HA PRO 84 15.106 -5.751 -7.487 543 HB3 PRO 84 2HB PRO 84 15.684 -7.951 -7.811 544 HG3 PRO 84 2HG PRO 84 14.058 -9.583 -8.139 545 HD3 PRO 84 2HD PRO 84 13.219 -8.560 -6.252 546 H SER 85 H SER 85 11.974 -5.956 -8.873 547 HA SER 85 HA SER 85 12.351 -5.202 -11.502 548 HB3 SER 85 2HB SER 85 10.155 -4.356 -9.598 549 HG SER 85 HG SER 85 10.428 -4.121 -12.398 550 H GLU 86 H GLU 86 11.367 -2.859 -9.007 551 HA GLU 86 HA GLU 86 11.755 -0.622 -8.806 552 HB3 GLU 86 2HB GLU 86 14.041 0.054 -8.788 553 HG3 GLU 86 2HG GLU 86 14.210 -2.890 -8.229 554 HA PRO 87 HA PRO 87 11.154 0.021 -13.392 555 HB3 PRO 87 2HB PRO 87 8.970 -0.689 -13.324 556 HG3 PRO 87 2HG PRO 87 7.763 -0.666 -11.337 557 HD3 PRO 87 2HD PRO 87 9.669 -1.751 -10.631 558 H TYR 88 H TYR 88 10.781 1.942 -10.515 559 HA TYR 88 HA TYR 88 11.012 4.167 -10.078 560 HB3 TYR 88 2HB TYR 88 12.725 5.337 -11.589 561 HD1 TYR 88 1HD TYR 88 13.251 5.443 -9.112 562 HD2 TYR 88 2HD TYR 88 14.238 2.082 -11.527 563 HE1 TYR 88 1HE TYR 88 14.878 4.712 -7.418 564 HE2 TYR 88 2HE TYR 88 15.867 1.341 -9.840 565 HH TYR 88 HH TYR 88 16.834 1.783 -7.895 566 H PHE 89 H PHE 89 8.840 4.700 -10.532 567 HA PHE 89 HA PHE 89 8.189 5.671 -13.196 568 HB3 PHE 89 2HB PHE 89 5.911 6.031 -12.196 569 HD1 PHE 89 2HD PHE 89 6.194 4.503 -14.284 570 HD2 PHE 89 1HD PHE 89 6.370 3.124 -10.262 571 HE1 PHE 89 2HE PHE 89 5.674 2.223 -15.047 572 HE2 PHE 89 1HE PHE 89 5.851 0.840 -11.018 573 HZ PHE 89 HZ PHE 89 5.500 0.389 -13.413 574 H GLY 90 H GLY 90 6.545 7.735 -12.874 575 HA2 GLY 90 2HA GLY 90 8.289 9.917 -12.426 576 HA3 GLY 90 3HA GLY 90 6.557 10.025 -12.696 577 H SER 91 H SER 91 5.176 9.455 -10.776 578 HA SER 91 HA SER 91 6.481 10.152 -8.238 579 HB3 SER 91 2HB SER 91 3.879 11.316 -8.249 580 HG SER 91 HG SER 91 6.031 12.996 -8.543 581 H LEU 92 H LEU 92 4.730 9.931 -6.405 582 HA LEU 92 HA LEU 92 4.095 7.255 -6.135 583 HB3 LEU 92 2HB LEU 92 2.313 8.271 -4.457 584 HG LEU 92 HG LEU 92 5.086 7.702 -4.167 585 HD11 LEU 92 1HD1 LEU 92 4.171 10.264 -2.912 586 HD12 LEU 92 2HD1 LEU 92 5.677 9.915 -3.760 587 HD13 LEU 92 3HD1 LEU 92 5.400 9.257 -2.148 588 HD21 LEU 92 3HD2 LEU 92 2.792 6.917 -3.033 589 HD22 LEU 92 1HD2 LEU 92 3.352 8.043 -1.797 590 HD23 LEU 92 2HD2 LEU 92 4.369 6.683 -2.277 591 H SER 93 H SER 93 2.153 9.881 -7.443 592 HA SER 93 HA SER 93 -0.271 8.406 -7.623 593 HB3 SER 93 2HB SER 93 -0.549 10.324 -9.536 594 HG SER 93 HG SER 93 -1.824 10.146 -7.658 595 H ALA 94 H ALA 94 2.479 8.869 -9.750 596 HA ALA 94 HA ALA 94 1.314 7.795 -12.095 597 HB1 ALA 94 1HB ALA 94 4.240 7.752 -11.390 598 HB2 ALA 94 2HB ALA 94 3.512 7.753 -12.997 599 HB3 ALA 94 3HB ALA 94 3.400 9.188 -11.978 600 H LEU 95 H LEU 95 3.308 6.348 -9.536 601 HA LEU 95 HA LEU 95 3.314 3.746 -10.701 602 HB3 LEU 95 2HB LEU 95 5.097 4.288 -9.248 603 HG LEU 95 HG LEU 95 3.605 5.892 -7.770 604 HD11 LEU 95 1HD1 LEU 95 2.524 3.591 -6.925 605 HD12 LEU 95 2HD1 LEU 95 2.641 5.032 -5.918 606 HD13 LEU 95 3HD1 LEU 95 3.837 3.746 -5.758 607 HD21 LEU 95 3HD2 LEU 95 5.522 4.895 -5.942 608 HD22 LEU 95 1HD2 LEU 95 5.640 6.306 -6.994 609 HD23 LEU 95 2HD2 LEU 95 6.195 4.731 -7.565 610 H VAL 96 H VAL 96 1.257 5.431 -8.429 611 HA VAL 96 HA VAL 96 -0.143 3.154 -7.468 612 HB VAL 96 HB VAL 96 -0.730 6.097 -7.453 613 HG11 VAL 96 1HG1 VAL 96 -2.673 5.343 -5.888 614 HG12 VAL 96 2HG1 VAL 96 -2.913 5.371 -7.636 615 HG13 VAL 96 3HG1 VAL 96 -2.585 3.845 -6.814 616 HG21 VAL 96 3HG2 VAL 96 0.704 4.385 -5.788 617 HG22 VAL 96 1HG2 VAL 96 0.210 6.041 -5.437 618 HG23 VAL 96 2HG2 VAL 96 -0.807 4.691 -4.933 619 H SER 97 H SER 97 -0.731 5.453 -10.090 620 HA SER 97 HA SER 97 -3.270 4.377 -10.809 621 HB3 SER 97 2HB SER 97 -1.621 5.814 -12.834 622 HG SER 97 HG SER 97 -3.886 7.000 -12.423 623 H GLN 98 H GLN 98 0.036 3.886 -11.952 624 HA GLN 98 HA GLN 98 -0.666 2.195 -14.126 625 HB3 GLN 98 2HB GLN 98 1.861 1.477 -13.706 626 HG3 GLN 98 2HG GLN 98 2.651 3.388 -14.963 627 HE21 GLN 98 1HE2 GLN 98 -0.311 4.203 -16.156 628 HE22 GLN 98 2HE2 GLN 98 -0.472 2.989 -17.374 629 H HIS 99 H HIS 99 -0.041 1.672 -10.733 630 HA HIS 99 HA HIS 99 0.450 -1.082 -10.753 631 HB3 HIS 99 2HB HIS 99 -0.881 -0.726 -8.395 632 HD1 HIS 99 1HD HIS 99 1.605 -2.247 -9.387 633 HD2 HIS 99 2HD HIS 99 1.745 1.208 -7.083 634 HE1 HIS 99 1HE HIS 99 3.845 -2.292 -8.243 635 H SER 100 H SER 100 -2.431 0.681 -11.349 636 HA SER 100 HA SER 100 -4.169 -1.592 -10.818 637 HB3 SER 100 2HB SER 100 -4.642 1.016 -10.491 638 HG SER 100 HG SER 100 -6.188 1.374 -12.407 639 H ILE 101 H ILE 101 -2.091 -1.038 -13.155 640 HA ILE 101 HA ILE 101 -3.832 -2.195 -15.226 641 HB ILE 101 HB ILE 101 -1.640 -0.175 -15.714 642 HG13 ILE 101 2HG1 ILE 101 -3.835 0.664 -14.728 643 HG21 ILE 101 1HG2 ILE 101 -2.814 -2.145 -17.408 644 HG22 ILE 101 2HG2 ILE 101 -3.291 -0.545 -17.975 645 HG23 ILE 101 3HG2 ILE 101 -1.582 -0.943 -17.795 646 HD11 ILE 101 3HD1 ILE 101 -2.839 2.446 -15.689 647 HD12 ILE 101 1HD1 ILE 101 -2.617 1.631 -17.236 648 HD13 ILE 101 2HD1 ILE 101 -4.196 2.285 -16.802 649 H SER 102 H SER 102 -0.573 -1.849 -13.927 650 HA SER 102 HA SER 102 0.049 -4.532 -14.910 651 HB3 SER 102 2HB SER 102 2.413 -3.571 -15.464 652 HG SER 102 HG SER 102 1.792 -3.486 -17.536 653 HA PRO 103 HA PRO 103 1.274 -3.818 -10.493 654 HB3 PRO 103 2HB PRO 103 -0.726 -4.656 -9.735 655 HG3 PRO 103 2HG PRO 103 -2.007 -6.079 -11.054 656 HD3 PRO 103 2HD PRO 103 -1.618 -4.382 -12.565 657 H ILE 104 H ILE 104 3.235 -4.424 -9.825 658 HA ILE 104 HA ILE 104 4.473 -6.774 -11.071 659 HB ILE 104 HB ILE 104 5.788 -4.513 -9.559 660 HG13 ILE 104 2HG1 ILE 104 4.711 -3.932 -11.779 661 HG21 ILE 104 1HG2 ILE 104 7.558 -5.851 -9.459 662 HG22 ILE 104 2HG2 ILE 104 6.725 -7.097 -10.386 663 HG23 ILE 104 3HG2 ILE 104 7.621 -5.828 -11.221 664 HD11 ILE 104 3HD1 ILE 104 6.262 -2.341 -11.501 665 HD12 ILE 104 1HD1 ILE 104 7.528 -3.497 -11.085 666 HD13 ILE 104 2HD1 ILE 104 7.107 -3.219 -12.776 667 H SER 105 H SER 105 4.621 -5.136 -7.902 668 HA SER 105 HA SER 105 5.132 -7.720 -6.636 669 HB3 SER 105 2HB SER 105 6.446 -5.504 -6.188 670 HG SER 105 HG SER 105 5.551 -4.167 -4.721 671 H LEU 106 H LEU 106 2.507 -7.146 -7.677 672 HA LEU 106 HA LEU 106 0.987 -7.396 -5.179 673 HB3 LEU 106 2HB LEU 106 -0.615 -5.858 -5.759 674 HG LEU 106 HG LEU 106 1.837 -4.699 -7.079 675 HD11 LEU 106 1HD1 LEU 106 0.198 -3.356 -7.956 676 HD12 LEU 106 2HD1 LEU 106 0.518 -2.533 -6.429 677 HD13 LEU 106 3HD1 LEU 106 -0.885 -3.591 -6.585 678 HD21 LEU 106 3HD2 LEU 106 2.569 -4.272 -5.028 679 HD22 LEU 106 1HD2 LEU 106 1.241 -5.241 -4.390 680 HD23 LEU 106 2HD2 LEU 106 1.041 -3.501 -4.598 681 HA PRO 107 HA PRO 107 -0.895 -10.887 -7.061 682 HB3 PRO 107 2HB PRO 107 -1.919 -11.277 -5.042 683 HG3 PRO 107 2HG PRO 107 -2.682 -9.519 -3.725 684 HD3 PRO 107 2HD PRO 107 -0.538 -8.790 -4.155 685 H CYS 108 H CYS 108 -2.848 -7.923 -7.097 686 HA CYS 108 HA CYS 108 -3.508 -8.410 -9.886 687 HB3 CYS 108 2HB CYS 108 -5.845 -7.610 -8.260 688 HG CYS 108 HG CYS 108 -6.997 -9.900 -9.922 689 H CYS 109 H CYS 109 -4.714 -6.501 -10.821 690 HA CYS 109 HA CYS 109 -3.276 -4.171 -10.502 691 HB3 CYS 109 2HB CYS 109 -4.563 -4.451 -12.483 692 HG CYS 109 HG CYS 109 -6.628 -6.150 -11.346 693 H LEU 110 H LEU 110 -3.226 -2.613 -9.024 694 HA LEU 110 HA LEU 110 -4.556 -2.688 -6.613 695 HB3 LEU 110 2HB LEU 110 -3.724 -0.098 -7.880 696 HG LEU 110 HG LEU 110 -2.716 0.355 -5.644 697 HD11 LEU 110 1HD1 LEU 110 -5.501 -0.033 -4.912 698 HD12 LEU 110 2HD1 LEU 110 -5.310 0.673 -6.516 699 HD13 LEU 110 3HD1 LEU 110 -4.579 1.457 -5.115 700 HD21 LEU 110 3HD2 LEU 110 -2.985 -1.021 -3.838 701 HD22 LEU 110 1HD2 LEU 110 -2.866 -2.224 -5.122 702 HD23 LEU 110 2HD2 LEU 110 -4.446 -1.770 -4.484 703 H ARG 111 H ARG 111 -6.478 -2.016 -5.848 704 HA ARG 111 HA ARG 111 -8.363 -0.879 -7.787 705 HB3 ARG 111 2HB ARG 111 -9.592 -1.642 -5.303 706 HG3 ARG 111 2HG ARG 111 -10.732 -1.587 -7.487 707 HD3 ARG 111 2HD ARG 111 -8.574 -3.340 -8.207 708 HE ARG 111 HE ARG 111 -9.741 -5.286 -8.412 709 HH11 ARG 111 1HH1 ARG 111 -11.869 -2.633 -9.158 710 HH12 ARG 111 2HH1 ARG 111 -13.189 -3.653 -9.627 711 HH21 ARG 111 1HH2 ARG 111 -11.471 -6.639 -9.027 712 HH22 ARG 111 2HH2 ARG 111 -12.962 -5.932 -9.551 713 H ILE 112 H ILE 112 -8.766 1.221 -7.679 714 HA ILE 112 HA ILE 112 -7.840 2.893 -5.606 715 HB ILE 112 HB ILE 112 -9.556 3.273 -8.006 716 HG13 ILE 112 2HG1 ILE 112 -6.899 3.590 -7.474 717 HG21 ILE 112 1HG2 ILE 112 -9.791 5.722 -7.246 718 HG22 ILE 112 2HG2 ILE 112 -10.909 4.527 -6.589 719 HG23 ILE 112 3HG2 ILE 112 -9.545 5.084 -5.621 720 HD11 ILE 112 3HD1 ILE 112 -7.557 3.559 -9.714 721 HD12 ILE 112 1HD1 ILE 112 -8.611 4.958 -9.515 722 HD13 ILE 112 2HD1 ILE 112 -6.860 5.161 -9.469 723 HA PRO 113 HA PRO 113 -12.464 3.212 -4.228 724 HB3 PRO 113 2HB PRO 113 -13.870 2.986 -6.031 725 HG3 PRO 113 2HG PRO 113 -13.332 1.579 -7.801 726 HD3 PRO 113 2HD PRO 113 -11.365 2.769 -7.628 727 H SER 114 H SER 114 -14.038 1.694 -2.979 728 HA SER 114 HA SER 114 -12.881 -0.863 -2.246 729 HB3 SER 114 2HB SER 114 -13.173 1.359 -0.208 730 HG SER 114 HG SER 114 -12.149 -1.265 0.123 731 H LYS 115 H LYS 115 -14.983 -1.336 -3.285 732 HA LYS 115 HA LYS 115 -16.970 -1.836 -1.293 733 HB3 LYS 115 2HB LYS 115 -17.619 0.437 -1.718 734 HG3 LYS 115 2HG LYS 115 -17.562 -0.307 -4.630 735 HD3 LYS 115 2HD LYS 115 -19.410 1.390 -3.310 736 HE3 LYS 115 2HE LYS 115 -17.262 2.823 -4.846 737 HZ1 LYS 115 3HZ LYS 115 -19.145 4.678 -4.386 738 HZ2 LYS 115 1HZ LYS 115 -20.102 3.350 -4.812 739 HZ3 LYS 115 2HZ LYS 115 -18.910 3.908 -5.874 Start of MODEL 10 1 H1 MET 1 H MET 1 -17.644 2.562 -0.926 2 HA MET 1 HA MET 1 -17.758 5.389 -1.654 3 HB3 MET 1 2HB MET 1 -18.829 6.041 0.408 4 HG3 MET 1 2HG MET 1 -20.820 4.060 0.064 5 HE1 MET 1 3HE MET 1 -21.945 7.397 -2.549 6 HE2 MET 1 1HE MET 1 -20.982 5.954 -2.871 7 HE3 MET 1 2HE MET 1 -22.671 5.798 -2.388 8 H ASP 2 H ASP 2 -15.675 5.928 -1.535 9 HA ASP 2 HA ASP 2 -14.311 6.043 0.924 10 HB3 ASP 2 2HB ASP 2 -13.862 3.745 0.858 11 H THR 3 H THR 3 -13.064 7.774 0.748 12 HA THR 3 HA THR 3 -12.101 8.551 -1.919 13 HB THR 3 HB THR 3 -11.659 10.732 -0.291 14 HG1 THR 3 1HG THR 3 -12.855 10.114 1.426 15 HG21 THR 3 3HG2 THR 3 -13.919 11.500 -1.349 16 HG22 THR 3 1HG2 THR 3 -13.829 9.958 -2.201 17 HG23 THR 3 2HG2 THR 3 -12.540 11.147 -2.390 18 H SER 4 H SER 4 -9.999 9.750 -1.941 19 HA SER 4 HA SER 4 -7.955 8.138 -0.857 20 HB3 SER 4 2HB SER 4 -7.365 9.229 -2.840 21 HG SER 4 HG SER 4 -8.006 11.190 -3.350 22 H LYS 5 H LYS 5 -9.507 11.056 0.252 23 HA LYS 5 HA LYS 5 -7.573 11.840 2.160 24 HB3 LYS 5 2HB LYS 5 -9.236 13.421 1.456 25 HG3 LYS 5 2HG LYS 5 -11.076 11.270 1.803 26 HD3 LYS 5 2HD LYS 5 -11.420 13.593 3.619 27 HE3 LYS 5 2HE LYS 5 -13.952 12.991 3.492 28 HZ1 LYS 5 3HZ LYS 5 -12.418 15.004 2.340 29 HZ2 LYS 5 1HZ LYS 5 -14.061 15.057 2.744 30 HZ3 LYS 5 2HZ LYS 5 -13.586 14.574 1.194 31 H PHE 6 H PHE 6 -10.055 9.422 2.161 32 HA PHE 6 HA PHE 6 -9.932 9.059 5.044 33 HB3 PHE 6 2HB PHE 6 -11.357 6.940 3.781 34 HD1 PHE 6 2HD PHE 6 -11.685 6.680 6.225 35 HD2 PHE 6 1HD PHE 6 -13.178 10.043 4.085 36 HE1 PHE 6 2HE PHE 6 -13.204 7.189 8.092 37 HE2 PHE 6 1HE PHE 6 -14.698 10.558 5.950 38 HZ PHE 6 HZ PHE 6 -14.713 9.131 7.956 39 H TRP 7 H TRP 7 -8.581 7.719 2.157 40 HA TRP 7 HA TRP 7 -7.592 5.359 3.571 41 HB3 TRP 7 2HB TRP 7 -6.612 4.893 1.203 42 HD1 TRP 7 HD TRP 7 -9.678 4.754 3.248 43 HE1 TRP 7 1HE TRP 7 -11.249 2.897 2.404 44 HE3 TRP 7 3HE TRP 7 -7.448 3.787 -1.250 45 HZ2 TRP 7 2HZ TRP 7 -11.507 1.242 0.132 46 HZ3 TRP 7 3HZ TRP 7 -8.419 2.051 -2.698 47 HH2 TRP 7 HH TRP 7 -10.406 0.806 -2.020 48 H TYR 8 H TYR 8 -6.660 8.489 3.138 49 HA TYR 8 HA TYR 8 -3.795 7.807 3.185 50 HB3 TYR 8 2HB TYR 8 -5.200 10.325 2.287 51 HD1 TYR 8 1HD TYR 8 -1.858 8.825 2.960 52 HD2 TYR 8 2HD TYR 8 -4.072 12.357 2.110 53 HE1 TYR 8 1HE TYR 8 0.162 10.175 3.340 54 HE2 TYR 8 2HE TYR 8 -2.058 13.717 2.486 55 HH TYR 8 HH TYR 8 0.095 13.714 3.007 56 H LYS 9 H LYS 9 -3.093 7.738 5.214 57 HA LYS 9 HA LYS 9 -3.647 10.022 6.959 58 HB3 LYS 9 2HB LYS 9 -3.949 8.454 8.891 59 HG3 LYS 9 2HG LYS 9 -6.241 7.635 8.258 60 HD3 LYS 9 2HD LYS 9 -6.161 10.451 7.372 61 HE3 LYS 9 2HE LYS 9 -7.469 9.055 9.706 62 HZ1 LYS 9 3HZ LYS 9 -7.668 11.786 8.615 63 HZ2 LYS 9 1HZ LYS 9 -7.530 11.290 10.226 64 HZ3 LYS 9 2HZ LYS 9 -8.992 11.083 9.400 65 HA PRO 10 HA PRO 10 0.805 9.475 7.144 66 HB3 PRO 10 2HB PRO 10 0.970 11.716 6.667 67 HG3 PRO 10 2HG PRO 10 -0.714 13.199 7.278 68 HD3 PRO 10 2HD PRO 10 -1.975 11.576 6.234 69 H HIS 11 H HIS 11 -1.278 10.450 9.835 70 HA HIS 11 HA HIS 11 0.617 9.818 11.870 71 HB3 HIS 11 2HB HIS 11 -1.344 10.014 13.403 72 HD1 HIS 11 1HD HIS 11 -3.034 12.555 11.788 73 HD2 HIS 11 2HD HIS 11 0.925 12.150 12.979 74 HE1 HIS 11 1HE HIS 11 -2.136 14.898 11.942 75 H LEU 12 H LEU 12 -1.664 7.994 10.031 76 HA LEU 12 HA LEU 12 -2.139 5.847 11.764 77 HB3 LEU 12 2HB LEU 12 -1.853 5.528 8.796 78 HG LEU 12 HG LEU 12 -2.574 3.529 10.083 79 HD11 LEU 12 1HD1 LEU 12 -3.760 4.405 11.908 80 HD12 LEU 12 2HD1 LEU 12 -4.979 3.623 10.902 81 HD13 LEU 12 3HD1 LEU 12 -4.805 5.378 10.872 82 HD21 LEU 12 3HD2 LEU 12 -3.525 4.503 7.714 83 HD22 LEU 12 1HD2 LEU 12 -5.012 4.174 8.604 84 HD23 LEU 12 2HD2 LEU 12 -3.834 2.886 8.348 85 H SER 13 H SER 13 -1.121 3.892 12.094 86 HA SER 13 HA SER 13 1.710 3.827 11.335 87 HB3 SER 13 2HB SER 13 0.175 2.378 13.503 88 HG SER 13 HG SER 13 2.823 2.188 13.761 89 H ARG 14 H ARG 14 2.634 1.603 10.962 90 HA ARG 14 HA ARG 14 1.485 0.437 8.711 91 HB3 ARG 14 2HB ARG 14 3.825 0.160 9.118 92 HG3 ARG 14 2HG ARG 14 3.261 -0.151 11.753 93 HD3 ARG 14 2HD ARG 14 4.450 -2.785 11.043 94 HE ARG 14 HE ARG 14 2.686 -2.669 13.262 95 HH11 ARG 14 1HH1 ARG 14 5.856 -1.699 12.199 96 HH12 ARG 14 2HH1 ARG 14 6.529 -1.682 13.795 97 HH21 ARG 14 1HH2 ARG 14 3.561 -2.651 15.368 98 HH22 ARG 14 2HH2 ARG 14 5.222 -2.224 15.597 99 H ASP 15 H ASP 15 1.430 -0.649 12.091 100 HA ASP 15 HA ASP 15 0.041 -3.041 11.712 101 HB3 ASP 15 2HB ASP 15 -0.729 -1.729 14.180 102 H GLN 16 H GLN 16 -1.160 0.247 12.242 103 HA GLN 16 HA GLN 16 -3.889 -0.406 12.438 104 HB3 GLN 16 2HB GLN 16 -4.265 1.992 11.833 105 HG3 GLN 16 2HG GLN 16 -2.225 2.632 13.646 106 HE21 GLN 16 1HE2 GLN 16 -5.094 0.745 14.420 107 HE22 GLN 16 2HE2 GLN 16 -6.019 2.064 15.042 108 H ALA 17 H ALA 17 -1.851 0.408 9.667 109 HA ALA 17 HA ALA 17 -3.906 0.512 7.740 110 HB1 ALA 17 1HB ALA 17 -1.590 1.397 7.452 111 HB2 ALA 17 2HB ALA 17 -1.038 -0.266 7.251 112 HB3 ALA 17 3HB ALA 17 -2.174 0.430 6.097 113 H ILE 18 H ILE 18 -1.875 -2.136 8.906 114 HA ILE 18 HA ILE 18 -2.734 -4.067 7.031 115 HB ILE 18 HB ILE 18 -1.672 -4.484 9.827 116 HG13 ILE 18 2HG1 ILE 18 -0.277 -3.223 8.029 117 HG21 ILE 18 1HG2 ILE 18 -2.467 -6.338 7.673 118 HG22 ILE 18 2HG2 ILE 18 -0.941 -6.689 8.483 119 HG23 ILE 18 3HG2 ILE 18 -2.431 -6.573 9.420 120 HD11 ILE 18 3HD1 ILE 18 1.290 -5.570 8.859 121 HD12 ILE 18 1HD1 ILE 18 1.627 -3.849 9.045 122 HD13 ILE 18 2HD1 ILE 18 0.514 -4.654 10.150 123 H ALA 19 H ALA 19 -3.885 -3.193 10.261 124 HA ALA 19 HA ALA 19 -5.811 -5.259 10.474 125 HB1 ALA 19 1HB ALA 19 -4.846 -3.809 12.336 126 HB2 ALA 19 2HB ALA 19 -6.024 -2.594 11.841 127 HB3 ALA 19 3HB ALA 19 -6.571 -4.172 12.408 128 H LEU 20 H LEU 20 -5.910 -1.991 9.169 129 HA LEU 20 HA LEU 20 -8.738 -1.928 8.802 130 HB3 LEU 20 2HB LEU 20 -6.816 -0.294 7.192 131 HG LEU 20 HG LEU 20 -9.455 -0.042 7.208 132 HD11 LEU 20 1HD1 LEU 20 -8.569 1.612 9.567 133 HD12 LEU 20 2HD1 LEU 20 -9.662 0.229 9.610 134 HD13 LEU 20 3HD1 LEU 20 -10.145 1.708 8.779 135 HD21 LEU 20 3HD2 LEU 20 -9.073 1.883 6.104 136 HD22 LEU 20 1HD2 LEU 20 -7.379 1.430 6.298 137 HD23 LEU 20 2HD2 LEU 20 -8.121 2.573 7.419 138 H LEU 21 H LEU 21 -6.022 -3.015 6.897 139 HA LEU 21 HA LEU 21 -7.483 -3.233 4.440 140 HB3 LEU 21 2HB LEU 21 -5.425 -4.794 3.938 141 HG LEU 21 HG LEU 21 -5.078 -1.824 4.342 142 HD11 LEU 21 1HD1 LEU 21 -3.168 -2.081 2.784 143 HD12 LEU 21 2HD1 LEU 21 -3.317 -3.831 2.947 144 HD13 LEU 21 3HD1 LEU 21 -2.907 -2.848 4.352 145 HD21 LEU 21 3HD2 LEU 21 -5.934 -1.525 2.282 146 HD22 LEU 21 1HD2 LEU 21 -6.722 -3.072 2.598 147 HD23 LEU 21 2HD2 LEU 21 -5.232 -3.019 1.656 148 H LYS 22 H LYS 22 -6.556 -5.439 7.036 149 HA LYS 22 HA LYS 22 -7.606 -7.770 5.752 150 HB3 LYS 22 2HB LYS 22 -5.805 -7.708 7.547 151 HG3 LYS 22 2HG LYS 22 -8.197 -7.501 9.365 152 HD3 LYS 22 2HD LYS 22 -5.379 -7.570 10.321 153 HE3 LYS 22 2HE LYS 22 -8.102 -8.022 11.372 154 HZ1 LYS 22 3HZ LYS 22 -7.676 -9.892 12.449 155 HZ2 LYS 22 1HZ LYS 22 -6.321 -9.196 13.183 156 HZ3 LYS 22 2HZ LYS 22 -6.161 -10.008 11.708 157 H ASP 23 H ASP 23 -9.022 -5.151 7.334 158 HA ASP 23 HA ASP 23 -11.443 -6.706 7.961 159 HB3 ASP 23 2HB ASP 23 -10.966 -3.895 8.905 160 H LYS 24 H LYS 24 -10.224 -5.052 5.495 161 HA LYS 24 HA LYS 24 -12.808 -3.825 4.781 162 HB3 LYS 24 2HB LYS 24 -11.253 -2.499 3.131 163 HG3 LYS 24 2HG LYS 24 -10.595 -0.951 5.171 164 HD3 LYS 24 2HD LYS 24 -13.365 -1.489 4.119 165 HE3 LYS 24 2HE LYS 24 -13.749 0.920 4.907 166 HZ1 LYS 24 3HZ LYS 24 -13.518 -1.108 7.059 167 HZ2 LYS 24 1HZ LYS 24 -14.768 -1.100 5.918 168 HZ3 LYS 24 2HZ LYS 24 -14.590 0.200 6.987 169 H ASP 25 H ASP 25 -13.002 -3.621 2.298 170 HA ASP 25 HA ASP 25 -13.088 -6.217 1.216 171 HB3 ASP 25 2HB ASP 25 -13.484 -4.899 -0.983 172 HA PRO 26 HA PRO 26 -9.128 -6.852 -0.560 173 HB3 PRO 26 2HB PRO 26 -9.871 -8.932 -1.192 174 HG3 PRO 26 2HG PRO 26 -12.054 -9.254 -1.925 175 HD3 PRO 26 2HD PRO 26 -12.456 -8.094 0.026 176 H GLY 27 H GLY 27 -7.693 -6.056 -2.090 177 HA2 GLY 27 2HA GLY 27 -7.039 -4.944 -4.049 178 HA3 GLY 27 3HA GLY 27 -8.726 -4.587 -4.384 179 H ALA 28 H ALA 28 -8.724 -3.712 -1.373 180 HA ALA 28 HA ALA 28 -8.432 -0.927 -1.939 181 HB1 ALA 28 1HB ALA 28 -10.082 -1.220 -0.395 182 HB2 ALA 28 2HB ALA 28 -9.247 -2.549 0.410 183 HB3 ALA 28 3HB ALA 28 -8.732 -0.886 0.690 184 H PHE 29 H PHE 29 -6.964 0.546 -1.024 185 HA PHE 29 HA PHE 29 -4.566 -0.604 0.218 186 HB3 PHE 29 2HB PHE 29 -4.268 -0.227 -2.278 187 HD1 PHE 29 2HD PHE 29 -6.420 1.326 -2.724 188 HD2 PHE 29 1HD PHE 29 -2.509 2.700 -1.756 189 HE1 PHE 29 2HE PHE 29 -6.928 3.496 -3.767 190 HE2 PHE 29 1HE PHE 29 -3.012 4.872 -2.796 191 HZ PHE 29 HZ PHE 29 -5.223 5.272 -3.805 192 H LEU 30 H LEU 30 -3.141 1.126 1.160 193 HA LEU 30 HA LEU 30 -4.503 3.600 1.855 194 HB3 LEU 30 2HB LEU 30 -3.723 1.498 3.861 195 HG LEU 30 HG LEU 30 -3.840 4.390 4.289 196 HD11 LEU 30 1HD1 LEU 30 -6.135 3.392 5.037 197 HD12 LEU 30 2HD1 LEU 30 -5.260 4.502 6.091 198 HD13 LEU 30 3HD1 LEU 30 -5.195 2.765 6.391 199 HD21 LEU 30 3HD2 LEU 30 -3.101 2.600 6.479 200 HD22 LEU 30 1HD2 LEU 30 -2.195 3.915 5.728 201 HD23 LEU 30 2HD2 LEU 30 -2.204 2.315 4.986 202 H ILE 31 H ILE 31 -3.123 5.243 2.497 203 HA ILE 31 HA ILE 31 -0.251 4.623 2.255 204 HB ILE 31 HB ILE 31 -1.618 7.253 1.671 205 HG13 ILE 31 2HG1 ILE 31 -2.151 5.400 0.061 206 HG21 ILE 31 1HG2 ILE 31 1.203 6.372 1.787 207 HG22 ILE 31 2HG2 ILE 31 0.754 7.439 0.459 208 HG23 ILE 31 3HG2 ILE 31 0.490 7.949 2.126 209 HD11 ILE 31 3HD1 ILE 31 -0.368 7.413 -1.265 210 HD12 ILE 31 1HD1 ILE 31 -1.790 6.603 -1.920 211 HD13 ILE 31 2HD1 ILE 31 -1.972 7.818 -0.654 212 H ARG 32 H ARG 32 1.156 5.351 3.782 213 HA ARG 32 HA ARG 32 0.138 7.078 5.918 214 HB3 ARG 32 2HB ARG 32 -0.069 4.638 6.559 215 HG3 ARG 32 2HG ARG 32 2.681 4.402 7.394 216 HD3 ARG 32 2HD ARG 32 1.044 2.599 5.623 217 HE ARG 32 HE ARG 32 3.517 2.219 7.038 218 HH11 ARG 32 1HH1 ARG 32 0.671 0.662 5.774 219 HH12 ARG 32 2HH1 ARG 32 1.420 -0.894 5.647 220 HH21 ARG 32 1HH2 ARG 32 4.515 0.174 6.875 221 HH22 ARG 32 2HH2 ARG 32 3.606 -1.171 6.274 222 H ASP 33 H ASP 33 1.912 7.882 7.336 223 HA ASP 33 HA ASP 33 4.058 8.861 5.725 224 HB3 ASP 33 2HB ASP 33 3.842 9.095 8.725 225 H SER 34 H SER 34 5.902 7.860 5.313 226 HA SER 34 HA SER 34 6.714 5.597 6.963 227 HB3 SER 34 2HB SER 34 8.275 6.450 4.565 228 HG SER 34 HG SER 34 8.955 4.501 4.893 229 H HIS 35 H HIS 35 7.468 6.675 8.810 230 HA HIS 35 HA HIS 35 9.451 8.724 8.679 231 HB3 HIS 35 2HB HIS 35 9.426 7.291 11.197 232 HD1 HIS 35 1HD HIS 35 7.054 9.664 11.881 233 HD2 HIS 35 2HD HIS 35 10.993 9.987 10.598 234 HE1 HIS 35 1HE HIS 35 7.784 11.981 12.530 235 H SER 36 H SER 36 9.570 5.390 8.251 236 HA SER 36 HA SER 36 11.918 4.571 9.447 237 HB3 SER 36 2HB SER 36 10.931 3.784 6.694 238 HG SER 36 HG SER 36 12.300 2.162 6.829 239 H PHE 37 H PHE 37 11.528 6.067 6.243 240 HA PHE 37 HA PHE 37 14.278 7.052 6.438 241 HB3 PHE 37 2HB PHE 37 14.595 6.477 3.994 242 HD1 PHE 37 1HD PHE 37 16.625 5.833 5.200 243 HD2 PHE 37 2HD PHE 37 13.143 3.385 5.225 244 HE1 PHE 37 1HE PHE 37 17.968 3.937 6.013 245 HE2 PHE 37 2HE PHE 37 14.479 1.486 6.037 246 HZ PHE 37 HZ PHE 37 16.894 1.760 6.433 247 H GLN 38 H GLN 38 14.709 8.923 5.189 248 HA GLN 38 HA GLN 38 12.573 10.749 5.036 249 HB3 GLN 38 2HB GLN 38 14.179 12.284 4.043 250 HG3 GLN 38 2HG GLN 38 16.219 11.207 5.677 251 HE21 GLN 38 1HE2 GLN 38 13.550 12.545 7.353 252 HE22 GLN 38 2HE2 GLN 38 14.111 14.179 7.404 253 H GLY 39 H GLY 39 11.481 11.646 3.291 254 HA2 GLY 39 2HA GLY 39 10.402 11.614 1.265 255 HA3 GLY 39 3HA GLY 39 11.957 11.148 0.589 256 H ALA 40 H ALA 40 9.959 9.347 2.888 257 HA ALA 40 HA ALA 40 9.519 7.311 0.806 258 HB1 ALA 40 1HB ALA 40 10.186 6.717 3.686 259 HB2 ALA 40 2HB ALA 40 9.948 5.548 2.385 260 HB3 ALA 40 3HB ALA 40 11.335 6.636 2.350 261 H TYR 41 H TYR 41 7.583 6.169 0.910 262 HA TYR 41 HA TYR 41 5.640 7.072 2.925 263 HB3 TYR 41 2HB TYR 41 3.920 6.917 1.016 264 HD1 TYR 41 1HD TYR 41 6.639 9.005 -0.281 265 HD2 TYR 41 2HD TYR 41 3.255 8.868 2.295 266 HE1 TYR 41 1HE TYR 41 6.651 11.462 -0.144 267 HE2 TYR 41 2HE TYR 41 3.256 11.324 2.438 268 HH TYR 41 HH TYR 41 5.845 13.221 1.434 269 H GLY 42 H GLY 42 4.367 5.516 3.779 270 HA2 GLY 42 2HA GLY 42 4.989 2.768 3.090 271 HA3 GLY 42 3HA GLY 42 4.002 3.310 4.439 272 H LEU 43 H LEU 43 3.937 1.729 1.541 273 HA LEU 43 HA LEU 43 1.124 2.429 1.036 274 HB3 LEU 43 2HB LEU 43 3.171 1.138 -0.760 275 HG LEU 43 HG LEU 43 0.800 0.387 -1.246 276 HD11 LEU 43 1HD1 LEU 43 -0.380 2.270 -2.639 277 HD12 LEU 43 2HD1 LEU 43 0.522 3.334 -1.562 278 HD13 LEU 43 3HD1 LEU 43 -0.608 2.158 -0.894 279 HD21 LEU 43 3HD2 LEU 43 2.044 2.010 -3.450 280 HD22 LEU 43 1HD2 LEU 43 1.116 0.516 -3.581 281 HD23 LEU 43 2HD2 LEU 43 2.733 0.491 -2.876 282 H ALA 44 H ALA 44 -0.377 1.005 1.595 283 HA ALA 44 HA ALA 44 0.418 -1.813 1.936 284 HB1 ALA 44 1HB ALA 44 -1.826 -0.495 3.437 285 HB2 ALA 44 2HB ALA 44 -1.017 -2.023 3.787 286 HB3 ALA 44 3HB ALA 44 -0.166 -0.497 4.031 287 H LEU 45 H LEU 45 -0.839 -3.378 1.037 288 HA LEU 45 HA LEU 45 -3.341 -2.571 -0.267 289 HB3 LEU 45 2HB LEU 45 -1.161 -4.209 -1.554 290 HG LEU 45 HG LEU 45 -3.238 -4.974 -2.474 291 HD11 LEU 45 1HD1 LEU 45 -5.012 -3.644 -2.284 292 HD12 LEU 45 2HD1 LEU 45 -4.421 -2.807 -3.719 293 HD13 LEU 45 3HD1 LEU 45 -4.010 -2.203 -2.114 294 HD21 LEU 45 3HD2 LEU 45 -2.086 -2.934 -4.369 295 HD22 LEU 45 1HD2 LEU 45 -2.924 -4.430 -4.783 296 HD23 LEU 45 2HD2 LEU 45 -1.338 -4.491 -4.014 297 H LYS 46 H LYS 46 -4.934 -4.106 -0.302 298 HA LYS 46 HA LYS 46 -4.413 -6.507 1.298 299 HB3 LYS 46 2HB LYS 46 -6.993 -5.117 0.557 300 HG3 LYS 46 2HG LYS 46 -7.293 -7.578 0.789 301 HD3 LYS 46 2HD LYS 46 -6.605 -7.132 3.686 302 HE3 LYS 46 2HE LYS 46 -6.685 -9.527 3.834 303 HZ1 LYS 46 3HZ LYS 46 -9.087 -9.164 2.244 304 HZ2 LYS 46 1HZ LYS 46 -8.869 -8.050 3.499 305 HZ3 LYS 46 2HZ LYS 46 -8.913 -9.707 3.836 306 H VAL 47 H VAL 47 -4.512 -8.500 0.457 307 HA VAL 47 HA VAL 47 -5.072 -8.754 -2.397 308 HB VAL 47 HB VAL 47 -4.035 -10.940 -2.259 309 HG11 VAL 47 1HG1 VAL 47 -2.080 -9.481 -0.637 310 HG12 VAL 47 2HG1 VAL 47 -1.954 -10.100 -2.285 311 HG13 VAL 47 3HG1 VAL 47 -2.748 -8.555 -1.981 312 HG21 VAL 47 3HG2 VAL 47 -2.942 -11.065 0.307 313 HG22 VAL 47 1HG2 VAL 47 -4.642 -10.654 0.543 314 HG23 VAL 47 2HG2 VAL 47 -4.203 -12.100 -0.367 315 H ALA 48 H ALA 48 -6.594 -10.142 -3.255 316 HA ALA 48 HA ALA 48 -8.906 -10.625 -1.642 317 HB1 ALA 48 1HB ALA 48 -9.086 -12.007 -4.122 318 HB2 ALA 48 2HB ALA 48 -9.905 -10.527 -3.618 319 HB3 ALA 48 3HB ALA 48 -8.329 -10.439 -4.405 320 H THR 49 H THR 49 -6.140 -12.465 -2.557 321 HA THR 49 HA THR 49 -7.036 -14.686 -0.939 322 HB THR 49 HB THR 49 -6.128 -16.103 -3.120 323 HG1 THR 49 1HG THR 49 -6.923 -15.216 -4.923 324 HG21 THR 49 3HG2 THR 49 -8.594 -15.725 -1.663 325 HG22 THR 49 1HG2 THR 49 -7.936 -17.190 -2.394 326 HG23 THR 49 2HG2 THR 49 -8.909 -16.081 -3.362 327 HA PRO 50 HA PRO 50 -2.753 -15.103 -0.072 328 HB3 PRO 50 2HB PRO 50 -3.323 -16.720 1.457 329 HG3 PRO 50 2HG PRO 50 -5.028 -18.239 1.019 330 HD3 PRO 50 2HD PRO 50 -6.111 -16.268 0.511 331 HA PRO 51 HA PRO 51 -0.377 -16.184 -3.610 332 HB3 PRO 51 2HB PRO 51 1.474 -15.414 -2.489 333 HG3 PRO 51 2HG PRO 51 1.741 -15.795 -0.211 334 HD3 PRO 51 2HD PRO 51 -0.406 -14.957 -0.224 335 HA PRO 52 HA PRO 52 -0.634 -20.442 -4.675 336 HB3 PRO 52 2HB PRO 52 0.176 -19.889 -6.753 337 HG3 PRO 52 2HG PRO 52 1.851 -18.294 -7.002 338 HD3 PRO 52 2HD PRO 52 0.393 -17.131 -5.649 339 H SER 53 H SER 53 -0.367 -21.380 -2.599 340 HA SER 53 HA SER 53 1.716 -23.219 -2.354 341 HB3 SER 53 2HB SER 53 3.326 -21.690 -1.728 342 HG SER 53 HG SER 53 2.814 -19.831 -0.449 343 H ALA 54 H ALA 54 -0.750 -21.288 -0.804 344 HA ALA 54 HA ALA 54 -2.432 -21.845 0.629 345 HB1 ALA 54 1HB ALA 54 -2.394 -23.953 -0.852 346 HB2 ALA 54 2HB ALA 54 -1.602 -24.721 0.523 347 HB3 ALA 54 3HB ALA 54 -3.215 -24.032 0.707 348 H GLN 55 H GLN 55 -0.717 -20.697 2.024 349 HA GLN 55 HA GLN 55 0.164 -22.495 4.184 350 HB3 GLN 55 2HB GLN 55 1.602 -20.364 4.747 351 HG3 GLN 55 2HG GLN 55 2.193 -22.274 2.509 352 HE21 GLN 55 1HE2 GLN 55 4.646 -22.613 2.408 353 HE22 GLN 55 2HE2 GLN 55 5.593 -21.176 2.248 354 HA PRO 56 HA PRO 56 -3.304 -20.026 5.968 355 HB3 PRO 56 2HB PRO 56 -4.731 -21.814 5.747 356 HG3 PRO 56 2HG PRO 56 -3.917 -23.989 5.619 357 HD3 PRO 56 2HD PRO 56 -2.594 -22.975 4.026 358 H TRP 57 H TRP 57 -3.255 -18.995 7.898 359 HA TRP 57 HA TRP 57 -2.594 -18.361 9.980 360 HB3 TRP 57 2HB TRP 57 -1.371 -20.559 11.164 361 HD1 TRP 57 HD TRP 57 -2.647 -18.313 12.609 362 HE1 TRP 57 1HE TRP 57 -4.822 -18.515 13.971 363 HE3 TRP 57 3HE TRP 57 -4.574 -22.521 10.439 364 HZ2 TRP 57 2HZ TRP 57 -7.058 -20.233 14.108 365 HZ3 TRP 57 3HZ TRP 57 -6.735 -23.378 11.243 366 HH2 TRP 57 HH TRP 57 -7.950 -22.257 13.041 367 H LYS 58 H LYS 58 -0.116 -20.851 9.559 368 HA LYS 58 HA LYS 58 2.162 -20.719 9.633 369 HB3 LYS 58 2HB LYS 58 2.324 -18.246 8.064 370 HG3 LYS 58 2HG LYS 58 4.105 -19.988 8.182 371 HD3 LYS 58 2HD LYS 58 2.647 -21.580 6.149 372 HE3 LYS 58 2HE LYS 58 5.035 -21.760 7.653 373 HZ1 LYS 58 3HZ LYS 58 3.447 -24.204 8.075 374 HZ2 LYS 58 1HZ LYS 58 3.413 -22.966 9.228 375 HZ3 LYS 58 2HZ LYS 58 4.877 -23.716 8.834 376 H GLY 59 H GLY 59 0.721 -19.291 11.728 377 HA2 GLY 59 2HA GLY 59 1.468 -18.131 13.595 378 HA3 GLY 59 3HA GLY 59 2.948 -17.749 12.728 379 H ASP 60 H ASP 60 2.273 -16.320 10.629 380 HA ASP 60 HA ASP 60 0.634 -14.106 11.674 381 HB3 ASP 60 2HB ASP 60 2.200 -12.617 10.308 382 HA PRO 61 HA PRO 61 -1.127 -15.537 7.635 383 HB3 PRO 61 2HB PRO 61 -2.699 -16.822 8.710 384 HG3 PRO 61 2HG PRO 61 -3.323 -16.367 10.904 385 HD3 PRO 61 2HD PRO 61 -1.030 -16.372 11.136 386 H VAL 62 H VAL 62 -2.280 -12.985 9.824 387 HA VAL 62 HA VAL 62 -3.678 -11.425 8.009 388 HB VAL 62 HB VAL 62 -3.737 -10.958 10.390 389 HG11 VAL 62 1HG1 VAL 62 -1.317 -11.486 10.778 390 HG12 VAL 62 2HG1 VAL 62 -0.934 -9.882 10.148 391 HG13 VAL 62 3HG1 VAL 62 -1.906 -10.048 11.611 392 HG21 VAL 62 3HG2 VAL 62 -3.479 -8.501 10.316 393 HG22 VAL 62 1HG2 VAL 62 -2.641 -8.661 8.772 394 HG23 VAL 62 2HG2 VAL 62 -4.332 -9.140 8.911 395 H GLU 63 H GLU 63 -0.216 -11.579 8.638 396 HA GLU 63 HA GLU 63 0.470 -9.321 7.047 397 HB3 GLU 63 2HB GLU 63 2.480 -11.463 7.368 398 HG3 GLU 63 2HG GLU 63 2.965 -8.930 8.691 399 H GLN 64 H GLN 64 -0.255 -12.620 6.354 400 HA GLN 64 HA GLN 64 1.053 -12.671 3.790 401 HB3 GLN 64 2HB GLN 64 -0.137 -14.834 3.508 402 HG3 GLN 64 2HG GLN 64 0.693 -15.780 5.879 403 HE21 GLN 64 1HE2 GLN 64 3.105 -13.927 4.187 404 HE22 GLN 64 2HE2 GLN 64 3.767 -15.240 3.281 405 H LEU 65 H LEU 65 -2.053 -11.771 5.027 406 HA LEU 65 HA LEU 65 -3.295 -11.777 2.398 407 HB3 LEU 65 2HB LEU 65 -5.315 -11.221 3.495 408 HG LEU 65 HG LEU 65 -3.745 -13.130 5.205 409 HD11 LEU 65 1HD1 LEU 65 -6.640 -13.140 5.561 410 HD12 LEU 65 2HD1 LEU 65 -5.856 -11.688 6.182 411 HD13 LEU 65 3HD1 LEU 65 -5.346 -13.277 6.753 412 HD21 LEU 65 3HD2 LEU 65 -5.610 -14.632 4.206 413 HD22 LEU 65 1HD2 LEU 65 -4.240 -14.164 3.197 414 HD23 LEU 65 2HD2 LEU 65 -5.785 -13.331 3.027 415 H VAL 66 H VAL 66 -1.745 -9.579 4.578 416 HA VAL 66 HA VAL 66 -2.446 -7.335 2.798 417 HB VAL 66 HB VAL 66 -1.711 -7.222 5.727 418 HG11 VAL 66 1HG1 VAL 66 -2.703 -4.775 5.104 419 HG12 VAL 66 2HG1 VAL 66 -0.984 -5.171 5.155 420 HG13 VAL 66 3HG1 VAL 66 -1.847 -5.184 3.617 421 HG21 VAL 66 3HG2 VAL 66 -4.317 -6.936 4.258 422 HG22 VAL 66 1HG2 VAL 66 -3.923 -8.004 5.604 423 HG23 VAL 66 2HG2 VAL 66 -4.072 -6.268 5.871 424 H ARG 67 H ARG 67 -0.830 -6.521 1.647 425 HA ARG 67 HA ARG 67 1.927 -7.071 2.520 426 HB3 ARG 67 2HB ARG 67 2.372 -6.499 0.003 427 HG3 ARG 67 2HG ARG 67 1.616 -8.885 -0.652 428 HD3 ARG 67 2HD ARG 67 3.389 -9.318 1.581 429 HE ARG 67 HE ARG 67 4.511 -9.177 -1.055 430 HH11 ARG 67 1HH1 ARG 67 2.537 -11.066 1.102 431 HH12 ARG 67 2HH1 ARG 67 2.859 -12.565 0.294 432 HH21 ARG 67 1HH2 ARG 67 4.943 -11.144 -2.127 433 HH22 ARG 67 2HH2 ARG 67 4.227 -12.608 -1.542 434 H HIS 68 H HIS 68 2.937 -5.379 3.358 435 HA HIS 68 HA HIS 68 2.321 -2.701 2.292 436 HB3 HIS 68 2HB HIS 68 1.471 -2.816 4.535 437 HD1 HIS 68 1HD HIS 68 1.504 -5.034 5.810 438 HD2 HIS 68 2HD HIS 68 5.130 -3.007 5.902 439 HE1 HIS 68 1HE HIS 68 2.885 -6.206 7.554 440 H PHE 69 H PHE 69 3.971 -1.680 1.376 441 HA PHE 69 HA PHE 69 6.706 -2.377 2.201 442 HB3 PHE 69 2HB PHE 69 7.384 -2.133 -0.208 443 HD1 PHE 69 2HD PHE 69 8.163 -4.203 1.159 444 HD2 PHE 69 1HD PHE 69 4.570 -4.049 -1.117 445 HE1 PHE 69 2HE PHE 69 8.121 -6.661 1.066 446 HE2 PHE 69 1HE PHE 69 4.522 -6.507 -1.213 447 HZ PHE 69 HZ PHE 69 6.299 -7.817 -0.122 448 H LEU 70 H LEU 70 8.297 -0.723 1.790 449 HA LEU 70 HA LEU 70 7.126 1.956 1.960 450 HB3 LEU 70 2HB LEU 70 8.546 1.555 3.775 451 HG LEU 70 HG LEU 70 10.156 -0.040 1.982 452 HD11 LEU 70 1HD1 LEU 70 11.662 1.834 1.921 453 HD12 LEU 70 2HD1 LEU 70 12.339 0.585 2.964 454 HD13 LEU 70 3HD1 LEU 70 11.578 2.009 3.673 455 HD21 LEU 70 3HD2 LEU 70 10.438 -1.302 3.842 456 HD22 LEU 70 1HD2 LEU 70 9.051 -0.364 4.394 457 HD23 LEU 70 2HD2 LEU 70 10.679 0.097 4.890 458 H ILE 71 H ILE 71 7.179 3.272 0.270 459 HA ILE 71 HA ILE 71 8.959 2.633 -1.969 460 HB ILE 71 HB ILE 71 6.700 4.628 -1.973 461 HG13 ILE 71 2HG1 ILE 71 5.836 2.409 -1.355 462 HG21 ILE 71 1HG2 ILE 71 8.014 3.140 -4.241 463 HG22 ILE 71 2HG2 ILE 71 6.807 4.418 -4.365 464 HG23 ILE 71 3HG2 ILE 71 8.420 4.786 -3.757 465 HD11 ILE 71 3HD1 ILE 71 4.381 3.702 -2.770 466 HD12 ILE 71 1HD1 ILE 71 5.224 3.131 -4.210 467 HD13 ILE 71 2HD1 ILE 71 4.296 2.000 -3.223 468 H GLU 72 H GLU 72 10.541 3.970 -2.650 469 HA GLU 72 HA GLU 72 10.884 6.497 -1.174 470 HB3 GLU 72 2HB GLU 72 13.333 5.692 -2.376 471 HG3 GLU 72 2HG GLU 72 12.638 5.414 0.529 472 H THR 73 H THR 73 11.047 8.343 -2.295 473 HA THR 73 HA THR 73 11.248 8.149 -5.230 474 HB THR 73 HB THR 73 9.028 8.881 -4.660 475 HG1 THR 73 1HG THR 73 9.049 10.864 -5.761 476 HG21 THR 73 3HG2 THR 73 8.620 10.009 -2.785 477 HG22 THR 73 1HG2 THR 73 9.466 11.408 -3.446 478 HG23 THR 73 2HG2 THR 73 10.351 10.203 -2.510 479 H GLY 74 H GLY 74 12.973 9.091 -6.100 480 HA2 GLY 74 2HA GLY 74 14.166 11.402 -4.715 481 HA3 GLY 74 3HA GLY 74 15.181 10.053 -5.206 482 HA PRO 75 HA PRO 75 15.178 13.210 -8.608 483 HB3 PRO 75 2HB PRO 75 17.054 14.237 -7.770 484 HG3 PRO 75 2HG PRO 75 18.515 13.101 -6.360 485 HD3 PRO 75 2HD PRO 75 16.514 12.642 -5.313 486 H LYS 76 H LYS 76 15.999 9.964 -8.176 487 HA LYS 76 HA LYS 76 16.575 9.594 -11.037 488 HB3 LYS 76 2HB LYS 76 18.305 8.629 -9.718 489 HG3 LYS 76 2HG LYS 76 16.128 7.313 -8.113 490 HD3 LYS 76 2HD LYS 76 18.216 5.896 -8.793 491 HE3 LYS 76 2HE LYS 76 19.315 7.667 -6.612 492 HZ1 LYS 76 3HZ LYS 76 20.700 6.038 -6.097 493 HZ2 LYS 76 1HZ LYS 76 21.172 5.854 -7.711 494 HZ3 LYS 76 2HZ LYS 76 19.847 4.989 -7.114 495 H GLY 77 H GLY 77 14.012 9.623 -9.043 496 HA2 GLY 77 2HA GLY 77 11.887 8.982 -10.124 497 HA3 GLY 77 3HA GLY 77 12.661 7.459 -10.535 498 H VAL 78 H VAL 78 10.396 7.059 -9.370 499 HA VAL 78 HA VAL 78 10.962 6.638 -6.508 500 HB VAL 78 HB VAL 78 9.051 8.114 -6.860 501 HG11 VAL 78 1HG1 VAL 78 8.468 7.168 -9.112 502 HG12 VAL 78 2HG1 VAL 78 7.694 5.825 -8.269 503 HG13 VAL 78 3HG1 VAL 78 7.094 7.469 -8.047 504 HG21 VAL 78 3HG2 VAL 78 9.096 6.469 -4.975 505 HG22 VAL 78 1HG2 VAL 78 7.479 6.989 -5.453 506 HG23 VAL 78 2HG2 VAL 78 8.081 5.408 -5.952 507 H LYS 79 H LYS 79 11.123 4.612 -5.806 508 HA LYS 79 HA LYS 79 9.937 2.458 -7.422 509 HB3 LYS 79 2HB LYS 79 12.446 2.686 -7.705 510 HG3 LYS 79 2HG LYS 79 12.656 1.387 -5.016 511 HD3 LYS 79 2HD LYS 79 14.670 2.862 -6.711 512 HE3 LYS 79 2HE LYS 79 15.913 1.028 -5.022 513 HZ1 LYS 79 3HZ LYS 79 16.774 3.201 -5.602 514 HZ2 LYS 79 1HZ LYS 79 16.758 3.013 -3.920 515 HZ3 LYS 79 2HZ LYS 79 15.578 3.959 -4.677 516 H ILE 80 H ILE 80 9.199 0.645 -6.291 517 HA ILE 80 HA ILE 80 8.601 1.172 -3.484 518 HB ILE 80 HB ILE 80 7.563 -1.039 -5.262 519 HG13 ILE 80 2HG1 ILE 80 6.675 1.769 -4.778 520 HG21 ILE 80 1HG2 ILE 80 6.677 -1.896 -3.419 521 HG22 ILE 80 2HG2 ILE 80 7.412 -0.617 -2.455 522 HG23 ILE 80 3HG2 ILE 80 5.804 -0.390 -3.140 523 HD11 ILE 80 3HD1 ILE 80 5.602 0.798 -7.142 524 HD12 ILE 80 1HD1 ILE 80 7.014 1.837 -6.963 525 HD13 ILE 80 2HD1 ILE 80 7.213 0.087 -7.053 526 H LYS 81 H LYS 81 9.809 0.328 -1.934 527 HA LYS 81 HA LYS 81 11.790 -1.665 -2.459 528 HB3 LYS 81 2HB LYS 81 10.958 -0.929 0.319 529 HG3 LYS 81 2HG LYS 81 13.489 -0.656 0.502 530 HD3 LYS 81 2HD LYS 81 12.947 -3.477 -0.195 531 HE3 LYS 81 2HE LYS 81 14.757 -2.211 1.373 532 HZ1 LYS 81 3HZ LYS 81 13.560 -3.401 3.583 533 HZ2 LYS 81 1HZ LYS 81 12.416 -2.341 2.927 534 HZ3 LYS 81 2HZ LYS 81 13.945 -1.768 3.367 535 H GLY 82 H GLY 82 10.758 -3.544 -3.120 536 HA2 GLY 82 2HA GLY 82 9.878 -5.270 -1.021 537 HA3 GLY 82 3HA GLY 82 8.537 -4.763 -2.037 538 H CYS 83 H CYS 83 10.042 -4.648 -4.485 539 HA CYS 83 HA CYS 83 10.783 -7.465 -4.870 540 HB3 CYS 83 2HB CYS 83 9.610 -6.937 -7.244 541 HG CYS 83 HG CYS 83 8.774 -8.695 -4.609 542 HA PRO 84 HA PRO 84 14.213 -6.026 -7.192 543 HB3 PRO 84 2HB PRO 84 14.808 -8.224 -7.499 544 HG3 PRO 84 2HG PRO 84 13.198 -9.861 -7.876 545 HD3 PRO 84 2HD PRO 84 12.300 -8.841 -6.015 546 H SER 85 H SER 85 11.115 -6.151 -8.609 547 HA SER 85 HA SER 85 11.530 -5.449 -11.248 548 HB3 SER 85 2HB SER 85 9.314 -4.186 -11.003 549 HG SER 85 HG SER 85 9.579 -6.875 -10.142 550 H GLU 86 H GLU 86 10.522 -3.009 -8.868 551 HA GLU 86 HA GLU 86 10.963 -0.776 -8.731 552 HB3 GLU 86 2HB GLU 86 13.282 -0.170 -8.591 553 HG3 GLU 86 2HG GLU 86 14.185 -1.736 -7.082 554 HA PRO 87 HA PRO 87 10.763 -0.295 -13.370 555 HB3 PRO 87 2HB PRO 87 8.552 -0.915 -13.452 556 HG3 PRO 87 2HG PRO 87 7.192 -0.764 -11.573 557 HD3 PRO 87 2HD PRO 87 8.988 -1.893 -10.672 558 H TYR 88 H TYR 88 11.163 1.553 -10.700 559 HA TYR 88 HA TYR 88 11.387 3.802 -10.259 560 HB3 TYR 88 2HB TYR 88 13.517 3.550 -11.141 561 HD1 TYR 88 1HD TYR 88 12.319 4.527 -14.462 562 HD2 TYR 88 2HD TYR 88 13.891 1.353 -12.105 563 HE1 TYR 88 1HE TYR 88 12.794 3.249 -16.510 564 HE2 TYR 88 2HE TYR 88 14.372 0.067 -14.145 565 HH TYR 88 HH TYR 88 13.965 -0.067 -16.375 566 H PHE 89 H PHE 89 9.116 4.304 -10.461 567 HA PHE 89 HA PHE 89 8.116 5.325 -12.961 568 HB3 PHE 89 2HB PHE 89 6.165 6.043 -11.407 569 HD1 PHE 89 1HD PHE 89 5.917 4.747 -13.737 570 HD2 PHE 89 2HD PHE 89 6.336 2.921 -9.915 571 HE1 PHE 89 1HE PHE 89 4.856 2.701 -14.601 572 HE2 PHE 89 2HE PHE 89 5.277 0.873 -10.773 573 HZ PHE 89 HZ PHE 89 4.536 0.761 -13.119 574 H GLY 90 H GLY 90 6.765 7.542 -12.546 575 HA2 GLY 90 2HA GLY 90 8.830 9.536 -12.286 576 HA3 GLY 90 3HA GLY 90 7.151 9.820 -12.719 577 H SER 91 H SER 91 5.635 9.189 -10.732 578 HA SER 91 HA SER 91 6.798 10.164 -8.233 579 HB3 SER 91 2HB SER 91 4.312 11.443 -8.356 580 HG SER 91 HG SER 91 6.332 13.080 -9.069 581 H LEU 92 H LEU 92 5.009 10.115 -6.466 582 HA LEU 92 HA LEU 92 4.232 7.498 -6.049 583 HB3 LEU 92 2HB LEU 92 2.502 8.627 -4.451 584 HG LEU 92 HG LEU 92 5.148 7.982 -4.042 585 HD11 LEU 92 1HD1 LEU 92 6.377 9.754 -3.514 586 HD12 LEU 92 2HD1 LEU 92 5.106 10.413 -2.485 587 HD13 LEU 92 3HD1 LEU 92 5.107 10.754 -4.215 588 HD21 LEU 92 3HD2 LEU 92 4.479 7.643 -1.891 589 HD22 LEU 92 1HD2 LEU 92 2.898 7.802 -2.656 590 HD23 LEU 92 2HD2 LEU 92 3.606 9.174 -1.802 591 H SER 93 H SER 93 2.449 10.131 -7.558 592 HA SER 93 HA SER 93 -0.034 8.762 -7.728 593 HB3 SER 93 2HB SER 93 0.541 11.316 -7.995 594 HG SER 93 HG SER 93 1.692 11.446 -9.809 595 H ALA 94 H ALA 94 2.789 8.967 -9.796 596 HA ALA 94 HA ALA 94 1.637 7.814 -12.108 597 HB1 ALA 94 1HB ALA 94 4.537 7.534 -11.415 598 HB2 ALA 94 2HB ALA 94 3.785 7.758 -12.994 599 HB3 ALA 94 3HB ALA 94 3.855 9.100 -11.854 600 H LEU 95 H LEU 95 3.489 6.425 -9.414 601 HA LEU 95 HA LEU 95 3.396 3.762 -10.425 602 HB3 LEU 95 2HB LEU 95 5.161 4.307 -8.950 603 HG LEU 95 HG LEU 95 3.708 6.059 -7.610 604 HD11 LEU 95 1HD1 LEU 95 3.762 4.021 -5.477 605 HD12 LEU 95 2HD1 LEU 95 2.486 3.857 -6.683 606 HD13 LEU 95 3HD1 LEU 95 2.636 5.350 -5.755 607 HD21 LEU 95 3HD2 LEU 95 5.478 5.183 -5.638 608 HD22 LEU 95 1HD2 LEU 95 5.785 6.385 -6.891 609 HD23 LEU 95 2HD2 LEU 95 6.209 4.695 -7.168 610 H VAL 96 H VAL 96 1.356 5.677 -8.329 611 HA VAL 96 HA VAL 96 -0.179 3.535 -7.272 612 HB VAL 96 HB VAL 96 -0.634 6.496 -7.476 613 HG11 VAL 96 1HG1 VAL 96 -2.839 5.831 -7.691 614 HG12 VAL 96 2HG1 VAL 96 -2.602 4.373 -6.723 615 HG13 VAL 96 3HG1 VAL 96 -2.656 5.954 -5.941 616 HG21 VAL 96 3HG2 VAL 96 0.245 6.540 -5.431 617 HG22 VAL 96 1HG2 VAL 96 -0.846 5.273 -4.870 618 HG23 VAL 96 2HG2 VAL 96 0.675 4.844 -5.653 619 H SER 97 H SER 97 -0.598 5.693 -10.047 620 HA SER 97 HA SER 97 -3.150 4.660 -10.784 621 HB3 SER 97 2HB SER 97 -2.571 6.873 -11.514 622 HG SER 97 HG SER 97 -0.704 6.349 -13.364 623 H GLN 98 H GLN 98 0.170 3.957 -11.734 624 HA GLN 98 HA GLN 98 -0.458 2.229 -13.884 625 HB3 GLN 98 2HB GLN 98 1.966 1.328 -13.031 626 HG3 GLN 98 2HG GLN 98 2.797 3.541 -14.308 627 HE21 GLN 98 1HE2 GLN 98 0.751 2.399 -16.612 628 HE22 GLN 98 2HE2 GLN 98 1.702 1.092 -17.222 629 H HIS 99 H HIS 99 -0.269 1.785 -10.436 630 HA HIS 99 HA HIS 99 -0.075 -1.045 -10.426 631 HB3 HIS 99 2HB HIS 99 -1.137 -0.678 -8.057 632 HD1 HIS 99 1HD HIS 99 1.893 -0.003 -10.029 633 HD2 HIS 99 2HD HIS 99 0.866 -0.339 -6.017 634 HE1 HIS 99 1HE HIS 99 4.069 -0.272 -8.798 635 H SER 100 H SER 100 -2.572 1.019 -11.324 636 HA SER 100 HA SER 100 -4.683 -0.888 -10.640 637 HB3 SER 100 2HB SER 100 -4.653 1.861 -10.631 638 HG SER 100 HG SER 100 -4.853 2.223 -12.761 639 H ILE 101 H ILE 101 -2.499 -0.676 -12.989 640 HA ILE 101 HA ILE 101 -4.333 -1.798 -14.994 641 HB ILE 101 HB ILE 101 -2.026 0.052 -15.613 642 HG13 ILE 101 2HG1 ILE 101 -3.752 1.618 -16.386 643 HG21 ILE 101 1HG2 ILE 101 -3.772 -1.682 -17.271 644 HG22 ILE 101 2HG2 ILE 101 -3.329 -0.102 -17.916 645 HG23 ILE 101 3HG2 ILE 101 -2.073 -1.258 -17.476 646 HD11 ILE 101 3HD1 ILE 101 -5.824 0.981 -16.794 647 HD12 ILE 101 1HD1 ILE 101 -5.500 -0.617 -16.122 648 HD13 ILE 101 2HD1 ILE 101 -6.052 0.687 -15.070 649 H SER 102 H SER 102 -1.059 -1.603 -13.713 650 HA SER 102 HA SER 102 -0.586 -4.333 -14.673 651 HB3 SER 102 2HB SER 102 1.918 -3.242 -14.881 652 HG SER 102 HG SER 102 1.192 -4.499 -16.507 653 HA PRO 103 HA PRO 103 0.401 -3.890 -10.184 654 HB3 PRO 103 2HB PRO 103 -1.635 -4.790 -9.617 655 HG3 PRO 103 2HG PRO 103 -2.804 -6.144 -11.102 656 HD3 PRO 103 2HD PRO 103 -2.334 -4.357 -12.480 657 H ILE 104 H ILE 104 2.521 -4.253 -9.929 658 HA ILE 104 HA ILE 104 3.808 -6.574 -11.071 659 HB ILE 104 HB ILE 104 4.943 -4.397 -9.310 660 HG13 ILE 104 2HG1 ILE 104 4.085 -3.610 -11.502 661 HG21 ILE 104 1HG2 ILE 104 6.931 -5.597 -10.904 662 HG22 ILE 104 2HG2 ILE 104 6.762 -5.658 -9.150 663 HG23 ILE 104 3HG2 ILE 104 6.023 -6.907 -10.150 664 HD11 ILE 104 3HD1 ILE 104 5.746 -2.157 -11.261 665 HD12 ILE 104 1HD1 ILE 104 6.861 -3.393 -10.681 666 HD13 ILE 104 2HD1 ILE 104 6.629 -3.156 -12.414 667 H SER 105 H SER 105 3.893 -5.225 -7.770 668 HA SER 105 HA SER 105 4.266 -7.931 -6.727 669 HB3 SER 105 2HB SER 105 5.651 -5.780 -6.084 670 HG SER 105 HG SER 105 4.545 -4.397 -4.974 671 H LEU 106 H LEU 106 1.675 -6.977 -7.732 672 HA LEU 106 HA LEU 106 0.116 -7.368 -5.267 673 HB3 LEU 106 2HB LEU 106 -1.352 -5.700 -5.751 674 HG LEU 106 HG LEU 106 1.016 -4.640 -7.293 675 HD11 LEU 106 1HD1 LEU 106 -0.770 -2.801 -5.872 676 HD12 LEU 106 2HD1 LEU 106 -1.490 -3.599 -7.270 677 HD13 LEU 106 3HD1 LEU 106 -0.012 -2.656 -7.458 678 HD21 LEU 106 3HD2 LEU 106 0.667 -3.523 -4.686 679 HD22 LEU 106 1HD2 LEU 106 2.053 -4.390 -5.349 680 HD23 LEU 106 2HD2 LEU 106 0.749 -5.281 -4.562 681 HA PRO 107 HA PRO 107 -1.910 -10.686 -7.303 682 HB3 PRO 107 2HB PRO 107 -3.023 -11.070 -5.329 683 HG3 PRO 107 2HG PRO 107 -3.736 -9.307 -3.992 684 HD3 PRO 107 2HD PRO 107 -1.541 -8.687 -4.330 685 H CYS 108 H CYS 108 -3.385 -7.506 -7.488 686 HA CYS 108 HA CYS 108 -3.960 -7.788 -10.252 687 HB3 CYS 108 2HB CYS 108 -6.517 -7.308 -8.870 688 HG CYS 108 HG CYS 108 -6.681 -9.769 -11.002 689 H CYS 109 H CYS 109 -5.281 -5.850 -11.048 690 HA CYS 109 HA CYS 109 -4.019 -3.499 -10.361 691 HB3 CYS 109 2HB CYS 109 -5.180 -3.603 -12.435 692 HG CYS 109 HG CYS 109 -8.221 -3.375 -12.326 693 H LEU 110 H LEU 110 -4.291 -1.937 -8.870 694 HA LEU 110 HA LEU 110 -5.641 -2.431 -6.489 695 HB3 LEU 110 2HB LEU 110 -3.820 -0.622 -7.290 696 HG LEU 110 HG LEU 110 -5.869 0.798 -8.180 697 HD11 LEU 110 1HD1 LEU 110 -7.190 1.741 -6.664 698 HD12 LEU 110 2HD1 LEU 110 -5.815 2.262 -5.692 699 HD13 LEU 110 3HD1 LEU 110 -6.488 0.646 -5.473 700 HD21 LEU 110 3HD2 LEU 110 -3.866 1.820 -8.509 701 HD22 LEU 110 1HD2 LEU 110 -3.332 1.559 -6.848 702 HD23 LEU 110 2HD2 LEU 110 -4.477 2.849 -7.213 703 H ARG 111 H ARG 111 -7.524 -1.555 -5.565 704 HA ARG 111 HA ARG 111 -9.611 -0.966 -7.525 705 HB3 ARG 111 2HB ARG 111 -11.152 -1.344 -5.579 706 HG3 ARG 111 2HG ARG 111 -10.871 -3.739 -5.406 707 HD3 ARG 111 2HD ARG 111 -9.938 -3.293 -8.178 708 HE ARG 111 HE ARG 111 -12.534 -4.408 -7.694 709 HH11 ARG 111 1HH1 ARG 111 -9.115 -5.066 -7.716 710 HH12 ARG 111 2HH1 ARG 111 -9.311 -6.768 -7.973 711 HH21 ARG 111 1HH2 ARG 111 -12.805 -6.648 -8.034 712 HH22 ARG 111 2HH2 ARG 111 -11.411 -7.667 -8.154 713 H ILE 112 H ILE 112 -10.468 0.995 -7.770 714 HA ILE 112 HA ILE 112 -10.776 3.243 -7.554 715 HB ILE 112 HB ILE 112 -10.905 2.528 -4.622 716 HG13 ILE 112 2HG1 ILE 112 -12.706 2.099 -6.871 717 HG21 ILE 112 1HG2 ILE 112 -10.800 4.785 -4.453 718 HG22 ILE 112 2HG2 ILE 112 -11.347 5.045 -6.109 719 HG23 ILE 112 3HG2 ILE 112 -12.514 4.652 -4.847 720 HD11 ILE 112 3HD1 ILE 112 -12.789 0.214 -5.693 721 HD12 ILE 112 1HD1 ILE 112 -12.223 1.001 -4.220 722 HD13 ILE 112 2HD1 ILE 112 -13.931 1.069 -4.656 723 HA PRO 113 HA PRO 113 -6.324 3.996 -6.542 724 HB3 PRO 113 2HB PRO 113 -5.712 3.562 -8.714 725 HG3 PRO 113 2HG PRO 113 -7.242 3.761 -10.454 726 HD3 PRO 113 2HD PRO 113 -8.464 2.458 -8.997 727 H SER 114 H SER 114 -5.181 6.094 -6.413 728 HA SER 114 HA SER 114 -6.788 8.061 -5.195 729 HB3 SER 114 2HB SER 114 -4.362 9.290 -5.924 730 HG SER 114 HG SER 114 -3.881 8.440 -3.650 731 H LYS 115 H LYS 115 -5.938 7.500 -8.466 732 HA LYS 115 HA LYS 115 -7.421 9.874 -9.269 733 HB3 LYS 115 2HB LYS 115 -5.449 10.033 -11.104 734 HG3 LYS 115 2HG LYS 115 -5.366 11.348 -8.395 735 HD3 LYS 115 2HD LYS 115 -3.838 11.773 -10.923 736 HE3 LYS 115 2HE LYS 115 -3.458 14.088 -9.463 737 HZ1 LYS 115 3HZ LYS 115 -3.529 14.660 -11.596 738 HZ2 LYS 115 1HZ LYS 115 -5.209 14.782 -11.431 739 HZ3 LYS 115 2HZ LYS 115 -4.519 13.353 -12.017 Start of MODEL 11 1 H1 MET 1 H MET 1 -18.786 5.363 1.584 2 HA MET 1 HA MET 1 -17.554 7.986 1.105 3 HB3 MET 1 2HB MET 1 -16.454 7.951 3.253 4 HG3 MET 1 2HG MET 1 -19.222 8.218 3.013 5 HE1 MET 1 3HE MET 1 -19.615 9.007 5.941 6 HE2 MET 1 1HE MET 1 -21.149 8.157 5.758 7 HE3 MET 1 2HE MET 1 -20.047 7.715 7.062 8 H ASP 2 H ASP 2 -15.557 7.911 0.242 9 HA ASP 2 HA ASP 2 -13.665 5.881 0.606 10 HB3 ASP 2 2HB ASP 2 -14.916 4.331 -0.616 11 H THR 3 H THR 3 -12.752 8.090 0.838 12 HA THR 3 HA THR 3 -11.854 9.135 -1.769 13 HB THR 3 HB THR 3 -11.613 10.970 0.509 14 HG1 THR 3 1HG THR 3 -13.726 11.237 0.892 15 HG21 THR 3 3HG2 THR 3 -11.611 11.128 -2.246 16 HG22 THR 3 1HG2 THR 3 -11.707 12.492 -1.133 17 HG23 THR 3 2HG2 THR 3 -13.183 11.796 -1.804 18 H SER 4 H SER 4 -9.698 9.999 -1.852 19 HA SER 4 HA SER 4 -7.760 8.345 -0.727 20 HB3 SER 4 2HB SER 4 -6.491 10.795 -1.323 21 HG SER 4 HG SER 4 -6.973 8.728 -3.186 22 H LYS 5 H LYS 5 -9.253 11.226 0.494 23 HA LYS 5 HA LYS 5 -7.304 11.936 2.416 24 HB3 LYS 5 2HB LYS 5 -9.634 12.818 3.519 25 HG3 LYS 5 2HG LYS 5 -8.714 14.301 1.117 26 HD3 LYS 5 2HD LYS 5 -8.665 15.494 3.801 27 HE3 LYS 5 2HE LYS 5 -10.009 17.223 2.607 28 HZ1 LYS 5 3HZ LYS 5 -8.161 17.626 0.849 29 HZ2 LYS 5 1HZ LYS 5 -7.382 16.345 1.631 30 HZ3 LYS 5 2HZ LYS 5 -7.794 17.738 2.496 31 H PHE 6 H PHE 6 -9.780 9.513 2.341 32 HA PHE 6 HA PHE 6 -9.642 9.036 5.204 33 HB3 PHE 6 2HB PHE 6 -11.029 6.988 3.693 34 HD1 PHE 6 2HD PHE 6 -10.936 6.469 6.223 35 HD2 PHE 6 1HD PHE 6 -13.175 9.669 4.530 36 HE1 PHE 6 2HE PHE 6 -12.346 6.543 8.237 37 HE2 PHE 6 1HE PHE 6 -14.588 9.749 6.542 38 HZ PHE 6 HZ PHE 6 -14.176 8.184 8.399 39 H TRP 7 H TRP 7 -8.323 7.781 2.251 40 HA TRP 7 HA TRP 7 -7.291 5.396 3.580 41 HB3 TRP 7 2HB TRP 7 -6.254 5.190 1.125 42 HD1 TRP 7 HD TRP 7 -7.229 2.936 2.700 43 HE1 TRP 7 1HE TRP 7 -9.259 1.472 2.103 44 HE3 TRP 7 3HE TRP 7 -9.666 6.164 -0.426 45 HZ2 TRP 7 2HZ TRP 7 -11.585 1.659 0.515 46 HZ3 TRP 7 3HZ TRP 7 -11.787 5.445 -1.444 47 HH2 TRP 7 HH TRP 7 -12.725 3.238 -0.982 48 H TYR 8 H TYR 8 -6.385 8.554 3.239 49 HA TYR 8 HA TYR 8 -3.515 7.891 3.296 50 HB3 TYR 8 2HB TYR 8 -4.700 10.601 2.694 51 HD1 TYR 8 2HD TYR 8 -2.702 11.245 4.239 52 HD2 TYR 8 1HD TYR 8 -2.263 9.380 0.440 53 HE1 TYR 8 2HE TYR 8 -0.380 12.050 4.118 54 HE2 TYR 8 1HE TYR 8 0.060 10.179 0.309 55 HH TYR 8 HH TYR 8 1.574 11.594 1.224 56 H LYS 9 H LYS 9 -2.809 7.796 5.321 57 HA LYS 9 HA LYS 9 -3.427 10.020 7.123 58 HB3 LYS 9 2HB LYS 9 -3.519 8.212 8.989 59 HG3 LYS 9 2HG LYS 9 -5.933 7.826 8.675 60 HD3 LYS 9 2HD LYS 9 -5.623 10.647 7.849 61 HE3 LYS 9 2HE LYS 9 -6.663 10.731 10.291 62 HZ1 LYS 9 3HZ LYS 9 -8.880 10.333 9.221 63 HZ2 LYS 9 1HZ LYS 9 -8.053 9.932 7.800 64 HZ3 LYS 9 2HZ LYS 9 -7.907 11.484 8.455 65 HA PRO 10 HA PRO 10 1.040 9.610 7.299 66 HB3 PRO 10 2HB PRO 10 1.132 11.869 6.892 67 HG3 PRO 10 2HG PRO 10 -0.598 13.277 7.548 68 HD3 PRO 10 2HD PRO 10 -1.806 11.649 6.453 69 H HIS 11 H HIS 11 -1.077 10.426 10.015 70 HA HIS 11 HA HIS 11 0.875 9.675 11.993 71 HB3 HIS 11 2HB HIS 11 -1.783 9.742 13.065 72 HD1 HIS 11 1HD HIS 11 0.526 12.698 12.532 73 HD2 HIS 11 2HD HIS 11 -0.646 10.065 15.525 74 HE1 HIS 11 1HE HIS 11 1.575 13.570 14.645 75 H LEU 12 H LEU 12 -1.581 8.091 10.174 76 HA LEU 12 HA LEU 12 -2.358 6.001 11.788 77 HB3 LEU 12 2HB LEU 12 -1.839 6.128 8.833 78 HG LEU 12 HG LEU 12 -2.698 3.758 10.391 79 HD11 LEU 12 1HD1 LEU 12 -3.947 3.111 8.172 80 HD12 LEU 12 2HD1 LEU 12 -4.183 4.854 8.057 81 HD13 LEU 12 3HD1 LEU 12 -4.778 3.976 9.465 82 HD21 LEU 12 3HD2 LEU 12 -1.713 3.782 7.576 83 HD22 LEU 12 1HD2 LEU 12 -1.436 2.602 8.857 84 HD23 LEU 12 2HD2 LEU 12 -0.592 4.151 8.888 85 H SER 13 H SER 13 -1.493 4.113 12.476 86 HA SER 13 HA SER 13 1.377 3.761 12.072 87 HB3 SER 13 2HB SER 13 1.407 3.007 14.187 88 HG SER 13 HG SER 13 -0.821 3.143 15.253 89 H ARG 14 H ARG 14 2.244 1.589 11.712 90 HA ARG 14 HA ARG 14 1.245 0.388 9.421 91 HB3 ARG 14 2HB ARG 14 2.763 -1.520 10.000 92 HG3 ARG 14 2HG ARG 14 3.666 1.297 9.961 93 HD3 ARG 14 2HD ARG 14 5.251 -0.965 11.040 94 HE ARG 14 HE ARG 14 6.255 0.659 8.887 95 HH11 ARG 14 1HH1 ARG 14 7.066 -1.130 11.760 96 HH12 ARG 14 2HH1 ARG 14 8.717 -1.377 11.298 97 HH21 ARG 14 1HH2 ARG 14 8.427 0.341 8.266 98 HH22 ARG 14 2HH2 ARG 14 9.490 -0.539 9.311 99 H ASP 15 H ASP 15 0.931 -0.683 12.798 100 HA ASP 15 HA ASP 15 -0.505 -3.021 12.349 101 HB3 ASP 15 2HB ASP 15 -1.320 -1.477 14.725 102 H GLN 16 H GLN 16 -1.657 0.302 12.732 103 HA GLN 16 HA GLN 16 -4.408 -0.273 12.726 104 HB3 GLN 16 2HB GLN 16 -4.257 2.219 11.592 105 HG3 GLN 16 2HG GLN 16 -3.666 2.214 14.466 106 HE21 GLN 16 1HE2 GLN 16 -6.922 2.283 13.788 107 HE22 GLN 16 2HE2 GLN 16 -7.126 3.991 13.619 108 H ALA 17 H ALA 17 -2.146 0.428 10.102 109 HA ALA 17 HA ALA 17 -4.042 0.539 8.021 110 HB1 ALA 17 1HB ALA 17 -1.917 -0.191 6.649 111 HB2 ALA 17 2HB ALA 17 -2.037 1.417 7.363 112 HB3 ALA 17 3HB ALA 17 -1.095 0.162 8.169 113 H ILE 18 H ILE 18 -2.184 -2.137 9.395 114 HA ILE 18 HA ILE 18 -2.951 -4.087 7.503 115 HB ILE 18 HB ILE 18 -2.138 -4.472 10.386 116 HG13 ILE 18 2HG1 ILE 18 -0.547 -3.270 8.749 117 HG21 ILE 18 1HG2 ILE 18 -3.121 -6.321 8.468 118 HG22 ILE 18 2HG2 ILE 18 -1.410 -6.654 8.730 119 HG23 ILE 18 3HG2 ILE 18 -2.524 -6.637 10.098 120 HD11 ILE 18 3HD1 ILE 18 1.430 -4.491 9.488 121 HD12 ILE 18 1HD1 ILE 18 0.299 -4.219 10.814 122 HD13 ILE 18 2HD1 ILE 18 0.404 -5.808 10.057 123 H ALA 19 H ALA 19 -4.332 -3.105 10.610 124 HA ALA 19 HA ALA 19 -6.329 -5.108 10.710 125 HB1 ALA 19 1HB ALA 19 -6.890 -2.515 12.006 126 HB2 ALA 19 2HB ALA 19 -6.960 -4.152 12.659 127 HB3 ALA 19 3HB ALA 19 -5.407 -3.334 12.497 128 H LEU 20 H LEU 20 -6.219 -1.876 9.323 129 HA LEU 20 HA LEU 20 -9.006 -1.735 8.729 130 HB3 LEU 20 2HB LEU 20 -7.307 -0.142 6.999 131 HG LEU 20 HG LEU 20 -9.670 0.445 7.707 132 HD11 LEU 20 1HD1 LEU 20 -8.202 1.098 10.250 133 HD12 LEU 20 2HD1 LEU 20 -9.599 0.043 10.043 134 HD13 LEU 20 3HD1 LEU 20 -9.771 1.785 9.829 135 HD21 LEU 20 3HD2 LEU 20 -7.417 2.052 7.152 136 HD22 LEU 20 1HD2 LEU 20 -8.352 2.879 8.398 137 HD23 LEU 20 2HD2 LEU 20 -9.120 2.426 6.876 138 H LEU 21 H LEU 21 -6.186 -2.958 7.076 139 HA LEU 21 HA LEU 21 -7.448 -3.196 4.515 140 HB3 LEU 21 2HB LEU 21 -5.422 -4.825 4.199 141 HG LEU 21 HG LEU 21 -4.894 -1.893 4.682 142 HD11 LEU 21 1HD1 LEU 21 -3.130 -2.658 2.799 143 HD12 LEU 21 2HD1 LEU 21 -3.213 -4.130 3.765 144 HD13 LEU 21 3HD1 LEU 21 -2.763 -2.603 4.523 145 HD21 LEU 21 3HD2 LEU 21 -4.989 -2.743 1.935 146 HD22 LEU 21 1HD2 LEU 21 -5.903 -1.473 2.749 147 HD23 LEU 21 2HD2 LEU 21 -6.500 -3.133 2.758 148 H LYS 22 H LYS 22 -6.789 -5.380 7.215 149 HA LYS 22 HA LYS 22 -7.814 -7.703 5.917 150 HB3 LYS 22 2HB LYS 22 -6.193 -7.655 7.867 151 HG3 LYS 22 2HG LYS 22 -8.727 -7.244 9.443 152 HD3 LYS 22 2HD LYS 22 -7.248 -8.960 10.420 153 HE3 LYS 22 2HE LYS 22 -5.225 -6.739 10.253 154 HZ1 LYS 22 3HZ LYS 22 -5.047 -7.566 12.456 155 HZ2 LYS 22 1HZ LYS 22 -3.797 -8.277 11.563 156 HZ3 LYS 22 2HZ LYS 22 -5.180 -9.173 11.947 157 H ASP 23 H ASP 23 -9.285 -4.993 7.286 158 HA ASP 23 HA ASP 23 -11.808 -6.450 7.708 159 HB3 ASP 23 2HB ASP 23 -11.264 -3.639 8.641 160 H LYS 24 H LYS 24 -10.314 -4.947 5.317 161 HA LYS 24 HA LYS 24 -12.763 -3.634 4.334 162 HB3 LYS 24 2HB LYS 24 -10.995 -2.433 2.798 163 HG3 LYS 24 2HG LYS 24 -10.608 -0.681 4.555 164 HD3 LYS 24 2HD LYS 24 -13.412 -1.709 4.128 165 HE3 LYS 24 2HE LYS 24 -12.359 0.799 5.367 166 HZ1 LYS 24 3HZ LYS 24 -14.983 0.573 3.994 167 HZ2 LYS 24 1HZ LYS 24 -13.679 1.506 3.452 168 HZ3 LYS 24 2HZ LYS 24 -14.445 1.890 4.909 169 H ASP 25 H ASP 25 -13.043 -3.694 1.976 170 HA ASP 25 HA ASP 25 -12.976 -6.269 0.949 171 HB3 ASP 25 2HB ASP 25 -13.103 -4.841 -1.329 172 HA PRO 26 HA PRO 26 -8.935 -6.964 -0.610 173 HB3 PRO 26 2HB PRO 26 -9.650 -9.063 -1.213 174 HG3 PRO 26 2HG PRO 26 -11.794 -9.406 -2.044 175 HD3 PRO 26 2HD PRO 26 -12.293 -8.184 -0.155 176 H GLY 27 H GLY 27 -7.434 -6.071 -1.963 177 HA2 GLY 27 2HA GLY 27 -6.685 -5.083 -3.985 178 HA3 GLY 27 3HA GLY 27 -8.354 -4.703 -4.386 179 H ALA 28 H ALA 28 -8.578 -3.728 -1.468 180 HA ALA 28 HA ALA 28 -8.151 -0.979 -2.055 181 HB1 ALA 28 1HB ALA 28 -8.614 -2.068 0.702 182 HB2 ALA 28 2HB ALA 28 -9.122 -0.521 0.022 183 HB3 ALA 28 3HB ALA 28 -9.903 -2.013 -0.502 184 H PHE 29 H PHE 29 -6.703 0.483 -1.096 185 HA PHE 29 HA PHE 29 -4.462 -0.632 0.413 186 HB3 PHE 29 2HB PHE 29 -3.911 -0.625 -2.058 187 HD1 PHE 29 1HD PHE 29 -5.370 0.529 -3.605 188 HD2 PHE 29 2HD PHE 29 -2.651 2.674 -1.130 189 HE1 PHE 29 1HE PHE 29 -5.686 2.531 -4.999 190 HE2 PHE 29 2HE PHE 29 -2.964 4.680 -2.519 191 HZ PHE 29 HZ PHE 29 -4.483 4.611 -4.457 192 H LEU 30 H LEU 30 -2.973 1.181 1.167 193 HA LEU 30 HA LEU 30 -4.250 3.772 1.440 194 HB3 LEU 30 2HB LEU 30 -5.132 2.263 3.267 195 HG LEU 30 HG LEU 30 -2.622 1.437 3.767 196 HD11 LEU 30 1HD1 LEU 30 -2.932 3.190 6.109 197 HD12 LEU 30 2HD1 LEU 30 -2.408 3.985 4.626 198 HD13 LEU 30 3HD1 LEU 30 -1.475 2.640 5.282 199 HD21 LEU 30 3HD2 LEU 30 -5.167 1.237 4.970 200 HD22 LEU 30 1HD2 LEU 30 -3.997 1.484 6.266 201 HD23 LEU 30 2HD2 LEU 30 -3.790 0.144 5.137 202 H ILE 31 H ILE 31 -2.835 5.356 2.515 203 HA ILE 31 HA ILE 31 0.008 4.607 2.320 204 HB ILE 31 HB ILE 31 -1.224 7.240 1.501 205 HG13 ILE 31 2HG1 ILE 31 -1.523 5.205 -0.024 206 HG21 ILE 31 1HG2 ILE 31 1.051 7.802 0.734 207 HG22 ILE 31 2HG2 ILE 31 0.962 7.573 2.480 208 HG23 ILE 31 3HG2 ILE 31 1.643 6.307 1.458 209 HD11 ILE 31 3HD1 ILE 31 0.090 6.974 -1.672 210 HD12 ILE 31 1HD1 ILE 31 -1.620 6.557 -1.785 211 HD13 ILE 31 2HD1 ILE 31 -1.093 7.827 -0.680 212 H ARG 32 H ARG 32 1.373 5.365 3.881 213 HA ARG 32 HA ARG 32 0.345 7.250 5.865 214 HB3 ARG 32 2HB ARG 32 -0.225 5.116 6.824 215 HG3 ARG 32 2HG ARG 32 1.741 3.957 5.463 216 HD3 ARG 32 2HD ARG 32 3.537 4.965 6.763 217 HE ARG 32 HE ARG 32 2.005 4.603 8.997 218 HH11 ARG 32 1HH1 ARG 32 5.220 3.685 8.027 219 HH12 ARG 32 2HH1 ARG 32 5.856 3.717 9.639 220 HH21 ARG 32 1HH2 ARG 32 2.830 4.646 11.124 221 HH22 ARG 32 2HH2 ARG 32 4.495 4.262 11.399 222 H ASP 33 H ASP 33 2.081 7.969 7.379 223 HA ASP 33 HA ASP 33 4.365 8.783 5.921 224 HB3 ASP 33 2HB ASP 33 4.325 8.874 8.909 225 H SER 34 H SER 34 6.132 7.659 5.485 226 HA SER 34 HA SER 34 6.687 5.192 6.892 227 HB3 SER 34 2HB SER 34 8.398 6.430 4.738 228 HG SER 34 HG SER 34 8.150 3.860 4.442 229 H HIS 35 H HIS 35 7.506 5.538 8.887 230 HA HIS 35 HA HIS 35 9.352 7.622 9.498 231 HB3 HIS 35 2HB HIS 35 7.774 6.584 11.145 232 HD1 HIS 35 1HD HIS 35 6.692 4.341 11.231 233 HD2 HIS 35 2HD HIS 35 10.830 4.103 11.515 234 HE1 HIS 35 1HE HIS 35 7.194 1.926 11.724 235 H SER 36 H SER 36 9.702 4.637 7.986 236 HA SER 36 HA SER 36 12.100 3.622 8.906 237 HB3 SER 36 2HB SER 36 10.883 3.669 6.148 238 HG SER 36 HG SER 36 12.904 3.269 5.568 239 H PHE 37 H PHE 37 11.866 5.586 5.941 240 HA PHE 37 HA PHE 37 14.285 7.025 6.755 241 HB3 PHE 37 2HB PHE 37 14.474 6.629 3.958 242 HD1 PHE 37 1HD PHE 37 15.685 4.157 6.411 243 HD2 PHE 37 2HD PHE 37 16.577 7.676 4.190 244 HE1 PHE 37 1HE PHE 37 18.051 3.959 7.055 245 HE2 PHE 37 2HE PHE 37 18.945 7.483 4.830 246 HZ PHE 37 HZ PHE 37 19.685 5.623 6.263 247 H GLN 38 H GLN 38 14.516 9.095 5.860 248 HA GLN 38 HA GLN 38 12.145 10.518 5.424 249 HB3 GLN 38 2HB GLN 38 13.863 12.274 4.476 250 HG3 GLN 38 2HG GLN 38 13.922 11.302 7.321 251 HE21 GLN 38 1HE2 GLN 38 15.848 11.841 8.117 252 HE22 GLN 38 2HE2 GLN 38 16.583 13.399 7.982 253 H GLY 39 H GLY 39 11.194 11.389 3.593 254 HA2 GLY 39 2HA GLY 39 10.699 11.639 1.351 255 HA3 GLY 39 3HA GLY 39 12.305 11.029 0.976 256 H ALA 40 H ALA 40 10.208 9.163 3.006 257 HA ALA 40 HA ALA 40 9.586 7.386 0.740 258 HB1 ALA 40 1HB ALA 40 10.042 5.445 2.101 259 HB2 ALA 40 2HB ALA 40 11.466 6.485 2.062 260 HB3 ALA 40 3HB ALA 40 10.427 6.467 3.487 261 H TYR 41 H TYR 41 7.682 6.116 0.962 262 HA TYR 41 HA TYR 41 5.856 6.962 3.106 263 HB3 TYR 41 2HB TYR 41 4.012 7.052 1.451 264 HD1 TYR 41 2HD TYR 41 3.953 9.197 2.623 265 HD2 TYR 41 1HD TYR 41 6.670 8.514 -0.579 266 HE1 TYR 41 2HE TYR 41 4.348 11.619 2.449 267 HE2 TYR 41 1HE TYR 41 7.074 10.933 -0.761 268 HH TYR 41 HH TYR 41 6.441 13.078 1.507 269 H GLY 42 H GLY 42 4.631 5.376 3.982 270 HA2 GLY 42 2HA GLY 42 5.209 2.653 3.147 271 HA3 GLY 42 3HA GLY 42 4.352 3.139 4.602 272 H LEU 43 H LEU 43 4.017 1.687 1.651 273 HA LEU 43 HA LEU 43 1.176 2.415 1.425 274 HB3 LEU 43 2HB LEU 43 3.050 1.146 -0.566 275 HG LEU 43 HG LEU 43 0.637 0.413 -0.856 276 HD11 LEU 43 1HD1 LEU 43 0.332 3.332 -0.897 277 HD12 LEU 43 2HD1 LEU 43 -0.837 2.071 -0.510 278 HD13 LEU 43 3HD1 LEU 43 -0.500 2.473 -2.194 279 HD21 LEU 43 3HD2 LEU 43 0.675 0.850 -3.283 280 HD22 LEU 43 1HD2 LEU 43 2.233 0.297 -2.668 281 HD23 LEU 43 2HD2 LEU 43 1.986 2.005 -3.035 282 H ALA 44 H ALA 44 -0.346 0.966 1.904 283 HA ALA 44 HA ALA 44 0.480 -1.841 2.269 284 HB1 ALA 44 1HB ALA 44 -0.285 -0.302 4.283 285 HB2 ALA 44 2HB ALA 44 -1.885 -0.788 3.722 286 HB3 ALA 44 3HB ALA 44 -0.711 -2.012 4.204 287 H LEU 45 H LEU 45 -0.714 -3.414 1.325 288 HA LEU 45 HA LEU 45 -3.222 -2.643 -0.000 289 HB3 LEU 45 2HB LEU 45 -0.946 -4.213 -1.198 290 HG LEU 45 HG LEU 45 -2.911 -5.269 -2.063 291 HD11 LEU 45 1HD1 LEU 45 -4.019 -2.609 -1.836 292 HD12 LEU 45 2HD1 LEU 45 -4.837 -4.166 -1.959 293 HD13 LEU 45 3HD1 LEU 45 -4.337 -3.315 -3.421 294 HD21 LEU 45 3HD2 LEU 45 -1.010 -4.143 -3.608 295 HD22 LEU 45 1HD2 LEU 45 -2.457 -3.404 -4.296 296 HD23 LEU 45 2HD2 LEU 45 -2.310 -5.160 -4.231 297 H LYS 46 H LYS 46 -4.820 -4.169 -0.010 298 HA LYS 46 HA LYS 46 -4.331 -6.531 1.653 299 HB3 LYS 46 2HB LYS 46 -6.921 -5.234 0.782 300 HG3 LYS 46 2HG LYS 46 -7.155 -7.667 1.232 301 HD3 LYS 46 2HD LYS 46 -6.565 -7.004 4.101 302 HE3 LYS 46 2HE LYS 46 -6.334 -9.426 4.290 303 HZ1 LYS 46 3HZ LYS 46 -8.675 -8.111 3.949 304 HZ2 LYS 46 1HZ LYS 46 -8.521 -9.701 4.503 305 HZ3 LYS 46 2HZ LYS 46 -8.830 -9.401 2.868 306 H VAL 47 H VAL 47 -4.416 -8.549 0.872 307 HA VAL 47 HA VAL 47 -5.015 -8.878 -1.980 308 HB VAL 47 HB VAL 47 -3.784 -10.958 -1.878 309 HG11 VAL 47 1HG1 VAL 47 -2.244 -8.807 -0.432 310 HG12 VAL 47 2HG1 VAL 47 -1.573 -10.108 -1.419 311 HG13 VAL 47 3HG1 VAL 47 -2.541 -8.838 -2.170 312 HG21 VAL 47 3HG2 VAL 47 -2.620 -10.870 0.706 313 HG22 VAL 47 1HG2 VAL 47 -4.372 -10.798 0.897 314 HG23 VAL 47 2HG2 VAL 47 -3.636 -12.129 0.003 315 H ALA 48 H ALA 48 -6.109 -10.885 -2.649 316 HA ALA 48 HA ALA 48 -8.381 -11.413 -0.889 317 HB1 ALA 48 1HB ALA 48 -8.697 -12.763 -3.346 318 HB2 ALA 48 2HB ALA 48 -9.532 -11.316 -2.782 319 HB3 ALA 48 3HB ALA 48 -8.040 -11.167 -3.710 320 H THR 49 H THR 49 -6.053 -13.245 -2.867 321 HA THR 49 HA THR 49 -6.722 -15.673 -1.380 322 HB THR 49 HB THR 49 -4.796 -16.421 -3.189 323 HG1 THR 49 1HG THR 49 -5.740 -15.344 -5.164 324 HG21 THR 49 3HG2 THR 49 -7.021 -16.860 -4.630 325 HG22 THR 49 1HG2 THR 49 -7.751 -16.494 -3.069 326 HG23 THR 49 2HG2 THR 49 -6.589 -17.813 -3.211 327 HA PRO 50 HA PRO 50 -3.090 -15.724 1.083 328 HB3 PRO 50 2HB PRO 50 -3.824 -17.722 1.949 329 HG3 PRO 50 2HG PRO 50 -4.871 -19.301 0.600 330 HD3 PRO 50 2HD PRO 50 -6.085 -17.425 0.032 331 HA PRO 51 HA PRO 51 0.617 -15.618 -1.278 332 HB3 PRO 51 2HB PRO 51 1.712 -14.951 0.629 333 HG3 PRO 51 2HG PRO 51 1.174 -15.861 2.700 334 HD3 PRO 51 2HD PRO 51 -0.933 -15.295 1.957 335 HA PRO 52 HA PRO 52 1.639 -19.473 -3.128 336 HB3 PRO 52 2HB PRO 52 3.010 -18.322 -4.568 337 HG3 PRO 52 2HG PRO 52 4.290 -16.528 -3.829 338 HD3 PRO 52 2HD PRO 52 2.234 -15.925 -2.980 339 H SER 53 H SER 53 3.351 -18.480 -0.290 340 HA SER 53 HA SER 53 4.715 -21.006 0.065 341 HB3 SER 53 2HB SER 53 4.445 -19.023 2.285 342 HG SER 53 HG SER 53 6.930 -19.802 1.618 343 H ALA 54 H ALA 54 1.785 -19.454 1.144 344 HA ALA 54 HA ALA 54 0.002 -20.190 2.352 345 HB1 ALA 54 1HB ALA 54 -0.690 -22.364 2.020 346 HB2 ALA 54 2HB ALA 54 0.417 -22.129 0.666 347 HB3 ALA 54 3HB ALA 54 0.950 -23.010 2.098 348 H GLN 55 H GLN 55 1.873 -19.226 3.957 349 HA GLN 55 HA GLN 55 1.975 -21.144 6.191 350 HB3 GLN 55 2HB GLN 55 4.079 -20.148 6.909 351 HG3 GLN 55 2HG GLN 55 4.683 -20.539 4.043 352 HE21 GLN 55 1HE2 GLN 55 6.781 -20.052 4.443 353 HE22 GLN 55 2HE2 GLN 55 7.802 -20.968 5.493 354 HA PRO 56 HA PRO 56 -0.460 -17.378 7.409 355 HB3 PRO 56 2HB PRO 56 -2.448 -18.381 6.841 356 HG3 PRO 56 2HG PRO 56 -2.633 -20.696 6.731 357 HD3 PRO 56 2HD PRO 56 -0.740 -20.389 5.453 358 H TRP 57 H TRP 57 -0.189 -16.411 9.334 359 HA TRP 57 HA TRP 57 -0.321 -17.640 11.841 360 HB3 TRP 57 2HB TRP 57 2.479 -16.956 11.758 361 HD1 TRP 57 HD TRP 57 0.592 -17.915 14.087 362 HE1 TRP 57 1HE TRP 57 1.081 -20.119 15.322 363 HE3 TRP 57 3HE TRP 57 3.467 -20.213 10.538 364 HZ2 TRP 57 2HZ TRP 57 2.498 -22.515 14.854 365 HZ3 TRP 57 3HZ TRP 57 4.351 -22.459 11.011 366 HH2 TRP 57 HH TRP 57 3.876 -23.586 13.125 367 H LYS 58 H LYS 58 1.284 -16.142 13.417 368 HA LYS 58 HA LYS 58 1.506 -14.093 14.378 369 HB3 LYS 58 2HB LYS 58 1.195 -12.786 11.697 370 HG3 LYS 58 2HG LYS 58 3.045 -12.297 14.023 371 HD3 LYS 58 2HD LYS 58 2.739 -10.586 11.570 372 HE3 LYS 58 2HE LYS 58 5.252 -10.654 13.073 373 HZ1 LYS 58 3HZ LYS 58 5.359 -8.568 12.335 374 HZ2 LYS 58 1HZ LYS 58 3.798 -8.185 12.864 375 HZ3 LYS 58 2HZ LYS 58 4.022 -8.947 11.370 376 H GLY 59 H GLY 59 -0.838 -14.881 14.933 377 HA2 GLY 59 2HA GLY 59 -2.933 -14.162 15.551 378 HA3 GLY 59 3HA GLY 59 -2.471 -12.562 14.991 379 H ASP 60 H ASP 60 -3.787 -15.672 13.998 380 HA ASP 60 HA ASP 60 -5.236 -16.250 12.343 381 HB3 ASP 60 2HB ASP 60 -6.925 -14.776 11.828 382 HA PRO 61 HA PRO 61 -3.016 -16.063 8.563 383 HB3 PRO 61 2HB PRO 61 -4.329 -17.803 7.836 384 HG3 PRO 61 2HG PRO 61 -6.584 -17.917 8.390 385 HD3 PRO 61 2HD PRO 61 -5.681 -17.547 10.478 386 H VAL 62 H VAL 62 -5.733 -13.956 9.051 387 HA VAL 62 HA VAL 62 -5.710 -12.457 6.705 388 HB VAL 62 HB VAL 62 -6.735 -10.654 7.981 389 HG11 VAL 62 1HG1 VAL 62 -7.794 -13.225 9.115 390 HG12 VAL 62 2HG1 VAL 62 -8.687 -11.781 8.635 391 HG13 VAL 62 3HG1 VAL 62 -7.961 -12.818 7.407 392 HG21 VAL 62 3HG2 VAL 62 -5.782 -10.321 10.000 393 HG22 VAL 62 1HG2 VAL 62 -7.045 -11.423 10.548 394 HG23 VAL 62 2HG2 VAL 62 -5.420 -12.032 10.231 395 H GLU 63 H GLU 63 -3.586 -12.356 9.484 396 HA GLU 63 HA GLU 63 -2.377 -9.864 9.026 397 HB3 GLU 63 2HB GLU 63 -0.920 -12.240 10.160 398 HG3 GLU 63 2HG GLU 63 0.061 -9.827 9.916 399 H GLN 64 H GLN 64 -2.047 -12.896 7.419 400 HA GLN 64 HA GLN 64 0.446 -12.115 6.123 401 HB3 GLN 64 2HB GLN 64 0.391 -14.350 5.118 402 HG3 GLN 64 2HG GLN 64 0.621 -15.723 7.054 403 HE21 GLN 64 1HE2 GLN 64 2.601 -14.722 6.032 404 HE22 GLN 64 2HE2 GLN 64 3.535 -13.666 7.030 405 H LEU 65 H LEU 65 -2.822 -11.665 5.657 406 HA LEU 65 HA LEU 65 -2.723 -11.740 2.748 407 HB3 LEU 65 2HB LEU 65 -5.099 -11.097 2.886 408 HG LEU 65 HG LEU 65 -4.515 -13.401 4.746 409 HD11 LEU 65 1HD1 LEU 65 -6.726 -14.140 4.312 410 HD12 LEU 65 2HD1 LEU 65 -6.974 -12.898 3.086 411 HD13 LEU 65 3HD1 LEU 65 -6.841 -12.445 4.785 412 HD21 LEU 65 3HD2 LEU 65 -4.547 -13.125 1.778 413 HD22 LEU 65 1HD2 LEU 65 -5.118 -14.626 2.508 414 HD23 LEU 65 2HD2 LEU 65 -3.473 -14.067 2.813 415 H VAL 66 H VAL 66 -1.388 -9.723 4.729 416 HA VAL 66 HA VAL 66 -2.238 -7.314 3.258 417 HB VAL 66 HB VAL 66 -1.225 -7.448 6.102 418 HG11 VAL 66 1HG1 VAL 66 -1.460 -5.263 4.175 419 HG12 VAL 66 2HG1 VAL 66 -2.251 -4.942 5.720 420 HG13 VAL 66 3HG1 VAL 66 -0.537 -5.361 5.675 421 HG21 VAL 66 3HG2 VAL 66 -3.810 -7.840 5.077 422 HG22 VAL 66 1HG2 VAL 66 -3.340 -7.611 6.761 423 HG23 VAL 66 2HG2 VAL 66 -3.798 -6.221 5.777 424 H ARG 67 H ARG 67 -0.717 -6.551 1.958 425 HA ARG 67 HA ARG 67 2.097 -7.170 2.562 426 HB3 ARG 67 2HB ARG 67 2.017 -6.252 -0.048 427 HG3 ARG 67 2HG ARG 67 3.191 -8.286 0.908 428 HD3 ARG 67 2HD ARG 67 0.759 -9.762 -0.040 429 HE ARG 67 HE ARG 67 2.476 -10.958 1.913 430 HH11 ARG 67 1HH1 ARG 67 2.061 -10.328 -1.486 431 HH12 ARG 67 2HH1 ARG 67 3.029 -11.674 -1.987 432 HH21 ARG 67 1HH2 ARG 67 3.753 -12.735 1.266 433 HH22 ARG 67 2HH2 ARG 67 3.990 -13.043 -0.421 434 H HIS 68 H HIS 68 3.214 -5.540 3.385 435 HA HIS 68 HA HIS 68 2.510 -2.796 2.574 436 HB3 HIS 68 2HB HIS 68 2.049 -2.984 4.894 437 HD1 HIS 68 1HD HIS 68 5.594 -3.212 5.871 438 HD2 HIS 68 2HD HIS 68 2.268 -5.701 5.787 439 HE1 HIS 68 1HE HIS 68 6.190 -5.180 7.319 440 H PHE 69 H PHE 69 3.997 -1.709 1.472 441 HA PHE 69 HA PHE 69 6.820 -2.478 1.763 442 HB3 PHE 69 2HB PHE 69 7.185 -2.367 -0.596 443 HD1 PHE 69 2HD PHE 69 7.143 -4.716 0.700 444 HD2 PHE 69 1HD PHE 69 4.014 -3.160 -1.730 445 HE1 PHE 69 2HE PHE 69 6.293 -6.997 0.340 446 HE2 PHE 69 1HE PHE 69 3.158 -5.438 -2.093 447 HZ PHE 69 HZ PHE 69 4.300 -7.360 -1.059 448 H LEU 70 H LEU 70 8.340 -0.816 1.424 449 HA LEU 70 HA LEU 70 7.228 1.865 1.820 450 HB3 LEU 70 2HB LEU 70 8.850 0.978 3.460 451 HG LEU 70 HG LEU 70 10.384 0.074 1.380 452 HD11 LEU 70 1HD1 LEU 70 11.346 2.029 0.639 453 HD12 LEU 70 2HD1 LEU 70 12.527 1.485 1.830 454 HD13 LEU 70 3HD1 LEU 70 11.374 2.753 2.248 455 HD21 LEU 70 3HD2 LEU 70 10.958 0.621 4.271 456 HD22 LEU 70 1HD2 LEU 70 12.166 -0.125 3.224 457 HD23 LEU 70 2HD2 LEU 70 10.610 -0.915 3.475 458 H ILE 71 H ILE 71 7.252 3.318 0.243 459 HA ILE 71 HA ILE 71 8.836 2.758 -2.160 460 HB ILE 71 HB ILE 71 6.677 4.841 -1.865 461 HG13 ILE 71 2HG1 ILE 71 6.493 1.917 -2.160 462 HG21 ILE 71 1HG2 ILE 71 8.269 5.068 -3.750 463 HG22 ILE 71 2HG2 ILE 71 7.776 3.473 -4.315 464 HG23 ILE 71 3HG2 ILE 71 6.607 4.793 -4.271 465 HD11 ILE 71 3HD1 ILE 71 5.130 3.968 -0.768 466 HD12 ILE 71 1HD1 ILE 71 3.974 3.168 -1.833 467 HD13 ILE 71 2HD1 ILE 71 4.899 2.223 -0.665 468 H GLU 72 H GLU 72 10.428 4.071 -2.863 469 HA GLU 72 HA GLU 72 10.977 6.490 -1.270 470 HB3 GLU 72 2HB GLU 72 13.385 5.921 -2.366 471 HG3 GLU 72 2HG GLU 72 13.270 4.269 -0.081 472 H THR 73 H THR 73 11.241 8.383 -2.306 473 HA THR 73 HA THR 73 11.223 8.328 -5.254 474 HB THR 73 HB THR 73 9.122 9.210 -4.511 475 HG1 THR 73 1HG THR 73 9.355 11.418 -5.317 476 HG21 THR 73 3HG2 THR 73 9.900 9.800 -2.208 477 HG22 THR 73 1HG2 THR 73 8.888 11.029 -2.964 478 HG23 THR 73 2HG2 THR 73 10.636 11.252 -2.884 479 H GLY 74 H GLY 74 12.990 9.123 -6.180 480 HA2 GLY 74 2HA GLY 74 14.470 11.255 -4.778 481 HA3 GLY 74 3HA GLY 74 15.317 9.865 -5.440 482 HA PRO 75 HA PRO 75 15.328 13.239 -8.624 483 HB3 PRO 75 2HB PRO 75 17.361 14.027 -7.896 484 HG3 PRO 75 2HG PRO 75 18.817 12.663 -6.702 485 HD3 PRO 75 2HD PRO 75 16.877 12.315 -5.507 486 H LYS 76 H LYS 76 15.872 9.908 -8.475 487 HA LYS 76 HA LYS 76 16.168 9.693 -11.393 488 HB3 LYS 76 2HB LYS 76 16.810 7.336 -10.954 489 HG3 LYS 76 2HG LYS 76 18.743 8.292 -9.152 490 HD3 LYS 76 2HD LYS 76 18.520 7.549 -11.983 491 HE3 LYS 76 2HE LYS 76 19.630 9.851 -11.977 492 HZ1 LYS 76 3HZ LYS 76 21.501 10.183 -10.848 493 HZ2 LYS 76 1HZ LYS 76 22.163 8.695 -11.307 494 HZ3 LYS 76 2HZ LYS 76 21.128 8.784 -9.973 495 H GLY 77 H GLY 77 13.796 9.801 -9.166 496 HA2 GLY 77 2HA GLY 77 11.532 9.458 -10.093 497 HA3 GLY 77 3HA GLY 77 12.109 7.910 -10.689 498 H VAL 78 H VAL 78 9.943 7.573 -9.374 499 HA VAL 78 HA VAL 78 10.664 6.947 -6.587 500 HB VAL 78 HB VAL 78 8.782 8.499 -6.770 501 HG11 VAL 78 1HG1 VAL 78 6.725 7.926 -7.844 502 HG12 VAL 78 2HG1 VAL 78 8.028 7.693 -9.013 503 HG13 VAL 78 3HG1 VAL 78 7.304 6.301 -8.206 504 HG21 VAL 78 3HG2 VAL 78 8.894 6.768 -4.961 505 HG22 VAL 78 1HG2 VAL 78 7.272 7.366 -5.311 506 HG23 VAL 78 2HG2 VAL 78 7.779 5.788 -5.915 507 H LYS 79 H LYS 79 10.802 4.883 -6.005 508 HA LYS 79 HA LYS 79 9.468 2.853 -7.668 509 HB3 LYS 79 2HB LYS 79 11.894 2.916 -8.149 510 HG3 LYS 79 2HG LYS 79 13.342 1.837 -6.311 511 HD3 LYS 79 2HD LYS 79 12.833 4.570 -5.414 512 HE3 LYS 79 2HE LYS 79 15.212 4.108 -6.992 513 HZ1 LYS 79 3HZ LYS 79 14.839 4.562 -4.081 514 HZ2 LYS 79 1HZ LYS 79 14.988 5.780 -5.246 515 HZ3 LYS 79 2HZ LYS 79 16.286 4.740 -4.940 516 H ILE 80 H ILE 80 8.641 1.066 -6.602 517 HA ILE 80 HA ILE 80 8.268 1.428 -3.729 518 HB ILE 80 HB ILE 80 6.935 -0.613 -5.507 519 HG13 ILE 80 2HG1 ILE 80 6.382 2.280 -5.068 520 HG21 ILE 80 1HG2 ILE 80 6.899 -0.089 -2.696 521 HG22 ILE 80 2HG2 ILE 80 5.298 0.208 -3.371 522 HG23 ILE 80 3HG2 ILE 80 6.075 -1.358 -3.602 523 HD11 ILE 80 3HD1 ILE 80 6.503 0.431 -7.307 524 HD12 ILE 80 1HD1 ILE 80 5.080 1.471 -7.335 525 HD13 ILE 80 2HD1 ILE 80 6.693 2.183 -7.267 526 H LYS 81 H LYS 81 9.421 0.324 -2.303 527 HA LYS 81 HA LYS 81 11.200 -1.772 -3.124 528 HB3 LYS 81 2HB LYS 81 10.617 -1.114 -0.256 529 HG3 LYS 81 2HG LYS 81 12.327 -2.842 -0.895 530 HD3 LYS 81 2HD LYS 81 13.564 -0.403 -2.123 531 HE3 LYS 81 2HE LYS 81 15.058 -2.870 -1.239 532 HZ1 LYS 81 3HZ LYS 81 15.624 -1.029 -3.223 533 HZ2 LYS 81 1HZ LYS 81 16.670 -2.190 -2.574 534 HZ3 LYS 81 2HZ LYS 81 16.636 -0.628 -1.929 535 H GLY 82 H GLY 82 9.034 -2.896 -3.894 536 HA2 GLY 82 2HA GLY 82 8.131 -4.667 -1.708 537 HA3 GLY 82 3HA GLY 82 7.147 -4.246 -3.102 538 H CYS 83 H CYS 83 9.130 -4.570 -5.099 539 HA CYS 83 HA CYS 83 9.918 -7.381 -4.870 540 HB3 CYS 83 2HB CYS 83 9.036 -7.200 -7.488 541 HG CYS 83 HG CYS 83 6.584 -8.641 -6.534 542 HA PRO 84 HA PRO 84 13.591 -6.158 -6.931 543 HB3 PRO 84 2HB PRO 84 14.343 -8.310 -6.646 544 HG3 PRO 84 2HG PRO 84 12.901 -10.122 -6.860 545 HD3 PRO 84 2HD PRO 84 11.673 -8.806 -5.421 546 H SER 85 H SER 85 13.085 -4.496 -8.319 547 HA SER 85 HA SER 85 13.301 -4.923 -11.071 548 HB3 SER 85 2HB SER 85 10.618 -3.852 -10.909 549 HG SER 85 HG SER 85 11.594 -4.787 -12.770 550 H GLU 86 H GLU 86 11.378 -2.754 -8.987 551 HA GLU 86 HA GLU 86 11.317 -0.478 -8.830 552 HB3 GLU 86 2HB GLU 86 13.390 0.565 -8.327 553 HG3 GLU 86 2HG GLU 86 13.781 -2.351 -7.688 554 HA PRO 87 HA PRO 87 11.466 0.125 -13.414 555 HB3 PRO 87 2HB PRO 87 9.303 -0.620 -13.627 556 HG3 PRO 87 2HG PRO 87 7.829 -0.553 -11.830 557 HD3 PRO 87 2HD PRO 87 9.632 -1.581 -10.827 558 H TYR 88 H TYR 88 11.037 2.073 -10.647 559 HA TYR 88 HA TYR 88 11.215 4.307 -10.230 560 HB3 TYR 88 2HB TYR 88 13.030 5.417 -11.296 561 HD1 TYR 88 1HD TYR 88 13.369 3.898 -9.058 562 HD2 TYR 88 2HD TYR 88 14.540 2.836 -13.008 563 HE1 TYR 88 1HE TYR 88 15.048 2.354 -8.138 564 HE2 TYR 88 2HE TYR 88 16.222 1.288 -12.099 565 HH TYR 88 HH TYR 88 16.726 0.080 -10.105 566 H PHE 89 H PHE 89 9.053 4.863 -10.620 567 HA PHE 89 HA PHE 89 8.314 5.769 -13.287 568 HB3 PHE 89 2HB PHE 89 6.065 6.144 -12.218 569 HD1 PHE 89 2HD PHE 89 6.660 4.520 -14.322 570 HD2 PHE 89 1HD PHE 89 6.217 3.334 -10.258 571 HE1 PHE 89 2HE PHE 89 6.118 2.233 -15.052 572 HE2 PHE 89 1HE PHE 89 5.675 1.045 -10.982 573 HZ PHE 89 HZ PHE 89 5.624 0.493 -13.381 574 H GLY 90 H GLY 90 6.680 7.834 -12.971 575 HA2 GLY 90 2HA GLY 90 8.446 10.021 -12.549 576 HA3 GLY 90 3HA GLY 90 6.724 10.132 -12.879 577 H SER 91 H SER 91 5.290 9.556 -10.978 578 HA SER 91 HA SER 91 6.505 10.281 -8.411 579 HB3 SER 91 2HB SER 91 3.966 11.550 -8.508 580 HG SER 91 HG SER 91 5.581 13.439 -8.562 581 H LEU 92 H LEU 92 4.435 10.304 -6.757 582 HA LEU 92 HA LEU 92 3.809 7.655 -6.300 583 HB3 LEU 92 2HB LEU 92 1.777 8.764 -5.024 584 HG LEU 92 HG LEU 92 4.606 9.382 -4.173 585 HD11 LEU 92 1HD1 LEU 92 2.622 10.613 -3.085 586 HD12 LEU 92 2HD1 LEU 92 3.796 9.813 -2.041 587 HD13 LEU 92 3HD1 LEU 92 2.241 9.048 -2.368 588 HD21 LEU 92 3HD2 LEU 92 4.036 7.322 -2.678 589 HD22 LEU 92 1HD2 LEU 92 4.599 7.083 -4.332 590 HD23 LEU 92 2HD2 LEU 92 2.880 6.954 -3.959 591 H SER 93 H SER 93 2.069 10.047 -8.196 592 HA SER 93 HA SER 93 -0.286 8.499 -8.567 593 HB3 SER 93 2HB SER 93 -0.111 10.204 -10.761 594 HG SER 93 HG SER 93 -1.915 10.137 -9.467 595 H ALA 94 H ALA 94 2.755 8.787 -10.295 596 HA ALA 94 HA ALA 94 1.980 7.394 -12.632 597 HB1 ALA 94 1HB ALA 94 4.747 7.626 -11.457 598 HB2 ALA 94 2HB ALA 94 4.334 7.248 -13.130 599 HB3 ALA 94 3HB ALA 94 3.978 8.845 -12.474 600 H LEU 95 H LEU 95 3.574 6.343 -9.638 601 HA LEU 95 HA LEU 95 3.799 3.618 -10.452 602 HB3 LEU 95 2HB LEU 95 5.329 4.433 -8.826 603 HG LEU 95 HG LEU 95 3.594 6.097 -7.766 604 HD11 LEU 95 1HD1 LEU 95 3.237 4.867 -5.375 605 HD12 LEU 95 2HD1 LEU 95 2.977 3.529 -6.492 606 HD13 LEU 95 3HD1 LEU 95 2.006 4.994 -6.632 607 HD21 LEU 95 3HD2 LEU 95 5.473 6.630 -6.716 608 HD22 LEU 95 1HD2 LEU 95 6.112 5.007 -6.973 609 HD23 LEU 95 2HD2 LEU 95 5.152 5.358 -5.536 610 H VAL 96 H VAL 96 1.376 5.509 -8.801 611 HA VAL 96 HA VAL 96 -0.113 3.332 -7.742 612 HB VAL 96 HB VAL 96 -0.669 6.235 -8.184 613 HG11 VAL 96 1HG1 VAL 96 -2.778 5.535 -8.794 614 HG12 VAL 96 2HG1 VAL 96 -2.704 4.087 -7.789 615 HG13 VAL 96 3HG1 VAL 96 -2.945 5.668 -7.044 616 HG21 VAL 96 3HG2 VAL 96 -1.408 5.257 -5.625 617 HG22 VAL 96 1HG2 VAL 96 0.163 4.571 -6.038 618 HG23 VAL 96 2HG2 VAL 96 -0.066 6.321 -6.048 619 H SER 97 H SER 97 -0.349 5.237 -10.717 620 HA SER 97 HA SER 97 -2.701 3.925 -11.658 621 HB3 SER 97 2HB SER 97 -1.259 4.996 -13.856 622 HG SER 97 HG SER 97 -2.900 6.718 -13.476 623 H GLN 98 H GLN 98 0.760 3.498 -12.194 624 HA GLN 98 HA GLN 98 0.539 1.566 -14.248 625 HB3 GLN 98 2HB GLN 98 2.919 0.965 -13.434 626 HG3 GLN 98 2HG GLN 98 3.714 3.410 -14.053 627 HE21 GLN 98 1HE2 GLN 98 1.828 3.197 -16.661 628 HE22 GLN 98 2HE2 GLN 98 2.713 2.050 -17.601 629 H HIS 99 H HIS 99 0.363 1.389 -10.780 630 HA HIS 99 HA HIS 99 0.796 -1.419 -10.557 631 HB3 HIS 99 2HB HIS 99 -0.531 -0.922 -8.306 632 HD1 HIS 99 1HD HIS 99 2.689 -0.332 -10.031 633 HD2 HIS 99 2HD HIS 99 1.282 -0.603 -6.132 634 HE1 HIS 99 1HE HIS 99 4.736 -0.587 -8.593 635 H SER 100 H SER 100 -1.707 0.325 -11.878 636 HA SER 100 HA SER 100 -3.812 -1.531 -11.091 637 HB3 SER 100 2HB SER 100 -4.221 0.620 -13.133 638 HG SER 100 HG SER 100 -6.182 0.084 -12.652 639 H ILE 101 H ILE 101 -1.404 -1.458 -13.348 640 HA ILE 101 HA ILE 101 -2.907 -3.259 -15.123 641 HB ILE 101 HB ILE 101 -0.867 -1.232 -16.046 642 HG13 ILE 101 2HG1 ILE 101 -3.090 -0.281 -15.383 643 HG21 ILE 101 1HG2 ILE 101 -0.655 -2.491 -17.859 644 HG22 ILE 101 2HG2 ILE 101 -1.809 -3.657 -17.211 645 HG23 ILE 101 3HG2 ILE 101 -2.379 -2.297 -18.178 646 HD11 ILE 101 3HD1 ILE 101 -2.796 1.252 -16.942 647 HD12 ILE 101 1HD1 ILE 101 -1.716 0.153 -17.799 648 HD13 ILE 101 2HD1 ILE 101 -3.441 0.165 -18.172 649 H SER 102 H SER 102 0.230 -2.257 -13.856 650 HA SER 102 HA SER 102 1.275 -4.936 -14.505 651 HB3 SER 102 2HB SER 102 3.396 -4.050 -14.897 652 HG SER 102 HG SER 102 2.854 -1.854 -15.956 653 HA PRO 103 HA PRO 103 1.003 -4.580 -9.886 654 HB3 PRO 103 2HB PRO 103 -1.019 -5.669 -9.853 655 HG3 PRO 103 2HG PRO 103 -1.663 -7.056 -11.604 656 HD3 PRO 103 2HD PRO 103 -1.037 -5.182 -12.791 657 H ILE 104 H ILE 104 3.374 -4.601 -10.165 658 HA ILE 104 HA ILE 104 4.732 -7.120 -10.407 659 HB ILE 104 HB ILE 104 5.789 -4.424 -9.548 660 HG13 ILE 104 2HG1 ILE 104 4.806 -4.734 -11.911 661 HG21 ILE 104 1HG2 ILE 104 7.673 -5.464 -9.012 662 HG22 ILE 104 2HG2 ILE 104 6.975 -7.018 -9.467 663 HG23 ILE 104 3HG2 ILE 104 7.808 -6.039 -10.674 664 HD11 ILE 104 3HD1 ILE 104 6.484 -3.435 -12.984 665 HD12 ILE 104 1HD1 ILE 104 6.383 -2.908 -11.305 666 HD13 ILE 104 2HD1 ILE 104 7.705 -3.953 -11.823 667 H SER 105 H SER 105 5.023 -4.728 -7.788 668 HA SER 105 HA SER 105 5.852 -6.627 -5.878 669 HB3 SER 105 2HB SER 105 5.344 -3.777 -5.963 670 HG SER 105 HG SER 105 4.470 -3.455 -4.030 671 H LEU 106 H LEU 106 2.739 -5.696 -7.007 672 HA LEU 106 HA LEU 106 1.437 -7.037 -4.738 673 HB3 LEU 106 2HB LEU 106 -0.341 -5.682 -4.998 674 HG LEU 106 HG LEU 106 1.609 -4.059 -6.631 675 HD11 LEU 106 1HD1 LEU 106 -0.355 -2.523 -5.225 676 HD12 LEU 106 2HD1 LEU 106 -1.152 -3.673 -6.299 677 HD13 LEU 106 3HD1 LEU 106 0.031 -2.536 -6.946 678 HD21 LEU 106 3HD2 LEU 106 2.461 -3.270 -4.702 679 HD22 LEU 106 1HD2 LEU 106 1.856 -4.791 -4.044 680 HD23 LEU 106 2HD2 LEU 106 0.904 -3.316 -3.872 681 HA PRO 107 HA PRO 107 0.233 -10.514 -7.129 682 HB3 PRO 107 2HB PRO 107 -0.811 -11.318 -5.248 683 HG3 PRO 107 2HG PRO 107 -1.942 -9.892 -3.800 684 HD3 PRO 107 2HD PRO 107 0.059 -8.764 -3.985 685 H CYS 108 H CYS 108 -2.399 -8.117 -6.891 686 HA CYS 108 HA CYS 108 -2.821 -8.409 -9.783 687 HB3 CYS 108 2HB CYS 108 -5.349 -7.870 -8.865 688 HG CYS 108 HG CYS 108 -5.158 -9.625 -10.934 689 H CYS 109 H CYS 109 -4.056 -6.577 -10.718 690 HA CYS 109 HA CYS 109 -2.878 -4.142 -10.203 691 HB3 CYS 109 2HB CYS 109 -3.986 -4.430 -12.281 692 HG CYS 109 HG CYS 109 -6.646 -4.840 -12.859 693 H LEU 110 H LEU 110 -3.077 -2.652 -8.667 694 HA LEU 110 HA LEU 110 -4.598 -2.966 -6.377 695 HB3 LEU 110 2HB LEU 110 -2.607 -1.386 -6.925 696 HG LEU 110 HG LEU 110 -3.036 0.902 -7.254 697 HD11 LEU 110 1HD1 LEU 110 -3.438 0.852 -9.465 698 HD12 LEU 110 2HD1 LEU 110 -4.976 0.011 -9.274 699 HD13 LEU 110 3HD1 LEU 110 -3.464 -0.896 -9.227 700 HD21 LEU 110 3HD2 LEU 110 -4.971 1.966 -6.840 701 HD22 LEU 110 1HD2 LEU 110 -5.398 0.482 -5.987 702 HD23 LEU 110 2HD2 LEU 110 -5.941 0.731 -7.647 703 H ARG 111 H ARG 111 -6.379 -1.674 -5.550 704 HA ARG 111 HA ARG 111 -8.384 -1.200 -7.636 705 HB3 ARG 111 2HB ARG 111 -9.395 -1.038 -4.933 706 HG3 ARG 111 2HG ARG 111 -10.758 -1.590 -6.909 707 HD3 ARG 111 2HD ARG 111 -9.555 -4.336 -6.779 708 HE ARG 111 HE ARG 111 -11.301 -4.643 -8.208 709 HH11 ARG 111 1HH1 ARG 111 -9.946 -1.488 -8.784 710 HH12 ARG 111 2HH1 ARG 111 -10.972 -1.152 -10.139 711 HH21 ARG 111 1HH2 ARG 111 -12.658 -4.211 -9.990 712 HH22 ARG 111 2HH2 ARG 111 -12.516 -2.700 -10.823 713 H ILE 112 H ILE 112 -9.126 0.776 -8.081 714 HA ILE 112 HA ILE 112 -8.313 2.981 -6.304 715 HB ILE 112 HB ILE 112 -8.994 3.215 -9.233 716 HG13 ILE 112 2HG1 ILE 112 -7.011 1.791 -8.948 717 HG21 ILE 112 1HG2 ILE 112 -9.247 5.251 -7.881 718 HG22 ILE 112 2HG2 ILE 112 -7.568 5.102 -7.364 719 HG23 ILE 112 3HG2 ILE 112 -7.946 5.395 -9.062 720 HD11 ILE 112 3HD1 ILE 112 -5.619 2.824 -10.432 721 HD12 ILE 112 1HD1 ILE 112 -7.105 3.737 -10.690 722 HD13 ILE 112 2HD1 ILE 112 -5.819 4.410 -9.688 723 HA PRO 113 HA PRO 113 -12.941 2.756 -6.096 724 HB3 PRO 113 2HB PRO 113 -12.857 1.578 -4.124 725 HG3 PRO 113 2HG PRO 113 -10.980 1.667 -2.754 726 HD3 PRO 113 2HD PRO 113 -9.973 1.201 -4.774 727 H SER 114 H SER 114 -13.043 4.731 -7.247 728 HA SER 114 HA SER 114 -13.265 7.078 -5.504 729 HB3 SER 114 2HB SER 114 -11.868 7.094 -8.190 730 HG SER 114 HG SER 114 -11.320 9.276 -7.307 731 H LYS 115 H LYS 115 -15.188 5.234 -6.753 732 HA LYS 115 HA LYS 115 -16.418 6.378 -9.003 733 HB3 LYS 115 2HB LYS 115 -18.512 5.204 -7.782 734 HG3 LYS 115 2HG LYS 115 -16.304 4.124 -9.415 735 HD3 LYS 115 2HD LYS 115 -17.873 2.484 -7.544 736 HE3 LYS 115 2HE LYS 115 -17.394 1.360 -10.278 737 HZ1 LYS 115 3HZ LYS 115 -18.059 0.170 -7.996 738 HZ2 LYS 115 1HZ LYS 115 -18.527 -0.409 -9.516 739 HZ3 LYS 115 2HZ LYS 115 -19.603 0.516 -8.595 Start of MODEL 12 1 H1 MET 1 H MET 1 -18.822 10.591 0.318 2 HA MET 1 HA MET 1 -16.731 10.943 1.235 3 HB3 MET 1 2HB MET 1 -18.155 10.995 3.166 4 HG3 MET 1 2HG MET 1 -18.089 8.031 2.945 5 HE1 MET 1 3HE MET 1 -18.015 6.451 4.250 6 HE2 MET 1 1HE MET 1 -17.102 6.550 5.757 7 HE3 MET 1 2HE MET 1 -18.857 6.378 5.799 8 H ASP 2 H ASP 2 -15.988 9.370 -0.606 9 HA ASP 2 HA ASP 2 -14.246 7.401 0.681 10 HB3 ASP 2 2HB ASP 2 -14.720 5.702 -0.972 11 H THR 3 H THR 3 -12.899 9.397 0.260 12 HA THR 3 HA THR 3 -11.831 9.331 -2.488 13 HB THR 3 HB THR 3 -10.887 11.686 -1.434 14 HG1 THR 3 1HG THR 3 -13.080 12.576 -0.723 15 HG21 THR 3 3HG2 THR 3 -12.271 12.752 -3.022 16 HG22 THR 3 1HG2 THR 3 -13.504 11.498 -2.908 17 HG23 THR 3 2HG2 THR 3 -11.959 11.148 -3.682 18 H SER 4 H SER 4 -9.484 10.099 -2.562 19 HA SER 4 HA SER 4 -7.875 8.298 -1.175 20 HB3 SER 4 2HB SER 4 -7.252 9.433 -3.306 21 HG SER 4 HG SER 4 -7.357 11.526 -3.276 22 H LYS 5 H LYS 5 -9.063 11.403 -0.254 23 HA LYS 5 HA LYS 5 -7.131 12.098 1.677 24 HB3 LYS 5 2HB LYS 5 -8.771 13.698 0.799 25 HG3 LYS 5 2HG LYS 5 -10.874 12.570 2.588 26 HD3 LYS 5 2HD LYS 5 -11.546 13.828 0.026 27 HE3 LYS 5 2HE LYS 5 -12.414 13.931 2.875 28 HZ1 LYS 5 3HZ LYS 5 -12.170 16.273 1.750 29 HZ2 LYS 5 1HZ LYS 5 -13.527 15.889 2.685 30 HZ3 LYS 5 2HZ LYS 5 -13.617 15.827 0.997 31 H PHE 6 H PHE 6 -9.769 9.854 1.707 32 HA PHE 6 HA PHE 6 -9.767 9.592 4.596 33 HB3 PHE 6 2HB PHE 6 -11.185 7.483 3.227 34 HD1 PHE 6 2HD PHE 6 -11.823 10.893 4.612 35 HD2 PHE 6 1HD PHE 6 -12.670 6.725 4.790 36 HE1 PHE 6 2HE PHE 6 -13.342 11.286 6.506 37 HE2 PHE 6 1HE PHE 6 -14.193 7.112 6.683 38 HZ PHE 6 HZ PHE 6 -14.530 9.394 7.545 39 H TRP 7 H TRP 7 -8.515 7.924 1.788 40 HA TRP 7 HA TRP 7 -7.614 5.659 3.372 41 HB3 TRP 7 2HB TRP 7 -6.522 5.134 1.012 42 HD1 TRP 7 HD TRP 7 -7.589 2.935 2.337 43 HE1 TRP 7 1HE TRP 7 -9.807 1.705 1.896 44 HE3 TRP 7 3HE TRP 7 -10.026 6.575 -0.301 45 HZ2 TRP 7 2HZ TRP 7 -12.264 2.212 0.601 46 HZ3 TRP 7 3HZ TRP 7 -12.306 6.121 -1.106 47 HH2 TRP 7 HH TRP 7 -13.400 3.984 -0.664 48 H TYR 8 H TYR 8 -6.522 8.721 2.805 49 HA TYR 8 HA TYR 8 -3.694 7.920 2.990 50 HB3 TYR 8 2HB TYR 8 -4.971 10.454 1.955 51 HD1 TYR 8 1HD TYR 8 -1.720 8.882 2.859 52 HD2 TYR 8 2HD TYR 8 -3.758 12.437 1.714 53 HE1 TYR 8 1HE TYR 8 0.326 10.181 3.275 54 HE2 TYR 8 2HE TYR 8 -1.718 13.746 2.127 55 HH TYR 8 HH TYR 8 0.922 13.091 2.123 56 H LYS 9 H LYS 9 -3.058 7.891 5.042 57 HA LYS 9 HA LYS 9 -3.567 10.255 6.692 58 HB3 LYS 9 2HB LYS 9 -3.923 8.683 8.667 59 HG3 LYS 9 2HG LYS 9 -6.289 8.239 8.192 60 HD3 LYS 9 2HD LYS 9 -6.390 10.807 7.023 61 HE3 LYS 9 2HE LYS 9 -6.605 9.675 9.782 62 HZ1 LYS 9 3HZ LYS 9 -6.966 12.552 9.155 63 HZ2 LYS 9 1HZ LYS 9 -5.611 11.929 9.955 64 HZ3 LYS 9 2HZ LYS 9 -7.143 11.801 10.661 65 HA PRO 10 HA PRO 10 0.851 9.531 7.033 66 HB3 PRO 10 2HB PRO 10 1.124 11.746 6.485 67 HG3 PRO 10 2HG PRO 10 -0.513 13.318 6.991 68 HD3 PRO 10 2HD PRO 10 -1.809 11.712 5.966 69 H HIS 11 H HIS 11 -1.264 10.695 9.624 70 HA HIS 11 HA HIS 11 0.541 10.051 11.736 71 HB3 HIS 11 2HB HIS 11 -1.470 10.376 13.196 72 HD1 HIS 11 1HD HIS 11 -2.954 12.984 11.521 73 HD2 HIS 11 2HD HIS 11 0.957 12.360 12.777 74 HE1 HIS 11 1HE HIS 11 -1.918 15.270 11.657 75 H LEU 12 H LEU 12 -1.660 8.236 9.836 76 HA LEU 12 HA LEU 12 -2.362 6.191 11.621 77 HB3 LEU 12 2HB LEU 12 -1.867 5.741 8.696 78 HG LEU 12 HG LEU 12 -2.724 3.789 9.887 79 HD11 LEU 12 1HD1 LEU 12 -3.920 4.355 11.721 80 HD12 LEU 12 2HD1 LEU 12 -5.267 4.197 10.596 81 HD13 LEU 12 3HD1 LEU 12 -4.611 5.791 10.966 82 HD21 LEU 12 3HD2 LEU 12 -5.133 4.676 8.432 83 HD22 LEU 12 1HD2 LEU 12 -4.150 3.225 8.229 84 HD23 LEU 12 2HD2 LEU 12 -3.611 4.758 7.543 85 H SER 13 H SER 13 -1.504 4.121 11.960 86 HA SER 13 HA SER 13 1.394 3.959 11.511 87 HB3 SER 13 2HB SER 13 1.384 3.502 13.714 88 HG SER 13 HG SER 13 -0.426 3.707 14.763 89 H ARG 14 H ARG 14 2.318 1.834 11.048 90 HA ARG 14 HA ARG 14 1.234 0.643 8.790 91 HB3 ARG 14 2HB ARG 14 3.564 0.386 9.243 92 HG3 ARG 14 2HG ARG 14 2.915 -1.323 11.630 93 HD3 ARG 14 2HD ARG 14 5.439 -0.281 10.381 94 HE ARG 14 HE ARG 14 5.035 -0.640 13.168 95 HH11 ARG 14 1HH1 ARG 14 7.307 -1.238 10.599 96 HH12 ARG 14 2HH1 ARG 14 8.689 -1.231 11.643 97 HH21 ARG 14 1HH2 ARG 14 6.847 -0.630 14.553 98 HH22 ARG 14 2HH2 ARG 14 8.426 -0.887 13.893 99 H ASP 15 H ASP 15 1.141 -0.493 12.156 100 HA ASP 15 HA ASP 15 -0.221 -2.884 11.736 101 HB3 ASP 15 2HB ASP 15 -0.659 -1.146 14.158 102 H GLN 16 H GLN 16 -1.475 0.385 12.249 103 HA GLN 16 HA GLN 16 -4.199 -0.298 12.385 104 HB3 GLN 16 2HB GLN 16 -4.594 2.092 11.781 105 HG3 GLN 16 2HG GLN 16 -3.358 3.129 13.647 106 HE21 GLN 16 1HE2 GLN 16 -3.518 2.137 16.038 107 HE22 GLN 16 2HE2 GLN 16 -5.011 1.318 16.328 108 H ALA 17 H ALA 17 -2.114 0.539 9.655 109 HA ALA 17 HA ALA 17 -4.129 0.616 7.686 110 HB1 ALA 17 1HB ALA 17 -2.376 0.590 6.084 111 HB2 ALA 17 2HB ALA 17 -1.789 1.509 7.472 112 HB3 ALA 17 3HB ALA 17 -1.256 -0.154 7.226 113 H ILE 18 H ILE 18 -2.093 -2.008 8.899 114 HA ILE 18 HA ILE 18 -2.889 -3.950 7.009 115 HB ILE 18 HB ILE 18 -1.890 -4.358 9.830 116 HG13 ILE 18 2HG1 ILE 18 -0.453 -3.064 8.116 117 HG21 ILE 18 1HG2 ILE 18 -2.378 -6.502 9.490 118 HG22 ILE 18 2HG2 ILE 18 -2.803 -6.206 7.806 119 HG23 ILE 18 3HG2 ILE 18 -1.124 -6.509 8.250 120 HD11 ILE 18 3HD1 ILE 18 0.967 -5.527 9.001 121 HD12 ILE 18 1HD1 ILE 18 1.517 -3.851 8.987 122 HD13 ILE 18 2HD1 ILE 18 0.356 -4.388 10.202 123 H ALA 19 H ALA 19 -4.123 -3.085 10.210 124 HA ALA 19 HA ALA 19 -6.029 -5.171 10.384 125 HB1 ALA 19 1HB ALA 19 -7.105 -3.376 12.014 126 HB2 ALA 19 2HB ALA 19 -5.658 -4.287 12.448 127 HB3 ALA 19 3HB ALA 19 -5.513 -2.638 11.840 128 H LEU 20 H LEU 20 -6.135 -1.907 9.071 129 HA LEU 20 HA LEU 20 -8.955 -1.878 8.638 130 HB3 LEU 20 2HB LEU 20 -7.470 -0.164 6.848 131 HG LEU 20 HG LEU 20 -9.784 0.270 7.862 132 HD11 LEU 20 1HD1 LEU 20 -8.071 1.277 10.127 133 HD12 LEU 20 2HD1 LEU 20 -9.136 -0.127 10.194 134 HD13 LEU 20 3HD1 LEU 20 -9.814 1.484 9.959 135 HD21 LEU 20 3HD2 LEU 20 -9.567 2.515 7.411 136 HD22 LEU 20 1HD2 LEU 20 -8.138 1.867 6.605 137 HD23 LEU 20 2HD2 LEU 20 -7.987 2.630 8.189 138 H LEU 21 H LEU 21 -6.183 -2.934 6.799 139 HA LEU 21 HA LEU 21 -7.581 -3.171 4.308 140 HB3 LEU 21 2HB LEU 21 -5.516 -4.654 3.786 141 HG LEU 21 HG LEU 21 -5.038 -1.755 4.479 142 HD11 LEU 21 1HD1 LEU 21 -2.937 -2.857 4.261 143 HD12 LEU 21 2HD1 LEU 21 -3.234 -1.977 2.763 144 HD13 LEU 21 3HD1 LEU 21 -3.474 -3.722 2.822 145 HD21 LEU 21 3HD2 LEU 21 -6.619 -2.992 2.445 146 HD22 LEU 21 1HD2 LEU 21 -5.235 -2.189 1.702 147 HD23 LEU 21 2HD2 LEU 21 -6.331 -1.277 2.741 148 H LYS 22 H LYS 22 -6.691 -5.364 6.927 149 HA LYS 22 HA LYS 22 -7.681 -7.709 5.623 150 HB3 LYS 22 2HB LYS 22 -5.928 -7.626 7.462 151 HG3 LYS 22 2HG LYS 22 -8.368 -7.430 9.218 152 HD3 LYS 22 2HD LYS 22 -5.459 -7.873 9.898 153 HE3 LYS 22 2HE LYS 22 -7.627 -6.735 11.410 154 HZ1 LYS 22 3HZ LYS 22 -6.353 -8.910 12.903 155 HZ2 LYS 22 1HZ LYS 22 -7.693 -9.284 11.939 156 HZ3 LYS 22 2HZ LYS 22 -7.835 -8.138 13.175 157 H ASP 23 H ASP 23 -9.168 -5.106 7.166 158 HA ASP 23 HA ASP 23 -11.587 -6.688 7.727 159 HB3 ASP 23 2HB ASP 23 -11.347 -3.874 8.671 160 H LYS 24 H LYS 24 -10.324 -5.024 5.293 161 HA LYS 24 HA LYS 24 -12.903 -3.831 4.508 162 HB3 LYS 24 2HB LYS 24 -11.329 -2.471 2.911 163 HG3 LYS 24 2HG LYS 24 -10.889 -0.770 4.697 164 HD3 LYS 24 2HD LYS 24 -13.579 -1.963 4.177 165 HE3 LYS 24 2HE LYS 24 -12.963 -0.416 6.483 166 HZ1 LYS 24 3HZ LYS 24 -15.055 1.111 5.442 167 HZ2 LYS 24 1HZ LYS 24 -13.771 1.205 4.344 168 HZ3 LYS 24 2HZ LYS 24 -13.535 1.641 5.961 169 H ASP 25 H ASP 25 -13.083 -3.656 2.044 170 HA ASP 25 HA ASP 25 -13.073 -6.239 0.949 171 HB3 ASP 25 2HB ASP 25 -13.431 -4.923 -1.258 172 HA PRO 26 HA PRO 26 -9.059 -6.803 -0.727 173 HB3 PRO 26 2HB PRO 26 -9.753 -8.891 -1.390 174 HG3 PRO 26 2HG PRO 26 -11.911 -9.242 -2.184 175 HD3 PRO 26 2HD PRO 26 -12.383 -8.099 -0.238 176 H GLY 27 H GLY 27 -7.597 -5.958 -2.197 177 HA2 GLY 27 2HA GLY 27 -6.923 -4.848 -4.161 178 HA3 GLY 27 3HA GLY 27 -8.606 -4.475 -4.501 179 H ALA 28 H ALA 28 -8.730 -3.607 -1.534 180 HA ALA 28 HA ALA 28 -8.367 -0.831 -2.044 181 HB1 ALA 28 1HB ALA 28 -9.599 -0.534 -0.200 182 HB2 ALA 28 2HB ALA 28 -9.843 -2.280 -0.261 183 HB3 ALA 28 3HB ALA 28 -8.581 -1.601 0.768 184 H PHE 29 H PHE 29 -6.907 0.620 -1.082 185 HA PHE 29 HA PHE 29 -4.555 -0.556 0.219 186 HB3 PHE 29 2HB PHE 29 -4.160 -0.224 -2.257 187 HD1 PHE 29 2HD PHE 29 -6.297 1.280 -2.848 188 HD2 PHE 29 1HD PHE 29 -2.462 2.748 -1.728 189 HE1 PHE 29 2HE PHE 29 -6.791 3.414 -3.967 190 HE2 PHE 29 1HE PHE 29 -2.951 4.886 -2.844 191 HZ PHE 29 HZ PHE 29 -5.117 5.221 -3.967 192 H LEU 30 H LEU 30 -3.113 1.194 1.143 193 HA LEU 30 HA LEU 30 -4.483 3.672 1.805 194 HB3 LEU 30 2HB LEU 30 -3.668 1.627 3.860 195 HG LEU 30 HG LEU 30 -3.900 4.508 4.207 196 HD11 LEU 30 1HD1 LEU 30 -5.354 2.926 6.276 197 HD12 LEU 30 2HD1 LEU 30 -6.219 3.505 4.853 198 HD13 LEU 30 3HD1 LEU 30 -5.419 4.653 5.926 199 HD21 LEU 30 3HD2 LEU 30 -2.367 4.119 5.803 200 HD22 LEU 30 1HD2 LEU 30 -2.246 2.530 5.046 201 HD23 LEU 30 2HD2 LEU 30 -3.259 2.751 6.472 202 H ILE 31 H ILE 31 -3.109 5.319 2.478 203 HA ILE 31 HA ILE 31 -0.237 4.709 2.226 204 HB ILE 31 HB ILE 31 -1.656 7.308 1.628 205 HG13 ILE 31 2HG1 ILE 31 -1.969 5.361 0.011 206 HG21 ILE 31 1HG2 ILE 31 0.709 7.707 0.552 207 HG22 ILE 31 2HG2 ILE 31 0.422 8.032 2.262 208 HG23 ILE 31 3HG2 ILE 31 1.215 6.536 1.768 209 HD11 ILE 31 3HD1 ILE 31 -0.526 7.185 -1.690 210 HD12 ILE 31 1HD1 ILE 31 -2.253 6.835 -1.615 211 HD13 ILE 31 2HD1 ILE 31 -1.549 8.044 -0.539 212 H ARG 32 H ARG 32 1.180 5.458 3.742 213 HA ARG 32 HA ARG 32 0.168 7.166 5.891 214 HB3 ARG 32 2HB ARG 32 -0.070 4.726 6.524 215 HG3 ARG 32 2HG ARG 32 2.671 4.455 7.374 216 HD3 ARG 32 2HD ARG 32 1.037 2.678 5.576 217 HE ARG 32 HE ARG 32 3.514 2.288 6.914 218 HH11 ARG 32 1HH1 ARG 32 0.547 0.689 6.041 219 HH12 ARG 32 2HH1 ARG 32 1.250 -0.893 6.029 220 HH21 ARG 32 1HH2 ARG 32 4.452 0.208 6.901 221 HH22 ARG 32 2HH2 ARG 32 3.471 -1.166 6.520 222 H ASP 33 H ASP 33 1.946 7.946 7.318 223 HA ASP 33 HA ASP 33 4.118 8.887 5.710 224 HB3 ASP 33 2HB ASP 33 3.736 9.169 8.697 225 H SER 34 H SER 34 5.954 7.856 5.337 226 HA SER 34 HA SER 34 6.720 5.614 7.040 227 HB3 SER 34 2HB SER 34 8.276 6.403 4.610 228 HG SER 34 HG SER 34 7.365 3.830 5.245 229 H HIS 35 H HIS 35 7.470 6.751 8.861 230 HA HIS 35 HA HIS 35 9.475 8.765 8.698 231 HB3 HIS 35 2HB HIS 35 9.581 7.542 11.249 232 HD1 HIS 35 1HD HIS 35 6.814 9.896 10.231 233 HD2 HIS 35 2HD HIS 35 10.558 9.992 12.028 234 HE1 HIS 35 1HE HIS 35 7.083 12.241 11.097 235 H SER 36 H SER 36 9.575 5.424 8.318 236 HA SER 36 HA SER 36 12.022 4.739 9.503 237 HB3 SER 36 2HB SER 36 12.040 2.911 7.708 238 HG SER 36 HG SER 36 9.992 3.369 9.564 239 H PHE 37 H PHE 37 11.561 4.994 5.987 240 HA PHE 37 HA PHE 37 14.334 5.850 5.720 241 HB3 PHE 37 2HB PHE 37 13.710 5.650 3.210 242 HD1 PHE 37 1HD PHE 37 12.538 2.818 5.300 243 HD2 PHE 37 2HD PHE 37 15.692 4.458 2.960 244 HE1 PHE 37 1HE PHE 37 13.761 0.688 5.462 245 HE2 PHE 37 2HE PHE 37 16.920 2.332 3.118 246 HZ PHE 37 HZ PHE 37 15.954 0.443 4.369 247 H GLN 38 H GLN 38 14.986 7.787 4.855 248 HA GLN 38 HA GLN 38 13.286 10.015 5.231 249 HB3 GLN 38 2HB GLN 38 15.694 10.200 5.515 250 HG3 GLN 38 2HG GLN 38 16.326 10.345 2.663 251 HE21 GLN 38 1HE2 GLN 38 18.075 8.004 3.045 252 HE22 GLN 38 2HE2 GLN 38 19.361 8.549 4.064 253 H GLY 39 H GLY 39 11.918 11.011 3.891 254 HA2 GLY 39 2HA GLY 39 10.789 11.592 1.977 255 HA3 GLY 39 3HA GLY 39 12.253 11.192 1.089 256 H ALA 40 H ALA 40 10.257 9.065 3.094 257 HA ALA 40 HA ALA 40 9.532 7.568 0.664 258 HB1 ALA 40 1HB ALA 40 9.712 5.749 2.828 259 HB2 ALA 40 2HB ALA 40 10.681 5.802 1.355 260 HB3 ALA 40 3HB ALA 40 11.205 6.688 2.787 261 H TYR 41 H TYR 41 7.622 6.200 0.909 262 HA TYR 41 HA TYR 41 5.813 7.074 3.055 263 HB3 TYR 41 2HB TYR 41 4.053 6.777 1.038 264 HD1 TYR 41 1HD TYR 41 6.478 9.532 0.618 265 HD2 TYR 41 2HD TYR 41 2.823 8.288 2.405 266 HE1 TYR 41 1HE TYR 41 5.986 11.865 1.223 267 HE2 TYR 41 2HE TYR 41 2.321 10.617 3.014 268 HH TYR 41 HH TYR 41 4.662 13.190 2.524 269 H GLY 42 H GLY 42 4.412 5.541 3.835 270 HA2 GLY 42 2HA GLY 42 5.046 2.793 3.121 271 HA3 GLY 42 3HA GLY 42 4.081 3.320 4.492 272 H LEU 43 H LEU 43 3.948 1.731 1.623 273 HA LEU 43 HA LEU 43 1.141 2.480 1.143 274 HB3 LEU 43 2HB LEU 43 3.159 1.178 -0.678 275 HG LEU 43 HG LEU 43 0.744 0.452 -1.105 276 HD11 LEU 43 1HD1 LEU 43 -0.618 2.088 -2.340 277 HD12 LEU 43 2HD1 LEU 43 0.563 3.339 -1.955 278 HD13 LEU 43 3HD1 LEU 43 -0.351 2.562 -0.662 279 HD21 LEU 43 3HD2 LEU 43 2.644 0.368 -2.734 280 HD22 LEU 43 1HD2 LEU 43 2.113 1.937 -3.339 281 HD23 LEU 43 2HD2 LEU 43 1.049 0.536 -3.467 282 H ALA 44 H ALA 44 -0.397 1.054 1.609 283 HA ALA 44 HA ALA 44 0.386 -1.761 2.009 284 HB1 ALA 44 1HB ALA 44 -1.031 -1.949 3.850 285 HB2 ALA 44 2HB ALA 44 -0.278 -0.367 4.062 286 HB3 ALA 44 3HB ALA 44 -1.922 -0.485 3.434 287 H LEU 45 H LEU 45 -0.862 -3.333 1.107 288 HA LEU 45 HA LEU 45 -3.321 -2.527 -0.279 289 HB3 LEU 45 2HB LEU 45 -0.960 -3.972 -1.441 290 HG LEU 45 HG LEU 45 -2.961 -5.264 -2.110 291 HD11 LEU 45 1HD1 LEU 45 -4.058 -2.630 -2.421 292 HD12 LEU 45 2HD1 LEU 45 -4.871 -4.194 -2.461 293 HD13 LEU 45 3HD1 LEU 45 -4.176 -3.525 -3.937 294 HD21 LEU 45 3HD2 LEU 45 -1.593 -3.618 -4.231 295 HD22 LEU 45 1HD2 LEU 45 -2.597 -5.028 -4.569 296 HD23 LEU 45 2HD2 LEU 45 -1.116 -5.206 -3.628 297 H LYS 46 H LYS 46 -4.927 -4.051 -0.338 298 HA LYS 46 HA LYS 46 -4.486 -6.414 1.337 299 HB3 LYS 46 2HB LYS 46 -7.058 -5.129 0.398 300 HG3 LYS 46 2HG LYS 46 -7.355 -7.519 0.875 301 HD3 LYS 46 2HD LYS 46 -6.467 -6.831 3.675 302 HE3 LYS 46 2HE LYS 46 -6.677 -9.174 4.112 303 HZ1 LYS 46 3HZ LYS 46 -8.869 -9.084 4.378 304 HZ2 LYS 46 1HZ LYS 46 -9.167 -9.029 2.713 305 HZ3 LYS 46 2HZ LYS 46 -8.833 -7.604 3.561 306 H VAL 47 H VAL 47 -4.475 -8.411 0.526 307 HA VAL 47 HA VAL 47 -5.517 -8.820 -2.201 308 HB VAL 47 HB VAL 47 -3.706 -10.508 -2.532 309 HG11 VAL 47 1HG1 VAL 47 -1.892 -8.429 -2.336 310 HG12 VAL 47 2HG1 VAL 47 -2.939 -8.778 -3.713 311 HG13 VAL 47 3HG1 VAL 47 -3.450 -7.618 -2.486 312 HG21 VAL 47 3HG2 VAL 47 -2.583 -9.276 -0.017 313 HG22 VAL 47 1HG2 VAL 47 -3.160 -10.932 -0.202 314 HG23 VAL 47 2HG2 VAL 47 -1.728 -10.394 -1.080 315 H ALA 48 H ALA 48 -6.509 -10.786 -2.627 316 HA ALA 48 HA ALA 48 -7.973 -11.984 -0.604 317 HB1 ALA 48 1HB ALA 48 -8.663 -12.183 -2.889 318 HB2 ALA 48 2HB ALA 48 -7.198 -13.078 -3.303 319 HB3 ALA 48 3HB ALA 48 -8.407 -13.804 -2.243 320 H THR 49 H THR 49 -5.082 -13.289 -2.237 321 HA THR 49 HA THR 49 -3.890 -14.305 0.078 322 HB THR 49 HB THR 49 -5.498 -15.954 0.396 323 HG1 THR 49 1HG THR 49 -4.398 -17.828 -0.030 324 HG21 THR 49 3HG2 THR 49 -6.340 -17.371 -1.535 325 HG22 THR 49 1HG2 THR 49 -5.595 -16.184 -2.605 326 HG23 THR 49 2HG2 THR 49 -6.885 -15.694 -1.506 327 HA PRO 50 HA PRO 50 -0.589 -14.657 -2.806 328 HB3 PRO 50 2HB PRO 50 0.818 -14.557 -0.993 329 HG3 PRO 50 2HG PRO 50 0.240 -15.547 1.031 330 HD3 PRO 50 2HD PRO 50 -1.685 -14.350 0.611 331 HA PRO 51 HA PRO 51 -0.857 -18.376 -5.136 332 HB3 PRO 51 2HB PRO 51 0.642 -17.457 -6.615 333 HG3 PRO 51 2HG PRO 51 2.434 -16.178 -5.866 334 HD3 PRO 51 2HD PRO 51 0.715 -15.163 -4.716 335 HA PRO 52 HA PRO 52 0.260 -21.386 -1.961 336 HB3 PRO 52 2HB PRO 52 -1.969 -21.934 -1.857 337 HG3 PRO 52 2HG PRO 52 -3.362 -21.645 -3.697 338 HD3 PRO 52 2HD PRO 52 -2.368 -19.567 -3.621 339 H SER 53 H SER 53 0.317 -24.034 -2.466 340 HA SER 53 HA SER 53 1.677 -24.624 -4.937 341 HB3 SER 53 2HB SER 53 3.747 -25.458 -3.687 342 HG SER 53 HG SER 53 4.498 -23.701 -4.531 343 H ALA 54 H ALA 54 -0.560 -25.776 -4.300 344 HA ALA 54 HA ALA 54 -1.645 -27.729 -3.844 345 HB1 ALA 54 1HB ALA 54 1.016 -29.080 -4.184 346 HB2 ALA 54 2HB ALA 54 -0.589 -29.699 -4.572 347 HB3 ALA 54 3HB ALA 54 0.117 -28.408 -5.545 348 H GLN 55 H GLN 55 -0.643 -26.298 -1.572 349 HA GLN 55 HA GLN 55 -0.823 -28.405 0.381 350 HB3 GLN 55 2HB GLN 55 1.325 -27.202 1.494 351 HG3 GLN 55 2HG GLN 55 1.926 -29.323 -0.502 352 HE21 GLN 55 1HE2 GLN 55 2.519 -31.213 1.460 353 HE22 GLN 55 2HE2 GLN 55 3.888 -30.664 2.359 354 HA PRO 56 HA PRO 56 -2.748 -24.332 1.512 355 HB3 PRO 56 2HB PRO 56 -4.740 -24.915 0.526 356 HG3 PRO 56 2HG PRO 56 -5.298 -27.145 0.176 357 HD3 PRO 56 2HD PRO 56 -3.177 -27.120 -0.728 358 H TRP 57 H TRP 57 -2.807 -23.537 3.549 359 HA TRP 57 HA TRP 57 -2.113 -25.340 5.714 360 HB3 TRP 57 2HB TRP 57 -1.659 -23.344 7.000 361 HD1 TRP 57 HD TRP 57 -1.179 -22.087 3.383 362 HE1 TRP 57 1HE TRP 57 1.338 -22.121 2.849 363 HE3 TRP 57 3HE TRP 57 0.527 -24.314 7.657 364 HZ2 TRP 57 2HZ TRP 57 3.731 -22.979 4.077 365 HZ3 TRP 57 3HZ TRP 57 2.944 -24.706 7.898 366 HH2 TRP 57 HH TRP 57 4.511 -24.052 6.145 367 H LYS 58 H LYS 58 -3.181 -24.196 7.923 368 HA LYS 58 HA LYS 58 -5.995 -24.926 7.664 369 HB3 LYS 58 2HB LYS 58 -4.942 -24.237 10.329 370 HG3 LYS 58 2HG LYS 58 -6.231 -26.757 9.301 371 HD3 LYS 58 2HD LYS 58 -5.752 -25.672 12.074 372 HE3 LYS 58 2HE LYS 58 -7.901 -27.281 11.112 373 HZ1 LYS 58 3HZ LYS 58 -6.516 -29.197 11.394 374 HZ2 LYS 58 1HZ LYS 58 -7.623 -29.150 12.672 375 HZ3 LYS 58 2HZ LYS 58 -6.017 -28.685 12.928 376 H GLY 59 H GLY 59 -3.955 -22.190 8.437 377 HA2 GLY 59 2HA GLY 59 -6.223 -20.412 8.125 378 HA3 GLY 59 3HA GLY 59 -5.510 -20.415 9.731 379 H ASP 60 H ASP 60 -2.817 -20.693 9.069 380 HA ASP 60 HA ASP 60 -0.982 -19.468 8.516 381 HB3 ASP 60 2HB ASP 60 -1.790 -17.840 6.376 382 HA PRO 61 HA PRO 61 -1.307 -15.542 10.443 383 HB3 PRO 61 2HB PRO 61 0.989 -15.469 10.468 384 HG3 PRO 61 2HG PRO 61 2.235 -16.268 8.675 385 HD3 PRO 61 2HD PRO 61 0.831 -18.065 9.015 386 H VAL 62 H VAL 62 -2.790 -14.015 10.135 387 HA VAL 62 HA VAL 62 -3.932 -13.340 7.689 388 HB VAL 62 HB VAL 62 -5.095 -12.914 9.770 389 HG11 VAL 62 1HG1 VAL 62 -3.925 -10.492 10.660 390 HG12 VAL 62 2HG1 VAL 62 -4.051 -12.030 11.518 391 HG13 VAL 62 3HG1 VAL 62 -2.638 -11.689 10.518 392 HG21 VAL 62 3HG2 VAL 62 -5.094 -11.268 7.594 393 HG22 VAL 62 1HG2 VAL 62 -6.246 -11.183 8.927 394 HG23 VAL 62 2HG2 VAL 62 -4.835 -10.125 8.912 395 H GLU 63 H GLU 63 -1.069 -12.145 9.222 396 HA GLU 63 HA GLU 63 -0.801 -9.633 8.067 397 HB3 GLU 63 2HB GLU 63 1.739 -11.006 8.131 398 HG3 GLU 63 2HG GLU 63 1.014 -9.284 10.390 399 H GLN 64 H GLN 64 -0.444 -12.789 6.665 400 HA GLN 64 HA GLN 64 1.048 -12.004 4.374 401 HB3 GLN 64 2HB GLN 64 -0.813 -14.362 4.434 402 HG3 GLN 64 2HG GLN 64 0.715 -13.734 2.444 403 HE21 GLN 64 1HE2 GLN 64 2.692 -13.194 1.901 404 HE22 GLN 64 2HE2 GLN 64 4.142 -13.648 2.724 405 H LEU 65 H LEU 65 -2.305 -11.893 5.228 406 HA LEU 65 HA LEU 65 -3.367 -11.730 2.596 407 HB3 LEU 65 2HB LEU 65 -5.417 -11.153 3.610 408 HG LEU 65 HG LEU 65 -4.067 -12.766 5.770 409 HD11 LEU 65 1HD1 LEU 65 -6.587 -11.700 5.712 410 HD12 LEU 65 2HD1 LEU 65 -6.093 -13.116 6.640 411 HD13 LEU 65 3HD1 LEU 65 -6.841 -13.317 5.055 412 HD21 LEU 65 3HD2 LEU 65 -5.322 -14.594 4.266 413 HD22 LEU 65 1HD2 LEU 65 -3.629 -14.156 4.040 414 HD23 LEU 65 2HD2 LEU 65 -4.869 -13.444 3.008 415 H VAL 66 H VAL 66 -1.845 -9.466 4.717 416 HA VAL 66 HA VAL 66 -2.519 -7.278 2.857 417 HB VAL 66 HB VAL 66 -1.804 -7.075 5.787 418 HG11 VAL 66 1HG1 VAL 66 -2.734 -4.641 5.139 419 HG12 VAL 66 2HG1 VAL 66 -1.023 -5.069 5.093 420 HG13 VAL 66 3HG1 VAL 66 -1.979 -5.087 3.610 421 HG21 VAL 66 3HG2 VAL 66 -3.998 -7.742 5.849 422 HG22 VAL 66 1HG2 VAL 66 -4.201 -5.996 5.706 423 HG23 VAL 66 2HG2 VAL 66 -4.377 -7.024 4.284 424 H ARG 67 H ARG 67 -0.890 -6.480 1.710 425 HA ARG 67 HA ARG 67 1.858 -7.053 2.597 426 HB3 ARG 67 2HB ARG 67 1.814 -6.207 -0.118 427 HG3 ARG 67 2HG ARG 67 3.186 -8.039 1.257 428 HD3 ARG 67 2HD ARG 67 0.792 -9.389 0.546 429 HE ARG 67 HE ARG 67 2.865 -9.971 -1.322 430 HH11 ARG 67 1HH1 ARG 67 0.332 -11.408 0.585 431 HH12 ARG 67 2HH1 ARG 67 0.113 -12.755 -0.482 432 HH21 ARG 67 1HH2 ARG 67 2.587 -11.739 -2.736 433 HH22 ARG 67 2HH2 ARG 67 1.398 -12.943 -2.371 434 H HIS 68 H HIS 68 2.886 -5.370 3.429 435 HA HIS 68 HA HIS 68 2.294 -2.687 2.359 436 HB3 HIS 68 2HB HIS 68 1.474 -2.772 4.608 437 HD1 HIS 68 1HD HIS 68 5.031 -2.923 5.777 438 HD2 HIS 68 2HD HIS 68 1.537 -5.155 6.046 439 HE1 HIS 68 1HE HIS 68 5.481 -4.668 7.532 440 H PHE 69 H PHE 69 3.942 -1.676 1.429 441 HA PHE 69 HA PHE 69 6.680 -2.412 2.208 442 HB3 PHE 69 2HB PHE 69 7.384 -2.316 -0.131 443 HD1 PHE 69 1HD PHE 69 7.853 -4.555 0.916 444 HD2 PHE 69 2HD PHE 69 4.178 -3.644 -1.026 445 HE1 PHE 69 1HE PHE 69 7.379 -6.959 0.694 446 HE2 PHE 69 2HE PHE 69 3.697 -6.047 -1.249 447 HZ PHE 69 HZ PHE 69 5.297 -7.708 -0.389 448 H LEU 70 H LEU 70 8.283 -0.775 1.809 449 HA LEU 70 HA LEU 70 7.147 1.918 1.997 450 HB3 LEU 70 2HB LEU 70 8.707 1.031 3.754 451 HG LEU 70 HG LEU 70 10.402 0.263 1.759 452 HD11 LEU 70 1HD1 LEU 70 11.244 2.277 1.040 453 HD12 LEU 70 2HD1 LEU 70 12.407 1.845 2.293 454 HD13 LEU 70 3HD1 LEU 70 11.138 3.018 2.638 455 HD21 LEU 70 3HD2 LEU 70 11.746 -0.466 3.466 456 HD22 LEU 70 1HD2 LEU 70 10.249 -0.165 4.348 457 HD23 LEU 70 2HD2 LEU 70 11.556 1.018 4.399 458 H ILE 71 H ILE 71 7.375 3.374 0.425 459 HA ILE 71 HA ILE 71 9.084 2.675 -1.861 460 HB ILE 71 HB ILE 71 6.956 4.798 -1.893 461 HG13 ILE 71 2HG1 ILE 71 6.635 1.883 -1.769 462 HG21 ILE 71 1HG2 ILE 71 7.151 4.741 -4.180 463 HG22 ILE 71 2HG2 ILE 71 8.809 4.390 -3.698 464 HG23 ILE 71 3HG2 ILE 71 7.740 3.080 -4.199 465 HD11 ILE 71 3HD1 ILE 71 5.302 4.165 -0.798 466 HD12 ILE 71 1HD1 ILE 71 4.175 3.308 -1.849 467 HD13 ILE 71 2HD1 ILE 71 4.931 2.468 -0.495 468 H GLU 72 H GLU 72 10.711 3.973 -2.513 469 HA GLU 72 HA GLU 72 11.132 6.462 -0.991 470 HB3 GLU 72 2HB GLU 72 12.809 4.755 -0.483 471 HG3 GLU 72 2HG GLU 72 13.459 4.849 -3.419 472 H THR 73 H THR 73 11.786 8.302 -2.073 473 HA THR 73 HA THR 73 11.579 8.175 -5.012 474 HB THR 73 HB THR 73 9.746 9.462 -4.220 475 HG1 THR 73 1HG THR 73 11.667 11.458 -4.820 476 HG21 THR 73 3HG2 THR 73 11.614 10.256 -2.158 477 HG22 THR 73 1HG2 THR 73 9.853 10.322 -2.162 478 HG23 THR 73 2HG2 THR 73 10.786 11.652 -2.847 479 H GLY 74 H GLY 74 13.384 8.602 -6.092 480 HA2 GLY 74 2HA GLY 74 15.382 10.373 -4.825 481 HA3 GLY 74 3HA GLY 74 15.847 8.898 -5.660 482 HA PRO 75 HA PRO 75 16.146 12.448 -8.639 483 HB3 PRO 75 2HB PRO 75 18.355 12.809 -8.124 484 HG3 PRO 75 2HG PRO 75 19.657 11.126 -7.185 485 HD3 PRO 75 2HD PRO 75 17.829 11.042 -5.783 486 H LYS 76 H LYS 76 16.075 9.072 -8.725 487 HA LYS 76 HA LYS 76 15.958 9.038 -11.667 488 HB3 LYS 76 2HB LYS 76 16.495 6.712 -11.598 489 HG3 LYS 76 2HG LYS 76 18.261 7.563 -9.374 490 HD3 LYS 76 2HD LYS 76 18.368 5.917 -11.801 491 HE3 LYS 76 2HE LYS 76 20.975 7.089 -10.990 492 HZ1 LYS 76 3HZ LYS 76 21.498 5.703 -12.632 493 HZ2 LYS 76 1HZ LYS 76 20.833 6.840 -13.693 494 HZ3 LYS 76 2HZ LYS 76 19.895 5.543 -13.147 495 H GLY 77 H GLY 77 13.962 9.335 -9.129 496 HA2 GLY 77 2HA GLY 77 11.567 9.366 -9.736 497 HA3 GLY 77 3HA GLY 77 11.823 7.782 -10.451 498 H VAL 78 H VAL 78 9.856 7.574 -8.905 499 HA VAL 78 HA VAL 78 10.821 6.814 -6.227 500 HB VAL 78 HB VAL 78 9.078 8.530 -6.173 501 HG11 VAL 78 1HG1 VAL 78 6.872 8.168 -7.016 502 HG12 VAL 78 2HG1 VAL 78 8.008 7.843 -8.327 503 HG13 VAL 78 3HG1 VAL 78 7.255 6.505 -7.459 504 HG21 VAL 78 3HG2 VAL 78 8.477 7.587 -4.255 505 HG22 VAL 78 1HG2 VAL 78 7.346 6.549 -5.125 506 HG23 VAL 78 2HG2 VAL 78 9.003 6.011 -4.849 507 H LYS 79 H LYS 79 10.841 4.731 -5.701 508 HA LYS 79 HA LYS 79 8.997 2.878 -7.006 509 HB3 LYS 79 2HB LYS 79 11.167 2.928 -8.294 510 HG3 LYS 79 2HG LYS 79 12.414 2.871 -5.876 511 HD3 LYS 79 2HD LYS 79 12.009 0.089 -6.807 512 HE3 LYS 79 2HE LYS 79 14.362 0.361 -7.308 513 HZ1 LYS 79 3HZ LYS 79 14.668 1.312 -4.511 514 HZ2 LYS 79 1HZ LYS 79 14.811 2.281 -5.889 515 HZ3 LYS 79 2HZ LYS 79 15.921 1.036 -5.612 516 H ILE 80 H ILE 80 8.887 0.782 -5.916 517 HA ILE 80 HA ILE 80 9.009 1.116 -3.057 518 HB ILE 80 HB ILE 80 8.107 -1.212 -4.752 519 HG13 ILE 80 2HG1 ILE 80 6.853 1.137 -4.475 520 HG21 ILE 80 1HG2 ILE 80 8.416 -2.425 -2.896 521 HG22 ILE 80 2HG2 ILE 80 8.608 -0.996 -1.882 522 HG23 ILE 80 3HG2 ILE 80 6.994 -1.580 -2.285 523 HD11 ILE 80 3HD1 ILE 80 4.761 0.099 -4.937 524 HD12 ILE 80 1HD1 ILE 80 6.021 -0.820 -5.759 525 HD13 ILE 80 2HD1 ILE 80 5.313 -1.434 -4.264 526 H LYS 81 H LYS 81 10.498 0.343 -1.695 527 HA LYS 81 HA LYS 81 13.006 -0.479 -2.466 528 HB3 LYS 81 2HB LYS 81 11.496 -1.001 0.094 529 HG3 LYS 81 2HG LYS 81 13.251 -2.656 0.011 530 HD3 LYS 81 2HD LYS 81 15.132 -0.344 -0.473 531 HE3 LYS 81 2HE LYS 81 15.707 -2.578 0.907 532 HZ1 LYS 81 3HZ LYS 81 15.598 -3.374 -1.855 533 HZ2 LYS 81 1HZ LYS 81 15.664 -4.325 -0.457 534 HZ3 LYS 81 2HZ LYS 81 17.088 -3.701 -1.124 535 H GLY 82 H GLY 82 10.172 -2.466 -1.773 536 HA2 GLY 82 2HA GLY 82 11.691 -4.911 -2.265 537 HA3 GLY 82 3HA GLY 82 10.021 -4.814 -1.724 538 H CYS 83 H CYS 83 11.893 -3.719 -4.559 539 HA CYS 83 HA CYS 83 9.660 -4.570 -6.259 540 HB3 CYS 83 2HB CYS 83 11.252 -3.274 -7.981 541 HG CYS 83 HG CYS 83 8.607 -2.417 -6.248 542 HA PRO 84 HA PRO 84 11.839 -7.979 -7.954 543 HB3 PRO 84 2HB PRO 84 9.942 -8.442 -9.166 544 HG3 PRO 84 2HG PRO 84 8.643 -6.732 -10.058 545 HD3 PRO 84 2HD PRO 84 8.838 -5.989 -7.884 546 H SER 85 H SER 85 11.997 -4.967 -9.804 547 HA SER 85 HA SER 85 14.812 -5.538 -10.387 548 HB3 SER 85 2HB SER 85 14.307 -5.949 -12.542 549 HG SER 85 HG SER 85 12.135 -6.326 -12.152 550 H GLU 86 H GLU 86 12.666 -2.971 -11.552 551 HA GLU 86 HA GLU 86 13.157 -1.009 -9.686 552 HB3 GLU 86 2HB GLU 86 15.464 -0.983 -9.985 553 HG3 GLU 86 2HG GLU 86 14.872 -1.704 -12.783 554 HA PRO 87 HA PRO 87 10.230 0.058 -13.063 555 HB3 PRO 87 2HB PRO 87 8.482 -0.710 -11.785 556 HG3 PRO 87 2HG PRO 87 8.645 -0.816 -9.468 557 HD3 PRO 87 2HD PRO 87 10.602 -1.884 -10.054 558 H TYR 88 H TYR 88 10.699 1.991 -10.097 559 HA TYR 88 HA TYR 88 10.897 4.242 -9.773 560 HB3 TYR 88 2HB TYR 88 12.487 5.342 -11.476 561 HD1 TYR 88 1HD TYR 88 13.562 1.858 -10.878 562 HD2 TYR 88 2HD TYR 88 13.645 5.871 -9.465 563 HE1 TYR 88 1HE TYR 88 15.304 1.244 -9.254 564 HE2 TYR 88 2HE TYR 88 15.388 5.269 -7.839 565 HH TYR 88 HH TYR 88 17.238 3.344 -7.751 566 H PHE 89 H PHE 89 8.715 4.795 -10.079 567 HA PHE 89 HA PHE 89 7.936 5.727 -12.742 568 HB3 PHE 89 2HB PHE 89 5.663 6.007 -11.565 569 HD1 PHE 89 1HD PHE 89 6.164 4.814 -13.949 570 HD2 PHE 89 2HD PHE 89 5.927 2.878 -10.165 571 HE1 PHE 89 1HE PHE 89 5.614 2.695 -15.072 572 HE2 PHE 89 2HE PHE 89 5.377 0.755 -11.282 573 HZ PHE 89 HZ PHE 89 5.220 0.662 -13.738 574 H GLY 90 H GLY 90 6.212 7.696 -12.357 575 HA2 GLY 90 2HA GLY 90 7.844 9.944 -11.828 576 HA3 GLY 90 3HA GLY 90 6.107 9.975 -12.096 577 H SER 91 H SER 91 4.752 9.300 -10.204 578 HA SER 91 HA SER 91 6.026 9.990 -7.645 579 HB3 SER 91 2HB SER 91 3.324 10.946 -7.659 580 HG SER 91 HG SER 91 5.252 12.851 -7.771 581 H LEU 92 H LEU 92 4.387 9.547 -5.792 582 HA LEU 92 HA LEU 92 3.909 6.823 -5.655 583 HB3 LEU 92 2HB LEU 92 2.165 7.653 -3.835 584 HG LEU 92 HG LEU 92 5.149 7.963 -3.585 585 HD11 LEU 92 1HD1 LEU 92 3.434 7.837 -1.175 586 HD12 LEU 92 2HD1 LEU 92 3.525 9.379 -2.025 587 HD13 LEU 92 3HD1 LEU 92 4.997 8.617 -1.420 588 HD21 LEU 92 3HD2 LEU 92 3.174 5.813 -3.164 589 HD22 LEU 92 1HD2 LEU 92 4.419 5.978 -1.923 590 HD23 LEU 92 2HD2 LEU 92 4.879 5.722 -3.607 591 H SER 93 H SER 93 1.757 9.424 -6.664 592 HA SER 93 HA SER 93 -0.583 7.818 -6.840 593 HB3 SER 93 2HB SER 93 -1.133 9.845 -8.536 594 HG SER 93 HG SER 93 -2.019 10.837 -6.775 595 H ALA 94 H ALA 94 2.006 8.632 -9.060 596 HA ALA 94 HA ALA 94 0.778 7.685 -11.425 597 HB1 ALA 94 1HB ALA 94 2.871 9.165 -11.142 598 HB2 ALA 94 2HB ALA 94 3.742 7.638 -11.000 599 HB3 ALA 94 3HB ALA 94 2.830 8.001 -12.465 600 H LEU 95 H LEU 95 2.983 6.154 -9.101 601 HA LEU 95 HA LEU 95 3.073 3.663 -10.486 602 HB3 LEU 95 2HB LEU 95 4.900 4.208 -9.079 603 HG LEU 95 HG LEU 95 3.401 5.557 -7.380 604 HD11 LEU 95 1HD1 LEU 95 3.153 2.764 -6.509 605 HD12 LEU 95 2HD1 LEU 95 2.129 4.159 -6.170 606 HD13 LEU 95 3HD1 LEU 95 3.609 3.906 -5.245 607 HD21 LEU 95 3HD2 LEU 95 6.056 4.537 -7.397 608 HD22 LEU 95 1HD2 LEU 95 5.450 4.494 -5.741 609 HD23 LEU 95 2HD2 LEU 95 5.442 6.009 -6.644 610 H VAL 96 H VAL 96 1.041 5.034 -7.997 611 HA VAL 96 HA VAL 96 -0.165 2.607 -7.146 612 HB VAL 96 HB VAL 96 -0.850 5.503 -6.844 613 HG11 VAL 96 1HG1 VAL 96 -2.688 3.182 -6.364 614 HG12 VAL 96 2HG1 VAL 96 -2.822 4.672 -5.430 615 HG13 VAL 96 3HG1 VAL 96 -3.020 4.708 -7.182 616 HG21 VAL 96 3HG2 VAL 96 -0.978 4.003 -4.442 617 HG22 VAL 96 1HG2 VAL 96 0.466 3.496 -5.317 618 HG23 VAL 96 2HG2 VAL 96 0.226 5.198 -4.924 619 H SER 97 H SER 97 -1.045 5.059 -9.543 620 HA SER 97 HA SER 97 -3.533 3.846 -10.230 621 HB3 SER 97 2HB SER 97 -3.408 5.389 -12.223 622 HG SER 97 HG SER 97 -4.260 6.701 -10.837 623 H GLN 98 H GLN 98 -0.267 3.732 -11.564 624 HA GLN 98 HA GLN 98 -0.955 2.181 -13.848 625 HB3 GLN 98 2HB GLN 98 1.519 1.766 -13.974 626 HG3 GLN 98 2HG GLN 98 2.107 4.342 -13.897 627 HE21 GLN 98 1HE2 GLN 98 1.849 5.464 -15.942 628 HE22 GLN 98 2HE2 GLN 98 1.481 4.552 -17.363 629 H HIS 99 H HIS 99 -0.109 1.431 -10.551 630 HA HIS 99 HA HIS 99 0.495 -1.318 -10.959 631 HB3 HIS 99 2HB HIS 99 -0.179 -1.327 -8.390 632 HD1 HIS 99 1HD HIS 99 1.971 0.178 -6.873 633 HD2 HIS 99 2HD HIS 99 2.563 -1.456 -10.646 634 HE1 HIS 99 1HE HIS 99 4.456 -0.150 -7.082 635 H SER 100 H SER 100 -2.384 0.390 -11.135 636 HA SER 100 HA SER 100 -4.076 -1.790 -10.218 637 HB3 SER 100 2HB SER 100 -4.452 0.867 -10.097 638 HG SER 100 HG SER 100 -5.237 1.652 -11.870 639 H ILE 101 H ILE 101 -2.418 -1.076 -12.987 640 HA ILE 101 HA ILE 101 -4.291 -2.660 -14.615 641 HB ILE 101 HB ILE 101 -2.578 -0.384 -15.618 642 HG13 ILE 101 2HG1 ILE 101 -5.062 -0.292 -14.330 643 HG21 ILE 101 1HG2 ILE 101 -2.713 -1.923 -17.371 644 HG22 ILE 101 2HG2 ILE 101 -4.380 -2.351 -16.988 645 HG23 ILE 101 3HG2 ILE 101 -4.014 -0.781 -17.702 646 HD11 ILE 101 3HD1 ILE 101 -5.130 2.024 -14.932 647 HD12 ILE 101 1HD1 ILE 101 -3.464 1.578 -14.567 648 HD13 ILE 101 2HD1 ILE 101 -3.981 1.761 -16.243 649 H SER 102 H SER 102 -0.945 -1.734 -13.995 650 HA SER 102 HA SER 102 -0.095 -4.353 -14.987 651 HB3 SER 102 2HB SER 102 1.992 -2.855 -15.851 652 HG SER 102 HG SER 102 0.552 -2.853 -17.918 653 HA PRO 103 HA PRO 103 1.745 -3.263 -10.878 654 HB3 PRO 103 2HB PRO 103 0.084 -4.400 -9.771 655 HG3 PRO 103 2HG PRO 103 -1.136 -6.074 -10.829 656 HD3 PRO 103 2HD PRO 103 -1.315 -4.398 -12.401 657 H ILE 104 H ILE 104 3.865 -3.509 -10.541 658 HA ILE 104 HA ILE 104 5.269 -5.647 -11.978 659 HB ILE 104 HB ILE 104 6.419 -3.167 -10.696 660 HG13 ILE 104 2HG1 ILE 104 4.889 -3.334 -13.008 661 HG21 ILE 104 1HG2 ILE 104 7.585 -5.515 -12.050 662 HG22 ILE 104 2HG2 ILE 104 8.248 -3.944 -12.499 663 HG23 ILE 104 3HG2 ILE 104 8.269 -4.459 -10.813 664 HD11 ILE 104 3HD1 ILE 104 5.046 -1.136 -12.882 665 HD12 ILE 104 1HD1 ILE 104 6.229 -1.337 -11.589 666 HD13 ILE 104 2HD1 ILE 104 6.767 -1.189 -13.263 667 H SER 105 H SER 105 5.589 -3.933 -8.861 668 HA SER 105 HA SER 105 6.755 -6.356 -7.706 669 HB3 SER 105 2HB SER 105 7.882 -4.102 -7.451 670 HG SER 105 HG SER 105 6.395 -3.375 -5.317 671 H LEU 106 H LEU 106 3.927 -6.218 -8.291 672 HA LEU 106 HA LEU 106 2.901 -6.602 -5.564 673 HB3 LEU 106 2HB LEU 106 0.708 -5.721 -6.349 674 HG LEU 106 HG LEU 106 2.984 -3.749 -6.466 675 HD11 LEU 106 1HD1 LEU 106 0.028 -3.193 -6.268 676 HD12 LEU 106 2HD1 LEU 106 1.023 -2.914 -7.697 677 HD13 LEU 106 3HD1 LEU 106 1.330 -2.003 -6.217 678 HD21 LEU 106 3HD2 LEU 106 0.997 -4.421 -4.297 679 HD22 LEU 106 1HD2 LEU 106 2.256 -3.190 -4.207 680 HD23 LEU 106 2HD2 LEU 106 2.697 -4.894 -4.325 681 HA PRO 107 HA PRO 107 1.434 -10.494 -6.969 682 HB3 PRO 107 2HB PRO 107 0.841 -10.922 -4.791 683 HG3 PRO 107 2HG PRO 107 -0.014 -9.244 -3.427 684 HD3 PRO 107 2HD PRO 107 1.857 -8.176 -4.245 685 H CYS 108 H CYS 108 -1.218 -8.132 -6.592 686 HA CYS 108 HA CYS 108 -2.155 -8.843 -9.273 687 HB3 CYS 108 2HB CYS 108 -4.179 -8.475 -7.093 688 HG CYS 108 HG CYS 108 -5.303 -10.770 -8.881 689 H CYS 109 H CYS 109 -3.412 -7.222 -10.301 690 HA CYS 109 HA CYS 109 -2.552 -4.621 -9.955 691 HB3 CYS 109 2HB CYS 109 -3.611 -5.424 -12.014 692 HG CYS 109 HG CYS 109 -6.250 -5.839 -12.538 693 H LEU 110 H LEU 110 -3.143 -2.923 -8.733 694 HA LEU 110 HA LEU 110 -4.703 -3.316 -6.420 695 HB3 LEU 110 2HB LEU 110 -3.734 -0.788 -7.742 696 HG LEU 110 HG LEU 110 -5.147 -1.135 -5.147 697 HD11 LEU 110 1HD1 LEU 110 -3.317 -0.378 -4.061 698 HD12 LEU 110 2HD1 LEU 110 -3.880 1.177 -4.673 699 HD13 LEU 110 3HD1 LEU 110 -2.598 0.308 -5.519 700 HD21 LEU 110 3HD2 LEU 110 -5.038 1.479 -6.421 701 HD22 LEU 110 1HD2 LEU 110 -6.430 0.510 -5.938 702 HD23 LEU 110 2HD2 LEU 110 -5.648 0.216 -7.491 703 H ARG 111 H ARG 111 -6.683 -2.303 -5.804 704 HA ARG 111 HA ARG 111 -8.452 -1.723 -8.089 705 HB3 ARG 111 2HB ARG 111 -9.681 -2.604 -5.552 706 HG3 ARG 111 2HG ARG 111 -10.957 -2.262 -7.661 707 HD3 ARG 111 2HD ARG 111 -10.044 -4.891 -8.654 708 HE ARG 111 HE ARG 111 -10.370 -2.795 -10.539 709 HH11 ARG 111 1HH1 ARG 111 -12.144 -4.883 -8.392 710 HH12 ARG 111 2HH1 ARG 111 -13.598 -4.831 -9.332 711 HH21 ARG 111 1HH2 ARG 111 -12.278 -2.719 -11.787 712 HH22 ARG 111 2HH2 ARG 111 -13.673 -3.600 -11.264 713 H ILE 112 H ILE 112 -9.166 0.293 -8.168 714 HA ILE 112 HA ILE 112 -8.926 2.009 -5.831 715 HB ILE 112 HB ILE 112 -9.778 2.705 -8.644 716 HG13 ILE 112 2HG1 ILE 112 -7.224 2.046 -7.614 717 HG21 ILE 112 1HG2 ILE 112 -9.429 5.008 -7.995 718 HG22 ILE 112 2HG2 ILE 112 -10.598 4.256 -6.913 719 HG23 ILE 112 3HG2 ILE 112 -8.937 4.508 -6.378 720 HD11 ILE 112 3HD1 ILE 112 -6.835 1.792 -9.770 721 HD12 ILE 112 1HD1 ILE 112 -8.405 2.512 -10.123 722 HD13 ILE 112 2HD1 ILE 112 -6.969 3.531 -10.027 723 HA PRO 113 HA PRO 113 -13.195 1.592 -4.747 724 HB3 PRO 113 2HB PRO 113 -12.540 2.163 -2.620 725 HG3 PRO 113 2HG PRO 113 -10.773 3.631 -2.261 726 HD3 PRO 113 2HD PRO 113 -9.783 2.174 -3.749 727 H SER 114 H SER 114 -11.964 4.866 -5.440 728 HA SER 114 HA SER 114 -14.438 6.041 -6.024 729 HB3 SER 114 2HB SER 114 -13.022 7.786 -5.969 730 HG SER 114 HG SER 114 -11.133 7.117 -5.347 731 H LYS 115 H LYS 115 -12.513 3.848 -7.822 732 HA LYS 115 HA LYS 115 -14.055 4.397 -10.267 733 HB3 LYS 115 2HB LYS 115 -11.932 2.490 -10.653 734 HG3 LYS 115 2HG LYS 115 -12.836 5.022 -11.820 735 HD3 LYS 115 2HD LYS 115 -10.311 4.559 -12.983 736 HE3 LYS 115 2HE LYS 115 -11.397 6.781 -11.262 737 HZ1 LYS 115 3HZ LYS 115 -8.850 6.598 -11.524 738 HZ2 LYS 115 1HZ LYS 115 -9.601 8.086 -11.815 739 HZ3 LYS 115 2HZ LYS 115 -9.131 7.109 -13.112 Start of MODEL 13 1 H1 MET 1 H MET 1 -18.541 6.096 -1.362 2 HA MET 1 HA MET 1 -16.146 4.948 -2.433 3 HB3 MET 1 2HB MET 1 -17.164 5.605 -4.534 4 HG3 MET 1 2HG MET 1 -17.057 8.460 -4.258 5 HE1 MET 1 3HE MET 1 -21.087 7.515 -4.489 6 HE2 MET 1 1HE MET 1 -20.637 5.870 -4.940 7 HE3 MET 1 2HE MET 1 -20.005 6.581 -3.455 8 H ASP 2 H ASP 2 -14.486 5.730 -1.310 9 HA ASP 2 HA ASP 2 -14.896 8.183 0.244 10 HB3 ASP 2 2HB ASP 2 -12.642 7.218 1.299 11 H THR 3 H THR 3 -12.571 9.215 0.742 12 HA THR 3 HA THR 3 -11.382 9.775 -1.895 13 HB THR 3 HB THR 3 -10.650 11.961 -0.797 14 HG1 THR 3 1HG THR 3 -11.374 10.996 1.365 15 HG21 THR 3 3HG2 THR 3 -13.370 11.184 -1.660 16 HG22 THR 3 1HG2 THR 3 -12.284 12.413 -2.307 17 HG23 THR 3 2HG2 THR 3 -13.222 12.745 -0.850 18 H SER 4 H SER 4 -9.094 10.374 -1.899 19 HA SER 4 HA SER 4 -7.484 8.471 -0.649 20 HB3 SER 4 2HB SER 4 -5.822 9.331 -1.925 21 HG SER 4 HG SER 4 -6.624 10.770 -3.572 22 H LYS 5 H LYS 5 -8.652 11.505 0.484 23 HA LYS 5 HA LYS 5 -6.683 12.082 2.420 24 HB3 LYS 5 2HB LYS 5 -8.685 13.323 3.526 25 HG3 LYS 5 2HG LYS 5 -8.725 14.635 1.042 26 HD3 LYS 5 2HD LYS 5 -7.360 14.957 3.668 27 HE3 LYS 5 2HE LYS 5 -6.786 17.274 2.230 28 HZ1 LYS 5 3HZ LYS 5 -4.674 16.909 2.962 29 HZ2 LYS 5 1HZ LYS 5 -4.705 15.250 2.628 30 HZ3 LYS 5 2HZ LYS 5 -5.502 15.853 3.993 31 H PHE 6 H PHE 6 -9.330 9.847 2.354 32 HA PHE 6 HA PHE 6 -9.290 9.410 5.220 33 HB3 PHE 6 2HB PHE 6 -10.739 7.361 3.876 34 HD1 PHE 6 1HD PHE 6 -11.444 10.874 4.932 35 HD2 PHE 6 2HD PHE 6 -12.184 6.725 5.529 36 HE1 PHE 6 1HE PHE 6 -13.012 11.418 6.749 37 HE2 PHE 6 2HE PHE 6 -13.754 7.262 7.346 38 HZ PHE 6 HZ PHE 6 -14.170 9.612 7.957 39 H TRP 7 H TRP 7 -8.078 7.907 2.302 40 HA TRP 7 HA TRP 7 -7.161 5.551 3.733 41 HB3 TRP 7 2HB TRP 7 -6.471 4.710 1.592 42 HD1 TRP 7 HD TRP 7 -9.402 5.032 3.129 43 HE1 TRP 7 1HE TRP 7 -11.504 4.611 1.705 44 HE3 TRP 7 3HE TRP 7 -7.378 5.683 -1.520 45 HZ2 TRP 7 2HZ TRP 7 -12.211 4.561 -1.028 46 HZ3 TRP 7 3HZ TRP 7 -8.834 5.431 -3.487 47 HH2 TRP 7 HH TRP 7 -11.201 4.881 -3.244 48 H TYR 8 H TYR 8 -6.064 8.649 3.306 49 HA TYR 8 HA TYR 8 -3.238 7.836 3.436 50 HB3 TYR 8 2HB TYR 8 -4.502 10.454 2.611 51 HD1 TYR 8 2HD TYR 8 -3.293 11.905 4.165 52 HD2 TYR 8 1HD TYR 8 -1.218 9.244 1.572 53 HE1 TYR 8 2HE TYR 8 -1.202 13.126 4.595 54 HE2 TYR 8 1HE TYR 8 0.879 10.456 1.997 55 HH TYR 8 HH TYR 8 1.005 13.480 3.389 56 H LYS 9 H LYS 9 -2.560 7.690 5.468 57 HA LYS 9 HA LYS 9 -3.089 9.929 7.282 58 HB3 LYS 9 2HB LYS 9 -3.357 8.206 9.148 59 HG3 LYS 9 2HG LYS 9 -5.458 8.530 7.029 60 HD3 LYS 9 2HD LYS 9 -5.582 7.067 9.653 61 HE3 LYS 9 2HE LYS 9 -7.959 8.020 8.068 62 HZ1 LYS 9 3HZ LYS 9 -7.712 6.813 10.770 63 HZ2 LYS 9 1HZ LYS 9 -8.339 6.053 9.394 64 HZ3 LYS 9 2HZ LYS 9 -9.151 7.370 10.077 65 HA PRO 10 HA PRO 10 1.351 9.307 7.503 66 HB3 PRO 10 2HB PRO 10 1.552 11.565 7.126 67 HG3 PRO 10 2HG PRO 10 -0.118 13.044 7.781 68 HD3 PRO 10 2HD PRO 10 -1.388 11.486 6.653 69 H HIS 11 H HIS 11 -0.762 10.179 10.204 70 HA HIS 11 HA HIS 11 1.138 9.289 12.186 71 HB3 HIS 11 2HB HIS 11 -1.705 9.679 12.935 72 HD1 HIS 11 1HD HIS 11 1.300 11.859 13.644 73 HD2 HIS 11 2HD HIS 11 -1.124 9.071 15.544 74 HE1 HIS 11 1HE HIS 11 1.987 11.909 16.063 75 H LEU 12 H LEU 12 -1.416 7.911 10.338 76 HA LEU 12 HA LEU 12 -2.348 5.866 11.938 77 HB3 LEU 12 2HB LEU 12 -1.872 6.056 8.986 78 HG LEU 12 HG LEU 12 -2.451 3.591 10.386 79 HD11 LEU 12 1HD1 LEU 12 -4.420 2.902 9.315 80 HD12 LEU 12 2HD1 LEU 12 -4.420 4.293 8.231 81 HD13 LEU 12 3HD1 LEU 12 -4.785 4.510 9.942 82 HD21 LEU 12 3HD2 LEU 12 -0.867 3.477 8.698 83 HD22 LEU 12 1HD2 LEU 12 -1.820 4.474 7.597 84 HD23 LEU 12 2HD2 LEU 12 -2.305 2.810 7.924 85 H SER 13 H SER 13 -1.476 4.119 12.834 86 HA SER 13 HA SER 13 1.301 3.489 12.302 87 HB3 SER 13 2HB SER 13 1.135 3.173 14.532 88 HG SER 13 HG SER 13 -1.065 2.517 15.402 89 H ARG 14 H ARG 14 1.899 1.099 12.218 90 HA ARG 14 HA ARG 14 0.991 -0.024 9.854 91 HB3 ARG 14 2HB ARG 14 2.116 -1.660 12.118 92 HG3 ARG 14 2HG ARG 14 3.499 -2.407 9.962 93 HD3 ARG 14 2HD ARG 14 0.786 -3.598 10.184 94 HE ARG 14 HE ARG 14 2.097 -5.211 9.241 95 HH11 ARG 14 1HH1 ARG 14 3.861 -3.709 11.840 96 HH12 ARG 14 2HH1 ARG 14 5.189 -4.818 11.753 97 HH21 ARG 14 1HH2 ARG 14 3.840 -6.677 9.118 98 HH22 ARG 14 2HH2 ARG 14 5.177 -6.506 10.205 99 H ASP 15 H ASP 15 0.138 -0.948 13.185 100 HA ASP 15 HA ASP 15 -1.613 -3.017 12.611 101 HB3 ASP 15 2HB ASP 15 -2.555 -1.381 14.827 102 H GLN 16 H GLN 16 -2.255 0.461 12.800 103 HA GLN 16 HA GLN 16 -5.040 0.325 12.447 104 HB3 GLN 16 2HB GLN 16 -4.654 2.721 11.500 105 HG3 GLN 16 2HG GLN 16 -3.639 3.316 13.941 106 HE21 GLN 16 1HE2 GLN 16 -6.573 1.406 13.790 107 HE22 GLN 16 2HE2 GLN 16 -7.671 2.738 13.857 108 H ALA 17 H ALA 17 -2.377 0.453 10.143 109 HA ALA 17 HA ALA 17 -3.930 0.854 7.820 110 HB1 ALA 17 1HB ALA 17 -1.638 -0.646 7.132 111 HB2 ALA 17 2HB ALA 17 -1.893 1.093 6.978 112 HB3 ALA 17 3HB ALA 17 -1.183 0.433 8.452 113 H ILE 18 H ILE 18 -2.819 -2.070 9.471 114 HA ILE 18 HA ILE 18 -3.724 -3.910 7.529 115 HB ILE 18 HB ILE 18 -3.399 -4.375 10.495 116 HG13 ILE 18 2HG1 ILE 18 -1.150 -5.286 9.788 117 HG21 ILE 18 1HG2 ILE 18 -2.753 -6.697 9.189 118 HG22 ILE 18 2HG2 ILE 18 -4.292 -6.358 9.979 119 HG23 ILE 18 3HG2 ILE 18 -4.112 -6.088 8.245 120 HD11 ILE 18 3HD1 ILE 18 -0.152 -4.503 7.748 121 HD12 ILE 18 1HD1 ILE 18 -1.583 -5.461 7.372 122 HD13 ILE 18 2HD1 ILE 18 -1.652 -3.701 7.281 123 H ALA 19 H ALA 19 -5.235 -2.565 10.434 124 HA ALA 19 HA ALA 19 -7.586 -4.139 10.320 125 HB1 ALA 19 1HB ALA 19 -8.318 -2.927 12.114 126 HB2 ALA 19 2HB ALA 19 -6.585 -2.613 12.222 127 HB3 ALA 19 3HB ALA 19 -7.657 -1.410 11.503 128 H LEU 20 H LEU 20 -6.702 -1.020 8.938 129 HA LEU 20 HA LEU 20 -9.319 -0.391 7.992 130 HB3 LEU 20 2HB LEU 20 -6.940 0.732 6.632 131 HG LEU 20 HG LEU 20 -9.390 1.635 6.515 132 HD11 LEU 20 1HD1 LEU 20 -9.810 1.801 8.874 133 HD12 LEU 20 2HD1 LEU 20 -9.769 3.424 8.186 134 HD13 LEU 20 3HD1 LEU 20 -8.387 2.818 9.099 135 HD21 LEU 20 3HD2 LEU 20 -6.801 3.081 6.667 136 HD22 LEU 20 1HD2 LEU 20 -8.282 4.037 6.596 137 HD23 LEU 20 2HD2 LEU 20 -7.913 2.886 5.311 138 H LEU 21 H LEU 21 -6.591 -2.156 6.716 139 HA LEU 21 HA LEU 21 -7.532 -2.224 4.014 140 HB3 LEU 21 2HB LEU 21 -5.840 -4.176 3.910 141 HG LEU 21 HG LEU 21 -4.835 -1.433 4.666 142 HD11 LEU 21 1HD1 LEU 21 -3.440 -3.915 4.215 143 HD12 LEU 21 2HD1 LEU 21 -2.814 -2.347 4.724 144 HD13 LEU 21 3HD1 LEU 21 -2.999 -2.706 3.008 145 HD21 LEU 21 3HD2 LEU 21 -6.281 -2.222 2.453 146 HD22 LEU 21 1HD2 LEU 21 -4.608 -2.293 1.900 147 HD23 LEU 21 2HD2 LEU 21 -5.251 -0.794 2.571 148 H LYS 22 H LYS 22 -7.717 -4.388 6.797 149 HA LYS 22 HA LYS 22 -9.014 -6.497 5.359 150 HB3 LYS 22 2HB LYS 22 -7.637 -6.764 7.467 151 HG3 LYS 22 2HG LYS 22 -10.175 -5.803 8.773 152 HD3 LYS 22 2HD LYS 22 -7.669 -6.765 10.129 153 HE3 LYS 22 2HE LYS 22 -9.512 -5.250 11.200 154 HZ1 LYS 22 3HZ LYS 22 -11.490 -6.320 10.852 155 HZ2 LYS 22 1HZ LYS 22 -11.081 -6.934 12.374 156 HZ3 LYS 22 2HZ LYS 22 -10.824 -7.868 10.988 157 H ASP 23 H ASP 23 -10.045 -3.516 6.485 158 HA ASP 23 HA ASP 23 -12.836 -4.426 6.703 159 HB3 ASP 23 2HB ASP 23 -11.754 -1.757 7.607 160 H LYS 24 H LYS 24 -10.781 -3.244 4.488 161 HA LYS 24 HA LYS 24 -12.815 -1.545 3.203 162 HB3 LYS 24 2HB LYS 24 -10.744 -0.847 1.777 163 HG3 LYS 24 2HG LYS 24 -9.992 0.793 3.517 164 HD3 LYS 24 2HD LYS 24 -12.327 1.808 3.793 165 HE3 LYS 24 2HE LYS 24 -11.389 1.023 1.034 166 HZ1 LYS 24 3HZ LYS 24 -13.641 1.999 1.118 167 HZ2 LYS 24 1HZ LYS 24 -12.530 2.968 0.288 168 HZ3 LYS 24 2HZ LYS 24 -12.997 3.375 1.861 169 H ASP 25 H ASP 25 -12.485 -4.537 3.195 170 HA ASP 25 HA ASP 25 -12.830 -6.234 1.719 171 HB3 ASP 25 2HB ASP 25 -13.058 -5.033 -0.802 172 HA PRO 26 HA PRO 26 -8.970 -7.211 -0.116 173 HB3 PRO 26 2HB PRO 26 -9.754 -9.350 -0.419 174 HG3 PRO 26 2HG PRO 26 -11.957 -9.741 -1.051 175 HD3 PRO 26 2HD PRO 26 -12.301 -8.299 0.713 176 H GLY 27 H GLY 27 -7.704 -5.946 -1.317 177 HA2 GLY 27 2HA GLY 27 -7.036 -5.388 -3.618 178 HA3 GLY 27 3HA GLY 27 -8.728 -5.035 -3.935 179 H ALA 28 H ALA 28 -8.651 -3.823 -1.060 180 HA ALA 28 HA ALA 28 -8.207 -1.130 -1.965 181 HB1 ALA 28 1HB ALA 28 -9.422 -2.430 0.362 182 HB2 ALA 28 2HB ALA 28 -8.608 -0.905 0.719 183 HB3 ALA 28 3HB ALA 28 -9.889 -0.959 -0.493 184 H PHE 29 H PHE 29 -6.718 0.365 -1.112 185 HA PHE 29 HA PHE 29 -4.487 -0.751 0.432 186 HB3 PHE 29 2HB PHE 29 -4.028 -0.702 -2.088 187 HD1 PHE 29 2HD PHE 29 -5.992 1.023 -2.794 188 HD2 PHE 29 1HD PHE 29 -1.991 2.055 -1.772 189 HE1 PHE 29 2HE PHE 29 -6.205 3.112 -4.077 190 HE2 PHE 29 1HE PHE 29 -2.199 4.146 -3.052 191 HZ PHE 29 HZ PHE 29 -4.308 4.676 -4.208 192 H LEU 30 H LEU 30 -2.974 1.055 1.160 193 HA LEU 30 HA LEU 30 -4.213 3.659 1.445 194 HB3 LEU 30 2HB LEU 30 -5.111 2.130 3.271 195 HG LEU 30 HG LEU 30 -2.542 1.423 3.810 196 HD11 LEU 30 1HD1 LEU 30 -2.453 3.920 4.707 197 HD12 LEU 30 2HD1 LEU 30 -1.591 2.602 5.501 198 HD13 LEU 30 3HD1 LEU 30 -3.140 3.153 6.139 199 HD21 LEU 30 3HD2 LEU 30 -3.437 0.228 5.568 200 HD22 LEU 30 1HD2 LEU 30 -4.871 0.565 4.599 201 HD23 LEU 30 2HD2 LEU 30 -4.532 1.529 6.037 202 H ILE 31 H ILE 31 -2.772 5.198 2.591 203 HA ILE 31 HA ILE 31 0.057 4.406 2.364 204 HB ILE 31 HB ILE 31 -1.104 7.100 1.646 205 HG13 ILE 31 2HG1 ILE 31 -1.590 5.210 0.043 206 HG21 ILE 31 1HG2 ILE 31 1.367 7.130 0.617 207 HG22 ILE 31 2HG2 ILE 31 0.994 7.708 2.240 208 HG23 ILE 31 3HG2 ILE 31 1.649 6.087 2.010 209 HD11 ILE 31 3HD1 ILE 31 -0.213 6.425 -1.910 210 HD12 ILE 31 1HD1 ILE 31 -1.712 7.057 -1.230 211 HD13 ILE 31 2HD1 ILE 31 -0.159 7.678 -0.670 212 H ARG 32 H ARG 32 1.438 5.093 3.942 213 HA ARG 32 HA ARG 32 0.449 6.943 5.979 214 HB3 ARG 32 2HB ARG 32 -0.057 4.553 6.656 215 HG3 ARG 32 2HG ARG 32 2.722 4.212 7.561 216 HD3 ARG 32 2HD ARG 32 0.721 2.298 6.369 217 HE ARG 32 HE ARG 32 2.553 0.942 6.553 218 HH11 ARG 32 1HH1 ARG 32 2.406 3.029 9.335 219 HH12 ARG 32 2HH1 ARG 32 3.699 2.231 10.164 220 HH21 ARG 32 1HH2 ARG 32 4.258 -0.117 7.635 221 HH22 ARG 32 2HH2 ARG 32 4.753 0.442 9.197 222 H ASP 33 H ASP 33 2.208 7.570 7.520 223 HA ASP 33 HA ASP 33 4.487 8.421 6.085 224 HB3 ASP 33 2HB ASP 33 4.269 8.322 9.093 225 H SER 34 H SER 34 6.224 7.294 5.549 226 HA SER 34 HA SER 34 6.753 4.726 6.749 227 HB3 SER 34 2HB SER 34 8.480 6.169 4.734 228 HG SER 34 HG SER 34 8.983 4.025 5.859 229 H HIS 35 H HIS 35 7.634 4.744 8.724 230 HA HIS 35 HA HIS 35 9.402 6.783 9.645 231 HB3 HIS 35 2HB HIS 35 9.529 4.296 11.154 232 HD1 HIS 35 1HD HIS 35 6.981 6.074 12.735 233 HD2 HIS 35 2HD HIS 35 11.015 6.852 12.113 234 HE1 HIS 35 1HE HIS 35 7.616 7.771 14.481 235 H SER 36 H SER 36 9.851 4.079 7.693 236 HA SER 36 HA SER 36 12.293 3.027 8.442 237 HB3 SER 36 2HB SER 36 12.610 2.654 5.914 238 HG SER 36 HG SER 36 10.079 1.737 6.547 239 H PHE 37 H PHE 37 12.031 5.319 5.734 240 HA PHE 37 HA PHE 37 14.320 6.804 6.801 241 HB3 PHE 37 2HB PHE 37 14.984 6.834 4.193 242 HD1 PHE 37 2HD PHE 37 16.646 7.291 6.259 243 HD2 PHE 37 1HD PHE 37 15.612 3.471 4.690 244 HE1 PHE 37 2HE PHE 37 18.727 6.354 7.179 245 HE2 PHE 37 1HE PHE 37 17.690 2.528 5.609 246 HZ PHE 37 HZ PHE 37 19.251 3.970 6.854 247 H GLN 38 H GLN 38 14.618 8.909 5.775 248 HA GLN 38 HA GLN 38 12.180 10.303 5.508 249 HB3 GLN 38 2HB GLN 38 13.563 12.249 4.976 250 HG3 GLN 38 2HG GLN 38 15.221 10.783 6.970 251 HE21 GLN 38 1HE2 GLN 38 13.210 13.036 8.305 252 HE22 GLN 38 2HE2 GLN 38 14.252 14.413 8.251 253 H GLY 39 H GLY 39 11.175 11.225 3.728 254 HA2 GLY 39 2HA GLY 39 10.621 11.540 1.510 255 HA3 GLY 39 3HA GLY 39 12.233 10.989 1.079 256 H ALA 40 H ALA 40 10.124 9.045 3.056 257 HA ALA 40 HA ALA 40 9.593 7.295 0.747 258 HB1 ALA 40 1HB ALA 40 10.604 5.542 1.678 259 HB2 ALA 40 2HB ALA 40 11.342 6.690 2.795 260 HB3 ALA 40 3HB ALA 40 9.861 5.846 3.249 261 H TYR 41 H TYR 41 7.706 5.970 0.918 262 HA TYR 41 HA TYR 41 5.793 6.802 2.991 263 HB3 TYR 41 2HB TYR 41 4.063 6.549 1.026 264 HD1 TYR 41 1HD TYR 41 3.203 8.260 2.558 265 HD2 TYR 41 2HD TYR 41 6.477 9.066 -0.037 266 HE1 TYR 41 1HE TYR 41 2.907 10.670 2.944 267 HE2 TYR 41 2HE TYR 41 6.191 11.479 0.344 268 HH TYR 41 HH TYR 41 4.113 12.995 1.059 269 H GLY 42 H GLY 42 4.684 5.179 3.907 270 HA2 GLY 42 2HA GLY 42 5.272 2.470 3.041 271 HA3 GLY 42 3HA GLY 42 4.434 2.938 4.513 272 H LEU 43 H LEU 43 4.082 1.576 1.491 273 HA LEU 43 HA LEU 43 1.232 2.259 1.316 274 HB3 LEU 43 2HB LEU 43 3.211 1.140 -0.639 275 HG LEU 43 HG LEU 43 0.439 0.461 -0.666 276 HD11 LEU 43 1HD1 LEU 43 -0.220 1.319 -2.830 277 HD12 LEU 43 2HD1 LEU 43 1.296 2.209 -2.968 278 HD13 LEU 43 3HD1 LEU 43 0.122 2.656 -1.731 279 HD21 LEU 43 3HD2 LEU 43 2.170 -1.047 -1.350 280 HD22 LEU 43 1HD2 LEU 43 2.712 0.068 -2.605 281 HD23 LEU 43 2HD2 LEU 43 1.139 -0.719 -2.744 282 H ALA 44 H ALA 44 -0.291 0.828 1.841 283 HA ALA 44 HA ALA 44 0.513 -1.985 2.206 284 HB1 ALA 44 1HB ALA 44 -0.664 -2.152 4.170 285 HB2 ALA 44 2HB ALA 44 -0.086 -0.488 4.268 286 HB3 ALA 44 3HB ALA 44 -1.744 -0.818 3.765 287 H LEU 45 H LEU 45 -0.781 -3.552 1.368 288 HA LEU 45 HA LEU 45 -3.331 -2.747 0.158 289 HB3 LEU 45 2HB LEU 45 -1.082 -4.230 -1.179 290 HG LEU 45 HG LEU 45 -3.127 -5.412 -1.809 291 HD11 LEU 45 1HD1 LEU 45 -4.198 -2.730 -1.852 292 HD12 LEU 45 2HD1 LEU 45 -5.037 -4.281 -1.829 293 HD13 LEU 45 3HD1 LEU 45 -4.523 -3.580 -3.363 294 HD21 LEU 45 3HD2 LEU 45 -3.051 -4.604 -4.329 295 HD22 LEU 45 1HD2 LEU 45 -1.712 -5.486 -3.595 296 HD23 LEU 45 2HD2 LEU 45 -1.632 -3.731 -3.749 297 H LYS 46 H LYS 46 -4.938 -4.250 0.258 298 HA LYS 46 HA LYS 46 -4.352 -6.654 1.828 299 HB3 LYS 46 2HB LYS 46 -7.163 -6.073 1.228 300 HG3 LYS 46 2HG LYS 46 -7.381 -6.198 3.685 301 HD3 LYS 46 2HD LYS 46 -5.759 -8.572 3.259 302 HE3 LYS 46 2HE LYS 46 -8.752 -8.223 3.363 303 HZ1 LYS 46 3HZ LYS 46 -8.093 -10.509 4.630 304 HZ2 LYS 46 1HZ LYS 46 -6.979 -10.493 3.358 305 HZ3 LYS 46 2HZ LYS 46 -8.637 -10.414 3.031 306 H VAL 47 H VAL 47 -4.647 -8.677 1.065 307 HA VAL 47 HA VAL 47 -5.913 -9.008 -1.567 308 HB VAL 47 HB VAL 47 -4.122 -10.764 -2.047 309 HG11 VAL 47 1HG1 VAL 47 -2.784 -9.214 -3.182 310 HG12 VAL 47 2HG1 VAL 47 -4.351 -8.415 -3.037 311 HG13 VAL 47 3HG1 VAL 47 -3.028 -7.970 -1.956 312 HG21 VAL 47 3HG2 VAL 47 -2.045 -10.644 -0.924 313 HG22 VAL 47 1HG2 VAL 47 -2.509 -9.174 -0.067 314 HG23 VAL 47 2HG2 VAL 47 -3.274 -10.710 0.338 315 H ALA 48 H ALA 48 -6.501 -11.270 -2.034 316 HA ALA 48 HA ALA 48 -7.060 -12.782 0.436 317 HB1 ALA 48 1HB ALA 48 -8.822 -12.369 -1.971 318 HB2 ALA 48 2HB ALA 48 -9.135 -13.579 -0.725 319 HB3 ALA 48 3HB ALA 48 -9.126 -11.864 -0.308 320 H THR 49 H THR 49 -4.768 -13.085 -1.288 321 HA THR 49 HA THR 49 -5.310 -15.700 -2.527 322 HB THR 49 HB THR 49 -3.271 -15.390 -3.829 323 HG1 THR 49 1HG THR 49 -1.983 -13.632 -3.561 324 HG21 THR 49 3HG2 THR 49 -4.115 -13.861 -5.363 325 HG22 THR 49 1HG2 THR 49 -4.758 -12.803 -4.107 326 HG23 THR 49 2HG2 THR 49 -5.557 -14.334 -4.463 327 HA PRO 50 HA PRO 50 -3.002 -16.865 1.249 328 HB3 PRO 50 2HB PRO 50 -4.901 -17.871 2.060 329 HG3 PRO 50 2HG PRO 50 -6.571 -18.618 0.624 330 HD3 PRO 50 2HD PRO 50 -6.285 -16.477 -0.180 331 HA PRO 51 HA PRO 51 0.165 -19.338 -0.538 332 HB3 PRO 51 2HB PRO 51 1.245 -19.266 1.489 333 HG3 PRO 51 2HG PRO 51 0.061 -19.402 3.485 334 HD3 PRO 51 2HD PRO 51 -1.147 -17.754 2.419 335 HA PRO 52 HA PRO 52 -1.276 -23.192 -2.090 336 HB3 PRO 52 2HB PRO 52 0.643 -23.305 -3.348 337 HG3 PRO 52 2HG PRO 52 2.686 -22.604 -2.485 338 HD3 PRO 52 2HD PRO 52 1.388 -20.771 -1.970 339 H SER 53 H SER 53 1.109 -23.722 0.512 340 HA SER 53 HA SER 53 -0.747 -25.283 2.038 341 HB3 SER 53 2HB SER 53 -0.188 -27.069 0.568 342 HG SER 53 HG SER 53 2.128 -27.579 0.304 343 H ALA 54 H ALA 54 -0.315 -24.037 3.794 344 HA ALA 54 HA ALA 54 2.428 -24.182 4.859 345 HB1 ALA 54 1HB ALA 54 0.547 -21.844 5.160 346 HB2 ALA 54 2HB ALA 54 2.199 -21.956 5.770 347 HB3 ALA 54 3HB ALA 54 1.901 -21.916 4.031 348 H GLN 55 H GLN 55 0.099 -25.905 5.339 349 HA GLN 55 HA GLN 55 -1.045 -26.880 7.050 350 HB3 GLN 55 2HB GLN 55 0.921 -25.708 8.982 351 HG3 GLN 55 2HG GLN 55 -0.232 -28.464 8.627 352 HE21 GLN 55 1HE2 GLN 55 2.260 -28.814 8.513 353 HE22 GLN 55 2HE2 GLN 55 3.010 -29.149 10.033 354 HA PRO 56 HA PRO 56 -3.020 -22.826 8.223 355 HB3 PRO 56 2HB PRO 56 -4.157 -22.690 6.231 356 HG3 PRO 56 2HG PRO 56 -4.564 -24.588 4.950 357 HD3 PRO 56 2HD PRO 56 -2.303 -24.840 5.324 358 H TRP 57 H TRP 57 -4.166 -22.535 10.065 359 HA TRP 57 HA TRP 57 -5.380 -24.925 11.292 360 HB3 TRP 57 2HB TRP 57 -3.948 -22.611 12.611 361 HD1 TRP 57 HD TRP 57 -5.626 -25.974 13.637 362 HE1 TRP 57 1HE TRP 57 -6.581 -25.678 16.009 363 HE3 TRP 57 3HE TRP 57 -4.180 -21.147 14.499 364 HZ2 TRP 57 2HZ TRP 57 -6.706 -23.665 17.983 365 HZ3 TRP 57 3HZ TRP 57 -4.757 -20.109 16.654 366 HH2 TRP 57 HH TRP 57 -5.994 -21.344 18.359 367 H LYS 58 H LYS 58 -7.418 -24.430 10.372 368 HA LYS 58 HA LYS 58 -9.524 -23.571 10.391 369 HB3 LYS 58 2HB LYS 58 -9.207 -21.905 12.783 370 HG3 LYS 58 2HG LYS 58 -10.808 -24.367 12.885 371 HD3 LYS 58 2HD LYS 58 -11.431 -21.450 13.359 372 HE3 LYS 58 2HE LYS 58 -12.995 -23.519 14.718 373 HZ1 LYS 58 3HZ LYS 58 -13.283 -20.911 14.323 374 HZ2 LYS 58 1HZ LYS 58 -14.582 -21.944 14.646 375 HZ3 LYS 58 2HZ LYS 58 -14.239 -21.490 13.054 376 H GLY 59 H GLY 59 -7.393 -22.128 9.060 377 HA2 GLY 59 2HA GLY 59 -7.948 -20.197 7.675 378 HA3 GLY 59 3HA GLY 59 -8.600 -19.433 9.117 379 H ASP 60 H ASP 60 -7.324 -17.617 9.052 380 HA ASP 60 HA ASP 60 -4.810 -17.747 10.294 381 HB3 ASP 60 2HB ASP 60 -3.676 -18.445 8.418 382 HA PRO 61 HA PRO 61 -5.663 -13.501 10.982 383 HB3 PRO 61 2HB PRO 61 -3.877 -13.476 12.427 384 HG3 PRO 61 2HG PRO 61 -1.932 -14.660 11.953 385 HD3 PRO 61 2HD PRO 61 -3.499 -16.314 11.603 386 H VAL 62 H VAL 62 -5.801 -11.477 10.001 387 HA VAL 62 HA VAL 62 -5.616 -11.419 7.185 388 HB VAL 62 HB VAL 62 -6.202 -9.039 7.361 389 HG11 VAL 62 1HG1 VAL 62 -8.344 -9.321 8.539 390 HG12 VAL 62 2HG1 VAL 62 -7.977 -10.688 7.485 391 HG13 VAL 62 3HG1 VAL 62 -7.751 -10.832 9.228 392 HG21 VAL 62 3HG2 VAL 62 -6.703 -8.679 10.081 393 HG22 VAL 62 1HG2 VAL 62 -5.078 -9.361 9.997 394 HG23 VAL 62 2HG2 VAL 62 -5.461 -7.884 9.114 395 H GLU 63 H GLU 63 -3.385 -10.589 9.693 396 HA GLU 63 HA GLU 63 -1.747 -8.734 8.449 397 HB3 GLU 63 2HB GLU 63 0.108 -9.935 9.832 398 HG3 GLU 63 2HG GLU 63 -2.322 -8.861 11.246 399 H GLN 64 H GLN 64 -1.923 -12.213 8.020 400 HA GLN 64 HA GLN 64 0.445 -12.385 6.417 401 HB3 GLN 64 2HB GLN 64 -1.738 -14.433 6.329 402 HG3 GLN 64 2HG GLN 64 1.237 -14.753 6.635 403 HE21 GLN 64 1HE2 GLN 64 0.328 -16.789 4.390 404 HE22 GLN 64 2HE2 GLN 64 -0.085 -18.180 5.327 405 H LEU 65 H LEU 65 -2.895 -11.691 5.841 406 HA LEU 65 HA LEU 65 -2.603 -12.066 2.958 407 HB3 LEU 65 2HB LEU 65 -5.079 -11.196 3.117 408 HG LEU 65 HG LEU 65 -4.312 -13.954 4.070 409 HD11 LEU 65 1HD1 LEU 65 -6.992 -13.242 2.960 410 HD12 LEU 65 2HD1 LEU 65 -6.659 -13.021 4.677 411 HD13 LEU 65 3HD1 LEU 65 -6.515 -14.621 3.951 412 HD21 LEU 65 3HD2 LEU 65 -4.293 -12.675 1.514 413 HD22 LEU 65 1HD2 LEU 65 -5.520 -13.942 1.524 414 HD23 LEU 65 2HD2 LEU 65 -3.849 -14.330 1.933 415 H VAL 66 H VAL 66 -1.289 -9.900 4.598 416 HA VAL 66 HA VAL 66 -2.236 -7.639 2.969 417 HB VAL 66 HB VAL 66 -1.316 -7.485 5.843 418 HG11 VAL 66 1HG1 VAL 66 -1.818 -5.420 3.753 419 HG12 VAL 66 2HG1 VAL 66 -2.214 -5.054 5.433 420 HG13 VAL 66 3HG1 VAL 66 -0.564 -5.491 4.990 421 HG21 VAL 66 3HG2 VAL 66 -3.836 -8.087 4.815 422 HG22 VAL 66 1HG2 VAL 66 -3.452 -7.584 6.461 423 HG23 VAL 66 2HG2 VAL 66 -3.921 -6.383 5.260 424 H ARG 67 H ARG 67 -0.702 -6.729 1.767 425 HA ARG 67 HA ARG 67 2.107 -7.333 2.414 426 HB3 ARG 67 2HB ARG 67 2.359 -6.640 -0.109 427 HG3 ARG 67 2HG ARG 67 1.892 -8.939 -0.862 428 HD3 ARG 67 2HD ARG 67 3.632 -8.156 1.296 429 HE ARG 67 HE ARG 67 2.408 -10.731 1.659 430 HH11 ARG 67 1HH1 ARG 67 5.309 -8.853 2.080 431 HH12 ARG 67 2HH1 ARG 67 5.915 -9.840 3.369 432 HH21 ARG 67 1HH2 ARG 67 3.196 -12.037 3.354 433 HH22 ARG 67 2HH2 ARG 67 4.713 -11.651 4.092 434 H HIS 68 H HIS 68 3.307 -5.696 3.098 435 HA HIS 68 HA HIS 68 2.534 -2.961 2.317 436 HB3 HIS 68 2HB HIS 68 2.075 -3.213 4.659 437 HD1 HIS 68 1HD HIS 68 5.784 -3.348 5.216 438 HD2 HIS 68 2HD HIS 68 2.407 -5.659 5.935 439 HE1 HIS 68 1HE HIS 68 6.539 -5.177 6.767 440 H PHE 69 H PHE 69 4.011 -1.863 1.213 441 HA PHE 69 HA PHE 69 6.838 -2.636 1.482 442 HB3 PHE 69 2HB PHE 69 6.979 -1.973 -1.018 443 HD1 PHE 69 2HD PHE 69 4.378 -4.476 -0.110 444 HD2 PHE 69 1HD PHE 69 8.364 -3.773 -1.427 445 HE1 PHE 69 2HE PHE 69 4.691 -6.893 -0.442 446 HE2 PHE 69 1HE PHE 69 8.683 -6.190 -1.763 447 HZ PHE 69 HZ PHE 69 6.845 -7.753 -1.269 448 H LEU 70 H LEU 70 8.363 -0.975 1.200 449 HA LEU 70 HA LEU 70 7.270 1.699 1.677 450 HB3 LEU 70 2HB LEU 70 8.793 1.123 3.354 451 HG LEU 70 HG LEU 70 10.215 -0.384 1.357 452 HD11 LEU 70 1HD1 LEU 70 11.880 1.486 3.037 453 HD12 LEU 70 2HD1 LEU 70 11.724 1.526 1.281 454 HD13 LEU 70 3HD1 LEU 70 12.492 0.145 2.066 455 HD21 LEU 70 3HD2 LEU 70 10.937 -1.625 3.218 456 HD22 LEU 70 1HD2 LEU 70 9.321 -1.058 3.641 457 HD23 LEU 70 2HD2 LEU 70 10.741 -0.256 4.314 458 H ILE 71 H ILE 71 7.266 3.173 0.121 459 HA ILE 71 HA ILE 71 8.862 2.690 -2.289 460 HB ILE 71 HB ILE 71 6.693 4.755 -1.960 461 HG13 ILE 71 2HG1 ILE 71 6.510 1.832 -2.290 462 HG21 ILE 71 1HG2 ILE 71 6.752 5.000 -4.251 463 HG22 ILE 71 2HG2 ILE 71 8.453 4.727 -3.878 464 HG23 ILE 71 3HG2 ILE 71 7.467 3.409 -4.510 465 HD11 ILE 71 3HD1 ILE 71 5.019 2.175 -0.697 466 HD12 ILE 71 1HD1 ILE 71 5.092 3.920 -0.931 467 HD13 ILE 71 2HD1 ILE 71 3.984 2.946 -1.899 468 H GLU 72 H GLU 72 10.437 4.040 -2.962 469 HA GLU 72 HA GLU 72 10.947 6.437 -1.324 470 HB3 GLU 72 2HB GLU 72 13.377 5.866 -2.418 471 HG3 GLU 72 2HG GLU 72 12.260 4.828 0.175 472 H THR 73 H THR 73 11.153 8.338 -2.341 473 HA THR 73 HA THR 73 11.156 8.309 -5.288 474 HB THR 73 HB THR 73 9.106 9.268 -4.575 475 HG1 THR 73 1HG THR 73 9.518 10.744 -6.031 476 HG21 THR 73 3HG2 THR 73 8.973 11.113 -2.962 477 HG22 THR 73 1HG2 THR 73 10.716 11.016 -2.709 478 HG23 THR 73 2HG2 THR 73 9.680 9.670 -2.235 479 H GLY 74 H GLY 74 12.868 9.149 -6.286 480 HA2 GLY 74 2HA GLY 74 14.555 11.055 -4.783 481 HA3 GLY 74 3HA GLY 74 15.245 9.763 -5.754 482 HA PRO 75 HA PRO 75 15.101 13.596 -8.352 483 HB3 PRO 75 2HB PRO 75 17.263 14.137 -7.793 484 HG3 PRO 75 2HG PRO 75 18.748 12.517 -7.037 485 HD3 PRO 75 2HD PRO 75 16.952 12.082 -5.660 486 H LYS 76 H LYS 76 15.383 10.263 -8.801 487 HA LYS 76 HA LYS 76 15.333 10.507 -11.731 488 HB3 LYS 76 2HB LYS 76 15.424 7.807 -10.576 489 HG3 LYS 76 2HG LYS 76 17.434 9.088 -12.396 490 HD3 LYS 76 2HD LYS 76 17.130 6.519 -11.300 491 HE3 LYS 76 2HE LYS 76 16.114 6.736 -14.088 492 HZ1 LYS 76 3HZ LYS 76 17.238 5.009 -14.886 493 HZ2 LYS 76 1HZ LYS 76 17.068 4.115 -13.460 494 HZ3 LYS 76 2HZ LYS 76 18.332 5.228 -13.615 495 H GLY 77 H GLY 77 13.238 10.404 -9.222 496 HA2 GLY 77 2HA GLY 77 10.862 10.420 -9.984 497 HA3 GLY 77 3HA GLY 77 11.230 8.900 -10.785 498 H VAL 78 H VAL 78 9.957 7.480 -9.740 499 HA VAL 78 HA VAL 78 10.393 7.191 -6.843 500 HB VAL 78 HB VAL 78 8.155 8.211 -7.353 501 HG11 VAL 78 1HG1 VAL 78 7.743 6.986 -9.448 502 HG12 VAL 78 2HG1 VAL 78 7.559 5.495 -8.522 503 HG13 VAL 78 3HG1 VAL 78 6.414 6.818 -8.301 504 HG21 VAL 78 3HG2 VAL 78 8.728 6.792 -5.326 505 HG22 VAL 78 1HG2 VAL 78 7.016 6.957 -5.716 506 HG23 VAL 78 2HG2 VAL 78 7.876 5.476 -6.136 507 H LYS 79 H LYS 79 10.499 5.110 -6.059 508 HA LYS 79 HA LYS 79 10.071 2.890 -7.910 509 HB3 LYS 79 2HB LYS 79 12.489 3.660 -8.022 510 HG3 LYS 79 2HG LYS 79 13.271 2.144 -5.691 511 HD3 LYS 79 2HD LYS 79 13.895 5.018 -6.300 512 HE3 LYS 79 2HE LYS 79 16.063 3.226 -5.604 513 HZ1 LYS 79 3HZ LYS 79 15.085 5.457 -3.949 514 HZ2 LYS 79 1HZ LYS 79 15.817 5.774 -5.441 515 HZ3 LYS 79 2HZ LYS 79 16.675 4.956 -4.234 516 H ILE 80 H ILE 80 9.943 0.815 -6.856 517 HA ILE 80 HA ILE 80 8.950 1.065 -4.117 518 HB ILE 80 HB ILE 80 8.746 -1.343 -5.919 519 HG13 ILE 80 2HG1 ILE 80 6.511 -0.584 -6.514 520 HG21 ILE 80 1HG2 ILE 80 6.648 -1.576 -4.351 521 HG22 ILE 80 2HG2 ILE 80 8.239 -2.124 -3.828 522 HG23 ILE 80 3HG2 ILE 80 7.619 -0.569 -3.276 523 HD11 ILE 80 3HD1 ILE 80 5.496 0.767 -5.049 524 HD12 ILE 80 1HD1 ILE 80 7.013 1.464 -4.478 525 HD13 ILE 80 2HD1 ILE 80 6.280 2.048 -5.973 526 H LYS 81 H LYS 81 10.173 0.488 -2.458 527 HA LYS 81 HA LYS 81 12.660 -0.908 -2.866 528 HB3 LYS 81 2HB LYS 81 11.563 -0.339 -0.145 529 HG3 LYS 81 2HG LYS 81 13.822 -1.291 -0.387 530 HD3 LYS 81 2HD LYS 81 15.190 1.081 -1.194 531 HE3 LYS 81 2HE LYS 81 14.998 -1.513 -2.702 532 HZ1 LYS 81 3HZ LYS 81 17.374 -1.038 -3.072 533 HZ2 LYS 81 1HZ LYS 81 17.184 0.453 -2.297 534 HZ3 LYS 81 2HZ LYS 81 16.361 0.140 -3.740 535 H GLY 82 H GLY 82 12.079 -2.987 -3.530 536 HA2 GLY 82 2HA GLY 82 11.649 -4.857 -1.431 537 HA3 GLY 82 3HA GLY 82 10.188 -4.662 -2.389 538 H CYS 83 H CYS 83 11.566 -4.204 -4.886 539 HA CYS 83 HA CYS 83 12.861 -6.805 -5.326 540 HB3 CYS 83 2HB CYS 83 11.574 -6.597 -7.647 541 HG CYS 83 HG CYS 83 11.287 -8.974 -6.377 542 HA PRO 84 HA PRO 84 15.873 -4.673 -7.695 543 HB3 PRO 84 2HB PRO 84 16.901 -6.699 -8.035 544 HG3 PRO 84 2HG PRO 84 15.657 -8.629 -8.397 545 HD3 PRO 84 2HD PRO 84 14.606 -7.828 -6.508 546 H SER 85 H SER 85 12.819 -5.354 -9.000 547 HA SER 85 HA SER 85 12.988 -4.630 -11.657 548 HB3 SER 85 2HB SER 85 10.604 -3.529 -11.006 549 HG SER 85 HG SER 85 10.427 -6.220 -10.773 550 H GLU 86 H GLU 86 11.697 -2.344 -9.263 551 HA GLU 86 HA GLU 86 11.766 -0.066 -9.177 552 HB3 GLU 86 2HB GLU 86 13.997 0.921 -9.225 553 HG3 GLU 86 2HG GLU 86 13.787 -1.769 -7.934 554 HA PRO 87 HA PRO 87 11.363 0.285 -13.815 555 HB3 PRO 87 2HB PRO 87 9.282 -0.690 -13.823 556 HG3 PRO 87 2HG PRO 87 7.967 -0.726 -11.905 557 HD3 PRO 87 2HD PRO 87 9.948 -1.529 -11.044 558 H TYR 88 H TYR 88 11.513 2.225 -11.179 559 HA TYR 88 HA TYR 88 11.373 4.489 -10.781 560 HB3 TYR 88 2HB TYR 88 13.499 4.568 -11.708 561 HD1 TYR 88 2HD TYR 88 12.088 5.281 -15.013 562 HD2 TYR 88 1HD TYR 88 14.212 2.450 -12.651 563 HE1 TYR 88 2HE TYR 88 12.721 4.064 -17.053 564 HE2 TYR 88 1HE TYR 88 14.852 1.225 -14.686 565 HH TYR 88 HH TYR 88 14.307 2.511 -17.853 566 H PHE 89 H PHE 89 9.049 4.615 -10.937 567 HA PHE 89 HA PHE 89 7.920 5.524 -13.454 568 HB3 PHE 89 2HB PHE 89 5.794 5.648 -12.002 569 HD1 PHE 89 2HD PHE 89 6.462 4.377 -14.452 570 HD2 PHE 89 1HD PHE 89 6.128 2.654 -10.574 571 HE1 PHE 89 2HE PHE 89 5.959 2.195 -15.469 572 HE2 PHE 89 1HE PHE 89 5.625 0.468 -11.586 573 HZ PHE 89 HZ PHE 89 5.539 0.236 -14.036 574 H GLY 90 H GLY 90 6.099 7.354 -12.921 575 HA2 GLY 90 2HA GLY 90 7.579 9.744 -12.624 576 HA3 GLY 90 3HA GLY 90 5.827 9.622 -12.695 577 H SER 91 H SER 91 4.777 8.831 -10.633 578 HA SER 91 HA SER 91 6.260 9.575 -8.227 579 HB3 SER 91 2HB SER 91 5.113 11.632 -9.015 580 HG SER 91 HG SER 91 3.053 11.623 -9.482 581 H LEU 92 H LEU 92 4.559 9.330 -6.280 582 HA LEU 92 HA LEU 92 4.071 6.630 -5.971 583 HB3 LEU 92 2HB LEU 92 2.322 7.531 -4.223 584 HG LEU 92 HG LEU 92 5.071 7.091 -4.018 585 HD11 LEU 92 1HD1 LEU 92 5.836 9.232 -3.848 586 HD12 LEU 92 2HD1 LEU 92 5.414 8.937 -2.162 587 HD13 LEU 92 3HD1 LEU 92 4.316 9.845 -3.199 588 HD21 LEU 92 3HD2 LEU 92 2.704 7.173 -2.297 589 HD22 LEU 92 1HD2 LEU 92 4.227 7.439 -1.448 590 HD23 LEU 92 2HD2 LEU 92 3.994 5.974 -2.402 591 H SER 93 H SER 93 1.969 9.134 -7.257 592 HA SER 93 HA SER 93 -0.393 7.557 -7.328 593 HB3 SER 93 2HB SER 93 -1.205 9.320 -8.925 594 HG SER 93 HG SER 93 0.007 10.770 -6.900 595 H ALA 94 H ALA 94 2.254 8.100 -9.569 596 HA ALA 94 HA ALA 94 1.063 6.900 -11.837 597 HB1 ALA 94 1HB ALA 94 3.091 8.400 -11.808 598 HB2 ALA 94 2HB ALA 94 4.014 7.000 -11.259 599 HB3 ALA 94 3HB ALA 94 3.212 6.965 -12.829 600 H LEU 95 H LEU 95 3.221 5.626 -9.321 601 HA LEU 95 HA LEU 95 3.312 2.995 -10.417 602 HB3 LEU 95 2HB LEU 95 5.118 3.700 -9.044 603 HG LEU 95 HG LEU 95 3.600 5.210 -7.518 604 HD11 LEU 95 1HD1 LEU 95 3.738 3.759 -5.229 605 HD12 LEU 95 2HD1 LEU 95 3.279 2.520 -6.397 606 HD13 LEU 95 3HD1 LEU 95 2.281 3.961 -6.204 607 HD21 LEU 95 3HD2 LEU 95 5.580 4.314 -5.717 608 HD22 LEU 95 1HD2 LEU 95 5.636 5.709 -6.795 609 HD23 LEU 95 2HD2 LEU 95 6.241 4.144 -7.344 610 H VAL 96 H VAL 96 1.240 4.653 -8.149 611 HA VAL 96 HA VAL 96 0.006 2.346 -7.039 612 HB VAL 96 HB VAL 96 -0.658 5.260 -7.091 613 HG11 VAL 96 1HG1 VAL 96 -2.679 4.606 -5.643 614 HG12 VAL 96 2HG1 VAL 96 -2.831 4.468 -7.396 615 HG13 VAL 96 3HG1 VAL 96 -2.544 3.028 -6.418 616 HG21 VAL 96 3HG2 VAL 96 -0.875 4.029 -4.542 617 HG22 VAL 96 1HG2 VAL 96 0.596 3.436 -5.313 618 HG23 VAL 96 2HG2 VAL 96 0.343 5.170 -5.111 619 H SER 97 H SER 97 -0.808 4.495 -9.731 620 HA SER 97 HA SER 97 -3.292 3.226 -10.320 621 HB3 SER 97 2HB SER 97 -1.802 4.701 -12.444 622 HG SER 97 HG SER 97 -4.242 5.616 -11.790 623 H GLN 98 H GLN 98 0.005 2.896 -11.532 624 HA GLN 98 HA GLN 98 -0.668 1.067 -13.616 625 HB3 GLN 98 2HB GLN 98 1.997 0.624 -13.049 626 HG3 GLN 98 2HG GLN 98 2.526 2.096 -14.856 627 HE21 GLN 98 1HE2 GLN 98 -0.472 2.349 -16.144 628 HE22 GLN 98 2HE2 GLN 98 -0.587 0.816 -16.932 629 H HIS 99 H HIS 99 0.149 0.772 -10.240 630 HA HIS 99 HA HIS 99 0.839 -1.960 -10.203 631 HB3 HIS 99 2HB HIS 99 -0.155 -1.634 -7.732 632 HD1 HIS 99 1HD HIS 99 1.792 -0.252 -6.068 633 HD2 HIS 99 2HD HIS 99 2.867 -1.768 -9.783 634 HE1 HIS 99 1HE HIS 99 4.290 -0.522 -5.986 635 H SER 100 H SER 100 -2.131 -0.417 -10.740 636 HA SER 100 HA SER 100 -3.803 -2.533 -9.717 637 HB3 SER 100 2HB SER 100 -4.313 0.054 -10.106 638 HG SER 100 HG SER 100 -5.047 0.517 -12.034 639 H ILE 101 H ILE 101 -1.883 -2.197 -12.408 640 HA ILE 101 HA ILE 101 -3.471 -4.195 -13.879 641 HB ILE 101 HB ILE 101 -1.781 -2.022 -15.123 642 HG13 ILE 101 2HG1 ILE 101 -3.982 -1.303 -14.098 643 HG21 ILE 101 1HG2 ILE 101 -2.748 -4.536 -16.117 644 HG22 ILE 101 2HG2 ILE 101 -3.478 -3.205 -17.013 645 HG23 ILE 101 3HG2 ILE 101 -1.723 -3.340 -16.910 646 HD11 ILE 101 3HD1 ILE 101 -2.923 -0.621 -16.590 647 HD12 ILE 101 1HD1 ILE 101 -4.657 -0.821 -16.838 648 HD13 ILE 101 2HD1 ILE 101 -4.065 0.301 -15.613 649 H SER 102 H SER 102 -0.234 -2.859 -13.313 650 HA SER 102 HA SER 102 0.856 -5.564 -13.695 651 HB3 SER 102 2HB SER 102 2.954 -4.176 -14.555 652 HG SER 102 HG SER 102 1.327 -4.236 -16.654 653 HA PRO 103 HA PRO 103 2.098 -3.863 -9.582 654 HB3 PRO 103 2HB PRO 103 0.433 -5.061 -8.546 655 HG3 PRO 103 2HG PRO 103 -0.471 -6.961 -9.535 656 HD3 PRO 103 2HD PRO 103 -0.619 -5.486 -11.300 657 H ILE 104 H ILE 104 4.173 -3.832 -8.982 658 HA ILE 104 HA ILE 104 5.980 -5.853 -10.073 659 HB ILE 104 HB ILE 104 6.569 -3.215 -8.725 660 HG13 ILE 104 2HG1 ILE 104 7.207 -2.454 -10.943 661 HG21 ILE 104 1HG2 ILE 104 8.373 -4.723 -8.270 662 HG22 ILE 104 2HG2 ILE 104 8.417 -5.253 -9.950 663 HG23 ILE 104 3HG2 ILE 104 8.891 -3.608 -9.533 664 HD11 ILE 104 3HD1 ILE 104 6.292 -5.119 -11.994 665 HD12 ILE 104 1HD1 ILE 104 6.858 -3.742 -12.938 666 HD13 ILE 104 2HD1 ILE 104 7.974 -4.602 -11.876 667 H SER 105 H SER 105 6.106 -4.030 -7.022 668 HA SER 105 HA SER 105 6.987 -6.465 -5.667 669 HB3 SER 105 2HB SER 105 6.867 -4.007 -4.071 670 HG SER 105 HG SER 105 9.294 -4.778 -4.240 671 H LEU 106 H LEU 106 4.248 -6.283 -6.418 672 HA LEU 106 HA LEU 106 2.988 -6.200 -3.756 673 HB3 LEU 106 2HB LEU 106 0.862 -5.646 -4.982 674 HG LEU 106 HG LEU 106 2.979 -3.527 -5.346 675 HD11 LEU 106 1HD1 LEU 106 -0.024 -3.392 -5.120 676 HD12 LEU 106 2HD1 LEU 106 0.954 -3.001 -6.536 677 HD13 LEU 106 3HD1 LEU 106 1.055 -1.996 -5.090 678 HD21 LEU 106 3HD2 LEU 106 3.097 -4.157 -3.079 679 HD22 LEU 106 1HD2 LEU 106 1.346 -4.338 -2.955 680 HD23 LEU 106 2HD2 LEU 106 2.058 -2.732 -3.120 681 HA PRO 107 HA PRO 107 1.723 -10.359 -4.371 682 HB3 PRO 107 2HB PRO 107 0.888 -10.299 -2.231 683 HG3 PRO 107 2HG PRO 107 -0.139 -8.385 -1.397 684 HD3 PRO 107 2HD PRO 107 1.802 -7.462 -2.230 685 H CYS 108 H CYS 108 -0.867 -7.985 -4.954 686 HA CYS 108 HA CYS 108 -1.486 -9.300 -7.472 687 HB3 CYS 108 2HB CYS 108 -3.976 -8.707 -6.137 688 HG CYS 108 HG CYS 108 -4.407 -10.294 -8.227 689 H CYS 109 H CYS 109 -2.673 -7.987 -8.927 690 HA CYS 109 HA CYS 109 -2.011 -5.310 -8.974 691 HB3 CYS 109 2HB CYS 109 -2.733 -6.477 -10.973 692 HG CYS 109 HG CYS 109 -4.602 -8.325 -10.113 693 H LEU 110 H LEU 110 -2.754 -3.523 -8.026 694 HA LEU 110 HA LEU 110 -4.485 -3.529 -5.877 695 HB3 LEU 110 2HB LEU 110 -3.631 -1.346 -7.751 696 HG LEU 110 HG LEU 110 -5.792 -0.624 -6.762 697 HD11 LEU 110 1HD1 LEU 110 -6.202 -0.547 -4.514 698 HD12 LEU 110 2HD1 LEU 110 -4.491 -0.484 -4.089 699 HD13 LEU 110 3HD1 LEU 110 -5.217 -2.007 -4.603 700 HD21 LEU 110 3HD2 LEU 110 -4.264 1.244 -5.323 701 HD22 LEU 110 1HD2 LEU 110 -4.855 1.374 -6.979 702 HD23 LEU 110 2HD2 LEU 110 -3.255 0.701 -6.664 703 H ARG 111 H ARG 111 -6.640 -3.059 -5.560 704 HA ARG 111 HA ARG 111 -8.308 -2.902 -7.983 705 HB3 ARG 111 2HB ARG 111 -9.714 -4.123 -5.787 706 HG3 ARG 111 2HG ARG 111 -10.217 -4.326 -8.245 707 HD3 ARG 111 2HD ARG 111 -7.630 -5.669 -8.134 708 HE ARG 111 HE ARG 111 -8.493 -7.737 -8.616 709 HH11 ARG 111 1HH1 ARG 111 -10.264 -5.312 -10.376 710 HH12 ARG 111 2HH1 ARG 111 -11.145 -6.460 -11.328 711 HH21 ARG 111 1HH2 ARG 111 -9.647 -9.259 -9.863 712 HH22 ARG 111 2HH2 ARG 111 -10.795 -8.705 -11.035 713 H ILE 112 H ILE 112 -9.602 -1.191 -8.050 714 HA ILE 112 HA ILE 112 -10.537 -0.000 -5.537 715 HB ILE 112 HB ILE 112 -9.499 1.667 -7.825 716 HG13 ILE 112 2HG1 ILE 112 -7.667 0.409 -6.737 717 HG21 ILE 112 1HG2 ILE 112 -9.662 2.877 -5.191 718 HG22 ILE 112 2HG2 ILE 112 -10.294 3.442 -6.736 719 HG23 ILE 112 3HG2 ILE 112 -11.225 2.301 -5.767 720 HD11 ILE 112 3HD1 ILE 112 -6.310 2.327 -5.907 721 HD12 ILE 112 1HD1 ILE 112 -7.010 2.555 -7.509 722 HD13 ILE 112 2HD1 ILE 112 -7.735 3.345 -6.108 723 HA PRO 113 HA PRO 113 -13.885 -0.573 -8.748 724 HB3 PRO 113 2HB PRO 113 -14.323 -2.729 -8.087 725 HG3 PRO 113 2HG PRO 113 -13.728 -3.479 -5.969 726 HD3 PRO 113 2HD PRO 113 -11.732 -2.536 -6.632 727 H SER 114 H SER 114 -14.359 -0.055 -5.248 728 HA SER 114 HA SER 114 -15.354 2.555 -5.506 729 HB3 SER 114 2HB SER 114 -17.632 0.771 -4.773 730 HG SER 114 HG SER 114 -18.718 2.532 -5.898 731 H LYS 115 H LYS 115 -14.121 2.977 -3.720 732 HA LYS 115 HA LYS 115 -13.625 3.213 -1.513 733 HB3 LYS 115 2HB LYS 115 -16.001 1.869 -0.450 734 HG3 LYS 115 2HG LYS 115 -16.087 4.671 -0.078 735 HD3 LYS 115 2HD LYS 115 -15.228 3.843 2.267 736 HE3 LYS 115 2HE LYS 115 -17.762 3.897 0.964 737 HZ1 LYS 115 3HZ LYS 115 -17.243 1.378 2.017 738 HZ2 LYS 115 1HZ LYS 115 -18.728 1.992 1.487 739 HZ3 LYS 115 2HZ LYS 115 -18.279 2.148 3.109 Start of MODEL 14 1 H1 MET 1 H MET 1 -17.664 9.353 -1.303 2 HA MET 1 HA MET 1 -17.499 9.301 0.996 3 HB3 MET 1 2HB MET 1 -19.636 8.188 1.210 4 HG3 MET 1 2HG MET 1 -18.146 5.791 0.261 5 HE1 MET 1 3HE MET 1 -19.788 2.788 1.180 6 HE2 MET 1 1HE MET 1 -21.228 3.596 0.558 7 HE3 MET 1 2HE MET 1 -19.670 3.837 -0.233 8 H ASP 2 H ASP 2 -15.554 8.407 -0.934 9 HA ASP 2 HA ASP 2 -13.678 7.219 0.841 10 HB3 ASP 2 2HB ASP 2 -13.427 5.295 -1.101 11 H THR 3 H THR 3 -12.368 8.923 0.285 12 HA THR 3 HA THR 3 -11.408 8.964 -2.502 13 HB THR 3 HB THR 3 -10.897 11.327 -2.254 14 HG1 THR 3 1HG THR 3 -11.215 12.397 -0.362 15 HG21 THR 3 3HG2 THR 3 -13.238 10.503 -2.879 16 HG22 THR 3 1HG2 THR 3 -13.085 12.184 -2.369 17 HG23 THR 3 2HG2 THR 3 -13.708 10.976 -1.246 18 H SER 4 H SER 4 -9.148 10.003 -2.629 19 HA SER 4 HA SER 4 -7.323 8.346 -1.321 20 HB3 SER 4 2HB SER 4 -6.942 9.631 -3.465 21 HG SER 4 HG SER 4 -7.288 11.705 -3.159 22 H LYS 5 H LYS 5 -8.678 11.416 -0.403 23 HA LYS 5 HA LYS 5 -6.769 12.139 1.555 24 HB3 LYS 5 2HB LYS 5 -8.701 13.530 2.473 25 HG3 LYS 5 2HG LYS 5 -8.327 13.919 -0.481 26 HD3 LYS 5 2HD LYS 5 -8.090 16.338 0.702 27 HE3 LYS 5 2HE LYS 5 -9.767 15.232 -1.078 28 HZ1 LYS 5 3HZ LYS 5 -12.019 15.496 -0.330 29 HZ2 LYS 5 1HZ LYS 5 -11.507 15.964 1.213 30 HZ3 LYS 5 2HZ LYS 5 -11.238 14.383 0.677 31 H PHE 6 H PHE 6 -9.419 9.906 1.543 32 HA PHE 6 HA PHE 6 -9.436 9.657 4.441 33 HB3 PHE 6 2HB PHE 6 -10.964 7.978 2.452 34 HD1 PHE 6 1HD PHE 6 -11.006 9.574 5.822 35 HD2 PHE 6 2HD PHE 6 -12.269 6.329 3.374 36 HE1 PHE 6 1HE PHE 6 -12.037 8.500 7.782 37 HE2 PHE 6 2HE PHE 6 -13.302 5.250 5.329 38 HZ PHE 6 HZ PHE 6 -13.187 6.337 7.537 39 H TRP 7 H TRP 7 -8.065 8.117 1.671 40 HA TRP 7 HA TRP 7 -7.321 5.745 3.210 41 HB3 TRP 7 2HB TRP 7 -6.290 5.117 0.896 42 HD1 TRP 7 HD TRP 7 -9.603 5.723 -0.495 43 HE1 TRP 7 1HE TRP 7 -11.193 3.755 -0.019 44 HE3 TRP 7 3HE TRP 7 -6.866 3.320 3.092 45 HZ2 TRP 7 2HZ TRP 7 -11.274 1.484 1.656 46 HZ3 TRP 7 3HZ TRP 7 -7.771 1.256 4.081 47 HH2 TRP 7 HH TRP 7 -9.929 0.360 3.377 48 H TYR 8 H TYR 8 -6.140 8.774 2.704 49 HA TYR 8 HA TYR 8 -3.339 7.879 2.901 50 HB3 TYR 8 2HB TYR 8 -4.501 10.443 1.805 51 HD1 TYR 8 2HD TYR 8 -1.318 8.726 2.694 52 HD2 TYR 8 1HD TYR 8 -3.211 12.369 1.579 53 HE1 TYR 8 2HE TYR 8 0.788 9.934 3.090 54 HE2 TYR 8 1HE TYR 8 -1.110 13.588 1.972 55 HH TYR 8 HH TYR 8 0.947 13.420 3.022 56 H LYS 9 H LYS 9 -2.721 7.882 4.958 57 HA LYS 9 HA LYS 9 -3.182 10.295 6.551 58 HB3 LYS 9 2HB LYS 9 -3.614 8.802 8.555 59 HG3 LYS 9 2HG LYS 9 -5.669 8.677 6.354 60 HD3 LYS 9 2HD LYS 9 -6.320 8.771 9.261 61 HE3 LYS 9 2HE LYS 9 -7.642 8.179 6.720 62 HZ1 LYS 9 3HZ LYS 9 -9.072 6.498 7.513 63 HZ2 LYS 9 1HZ LYS 9 -8.420 6.555 9.073 64 HZ3 LYS 9 2HZ LYS 9 -7.501 5.938 7.794 65 HA PRO 10 HA PRO 10 1.214 9.464 6.947 66 HB3 PRO 10 2HB PRO 10 1.550 11.656 6.347 67 HG3 PRO 10 2HG PRO 10 -0.048 13.284 6.799 68 HD3 PRO 10 2HD PRO 10 -1.379 11.687 5.801 69 H HIS 11 H HIS 11 -0.889 10.752 9.489 70 HA HIS 11 HA HIS 11 0.890 10.070 11.624 71 HB3 HIS 11 2HB HIS 11 -1.611 10.305 12.768 72 HD1 HIS 11 1HD HIS 11 1.281 10.903 13.597 73 HD2 HIS 11 2HD HIS 11 -1.443 13.807 12.407 74 HE1 HIS 11 1HE HIS 11 2.105 13.053 14.609 75 H LEU 12 H LEU 12 -1.019 8.220 9.628 76 HA LEU 12 HA LEU 12 -2.000 6.306 11.511 77 HB3 LEU 12 2HB LEU 12 -1.519 5.791 8.592 78 HG LEU 12 HG LEU 12 -2.439 3.880 9.794 79 HD11 LEU 12 1HD1 LEU 12 -4.891 4.252 10.600 80 HD12 LEU 12 2HD1 LEU 12 -4.372 5.928 10.778 81 HD13 LEU 12 3HD1 LEU 12 -3.539 4.650 11.662 82 HD21 LEU 12 3HD2 LEU 12 -3.311 4.863 7.453 83 HD22 LEU 12 1HD2 LEU 12 -4.827 4.846 8.355 84 HD23 LEU 12 2HD2 LEU 12 -3.903 3.356 8.156 85 H SER 13 H SER 13 -1.284 4.130 11.765 86 HA SER 13 HA SER 13 1.618 3.840 11.369 87 HB3 SER 13 2HB SER 13 1.361 3.648 13.652 88 HG SER 13 HG SER 13 -0.623 3.655 14.324 89 H ARG 14 H ARG 14 2.425 1.658 10.948 90 HA ARG 14 HA ARG 14 1.268 0.485 8.713 91 HB3 ARG 14 2HB ARG 14 3.231 -0.622 10.718 92 HG3 ARG 14 2HG ARG 14 3.612 -1.880 8.246 93 HD3 ARG 14 2HD ARG 14 3.201 -3.917 9.505 94 HE ARG 14 HE ARG 14 4.498 -2.403 11.576 95 HH11 ARG 14 1HH1 ARG 14 4.815 -3.738 8.376 96 HH12 ARG 14 2HH1 ARG 14 6.545 -3.804 8.434 97 HH21 ARG 14 1HH2 ARG 14 6.776 -2.485 11.664 98 HH22 ARG 14 2HH2 ARG 14 7.659 -3.093 10.305 99 H ASP 15 H ASP 15 1.160 -0.601 12.097 100 HA ASP 15 HA ASP 15 -0.330 -2.922 11.726 101 HB3 ASP 15 2HB ASP 15 -0.949 -1.362 14.160 102 H GLN 16 H GLN 16 -1.413 0.413 12.205 103 HA GLN 16 HA GLN 16 -4.166 -0.129 12.376 104 HB3 GLN 16 2HB GLN 16 -4.114 2.360 11.291 105 HG3 GLN 16 2HG GLN 16 -3.524 3.119 13.734 106 HE21 GLN 16 1HE2 GLN 16 -5.387 3.120 15.289 107 HE22 GLN 16 2HE2 GLN 16 -6.973 3.033 14.612 108 H ALA 17 H ALA 17 -2.071 0.564 9.614 109 HA ALA 17 HA ALA 17 -4.100 0.711 7.664 110 HB1 ALA 17 1HB ALA 17 -1.286 -0.227 7.164 111 HB2 ALA 17 2HB ALA 17 -2.374 0.602 6.051 112 HB3 ALA 17 3HB ALA 17 -1.700 1.466 7.433 113 H ILE 18 H ILE 18 -2.185 -1.995 8.894 114 HA ILE 18 HA ILE 18 -3.100 -3.922 7.043 115 HB ILE 18 HB ILE 18 -2.094 -4.339 9.860 116 HG13 ILE 18 2HG1 ILE 18 -0.605 -3.140 8.130 117 HG21 ILE 18 1HG2 ILE 18 -1.499 -6.519 8.158 118 HG22 ILE 18 2HG2 ILE 18 -2.539 -6.493 9.581 119 HG23 ILE 18 3HG2 ILE 18 -3.218 -6.163 7.988 120 HD11 ILE 18 3HD1 ILE 18 0.564 -3.919 9.975 121 HD12 ILE 18 1HD1 ILE 18 0.234 -5.608 9.593 122 HD13 ILE 18 2HD1 ILE 18 1.375 -4.689 8.612 123 H ALA 19 H ALA 19 -4.253 -2.948 10.244 124 HA ALA 19 HA ALA 19 -6.261 -4.931 10.467 125 HB1 ALA 19 1HB ALA 19 -5.265 -3.502 12.321 126 HB2 ALA 19 2HB ALA 19 -6.371 -2.236 11.787 127 HB3 ALA 19 3HB ALA 19 -7.008 -3.773 12.370 128 H LEU 20 H LEU 20 -6.213 -1.688 9.103 129 HA LEU 20 HA LEU 20 -9.031 -1.514 8.703 130 HB3 LEU 20 2HB LEU 20 -7.592 0.110 6.846 131 HG LEU 20 HG LEU 20 -9.686 0.837 7.918 132 HD11 LEU 20 1HD1 LEU 20 -8.117 0.361 10.326 133 HD12 LEU 20 2HD1 LEU 20 -9.865 0.444 10.107 134 HD13 LEU 20 3HD1 LEU 20 -8.932 1.926 10.320 135 HD21 LEU 20 3HD2 LEU 20 -7.263 2.582 8.323 136 HD22 LEU 20 1HD2 LEU 20 -8.925 3.156 8.460 137 HD23 LEU 20 2HD2 LEU 20 -8.333 2.531 6.920 138 H LEU 21 H LEU 21 -6.344 -2.748 6.848 139 HA LEU 21 HA LEU 21 -7.788 -2.954 4.380 140 HB3 LEU 21 2HB LEU 21 -5.824 -4.506 3.807 141 HG LEU 21 HG LEU 21 -5.094 -1.698 4.637 142 HD11 LEU 21 1HD1 LEU 21 -3.482 -2.142 2.620 143 HD12 LEU 21 2HD1 LEU 21 -3.704 -3.828 3.085 144 HD13 LEU 21 3HD1 LEU 21 -3.055 -2.671 4.247 145 HD21 LEU 21 3HD2 LEU 21 -6.960 -1.638 3.124 146 HD22 LEU 21 1HD2 LEU 21 -6.180 -2.799 2.049 147 HD23 LEU 21 2HD2 LEU 21 -5.501 -1.183 2.243 148 H LYS 22 H LYS 22 -6.962 -5.153 7.018 149 HA LYS 22 HA LYS 22 -8.096 -7.462 5.772 150 HB3 LYS 22 2HB LYS 22 -6.316 -7.437 7.587 151 HG3 LYS 22 2HG LYS 22 -8.720 -7.098 9.372 152 HD3 LYS 22 2HD LYS 22 -6.443 -7.008 10.916 153 HE3 LYS 22 2HE LYS 22 -7.148 -9.290 11.667 154 HZ1 LYS 22 3HZ LYS 22 -9.342 -8.601 12.410 155 HZ2 LYS 22 1HZ LYS 22 -9.349 -7.330 11.294 156 HZ3 LYS 22 2HZ LYS 22 -8.235 -7.331 12.567 157 H ASP 23 H ASP 23 -9.470 -4.744 7.123 158 HA ASP 23 HA ASP 23 -11.920 -6.189 7.884 159 HB3 ASP 23 2HB ASP 23 -11.490 -3.299 8.534 160 H LYS 24 H LYS 24 -10.622 -4.704 5.308 161 HA LYS 24 HA LYS 24 -13.219 -3.631 4.414 162 HB3 LYS 24 2HB LYS 24 -11.836 -2.209 2.833 163 HG3 LYS 24 2HG LYS 24 -10.914 -0.709 4.755 164 HD3 LYS 24 2HD LYS 24 -13.779 -1.377 4.175 165 HE3 LYS 24 2HE LYS 24 -13.445 1.163 5.494 166 HZ1 LYS 24 3HZ LYS 24 -15.442 0.629 6.373 167 HZ2 LYS 24 1HZ LYS 24 -15.024 -0.982 6.679 168 HZ3 LYS 24 2HZ LYS 24 -15.453 -0.502 5.115 169 H ASP 25 H ASP 25 -13.232 -3.543 1.885 170 HA ASP 25 HA ASP 25 -13.197 -6.205 0.964 171 HB3 ASP 25 2HB ASP 25 -13.380 -4.913 -1.346 172 HA PRO 26 HA PRO 26 -9.131 -6.847 -0.545 173 HB3 PRO 26 2HB PRO 26 -9.808 -8.953 -1.165 174 HG3 PRO 26 2HG PRO 26 -11.932 -9.322 -2.038 175 HD3 PRO 26 2HD PRO 26 -12.481 -8.110 -0.155 176 H GLY 27 H GLY 27 -7.600 -6.106 -2.019 177 HA2 GLY 27 2HA GLY 27 -6.854 -5.071 -3.999 178 HA3 GLY 27 3HA GLY 27 -8.518 -4.658 -4.385 179 H ALA 28 H ALA 28 -8.690 -3.703 -1.453 180 HA ALA 28 HA ALA 28 -8.221 -0.955 -2.028 181 HB1 ALA 28 1HB ALA 28 -9.279 -0.496 -0.043 182 HB2 ALA 28 2HB ALA 28 -9.927 -2.098 -0.401 183 HB3 ALA 28 3HB ALA 28 -8.617 -1.918 0.765 184 H PHE 29 H PHE 29 -6.742 0.474 -1.065 185 HA PHE 29 HA PHE 29 -4.475 -0.729 0.352 186 HB3 PHE 29 2HB PHE 29 -3.945 -0.561 -2.093 187 HD1 PHE 29 1HD PHE 29 -5.960 0.784 -3.067 188 HD2 PHE 29 2HD PHE 29 -2.386 2.546 -1.571 189 HE1 PHE 29 1HE PHE 29 -6.416 2.814 -4.379 190 HE2 PHE 29 2HE PHE 29 -2.838 4.580 -2.880 191 HZ PHE 29 HZ PHE 29 -4.854 4.716 -4.285 192 H LEU 30 H LEU 30 -2.976 1.034 1.201 193 HA LEU 30 HA LEU 30 -4.276 3.580 1.715 194 HB3 LEU 30 2HB LEU 30 -3.625 1.589 3.874 195 HG LEU 30 HG LEU 30 -3.726 4.507 4.109 196 HD11 LEU 30 1HD1 LEU 30 -5.068 3.115 6.348 197 HD12 LEU 30 2HD1 LEU 30 -6.030 3.427 4.905 198 HD13 LEU 30 3HD1 LEU 30 -5.259 4.766 5.756 199 HD21 LEU 30 3HD2 LEU 30 -3.039 2.825 6.408 200 HD22 LEU 30 1HD2 LEU 30 -2.132 4.127 5.639 201 HD23 LEU 30 2HD2 LEU 30 -2.093 2.502 4.954 202 H ILE 31 H ILE 31 -2.860 5.206 2.377 203 HA ILE 31 HA ILE 31 -0.007 4.484 2.212 204 HB ILE 31 HB ILE 31 -1.308 7.117 1.505 205 HG13 ILE 31 2HG1 ILE 31 -1.677 5.120 -0.049 206 HG21 ILE 31 1HG2 ILE 31 1.548 6.195 1.518 207 HG22 ILE 31 2HG2 ILE 31 1.005 7.542 0.518 208 HG23 ILE 31 3HG2 ILE 31 0.848 7.626 2.272 209 HD11 ILE 31 3HD1 ILE 31 -1.776 6.455 -1.844 210 HD12 ILE 31 1HD1 ILE 31 -1.390 7.722 -0.679 211 HD13 ILE 31 2HD1 ILE 31 -0.111 7.006 -1.660 212 H ARG 32 H ARG 32 1.396 5.210 3.746 213 HA ARG 32 HA ARG 32 0.400 7.026 5.815 214 HB3 ARG 32 2HB ARG 32 0.075 4.613 6.513 215 HG3 ARG 32 2HG ARG 32 3.036 4.597 6.977 216 HD3 ARG 32 2HD ARG 32 1.372 2.161 6.731 217 HE ARG 32 HE ARG 32 3.324 1.442 7.650 218 HH11 ARG 32 1HH1 ARG 32 2.508 4.513 9.072 219 HH12 ARG 32 2HH1 ARG 32 3.840 4.502 10.180 220 HH21 ARG 32 1HH2 ARG 32 5.082 1.416 9.104 221 HH22 ARG 32 2HH2 ARG 32 5.304 2.739 10.197 222 H ASP 33 H ASP 33 2.172 7.797 7.251 223 HA ASP 33 HA ASP 33 4.402 8.627 5.665 224 HB3 ASP 33 2HB ASP 33 3.999 8.991 8.640 225 H SER 34 H SER 34 6.212 7.533 5.348 226 HA SER 34 HA SER 34 6.881 5.313 7.120 227 HB3 SER 34 2HB SER 34 8.550 5.943 4.735 228 HG SER 34 HG SER 34 9.076 4.019 5.461 229 H HIS 35 H HIS 35 7.723 6.325 8.927 230 HA HIS 35 HA HIS 35 9.746 8.337 8.764 231 HB3 HIS 35 2HB HIS 35 9.728 6.961 11.300 232 HD1 HIS 35 1HD HIS 35 11.220 9.431 10.545 233 HD2 HIS 35 2HD HIS 35 7.347 9.552 12.046 234 HE1 HIS 35 1HE HIS 35 10.939 11.742 11.494 235 H SER 36 H SER 36 9.779 4.996 8.373 236 HA SER 36 HA SER 36 12.117 4.136 9.563 237 HB3 SER 36 2HB SER 36 12.246 2.643 7.389 238 HG SER 36 HG SER 36 11.346 1.386 8.795 239 H PHE 37 H PHE 37 11.728 5.630 6.360 240 HA PHE 37 HA PHE 37 14.514 6.519 6.508 241 HB3 PHE 37 2HB PHE 37 13.973 5.868 3.790 242 HD1 PHE 37 2HD PHE 37 16.269 6.815 3.887 243 HD2 PHE 37 1HD PHE 37 15.246 3.138 5.772 244 HE1 PHE 37 2HE PHE 37 18.654 6.224 4.022 245 HE2 PHE 37 1HE PHE 37 17.629 2.542 5.911 246 HZ PHE 37 HZ PHE 37 19.337 4.086 5.034 247 H GLN 38 H GLN 38 14.974 8.407 5.334 248 HA GLN 38 HA GLN 38 12.893 10.286 5.189 249 HB3 GLN 38 2HB GLN 38 14.641 11.647 3.888 250 HG3 GLN 38 2HG GLN 38 15.692 10.563 6.479 251 HE21 GLN 38 1HE2 GLN 38 17.714 11.291 5.519 252 HE22 GLN 38 2HE2 GLN 38 18.105 12.973 5.565 253 H GLY 39 H GLY 39 11.802 11.215 3.466 254 HA2 GLY 39 2HA GLY 39 10.700 11.220 1.452 255 HA3 GLY 39 3HA GLY 39 12.248 10.763 0.756 256 H ALA 40 H ALA 40 10.246 8.929 3.027 257 HA ALA 40 HA ALA 40 9.795 6.931 0.910 258 HB1 ALA 40 1HB ALA 40 10.137 5.149 2.555 259 HB2 ALA 40 2HB ALA 40 11.584 6.138 2.356 260 HB3 ALA 40 3HB ALA 40 10.555 6.355 3.772 261 H TYR 41 H TYR 41 7.817 5.935 0.890 262 HA TYR 41 HA TYR 41 5.885 6.786 2.945 263 HB3 TYR 41 2HB TYR 41 4.175 6.659 1.033 264 HD1 TYR 41 2HD TYR 41 7.214 8.652 0.215 265 HD2 TYR 41 1HD TYR 41 3.265 8.662 1.797 266 HE1 TYR 41 2HE TYR 41 7.275 11.108 0.332 267 HE2 TYR 41 1HE TYR 41 3.313 11.119 1.917 268 HH TYR 41 HH TYR 41 5.931 12.974 0.532 269 H GLY 42 H GLY 42 4.636 5.231 3.818 270 HA2 GLY 42 2HA GLY 42 5.201 2.481 3.065 271 HA3 GLY 42 3HA GLY 42 4.294 3.013 4.473 272 H LEU 43 H LEU 43 4.051 1.479 1.563 273 HA LEU 43 HA LEU 43 1.229 2.237 1.212 274 HB3 LEU 43 2HB LEU 43 3.189 0.978 -0.699 275 HG LEU 43 HG LEU 43 0.686 0.273 -0.970 276 HD11 LEU 43 1HD1 LEU 43 -0.457 1.932 -2.505 277 HD12 LEU 43 2HD1 LEU 43 0.703 3.124 -1.917 278 HD13 LEU 43 3HD1 LEU 43 -0.410 2.348 -0.791 279 HD21 LEU 43 3HD2 LEU 43 2.718 0.107 -2.576 280 HD22 LEU 43 1HD2 LEU 43 1.941 1.449 -3.417 281 HD23 LEU 43 2HD2 LEU 43 1.086 -0.082 -3.220 282 H ALA 44 H ALA 44 -0.288 0.817 1.750 283 HA ALA 44 HA ALA 44 0.492 -2.007 2.076 284 HB1 ALA 44 1HB ALA 44 -0.217 -0.474 4.116 285 HB2 ALA 44 2HB ALA 44 -1.832 -0.930 3.575 286 HB3 ALA 44 3HB ALA 44 -0.669 -2.176 4.028 287 H LEU 45 H LEU 45 -0.762 -3.556 1.159 288 HA LEU 45 HA LEU 45 -3.267 -2.724 -0.131 289 HB3 LEU 45 2HB LEU 45 -0.999 -4.267 -1.366 290 HG LEU 45 HG LEU 45 -2.961 -5.425 -2.135 291 HD11 LEU 45 1HD1 LEU 45 -4.918 -4.379 -2.091 292 HD12 LEU 45 2HD1 LEU 45 -4.431 -3.537 -3.561 293 HD13 LEU 45 3HD1 LEU 45 -4.141 -2.800 -1.986 294 HD21 LEU 45 3HD2 LEU 45 -2.265 -3.480 -4.314 295 HD22 LEU 45 1HD2 LEU 45 -2.666 -5.192 -4.450 296 HD23 LEU 45 2HD2 LEU 45 -1.125 -4.701 -3.747 297 H LYS 46 H LYS 46 -4.896 -4.217 -0.123 298 HA LYS 46 HA LYS 46 -4.427 -6.602 1.513 299 HB3 LYS 46 2HB LYS 46 -7.153 -5.712 0.659 300 HG3 LYS 46 2HG LYS 46 -6.795 -6.279 3.454 301 HD3 LYS 46 2HD LYS 46 -8.358 -7.572 1.223 302 HE3 LYS 46 2HE LYS 46 -7.879 -8.468 3.912 303 HZ1 LYS 46 3HZ LYS 46 -10.756 -8.273 3.331 304 HZ2 LYS 46 1HZ LYS 46 -9.981 -7.001 4.133 305 HZ3 LYS 46 2HZ LYS 46 -9.977 -8.553 4.807 306 H VAL 47 H VAL 47 -4.616 -8.621 0.736 307 HA VAL 47 HA VAL 47 -5.414 -8.911 -2.086 308 HB VAL 47 HB VAL 47 -3.803 -10.979 -0.636 309 HG11 VAL 47 1HG1 VAL 47 -4.505 -11.713 -2.742 310 HG12 VAL 47 2HG1 VAL 47 -4.212 -10.142 -3.488 311 HG13 VAL 47 3HG1 VAL 47 -2.853 -11.158 -3.008 312 HG21 VAL 47 3HG2 VAL 47 -2.556 -8.996 -0.177 313 HG22 VAL 47 1HG2 VAL 47 -1.751 -9.834 -1.504 314 HG23 VAL 47 2HG2 VAL 47 -2.751 -8.420 -1.833 315 H ALA 48 H ALA 48 -6.391 -11.019 -2.660 316 HA ALA 48 HA ALA 48 -8.716 -11.529 -1.248 317 HB1 ALA 48 1HB ALA 48 -7.369 -13.616 -2.937 318 HB2 ALA 48 2HB ALA 48 -9.094 -13.324 -2.713 319 HB3 ALA 48 3HB ALA 48 -8.119 -12.182 -3.638 320 H THR 49 H THR 49 -5.775 -13.549 -1.321 321 HA THR 49 HA THR 49 -5.814 -14.118 1.435 322 HB THR 49 HB THR 49 -6.274 -16.737 0.700 323 HG1 THR 49 1HG THR 49 -8.215 -16.702 -0.466 324 HG21 THR 49 3HG2 THR 49 -7.265 -16.331 2.676 325 HG22 THR 49 1HG2 THR 49 -8.692 -15.953 1.712 326 HG23 THR 49 2HG2 THR 49 -7.628 -14.656 2.257 327 HA PRO 50 HA PRO 50 -1.771 -15.561 0.521 328 HB3 PRO 50 2HB PRO 50 -1.400 -15.651 2.786 329 HG3 PRO 50 2HG PRO 50 -3.066 -16.356 4.248 330 HD3 PRO 50 2HD PRO 50 -4.244 -14.795 3.025 331 HA PRO 51 HA PRO 51 -1.742 -19.275 -1.832 332 HB3 PRO 51 2HB PRO 51 0.436 -18.805 -2.388 333 HG3 PRO 51 2HG PRO 51 1.904 -17.902 -0.827 334 HD3 PRO 51 2HD PRO 51 0.122 -16.462 -0.574 335 HA PRO 52 HA PRO 52 -2.649 -22.865 0.541 336 HB3 PRO 52 2HB PRO 52 -3.144 -23.937 -1.430 337 HG3 PRO 52 2HG PRO 52 -1.875 -23.577 -3.345 338 HD3 PRO 52 2HD PRO 52 -2.290 -21.395 -2.728 339 H SER 53 H SER 53 -1.407 -25.238 0.869 340 HA SER 53 HA SER 53 1.379 -25.088 1.364 341 HB3 SER 53 2HB SER 53 -0.348 -24.942 3.844 342 HG SER 53 HG SER 53 1.558 -24.917 4.906 343 H ALA 54 H ALA 54 -0.649 -26.858 0.238 344 HA ALA 54 HA ALA 54 -1.144 -29.076 0.109 345 HB1 ALA 54 1HB ALA 54 0.623 -30.463 0.342 346 HB2 ALA 54 2HB ALA 54 1.498 -28.946 0.555 347 HB3 ALA 54 3HB ALA 54 1.004 -29.884 1.965 348 H GLN 55 H GLN 55 -2.121 -27.395 2.421 349 HA GLN 55 HA GLN 55 -3.525 -29.472 3.773 350 HB3 GLN 55 2HB GLN 55 -2.561 -28.363 6.057 351 HG3 GLN 55 2HG GLN 55 -0.841 -30.527 5.080 352 HE21 GLN 55 1HE2 GLN 55 -2.785 -32.265 6.655 353 HE22 GLN 55 2HE2 GLN 55 -2.398 -31.922 8.303 354 HA PRO 56 HA PRO 56 -5.563 -25.310 3.531 355 HB3 PRO 56 2HB PRO 56 -6.475 -25.801 1.480 356 HG3 PRO 56 2HG PRO 56 -6.765 -28.004 0.793 357 HD3 PRO 56 2HD PRO 56 -4.561 -28.084 1.463 358 H TRP 57 H TRP 57 -7.358 -24.539 4.738 359 HA TRP 57 HA TRP 57 -8.762 -24.442 6.524 360 HB3 TRP 57 2HB TRP 57 -10.231 -26.280 6.945 361 HD1 TRP 57 HD TRP 57 -9.974 -28.234 3.971 362 HE1 TRP 57 1HE TRP 57 -11.248 -27.189 1.992 363 HE3 TRP 57 3HE TRP 57 -10.584 -23.501 5.805 364 HZ2 TRP 57 2HZ TRP 57 -12.362 -24.690 1.301 365 HZ3 TRP 57 3HZ TRP 57 -11.765 -21.844 4.422 366 HH2 TRP 57 HH TRP 57 -12.635 -22.427 2.217 367 H LYS 58 H LYS 58 -5.872 -25.109 6.807 368 HA LYS 58 HA LYS 58 -5.877 -26.597 9.331 369 HB3 LYS 58 2HB LYS 58 -3.501 -25.620 7.739 370 HG3 LYS 58 2HG LYS 58 -3.220 -28.063 9.287 371 HD3 LYS 58 2HD LYS 58 -1.544 -26.285 8.157 372 HE3 LYS 58 2HE LYS 58 -1.933 -25.449 11.009 373 HZ1 LYS 58 3HZ LYS 58 0.356 -25.838 10.999 374 HZ2 LYS 58 1HZ LYS 58 0.219 -24.191 10.636 375 HZ3 LYS 58 2HZ LYS 58 0.547 -25.303 9.405 376 H GLY 59 H GLY 59 -5.561 -23.414 8.040 377 HA2 GLY 59 2HA GLY 59 -5.569 -22.272 10.673 378 HA3 GLY 59 3HA GLY 59 -4.028 -22.054 9.855 379 H ASP 60 H ASP 60 -4.270 -19.806 9.800 380 HA ASP 60 HA ASP 60 -5.560 -18.801 7.483 381 HB3 ASP 60 2HB ASP 60 -6.893 -17.110 9.134 382 HA PRO 61 HA PRO 61 -1.959 -16.414 9.183 383 HB3 PRO 61 2HB PRO 61 -0.457 -17.732 8.048 384 HG3 PRO 61 2HG PRO 61 -1.103 -18.942 6.171 385 HD3 PRO 61 2HD PRO 61 -2.771 -19.563 7.636 386 H VAL 62 H VAL 62 -3.519 -14.661 9.251 387 HA VAL 62 HA VAL 62 -4.238 -13.215 6.902 388 HB VAL 62 HB VAL 62 -5.566 -13.156 9.000 389 HG11 VAL 62 1HG1 VAL 62 -3.300 -12.832 10.334 390 HG12 VAL 62 2HG1 VAL 62 -3.727 -11.130 10.153 391 HG13 VAL 62 3HG1 VAL 62 -4.840 -12.238 10.956 392 HG21 VAL 62 3HG2 VAL 62 -6.416 -11.122 8.491 393 HG22 VAL 62 1HG2 VAL 62 -4.846 -10.323 8.590 394 HG23 VAL 62 2HG2 VAL 62 -5.284 -11.233 7.144 395 H GLU 63 H GLU 63 -1.508 -13.184 9.022 396 HA GLU 63 HA GLU 63 -0.548 -10.601 8.719 397 HB3 GLU 63 2HB GLU 63 1.747 -12.114 8.696 398 HG3 GLU 63 2HG GLU 63 0.067 -11.589 11.137 399 H GLN 64 H GLN 64 -0.618 -13.225 6.449 400 HA GLN 64 HA GLN 64 1.194 -11.864 4.616 401 HB3 GLN 64 2HB GLN 64 0.751 -13.898 3.173 402 HG3 GLN 64 2HG GLN 64 1.769 -15.520 5.015 403 HE21 GLN 64 1HE2 GLN 64 4.260 -14.055 5.631 404 HE22 GLN 64 2HE2 GLN 64 5.078 -13.887 4.120 405 H LEU 65 H LEU 65 -2.180 -12.324 5.168 406 HA LEU 65 HA LEU 65 -3.241 -11.958 2.626 407 HB3 LEU 65 2HB LEU 65 -4.911 -10.561 4.395 408 HG LEU 65 HG LEU 65 -5.075 -12.981 2.900 409 HD11 LEU 65 1HD1 LEU 65 -6.085 -13.198 5.732 410 HD12 LEU 65 2HD1 LEU 65 -4.820 -14.177 4.991 411 HD13 LEU 65 3HD1 LEU 65 -6.482 -14.304 4.416 412 HD21 LEU 65 3HD2 LEU 65 -7.601 -12.454 3.647 413 HD22 LEU 65 1HD2 LEU 65 -6.752 -11.559 2.387 414 HD23 LEU 65 2HD2 LEU 65 -6.846 -10.904 4.021 415 H VAL 66 H VAL 66 -1.689 -9.703 4.738 416 HA VAL 66 HA VAL 66 -2.392 -7.503 2.905 417 HB VAL 66 HB VAL 66 -1.537 -7.286 5.796 418 HG11 VAL 66 1HG1 VAL 66 -0.930 -5.231 5.126 419 HG12 VAL 66 2HG1 VAL 66 -1.842 -5.345 3.619 420 HG13 VAL 66 3HG1 VAL 66 -2.663 -4.902 5.117 421 HG21 VAL 66 3HG2 VAL 66 -4.071 -7.886 4.676 422 HG22 VAL 66 1HG2 VAL 66 -3.663 -7.574 6.363 423 HG23 VAL 66 2HG2 VAL 66 -4.138 -6.241 5.310 424 H ARG 67 H ARG 67 -0.799 -6.709 1.709 425 HA ARG 67 HA ARG 67 1.974 -7.312 2.494 426 HB3 ARG 67 2HB ARG 67 1.647 -6.393 -0.238 427 HG3 ARG 67 2HG ARG 67 3.177 -8.321 1.199 428 HD3 ARG 67 2HD ARG 67 1.431 -9.376 -0.949 429 HE ARG 67 HE ARG 67 4.243 -9.629 -1.184 430 HH11 ARG 67 1HH1 ARG 67 1.286 -11.455 -1.395 431 HH12 ARG 67 2HH1 ARG 67 1.929 -12.618 -2.507 432 HH21 ARG 67 1HH2 ARG 67 5.101 -11.153 -2.649 433 HH22 ARG 67 2HH2 ARG 67 4.099 -12.445 -3.219 434 H HIS 68 H HIS 68 3.049 -5.654 3.315 435 HA HIS 68 HA HIS 68 2.425 -2.945 2.334 436 HB3 HIS 68 2HB HIS 68 3.311 -3.824 5.089 437 HD1 HIS 68 1HD HIS 68 5.066 -2.207 5.813 438 HD2 HIS 68 2HD HIS 68 1.914 -0.339 3.856 439 HE1 HIS 68 1HE HIS 68 5.494 0.259 6.052 440 H PHE 69 H PHE 69 4.019 -1.913 1.335 441 HA PHE 69 HA PHE 69 6.795 -2.688 1.919 442 HB3 PHE 69 2HB PHE 69 7.161 -2.166 -0.612 443 HD1 PHE 69 2HD PHE 69 8.209 -4.099 1.151 444 HD2 PHE 69 1HD PHE 69 5.034 -4.538 -1.650 445 HE1 PHE 69 2HE PHE 69 8.653 -6.516 1.032 446 HE2 PHE 69 1HE PHE 69 5.473 -6.956 -1.772 447 HZ PHE 69 HZ PHE 69 7.285 -7.949 -0.432 448 H LEU 70 H LEU 70 8.378 -1.051 1.527 449 HA LEU 70 HA LEU 70 7.273 1.644 1.822 450 HB3 LEU 70 2HB LEU 70 8.741 1.166 3.576 451 HG LEU 70 HG LEU 70 10.304 -0.363 1.650 452 HD11 LEU 70 1HD1 LEU 70 11.616 1.741 3.295 453 HD12 LEU 70 2HD1 LEU 70 12.027 1.141 1.689 454 HD13 LEU 70 3HD1 LEU 70 12.413 0.178 3.115 455 HD21 LEU 70 3HD2 LEU 70 11.136 -1.167 4.047 456 HD22 LEU 70 1HD2 LEU 70 9.585 -1.663 3.368 457 HD23 LEU 70 2HD2 LEU 70 9.653 -0.349 4.542 458 H ILE 71 H ILE 71 7.370 3.072 0.223 459 HA ILE 71 HA ILE 71 9.022 2.440 -2.118 460 HB ILE 71 HB ILE 71 6.910 4.576 -2.028 461 HG13 ILE 71 2HG1 ILE 71 6.566 1.663 -1.934 462 HG21 ILE 71 1HG2 ILE 71 7.866 2.864 -4.313 463 HG22 ILE 71 2HG2 ILE 71 6.859 4.308 -4.396 464 HG23 ILE 71 3HG2 ILE 71 8.550 4.440 -3.916 465 HD11 ILE 71 3HD1 ILE 71 4.114 3.095 -1.890 466 HD12 ILE 71 1HD1 ILE 71 4.930 2.248 -0.575 467 HD13 ILE 71 2HD1 ILE 71 5.289 3.947 -0.887 468 H GLU 72 H GLU 72 10.601 3.772 -2.842 469 HA GLU 72 HA GLU 72 11.196 6.129 -1.185 470 HB3 GLU 72 2HB GLU 72 13.234 4.969 -3.019 471 HG3 GLU 72 2HG GLU 72 13.934 5.440 -0.235 472 H THR 73 H THR 73 11.376 8.109 -2.080 473 HA THR 73 HA THR 73 11.093 8.304 -5.009 474 HB THR 73 HB THR 73 9.011 9.006 -4.039 475 HG1 THR 73 1HG THR 73 9.559 10.352 -5.705 476 HG21 THR 73 3HG2 THR 73 9.755 11.317 -2.549 477 HG22 THR 73 1HG2 THR 73 10.653 9.937 -1.919 478 HG23 THR 73 2HG2 THR 73 8.892 9.882 -1.995 479 H GLY 74 H GLY 74 12.757 9.257 -5.972 480 HA2 GLY 74 2HA GLY 74 14.203 11.373 -4.519 481 HA3 GLY 74 3HA GLY 74 15.093 10.061 -5.279 482 HA PRO 75 HA PRO 75 14.884 13.524 -8.325 483 HB3 PRO 75 2HB PRO 75 16.993 14.223 -7.736 484 HG3 PRO 75 2HG PRO 75 18.505 12.765 -6.738 485 HD3 PRO 75 2HD PRO 75 16.663 12.403 -5.400 486 H LYS 76 H LYS 76 15.303 10.181 -8.382 487 HA LYS 76 HA LYS 76 15.407 10.093 -11.319 488 HB3 LYS 76 2HB LYS 76 17.080 8.752 -10.032 489 HG3 LYS 76 2HG LYS 76 14.829 7.902 -8.562 490 HD3 LYS 76 2HD LYS 76 14.987 6.144 -10.577 491 HE3 LYS 76 2HE LYS 76 16.570 4.708 -8.500 492 HZ1 LYS 76 3HZ LYS 76 15.534 3.545 -10.391 493 HZ2 LYS 76 1HZ LYS 76 17.217 3.384 -10.370 494 HZ3 LYS 76 2HZ LYS 76 16.483 4.452 -11.457 495 H GLY 77 H GLY 77 13.202 10.112 -8.862 496 HA2 GLY 77 2HA GLY 77 10.858 10.003 -9.697 497 HA3 GLY 77 3HA GLY 77 11.303 8.463 -10.415 498 H VAL 78 H VAL 78 9.671 7.370 -9.287 499 HA VAL 78 HA VAL 78 10.298 6.919 -6.447 500 HB VAL 78 HB VAL 78 8.308 8.308 -6.513 501 HG11 VAL 78 1HG1 VAL 78 7.626 7.646 -8.821 502 HG12 VAL 78 2HG1 VAL 78 6.996 6.142 -8.146 503 HG13 VAL 78 3HG1 VAL 78 6.302 7.689 -7.657 504 HG21 VAL 78 3HG2 VAL 78 6.827 6.920 -5.211 505 HG22 VAL 78 1HG2 VAL 78 7.551 5.458 -5.883 506 HG23 VAL 78 2HG2 VAL 78 8.497 6.503 -4.823 507 H LYS 79 H LYS 79 10.656 4.853 -5.987 508 HA LYS 79 HA LYS 79 9.321 2.774 -7.566 509 HB3 LYS 79 2HB LYS 79 11.721 3.293 -8.360 510 HG3 LYS 79 2HG LYS 79 12.503 1.513 -6.081 511 HD3 LYS 79 2HD LYS 79 14.216 3.392 -7.680 512 HE3 LYS 79 2HE LYS 79 15.042 0.741 -6.593 513 HZ1 LYS 79 3HZ LYS 79 16.622 3.194 -6.400 514 HZ2 LYS 79 1HZ LYS 79 16.409 2.518 -7.936 515 HZ3 LYS 79 2HZ LYS 79 17.124 1.607 -6.704 516 H ILE 80 H ILE 80 8.734 0.988 -6.424 517 HA ILE 80 HA ILE 80 8.732 1.170 -3.578 518 HB ILE 80 HB ILE 80 7.979 -1.242 -5.226 519 HG13 ILE 80 2HG1 ILE 80 6.731 1.387 -5.035 520 HG21 ILE 80 1HG2 ILE 80 8.079 -1.838 -2.955 521 HG22 ILE 80 2HG2 ILE 80 7.344 -0.321 -2.439 522 HG23 ILE 80 3HG2 ILE 80 6.372 -1.532 -3.275 523 HD11 ILE 80 3HD1 ILE 80 5.904 -1.013 -6.646 524 HD12 ILE 80 1HD1 ILE 80 5.462 0.670 -6.925 525 HD13 ILE 80 2HD1 ILE 80 7.133 0.149 -7.146 526 H LYS 81 H LYS 81 10.358 0.636 -2.294 527 HA LYS 81 HA LYS 81 12.524 -1.026 -3.230 528 HB3 LYS 81 2HB LYS 81 12.085 0.194 -0.498 529 HG3 LYS 81 2HG LYS 81 13.862 -1.655 -0.836 530 HD3 LYS 81 2HD LYS 81 15.752 0.433 -1.619 531 HE3 LYS 81 2HE LYS 81 15.244 -2.431 -2.402 532 HZ1 LYS 81 3HZ LYS 81 17.671 -0.922 -3.136 533 HZ2 LYS 81 1HZ LYS 81 16.329 -0.952 -4.166 534 HZ3 LYS 81 2HZ LYS 81 17.108 -2.394 -3.751 535 H GLY 82 H GLY 82 11.617 -3.078 -3.484 536 HA2 GLY 82 2HA GLY 82 11.708 -4.752 -1.211 537 HA3 GLY 82 3HA GLY 82 10.031 -4.429 -1.624 538 H CYS 83 H CYS 83 10.530 -4.265 -4.482 539 HA CYS 83 HA CYS 83 10.703 -7.141 -5.003 540 HB3 CYS 83 2HB CYS 83 9.702 -6.497 -7.232 541 HG CYS 83 HG CYS 83 7.476 -5.172 -5.115 542 HA PRO 84 HA PRO 84 14.549 -6.915 -7.103 543 HB3 PRO 84 2HB PRO 84 14.429 -9.199 -7.319 544 HG3 PRO 84 2HG PRO 84 12.401 -10.261 -7.730 545 HD3 PRO 84 2HD PRO 84 11.799 -8.933 -5.944 546 H SER 85 H SER 85 11.614 -6.644 -9.020 547 HA SER 85 HA SER 85 12.613 -5.955 -11.493 548 HB3 SER 85 2HB SER 85 10.383 -4.240 -10.851 549 HG SER 85 HG SER 85 10.269 -4.984 -12.834 550 H GLU 86 H GLU 86 12.098 -3.854 -8.684 551 HA GLU 86 HA GLU 86 12.925 -1.806 -8.140 552 HB3 GLU 86 2HB GLU 86 15.041 -1.235 -9.767 553 HG3 GLU 86 2HG GLU 86 14.749 -1.949 -7.154 554 HA PRO 87 HA PRO 87 10.663 0.037 -11.732 555 HB3 PRO 87 2HB PRO 87 8.638 -0.343 -10.715 556 HG3 PRO 87 2HG PRO 87 8.484 -0.605 -8.410 557 HD3 PRO 87 2HD PRO 87 10.188 -2.090 -8.865 558 H TYR 88 H TYR 88 9.641 2.554 -11.364 559 HA TYR 88 HA TYR 88 11.046 4.418 -9.916 560 HB3 TYR 88 2HB TYR 88 13.136 3.982 -10.800 561 HD1 TYR 88 1HD TYR 88 10.790 3.801 -13.697 562 HD2 TYR 88 2HD TYR 88 14.521 2.596 -12.043 563 HE1 TYR 88 1HE TYR 88 11.148 2.304 -15.614 564 HE2 TYR 88 2HE TYR 88 14.890 1.096 -13.957 565 HH TYR 88 HH TYR 88 12.942 1.198 -16.776 566 H PHE 89 H PHE 89 8.535 4.473 -10.522 567 HA PHE 89 HA PHE 89 7.799 5.713 -12.956 568 HB3 PHE 89 2HB PHE 89 5.645 6.129 -11.875 569 HD1 PHE 89 2HD PHE 89 6.908 3.473 -9.692 570 HD2 PHE 89 1HD PHE 89 5.071 4.386 -13.421 571 HE1 PHE 89 2HE PHE 89 6.327 1.100 -9.981 572 HE2 PHE 89 1HE PHE 89 4.486 2.014 -13.716 573 HZ PHE 89 HZ PHE 89 5.114 0.368 -11.996 574 H GLY 90 H GLY 90 6.239 7.874 -12.292 575 HA2 GLY 90 2HA GLY 90 8.281 9.909 -11.933 576 HA3 GLY 90 3HA GLY 90 6.616 10.175 -12.430 577 H SER 91 H SER 91 5.046 9.358 -10.528 578 HA SER 91 HA SER 91 6.067 10.285 -7.949 579 HB3 SER 91 2HB SER 91 3.991 11.706 -7.677 580 HG SER 91 HG SER 91 4.895 13.425 -8.796 581 H LEU 92 H LEU 92 4.260 10.038 -6.239 582 HA LEU 92 HA LEU 92 3.606 7.371 -5.973 583 HB3 LEU 92 2HB LEU 92 1.769 8.341 -4.379 584 HG LEU 92 HG LEU 92 4.445 7.800 -3.927 585 HD11 LEU 92 1HD1 LEU 92 5.349 9.888 -3.825 586 HD12 LEU 92 2HD1 LEU 92 4.784 9.740 -2.162 587 HD13 LEU 92 3HD1 LEU 92 3.832 10.645 -3.338 588 HD21 LEU 92 3HD2 LEU 92 3.712 7.239 -1.851 589 HD22 LEU 92 1HD2 LEU 92 2.146 7.409 -2.645 590 HD23 LEU 92 2HD2 LEU 92 2.779 8.724 -1.655 591 H SER 93 H SER 93 1.728 9.979 -7.410 592 HA SER 93 HA SER 93 -0.676 8.495 -7.711 593 HB3 SER 93 2HB SER 93 -0.897 10.377 -9.639 594 HG SER 93 HG SER 93 -2.232 10.334 -7.845 595 H ALA 94 H ALA 94 2.187 8.936 -9.685 596 HA ALA 94 HA ALA 94 1.156 7.833 -12.079 597 HB1 ALA 94 1HB ALA 94 3.274 9.227 -11.754 598 HB2 ALA 94 2HB ALA 94 4.047 7.713 -11.284 599 HB3 ALA 94 3HB ALA 94 3.349 7.884 -12.894 600 H LEU 95 H LEU 95 3.004 6.422 -9.395 601 HA LEU 95 HA LEU 95 3.075 3.805 -10.528 602 HB3 LEU 95 2HB LEU 95 4.777 4.416 -8.980 603 HG LEU 95 HG LEU 95 3.201 5.957 -7.562 604 HD11 LEU 95 1HD1 LEU 95 3.030 4.416 -5.321 605 HD12 LEU 95 2HD1 LEU 95 2.591 3.268 -6.585 606 HD13 LEU 95 3HD1 LEU 95 1.691 4.774 -6.411 607 HD21 LEU 95 3HD2 LEU 95 4.931 4.888 -5.597 608 HD22 LEU 95 1HD2 LEU 95 5.167 6.317 -6.603 609 HD23 LEU 95 2HD2 LEU 95 5.748 4.746 -7.155 610 H VAL 96 H VAL 96 0.878 5.532 -8.440 611 HA VAL 96 HA VAL 96 -0.559 3.268 -7.492 612 HB VAL 96 HB VAL 96 -1.076 6.212 -7.537 613 HG11 VAL 96 1HG1 VAL 96 -3.246 5.660 -6.302 614 HG12 VAL 96 2HG1 VAL 96 -3.246 5.496 -8.059 615 HG13 VAL 96 3HG1 VAL 96 -3.113 4.063 -7.039 616 HG21 VAL 96 3HG2 VAL 96 -0.228 6.028 -5.492 617 HG22 VAL 96 1HG2 VAL 96 -1.574 4.981 -5.039 618 HG23 VAL 96 2HG2 VAL 96 -0.091 4.280 -5.687 619 H SER 97 H SER 97 -1.026 5.510 -10.190 620 HA SER 97 HA SER 97 -3.501 4.369 -11.030 621 HB3 SER 97 2HB SER 97 -2.533 5.626 -13.263 622 HG SER 97 HG SER 97 -4.372 6.450 -12.586 623 H GLN 98 H GLN 98 -0.125 3.916 -11.938 624 HA GLN 98 HA GLN 98 -0.670 2.190 -14.141 625 HB3 GLN 98 2HB GLN 98 1.776 1.627 -13.938 626 HG3 GLN 98 2HG GLN 98 2.456 4.221 -14.015 627 HE21 GLN 98 1HE2 GLN 98 0.015 4.056 -16.301 628 HE22 GLN 98 2HE2 GLN 98 0.922 3.369 -17.601 629 H HIS 99 H HIS 99 0.033 1.704 -10.726 630 HA HIS 99 HA HIS 99 0.425 -1.076 -10.791 631 HB3 HIS 99 2HB HIS 99 -0.540 -0.789 -8.325 632 HD1 HIS 99 1HD HIS 99 1.338 -0.983 -6.626 633 HD2 HIS 99 2HD HIS 99 2.610 0.428 -10.321 634 HE1 HIS 99 1HE HIS 99 3.851 -1.027 -6.534 635 H SER 100 H SER 100 -2.387 0.791 -11.238 636 HA SER 100 HA SER 100 -4.180 -1.402 -10.523 637 HB3 SER 100 2HB SER 100 -4.595 1.098 -9.973 638 HG SER 100 HG SER 100 -4.255 1.676 -12.273 639 H ILE 101 H ILE 101 -2.302 -0.888 -13.032 640 HA ILE 101 HA ILE 101 -4.266 -1.950 -14.946 641 HB ILE 101 HB ILE 101 -2.051 -0.049 -15.709 642 HG13 ILE 101 2HG1 ILE 101 -3.734 1.109 -14.342 643 HG21 ILE 101 1HG2 ILE 101 -2.908 -0.105 -17.875 644 HG22 ILE 101 2HG2 ILE 101 -2.997 -1.786 -17.351 645 HG23 ILE 101 3HG2 ILE 101 -4.448 -0.783 -17.351 646 HD11 ILE 101 3HD1 ILE 101 -2.821 2.067 -16.627 647 HD12 ILE 101 1HD1 ILE 101 -4.524 1.954 -17.068 648 HD13 ILE 101 2HD1 ILE 101 -4.036 2.918 -15.673 649 H SER 102 H SER 102 -0.905 -1.725 -13.925 650 HA SER 102 HA SER 102 -0.434 -4.420 -14.890 651 HB3 SER 102 2HB SER 102 1.330 -2.140 -15.820 652 HG SER 102 HG SER 102 2.494 -3.679 -16.795 653 HA PRO 103 HA PRO 103 1.561 -3.533 -10.842 654 HB3 PRO 103 2HB PRO 103 -0.157 -4.605 -9.757 655 HG3 PRO 103 2HG PRO 103 -1.459 -6.193 -10.848 656 HD3 PRO 103 2HD PRO 103 -1.552 -4.480 -12.387 657 H ILE 104 H ILE 104 3.670 -3.875 -10.539 658 HA ILE 104 HA ILE 104 5.252 -5.409 -12.246 659 HB ILE 104 HB ILE 104 5.906 -4.470 -9.451 660 HG13 ILE 104 2HG1 ILE 104 5.449 -3.029 -11.842 661 HG21 ILE 104 1HG2 ILE 104 8.252 -4.676 -10.154 662 HG22 ILE 104 2HG2 ILE 104 7.419 -6.230 -10.159 663 HG23 ILE 104 3HG2 ILE 104 7.720 -5.387 -11.678 664 HD11 ILE 104 3HD1 ILE 104 5.005 -1.794 -9.984 665 HD12 ILE 104 1HD1 ILE 104 6.430 -2.371 -9.121 666 HD13 ILE 104 2HD1 ILE 104 6.599 -1.164 -10.395 667 H SER 105 H SER 105 5.053 -6.051 -8.755 668 HA SER 105 HA SER 105 4.914 -8.928 -9.376 669 HB3 SER 105 2HB SER 105 6.239 -8.104 -6.851 670 HG SER 105 HG SER 105 7.662 -9.828 -7.665 671 H LEU 106 H LEU 106 2.865 -6.853 -8.642 672 HA LEU 106 HA LEU 106 1.997 -7.573 -5.990 673 HB3 LEU 106 2HB LEU 106 0.377 -5.957 -6.211 674 HG LEU 106 HG LEU 106 2.301 -5.009 -8.335 675 HD11 LEU 106 1HD1 LEU 106 -0.114 -3.914 -7.436 676 HD12 LEU 106 2HD1 LEU 106 1.127 -3.132 -8.414 677 HD13 LEU 106 3HD1 LEU 106 1.163 -2.979 -6.657 678 HD21 LEU 106 3HD2 LEU 106 3.393 -3.826 -6.456 679 HD22 LEU 106 1HD2 LEU 106 3.512 -5.582 -6.330 680 HD23 LEU 106 2HD2 LEU 106 2.351 -4.703 -5.334 681 HA PRO 107 HA PRO 107 -0.551 -11.018 -6.941 682 HB3 PRO 107 2HB PRO 107 -0.940 -11.202 -4.684 683 HG3 PRO 107 2HG PRO 107 -1.172 -9.312 -3.348 684 HD3 PRO 107 2HD PRO 107 0.780 -8.781 -4.452 685 H CYS 108 H CYS 108 -1.866 -7.805 -7.093 686 HA CYS 108 HA CYS 108 -3.427 -8.397 -9.380 687 HB3 CYS 108 2HB CYS 108 -5.311 -7.450 -7.344 688 HG CYS 108 HG CYS 108 -5.927 -10.289 -9.037 689 H CYS 109 H CYS 109 -4.644 -6.487 -10.150 690 HA CYS 109 HA CYS 109 -3.088 -4.155 -9.962 691 HB3 CYS 109 2HB CYS 109 -4.749 -3.114 -11.364 692 HG CYS 109 HG CYS 109 -3.680 -6.164 -12.088 693 H LEU 110 H LEU 110 -3.156 -2.435 -8.651 694 HA LEU 110 HA LEU 110 -4.536 -2.481 -6.227 695 HB3 LEU 110 2HB LEU 110 -3.217 -0.244 -7.741 696 HG LEU 110 HG LEU 110 -4.614 -0.082 -5.124 697 HD11 LEU 110 1HD1 LEU 110 -2.596 0.276 -4.131 698 HD12 LEU 110 2HD1 LEU 110 -2.909 1.901 -4.738 699 HD13 LEU 110 3HD1 LEU 110 -1.830 0.823 -5.623 700 HD21 LEU 110 3HD2 LEU 110 -5.668 1.423 -6.389 701 HD22 LEU 110 1HD2 LEU 110 -4.398 1.407 -7.612 702 HD23 LEU 110 2HD2 LEU 110 -4.235 2.432 -6.186 703 H ARG 111 H ARG 111 -6.479 -1.765 -5.564 704 HA ARG 111 HA ARG 111 -8.334 -0.829 -7.602 705 HB3 ARG 111 2HB ARG 111 -10.041 -1.154 -5.797 706 HG3 ARG 111 2HG ARG 111 -9.916 -3.590 -5.657 707 HD3 ARG 111 2HD ARG 111 -8.937 -3.206 -8.396 708 HE ARG 111 HE ARG 111 -10.448 -4.928 -8.389 709 HH11 ARG 111 1HH1 ARG 111 -11.817 -2.192 -6.728 710 HH12 ARG 111 2HH1 ARG 111 -13.396 -2.894 -6.602 711 HH21 ARG 111 1HH2 ARG 111 -12.523 -5.864 -8.229 712 HH22 ARG 111 2HH2 ARG 111 -13.796 -4.982 -7.455 713 H ILE 112 H ILE 112 -8.936 1.222 -7.832 714 HA ILE 112 HA ILE 112 -8.317 3.106 -5.651 715 HB ILE 112 HB ILE 112 -8.421 4.811 -7.636 716 HG13 ILE 112 2HG1 ILE 112 -9.129 2.978 -9.240 717 HG21 ILE 112 1HG2 ILE 112 -6.231 4.993 -7.266 718 HG22 ILE 112 2HG2 ILE 112 -6.398 3.579 -6.226 719 HG23 ILE 112 3HG2 ILE 112 -5.907 3.383 -7.909 720 HD11 ILE 112 3HD1 ILE 112 -8.444 4.333 -10.840 721 HD12 ILE 112 1HD1 ILE 112 -7.352 5.121 -9.701 722 HD13 ILE 112 2HD1 ILE 112 -6.792 3.745 -10.653 723 HA PRO 113 HA PRO 113 -12.527 4.320 -5.417 724 HB3 PRO 113 2HB PRO 113 -11.908 5.772 -3.748 725 HG3 PRO 113 2HG PRO 113 -9.897 6.936 -3.856 726 HD3 PRO 113 2HD PRO 113 -9.143 4.800 -4.283 727 H SER 114 H SER 114 -13.922 6.431 -6.158 728 HA SER 114 HA SER 114 -13.427 6.719 -9.049 729 HB3 SER 114 2HB SER 114 -16.128 6.667 -7.683 730 HG SER 114 HG SER 114 -15.819 6.109 -10.376 731 H LYS 115 H LYS 115 -12.300 8.529 -7.334 732 HA LYS 115 HA LYS 115 -12.147 10.744 -6.822 733 HB3 LYS 115 2HB LYS 115 -13.746 12.034 -8.692 734 HG3 LYS 115 2HG LYS 115 -10.907 11.071 -8.879 735 HD3 LYS 115 2HD LYS 115 -11.941 13.256 -10.613 736 HE3 LYS 115 2HE LYS 115 -9.495 12.140 -10.242 737 HZ1 LYS 115 3HZ LYS 115 -9.615 10.130 -11.248 738 HZ2 LYS 115 1HZ LYS 115 -9.306 11.056 -12.630 739 HZ3 LYS 115 2HZ LYS 115 -10.887 10.572 -12.273 Start of MODEL 15 1 H1 MET 1 H MET 1 -19.087 6.278 0.552 2 HA MET 1 HA MET 1 -17.499 8.445 -0.625 3 HB3 MET 1 2HB MET 1 -17.263 9.304 1.625 4 HG3 MET 1 2HG MET 1 -19.793 8.968 0.398 5 HE1 MET 1 3HE MET 1 -21.634 10.091 4.120 6 HE2 MET 1 1HE MET 1 -19.893 10.101 4.397 7 HE3 MET 1 2HE MET 1 -20.569 10.958 3.013 8 H ASP 2 H ASP 2 -15.622 7.642 -1.369 9 HA ASP 2 HA ASP 2 -13.727 6.604 0.533 10 HB3 ASP 2 2HB ASP 2 -13.259 4.638 -1.173 11 H THR 3 H THR 3 -12.733 8.593 -0.103 12 HA THR 3 HA THR 3 -11.598 8.594 -2.816 13 HB THR 3 HB THR 3 -10.958 11.036 -1.620 14 HG1 THR 3 1HG THR 3 -12.503 11.433 -0.243 15 HG21 THR 3 3HG2 THR 3 -13.211 10.318 -3.498 16 HG22 THR 3 1HG2 THR 3 -11.559 10.728 -3.954 17 HG23 THR 3 2HG2 THR 3 -12.602 11.949 -3.223 18 H SER 4 H SER 4 -9.363 9.552 -2.967 19 HA SER 4 HA SER 4 -7.537 7.984 -1.561 20 HB3 SER 4 2HB SER 4 -7.103 9.097 -3.757 21 HG SER 4 HG SER 4 -6.129 11.392 -2.733 22 H LYS 5 H LYS 5 -8.886 11.113 -0.830 23 HA LYS 5 HA LYS 5 -6.997 11.930 1.106 24 HB3 LYS 5 2HB LYS 5 -9.201 13.199 1.945 25 HG3 LYS 5 2HG LYS 5 -8.158 14.001 -0.739 26 HD3 LYS 5 2HD LYS 5 -9.561 15.241 1.465 27 HE3 LYS 5 2HE LYS 5 -7.005 16.529 0.515 28 HZ1 LYS 5 3HZ LYS 5 -9.438 17.722 1.295 29 HZ2 LYS 5 1HZ LYS 5 -7.989 18.468 0.844 30 HZ3 LYS 5 2HZ LYS 5 -8.259 18.055 2.462 31 H PHE 6 H PHE 6 -9.658 9.713 1.192 32 HA PHE 6 HA PHE 6 -9.725 9.632 4.096 33 HB3 PHE 6 2HB PHE 6 -11.243 7.500 3.129 34 HD1 PHE 6 2HD PHE 6 -12.020 7.795 5.409 35 HD2 PHE 6 1HD PHE 6 -12.595 10.821 2.471 36 HE1 PHE 6 2HE PHE 6 -13.673 8.891 6.866 37 HE2 PHE 6 1HE PHE 6 -14.249 11.921 3.924 38 HZ PHE 6 HZ PHE 6 -14.790 10.956 6.124 39 H TRP 7 H TRP 7 -8.361 7.869 1.432 40 HA TRP 7 HA TRP 7 -7.598 5.630 3.141 41 HB3 TRP 7 2HB TRP 7 -6.525 4.844 0.916 42 HD1 TRP 7 HD TRP 7 -9.877 5.607 -0.469 43 HE1 TRP 7 1HE TRP 7 -11.496 3.656 -0.022 44 HE3 TRP 7 3HE TRP 7 -7.081 2.989 2.918 45 HZ2 TRP 7 2HZ TRP 7 -11.578 1.318 1.557 46 HZ3 TRP 7 3HZ TRP 7 -8.002 0.906 3.849 47 HH2 TRP 7 HH TRP 7 -10.204 0.090 3.182 48 H TYR 8 H TYR 8 -6.419 8.634 2.445 49 HA TYR 8 HA TYR 8 -3.619 7.777 2.755 50 HB3 TYR 8 2HB TYR 8 -4.798 10.271 1.527 51 HD1 TYR 8 1HD TYR 8 -1.617 8.681 2.623 52 HD2 TYR 8 2HD TYR 8 -3.529 12.206 1.205 53 HE1 TYR 8 1HE TYR 8 0.450 9.955 3.022 54 HE2 TYR 8 2HE TYR 8 -1.468 13.490 1.597 55 HH TYR 8 HH TYR 8 0.645 13.421 2.262 56 H LYS 9 H LYS 9 -3.043 7.862 4.824 57 HA LYS 9 HA LYS 9 -3.536 10.337 6.307 58 HB3 LYS 9 2HB LYS 9 -4.026 8.944 8.360 59 HG3 LYS 9 2HG LYS 9 -6.371 8.313 7.671 60 HD3 LYS 9 2HD LYS 9 -6.462 10.957 6.706 61 HE3 LYS 9 2HE LYS 9 -7.926 9.906 8.405 62 HZ1 LYS 9 3HZ LYS 9 -5.642 9.258 9.696 63 HZ2 LYS 9 1HZ LYS 9 -7.189 9.221 10.381 64 HZ3 LYS 9 2HZ LYS 9 -6.196 10.573 10.604 65 HA PRO 10 HA PRO 10 0.847 9.525 6.838 66 HB3 PRO 10 2HB PRO 10 1.195 11.696 6.173 67 HG3 PRO 10 2HG PRO 10 -0.414 13.335 6.537 68 HD3 PRO 10 2HD PRO 10 -1.720 11.706 5.562 69 H HIS 11 H HIS 11 -1.319 10.882 9.288 70 HA HIS 11 HA HIS 11 0.413 10.279 11.483 71 HB3 HIS 11 2HB HIS 11 -2.529 10.645 11.856 72 HD1 HIS 11 1HD HIS 11 -0.632 13.439 13.044 73 HD2 HIS 11 2HD HIS 11 -1.357 9.579 14.401 74 HE1 HIS 11 1HE HIS 11 -0.066 13.470 15.494 75 H LEU 12 H LEU 12 -1.438 8.356 9.504 76 HA LEU 12 HA LEU 12 -2.490 6.504 11.395 77 HB3 LEU 12 2HB LEU 12 -1.826 5.618 8.645 78 HG LEU 12 HG LEU 12 -3.278 4.194 10.016 79 HD11 LEU 12 1HD1 LEU 12 -5.638 5.047 10.387 80 HD12 LEU 12 2HD1 LEU 12 -4.991 6.661 10.097 81 HD13 LEU 12 3HD1 LEU 12 -4.387 5.698 11.445 82 HD21 LEU 12 3HD2 LEU 12 -5.320 4.926 8.160 83 HD22 LEU 12 1HD2 LEU 12 -4.207 3.559 8.105 84 HD23 LEU 12 2HD2 LEU 12 -3.744 5.102 7.388 85 H SER 13 H SER 13 -1.716 4.500 12.025 86 HA SER 13 HA SER 13 1.187 4.187 11.781 87 HB3 SER 13 2HB SER 13 1.161 3.464 13.910 88 HG SER 13 HG SER 13 -0.503 5.102 14.001 89 H ARG 14 H ARG 14 2.070 2.011 11.513 90 HA ARG 14 HA ARG 14 1.098 0.723 9.243 91 HB3 ARG 14 2HB ARG 14 2.896 -0.416 11.389 92 HG3 ARG 14 2HG ARG 14 3.351 -1.155 8.595 93 HD3 ARG 14 2HD ARG 14 3.004 -3.299 10.489 94 HE ARG 14 HE ARG 14 4.694 -3.892 9.083 95 HH11 ARG 14 1HH1 ARG 14 5.232 -0.618 10.138 96 HH12 ARG 14 2HH1 ARG 14 6.767 -0.477 9.348 97 HH21 ARG 14 1HH2 ARG 14 6.714 -3.718 8.038 98 HH22 ARG 14 2HH2 ARG 14 7.608 -2.241 8.152 99 H ASP 15 H ASP 15 0.833 -0.238 12.657 100 HA ASP 15 HA ASP 15 -0.551 -2.627 12.286 101 HB3 ASP 15 2HB ASP 15 -1.243 -0.910 14.626 102 H GLN 16 H GLN 16 -1.766 0.681 12.601 103 HA GLN 16 HA GLN 16 -4.505 0.048 12.654 104 HB3 GLN 16 2HB GLN 16 -4.575 2.488 11.569 105 HG3 GLN 16 2HG GLN 16 -4.054 3.445 13.866 106 HE21 GLN 16 1HE2 GLN 16 -6.026 4.206 14.099 107 HE22 GLN 16 2HE2 GLN 16 -7.471 3.269 14.226 108 H ALA 17 H ALA 17 -2.296 0.731 9.979 109 HA ALA 17 HA ALA 17 -4.228 0.749 7.927 110 HB1 ALA 17 1HB ALA 17 -2.386 0.549 6.397 111 HB2 ALA 17 2HB ALA 17 -1.921 1.633 7.709 112 HB3 ALA 17 3HB ALA 17 -1.326 -0.027 7.684 113 H ILE 18 H ILE 18 -2.287 -1.845 9.340 114 HA ILE 18 HA ILE 18 -3.034 -3.857 7.502 115 HB ILE 18 HB ILE 18 -2.155 -4.153 10.377 116 HG13 ILE 18 2HG1 ILE 18 -0.634 -2.961 8.654 117 HG21 ILE 18 1HG2 ILE 18 -1.429 -6.436 9.547 118 HG22 ILE 18 2HG2 ILE 18 -3.161 -6.189 9.758 119 HG23 ILE 18 3HG2 ILE 18 -2.454 -6.139 8.143 120 HD11 ILE 18 3HD1 ILE 18 0.705 -3.455 10.378 121 HD12 ILE 18 1HD1 ILE 18 0.074 -5.094 10.536 122 HD13 ILE 18 2HD1 ILE 18 1.292 -4.731 9.313 123 H ALA 19 H ALA 19 -4.384 -2.837 10.611 124 HA ALA 19 HA ALA 19 -6.328 -4.887 10.794 125 HB1 ALA 19 1HB ALA 19 -6.893 -2.261 12.039 126 HB2 ALA 19 2HB ALA 19 -6.980 -3.885 12.722 127 HB3 ALA 19 3HB ALA 19 -5.417 -3.088 12.538 128 H LEU 20 H LEU 20 -6.329 -1.679 9.345 129 HA LEU 20 HA LEU 20 -9.129 -1.628 8.796 130 HB3 LEU 20 2HB LEU 20 -7.410 -0.033 7.045 131 HG LEU 20 HG LEU 20 -9.692 0.561 8.884 132 HD11 LEU 20 1HD1 LEU 20 -8.944 2.583 9.391 133 HD12 LEU 20 2HD1 LEU 20 -8.841 2.965 7.674 134 HD13 LEU 20 3HD1 LEU 20 -7.448 2.277 8.506 135 HD21 LEU 20 3HD2 LEU 20 -9.128 0.556 5.991 136 HD22 LEU 20 1HD2 LEU 20 -10.130 1.883 6.580 137 HD23 LEU 20 2HD2 LEU 20 -10.624 0.213 6.860 138 H LEU 21 H LEU 21 -6.303 -2.801 7.117 139 HA LEU 21 HA LEU 21 -7.602 -3.120 4.583 140 HB3 LEU 21 2HB LEU 21 -5.519 -4.725 4.311 141 HG LEU 21 HG LEU 21 -5.133 -1.741 4.551 142 HD11 LEU 21 1HD1 LEU 21 -3.457 -3.872 3.235 143 HD12 LEU 21 2HD1 LEU 21 -3.006 -2.860 4.606 144 HD13 LEU 21 3HD1 LEU 21 -3.233 -2.137 3.015 145 HD21 LEU 21 3HD2 LEU 21 -6.731 -3.180 2.787 146 HD22 LEU 21 1HD2 LEU 21 -5.251 -2.849 1.886 147 HD23 LEU 21 2HD2 LEU 21 -6.167 -1.519 2.595 148 H LYS 22 H LYS 22 -6.842 -5.225 7.316 149 HA LYS 22 HA LYS 22 -7.818 -7.604 6.074 150 HB3 LYS 22 2HB LYS 22 -6.152 -7.470 7.987 151 HG3 LYS 22 2HG LYS 22 -8.665 -7.142 9.615 152 HD3 LYS 22 2HD LYS 22 -5.959 -7.177 10.824 153 HE3 LYS 22 2HE LYS 22 -7.371 -8.566 12.501 154 HZ1 LYS 22 3HZ LYS 22 -6.742 -6.006 12.450 155 HZ2 LYS 22 1HZ LYS 22 -7.721 -6.672 13.657 156 HZ3 LYS 22 2HZ LYS 22 -8.425 -5.852 12.357 157 H ASP 23 H ASP 23 -9.331 -4.917 7.450 158 HA ASP 23 HA ASP 23 -11.802 -6.442 7.947 159 HB3 ASP 23 2HB ASP 23 -11.596 -3.606 8.809 160 H LYS 24 H LYS 24 -10.411 -4.924 5.506 161 HA LYS 24 HA LYS 24 -12.911 -3.668 4.580 162 HB3 LYS 24 2HB LYS 24 -11.195 -2.485 2.959 163 HG3 LYS 24 2HG LYS 24 -10.693 -0.796 4.906 164 HD3 LYS 24 2HD LYS 24 -13.517 -1.362 4.001 165 HE3 LYS 24 2HE LYS 24 -12.164 0.935 5.311 166 HZ1 LYS 24 3HZ LYS 24 -12.729 1.955 3.259 167 HZ2 LYS 24 1HZ LYS 24 -13.917 2.408 4.375 168 HZ3 LYS 24 2HZ LYS 24 -14.250 1.216 3.221 169 H ASP 25 H ASP 25 -13.134 -3.678 2.160 170 HA ASP 25 HA ASP 25 -13.152 -6.291 1.185 171 HB3 ASP 25 2HB ASP 25 -14.667 -4.815 0.168 172 HA PRO 26 HA PRO 26 -9.142 -7.076 -0.407 173 HB3 PRO 26 2HB PRO 26 -9.904 -9.161 -0.997 174 HG3 PRO 26 2HG PRO 26 -12.060 -9.462 -1.815 175 HD3 PRO 26 2HD PRO 26 -12.522 -8.223 0.073 176 H GLY 27 H GLY 27 -7.624 -6.335 -1.871 177 HA2 GLY 27 2HA GLY 27 -6.857 -5.317 -3.845 178 HA3 GLY 27 3HA GLY 27 -8.520 -4.941 -4.271 179 H ALA 28 H ALA 28 -8.711 -3.935 -1.335 180 HA ALA 28 HA ALA 28 -8.321 -1.189 -1.971 181 HB1 ALA 28 1HB ALA 28 -10.027 -1.375 -0.484 182 HB2 ALA 28 2HB ALA 28 -9.279 -2.719 0.380 183 HB3 ALA 28 3HB ALA 28 -8.716 -1.070 0.655 184 H PHE 29 H PHE 29 -6.870 0.298 -1.051 185 HA PHE 29 HA PHE 29 -4.549 -0.830 0.345 186 HB3 PHE 29 2HB PHE 29 -4.138 -0.579 -2.154 187 HD1 PHE 29 1HD PHE 29 -6.216 0.989 -2.790 188 HD2 PHE 29 2HD PHE 29 -2.342 2.340 -1.659 189 HE1 PHE 29 1HE PHE 29 -6.625 3.121 -3.949 190 HE2 PHE 29 2HE PHE 29 -2.744 4.474 -2.816 191 HZ PHE 29 HZ PHE 29 -4.888 4.867 -3.962 192 H LEU 30 H LEU 30 -3.110 0.963 1.207 193 HA LEU 30 HA LEU 30 -4.474 3.471 1.741 194 HB3 LEU 30 2HB LEU 30 -3.729 1.516 3.907 195 HG LEU 30 HG LEU 30 -3.949 4.403 4.114 196 HD11 LEU 30 1HD1 LEU 30 -6.311 3.350 4.727 197 HD12 LEU 30 2HD1 LEU 30 -5.608 4.686 5.637 198 HD13 LEU 30 3HD1 LEU 30 -5.481 3.038 6.252 199 HD21 LEU 30 3HD2 LEU 30 -3.444 2.662 6.451 200 HD22 LEU 30 1HD2 LEU 30 -2.569 4.083 5.881 201 HD23 LEU 30 2HD2 LEU 30 -2.322 2.522 5.096 202 H ILE 31 H ILE 31 -3.099 5.132 2.363 203 HA ILE 31 HA ILE 31 -0.228 4.478 2.231 204 HB ILE 31 HB ILE 31 -1.597 7.057 1.457 205 HG13 ILE 31 2HG1 ILE 31 -1.924 5.095 -0.089 206 HG21 ILE 31 1HG2 ILE 31 0.918 7.158 0.416 207 HG22 ILE 31 2HG2 ILE 31 0.415 7.930 1.918 208 HG23 ILE 31 3HG2 ILE 31 1.199 6.351 1.959 209 HD11 ILE 31 3HD1 ILE 31 -2.001 6.493 -1.801 210 HD12 ILE 31 1HD1 ILE 31 -1.235 7.698 -0.767 211 HD13 ILE 31 2HD1 ILE 31 -0.248 6.676 -1.810 212 H ARG 32 H ARG 32 1.150 5.285 3.752 213 HA ARG 32 HA ARG 32 0.123 7.141 5.759 214 HB3 ARG 32 2HB ARG 32 -0.383 5.134 6.869 215 HG3 ARG 32 2HG ARG 32 1.953 3.627 7.066 216 HD3 ARG 32 2HD ARG 32 -0.045 2.758 5.090 217 HE ARG 32 HE ARG 32 0.322 1.321 7.559 218 HH11 ARG 32 1HH1 ARG 32 1.560 1.911 4.359 219 HH12 ARG 32 2HH1 ARG 32 2.406 0.403 4.266 220 HH21 ARG 32 1HH2 ARG 32 1.433 -0.669 7.449 221 HH22 ARG 32 2HH2 ARG 32 2.332 -1.065 6.025 222 H ASP 33 H ASP 33 1.874 7.915 7.223 223 HA ASP 33 HA ASP 33 4.106 8.766 5.706 224 HB3 ASP 33 2HB ASP 33 3.730 8.886 8.705 225 H SER 34 H SER 34 5.889 7.678 5.245 226 HA SER 34 HA SER 34 6.537 5.250 6.686 227 HB3 SER 34 2HB SER 34 8.186 6.439 4.464 228 HG SER 34 HG SER 34 8.633 4.283 4.077 229 H HIS 35 H HIS 35 7.210 5.989 8.707 230 HA HIS 35 HA HIS 35 9.240 7.969 9.023 231 HB3 HIS 35 2HB HIS 35 8.582 5.909 11.108 232 HD1 HIS 35 1HD HIS 35 8.351 9.691 11.080 233 HD2 HIS 35 2HD HIS 35 10.539 6.641 12.863 234 HE1 HIS 35 1HE HIS 35 9.789 10.817 12.809 235 H SER 36 H SER 36 9.317 4.739 8.084 236 HA SER 36 HA SER 36 11.652 3.782 9.292 237 HB3 SER 36 2HB SER 36 11.768 2.451 7.001 238 HG SER 36 HG SER 36 9.964 2.255 9.131 239 H PHE 37 H PHE 37 11.450 4.773 5.878 240 HA PHE 37 HA PHE 37 14.226 5.713 6.075 241 HB3 PHE 37 2HB PHE 37 13.441 5.698 3.376 242 HD1 PHE 37 2HD PHE 37 14.311 2.675 5.338 243 HD2 PHE 37 1HD PHE 37 15.700 5.808 2.813 244 HE1 PHE 37 2HE PHE 37 16.501 1.567 5.175 245 HE2 PHE 37 1HE PHE 37 17.893 4.704 2.645 246 HZ PHE 37 HZ PHE 37 18.297 2.582 3.828 247 H GLN 38 H GLN 38 14.836 7.716 5.175 248 HA GLN 38 HA GLN 38 12.928 9.796 5.547 249 HB3 GLN 38 2HB GLN 38 14.775 11.285 4.780 250 HG3 GLN 38 2HG GLN 38 16.516 10.489 6.487 251 HE21 GLN 38 1HE2 GLN 38 16.325 11.370 8.558 252 HE22 GLN 38 2HE2 GLN 38 14.947 12.299 9.028 253 H GLY 39 H GLY 39 11.604 10.730 4.125 254 HA2 GLY 39 2HA GLY 39 10.694 11.408 2.119 255 HA3 GLY 39 3HA GLY 39 12.222 11.002 1.351 256 H ALA 40 H ALA 40 10.026 8.896 3.168 257 HA ALA 40 HA ALA 40 9.514 7.404 0.682 258 HB1 ALA 40 1HB ALA 40 9.435 5.498 2.685 259 HB2 ALA 40 2HB ALA 40 10.728 5.730 1.508 260 HB3 ALA 40 3HB ALA 40 10.834 6.491 3.095 261 H TYR 41 H TYR 41 7.601 5.952 0.850 262 HA TYR 41 HA TYR 41 5.588 6.961 2.741 263 HB3 TYR 41 2HB TYR 41 3.969 6.598 0.701 264 HD1 TYR 41 1HD TYR 41 6.838 8.963 0.356 265 HD2 TYR 41 2HD TYR 41 2.722 8.456 1.303 266 HE1 TYR 41 1HE TYR 41 6.588 11.403 0.544 267 HE2 TYR 41 2HE TYR 41 2.460 10.893 1.494 268 HH TYR 41 HH TYR 41 4.271 12.900 2.063 269 H GLY 42 H GLY 42 4.389 5.426 3.698 270 HA2 GLY 42 2HA GLY 42 4.988 2.655 3.096 271 HA3 GLY 42 3HA GLY 42 4.025 3.249 4.441 272 H LEU 43 H LEU 43 3.903 1.550 1.618 273 HA LEU 43 HA LEU 43 1.084 2.241 1.133 274 HB3 LEU 43 2HB LEU 43 3.131 0.927 -0.644 275 HG LEU 43 HG LEU 43 0.580 0.226 -0.918 276 HD11 LEU 43 1HD1 LEU 43 -0.341 2.428 -1.072 277 HD12 LEU 43 2HD1 LEU 43 -0.452 1.670 -2.660 278 HD13 LEU 43 3HD1 LEU 43 0.800 2.870 -2.342 279 HD21 LEU 43 3HD2 LEU 43 1.640 -0.795 -2.583 280 HD22 LEU 43 1HD2 LEU 43 2.869 0.468 -2.651 281 HD23 LEU 43 2HD2 LEU 43 1.369 0.647 -3.561 282 H ALA 44 H ALA 44 -0.417 0.836 1.743 283 HA ALA 44 HA ALA 44 0.393 -1.960 2.215 284 HB1 ALA 44 1HB ALA 44 -0.280 -0.464 4.209 285 HB2 ALA 44 2HB ALA 44 -1.925 -0.682 3.613 286 HB3 ALA 44 3HB ALA 44 -0.968 -2.084 4.091 287 H LEU 45 H LEU 45 -0.868 -3.585 1.415 288 HA LEU 45 HA LEU 45 -3.331 -2.845 -0.001 289 HB3 LEU 45 2HB LEU 45 -0.958 -4.318 -1.084 290 HG LEU 45 HG LEU 45 -2.961 -5.723 -1.594 291 HD11 LEU 45 1HD1 LEU 45 -4.065 -4.072 -3.638 292 HD12 LEU 45 2HD1 LEU 45 -4.128 -3.204 -2.104 293 HD13 LEU 45 3HD1 LEU 45 -4.866 -4.801 -2.245 294 HD21 LEU 45 3HD2 LEU 45 -2.561 -5.274 -4.230 295 HD22 LEU 45 1HD2 LEU 45 -1.451 -6.176 -3.198 296 HD23 LEU 45 2HD2 LEU 45 -1.147 -4.473 -3.543 297 H LYS 46 H LYS 46 -4.952 -4.347 0.057 298 HA LYS 46 HA LYS 46 -4.497 -6.642 1.827 299 HB3 LYS 46 2HB LYS 46 -7.066 -5.308 0.950 300 HG3 LYS 46 2HG LYS 46 -7.377 -7.708 1.478 301 HD3 LYS 46 2HD LYS 46 -6.635 -6.980 4.300 302 HE3 LYS 46 2HE LYS 46 -6.576 -9.396 4.599 303 HZ1 LYS 46 3HZ LYS 46 -8.751 -9.424 4.958 304 HZ2 LYS 46 1HZ LYS 46 -9.111 -9.358 3.306 305 HZ3 LYS 46 2HZ LYS 46 -8.854 -7.930 4.173 306 H VAL 47 H VAL 47 -4.665 -8.689 1.135 307 HA VAL 47 HA VAL 47 -5.858 -9.195 -1.504 308 HB VAL 47 HB VAL 47 -4.021 -10.899 -1.885 309 HG11 VAL 47 1HG1 VAL 47 -2.520 -8.422 -1.925 310 HG12 VAL 47 2HG1 VAL 47 -3.133 -9.393 -3.266 311 HG13 VAL 47 3HG1 VAL 47 -4.174 -8.197 -2.493 312 HG21 VAL 47 3HG2 VAL 47 -2.084 -10.909 -0.629 313 HG22 VAL 47 1HG2 VAL 47 -2.359 -9.285 0.002 314 HG23 VAL 47 2HG2 VAL 47 -3.309 -10.642 0.610 315 H ALA 48 H ALA 48 -6.560 -11.381 -1.842 316 HA ALA 48 HA ALA 48 -7.395 -12.652 0.656 317 HB1 ALA 48 1HB ALA 48 -8.949 -13.931 -0.791 318 HB2 ALA 48 2HB ALA 48 -9.169 -12.184 -0.896 319 HB3 ALA 48 3HB ALA 48 -8.326 -13.045 -2.183 320 H THR 49 H THR 49 -4.654 -12.896 -0.295 321 HA THR 49 HA THR 49 -4.276 -15.660 0.116 322 HB THR 49 HB THR 49 -3.048 -15.665 -2.349 323 HG1 THR 49 1HG THR 49 -4.068 -14.131 -3.421 324 HG21 THR 49 3HG2 THR 49 -5.816 -16.702 -2.269 325 HG22 THR 49 1HG2 THR 49 -4.732 -17.271 -1.000 326 HG23 THR 49 2HG2 THR 49 -4.312 -17.518 -2.695 327 HA PRO 50 HA PRO 50 -0.217 -14.301 1.082 328 HB3 PRO 50 2HB PRO 50 0.186 -16.408 1.907 329 HG3 PRO 50 2HG PRO 50 -0.665 -18.294 0.845 330 HD3 PRO 50 2HD PRO 50 -2.580 -17.017 0.982 331 HA PRO 51 HA PRO 51 2.026 -12.881 -2.422 332 HB3 PRO 51 2HB PRO 51 3.452 -11.812 -0.970 333 HG3 PRO 51 2HG PRO 51 4.095 -12.811 1.030 334 HD3 PRO 51 2HD PRO 51 1.811 -13.084 1.168 335 HA PRO 52 HA PRO 52 3.557 -16.123 -4.966 336 HB3 PRO 52 2HB PRO 52 3.781 -14.579 -6.653 337 HG3 PRO 52 2HG PRO 52 4.526 -12.421 -6.212 338 HD3 PRO 52 2HD PRO 52 2.875 -12.605 -4.614 339 H SER 53 H SER 53 4.442 -17.362 -3.176 340 HA SER 53 HA SER 53 7.117 -18.103 -3.555 341 HB3 SER 53 2HB SER 53 8.147 -16.455 -2.394 342 HG SER 53 HG SER 53 7.035 -14.896 -1.503 343 H ALA 54 H ALA 54 4.451 -17.904 -1.248 344 HA ALA 54 HA ALA 54 3.540 -19.425 0.186 345 HB1 ALA 54 1HB ALA 54 4.528 -21.493 -1.765 346 HB2 ALA 54 2HB ALA 54 3.120 -21.583 -0.706 347 HB3 ALA 54 3HB ALA 54 3.127 -20.465 -2.069 348 H GLN 55 H GLN 55 6.153 -18.633 0.864 349 HA GLN 55 HA GLN 55 7.922 -20.723 1.427 350 HB3 GLN 55 2HB GLN 55 8.235 -18.881 3.502 351 HG3 GLN 55 2HG GLN 55 9.906 -17.807 1.856 352 HE21 GLN 55 1HE2 GLN 55 11.841 -18.253 2.642 353 HE22 GLN 55 2HE2 GLN 55 12.320 -19.748 3.365 354 HA PRO 56 HA PRO 56 5.956 -21.013 5.824 355 HB3 PRO 56 2HB PRO 56 5.258 -18.946 6.540 356 HG3 PRO 56 2HG PRO 56 4.393 -17.387 5.047 357 HD3 PRO 56 2HD PRO 56 6.328 -17.968 3.937 358 H TRP 57 H TRP 57 4.825 -22.811 6.279 359 HA TRP 57 HA TRP 57 2.600 -23.524 4.481 360 HB3 TRP 57 2HB TRP 57 3.679 -25.822 5.818 361 HD1 TRP 57 HD TRP 57 1.400 -25.524 3.705 362 HE1 TRP 57 1HE TRP 57 1.597 -26.645 1.397 363 HE3 TRP 57 3HE TRP 57 6.479 -26.072 3.499 364 HZ2 TRP 57 2HZ TRP 57 3.635 -27.632 -0.289 365 HZ3 TRP 57 3HZ TRP 57 7.473 -27.115 1.504 366 HH2 TRP 57 HH TRP 57 6.078 -27.878 -0.350 367 H LYS 58 H LYS 58 3.685 -23.191 7.750 368 HA LYS 58 HA LYS 58 1.874 -24.714 9.169 369 HB3 LYS 58 2HB LYS 58 2.231 -22.101 10.388 370 HG3 LYS 58 2HG LYS 58 3.779 -24.488 11.236 371 HD3 LYS 58 2HD LYS 58 2.288 -22.234 12.538 372 HE3 LYS 58 2HE LYS 58 3.537 -24.011 14.427 373 HZ1 LYS 58 3HZ LYS 58 0.778 -22.982 14.070 374 HZ2 LYS 58 1HZ LYS 58 1.966 -22.397 15.123 375 HZ3 LYS 58 2HZ LYS 58 1.262 -23.909 15.400 376 H GLY 59 H GLY 59 1.459 -21.374 8.003 377 HA2 GLY 59 2HA GLY 59 -1.329 -21.753 7.546 378 HA3 GLY 59 3HA GLY 59 -1.051 -20.837 9.019 379 H ASP 60 H ASP 60 -2.206 -19.117 7.919 380 HA ASP 60 HA ASP 60 -0.362 -17.370 6.527 381 HB3 ASP 60 2HB ASP 60 -1.154 -18.151 4.525 382 HA PRO 61 HA PRO 61 -3.165 -15.263 9.542 383 HB3 PRO 61 2HB PRO 61 -1.579 -15.426 11.196 384 HG3 PRO 61 2HG PRO 61 0.674 -15.682 10.678 385 HD3 PRO 61 2HD PRO 61 -0.229 -17.340 9.356 386 H VAL 62 H VAL 62 -2.985 -12.728 10.061 387 HA VAL 62 HA VAL 62 -3.668 -11.369 7.743 388 HB VAL 62 HB VAL 62 -2.602 -10.183 10.311 389 HG11 VAL 62 1HG1 VAL 62 -2.514 -8.553 8.538 390 HG12 VAL 62 2HG1 VAL 62 -4.168 -8.935 8.056 391 HG13 VAL 62 3HG1 VAL 62 -3.858 -8.167 9.613 392 HG21 VAL 62 3HG2 VAL 62 -4.824 -10.090 11.088 393 HG22 VAL 62 1HG2 VAL 62 -5.480 -10.480 9.498 394 HG23 VAL 62 2HG2 VAL 62 -4.632 -11.714 10.429 395 H GLU 63 H GLU 63 -0.546 -12.013 9.080 396 HA GLU 63 HA GLU 63 0.966 -9.948 7.977 397 HB3 GLU 63 2HB GLU 63 2.873 -11.544 8.097 398 HG3 GLU 63 2HG GLU 63 1.779 -12.317 10.609 399 H GLN 64 H GLN 64 -0.109 -13.001 6.567 400 HA GLN 64 HA GLN 64 1.234 -12.418 4.057 401 HB3 GLN 64 2HB GLN 64 0.253 -14.601 3.338 402 HG3 GLN 64 2HG GLN 64 1.338 -15.897 5.437 403 HE21 GLN 64 1HE2 GLN 64 1.702 -17.055 3.501 404 HE22 GLN 64 2HE2 GLN 64 3.081 -16.724 2.514 405 H LEU 65 H LEU 65 -1.907 -12.156 5.483 406 HA LEU 65 HA LEU 65 -3.373 -11.969 3.036 407 HB3 LEU 65 2HB LEU 65 -5.206 -11.157 4.452 408 HG LEU 65 HG LEU 65 -3.848 -13.442 5.879 409 HD11 LEU 65 1HD1 LEU 65 -5.810 -13.842 6.927 410 HD12 LEU 65 2HD1 LEU 65 -6.780 -13.245 5.581 411 HD13 LEU 65 3HD1 LEU 65 -6.019 -12.107 6.692 412 HD21 LEU 65 3HD2 LEU 65 -5.251 -13.280 3.268 413 HD22 LEU 65 1HD2 LEU 65 -5.578 -14.676 4.295 414 HD23 LEU 65 2HD2 LEU 65 -3.926 -14.326 3.782 415 H VAL 66 H VAL 66 -1.511 -9.780 4.943 416 HA VAL 66 HA VAL 66 -2.385 -7.558 3.213 417 HB VAL 66 HB VAL 66 -1.474 -7.361 6.088 418 HG11 VAL 66 1HG1 VAL 66 -1.426 -5.451 3.994 419 HG12 VAL 66 2HG1 VAL 66 -2.700 -4.985 5.122 420 HG13 VAL 66 3HG1 VAL 66 -1.050 -5.218 5.701 421 HG21 VAL 66 3HG2 VAL 66 -4.193 -6.863 4.878 422 HG22 VAL 66 1HG2 VAL 66 -3.743 -8.273 5.838 423 HG23 VAL 66 2HG2 VAL 66 -3.752 -6.671 6.574 424 H ARG 67 H ARG 67 -0.839 -6.740 1.970 425 HA ARG 67 HA ARG 67 1.963 -7.309 2.665 426 HB3 ARG 67 2HB ARG 67 2.231 -6.660 0.129 427 HG3 ARG 67 2HG ARG 67 1.760 -8.976 -0.582 428 HD3 ARG 67 2HD ARG 67 3.641 -8.090 1.275 429 HE ARG 67 HE ARG 67 2.164 -10.128 2.534 430 HH11 ARG 67 1HH1 ARG 67 5.447 -9.224 1.810 431 HH12 ARG 67 2HH1 ARG 67 6.114 -10.043 3.184 432 HH21 ARG 67 1HH2 ARG 67 3.029 -11.209 4.348 433 HH22 ARG 67 2HH2 ARG 67 4.737 -11.172 4.627 434 H HIS 68 H HIS 68 3.043 -5.648 3.474 435 HA HIS 68 HA HIS 68 2.353 -2.934 2.550 436 HB3 HIS 68 2HB HIS 68 1.758 -3.012 4.835 437 HD1 HIS 68 1HD HIS 68 5.390 -3.632 5.619 438 HD2 HIS 68 2HD HIS 68 1.672 -5.369 6.265 439 HE1 HIS 68 1HE HIS 68 5.790 -5.481 7.278 440 H PHE 69 H PHE 69 3.897 -1.876 1.502 441 HA PHE 69 HA PHE 69 6.703 -2.612 1.988 442 HB3 PHE 69 2HB PHE 69 7.194 -2.502 -0.379 443 HD1 PHE 69 2HD PHE 69 7.181 -4.774 1.169 444 HD2 PHE 69 1HD PHE 69 4.275 -3.635 -1.725 445 HE1 PHE 69 2HE PHE 69 6.546 -7.135 0.883 446 HE2 PHE 69 1HE PHE 69 3.634 -5.993 -2.014 447 HZ PHE 69 HZ PHE 69 4.770 -7.746 -0.710 448 H LEU 70 H LEU 70 8.228 -0.951 1.700 449 HA LEU 70 HA LEU 70 7.078 1.734 1.915 450 HB3 LEU 70 2HB LEU 70 8.573 0.948 3.704 451 HG LEU 70 HG LEU 70 10.245 -0.077 1.780 452 HD11 LEU 70 1HD1 LEU 70 11.425 2.487 2.834 453 HD12 LEU 70 2HD1 LEU 70 11.114 2.070 1.150 454 HD13 LEU 70 3HD1 LEU 70 12.351 1.201 2.058 455 HD21 LEU 70 3HD2 LEU 70 11.014 0.677 4.596 456 HD22 LEU 70 1HD2 LEU 70 11.691 -0.624 3.617 457 HD23 LEU 70 2HD2 LEU 70 10.018 -0.716 4.169 458 H ILE 71 H ILE 71 7.175 3.098 0.265 459 HA ILE 71 HA ILE 71 8.913 2.460 -2.000 460 HB ILE 71 HB ILE 71 6.823 4.623 -1.941 461 HG13 ILE 71 2HG1 ILE 71 6.474 1.713 -1.928 462 HG21 ILE 71 1HG2 ILE 71 7.676 2.985 -4.297 463 HG22 ILE 71 2HG2 ILE 71 6.946 4.588 -4.262 464 HG23 ILE 71 3HG2 ILE 71 8.625 4.374 -3.769 465 HD11 ILE 71 3HD1 ILE 71 4.002 3.047 -1.962 466 HD12 ILE 71 1HD1 ILE 71 4.835 2.325 -0.584 467 HD13 ILE 71 2HD1 ILE 71 5.098 4.023 -0.984 468 H GLU 72 H GLU 72 10.556 3.735 -2.664 469 HA GLU 72 HA GLU 72 11.089 6.160 -1.077 470 HB3 GLU 72 2HB GLU 72 13.089 4.383 -2.484 471 HG3 GLU 72 2HG GLU 72 13.421 6.745 -0.662 472 H THR 73 H THR 73 11.722 8.031 -2.107 473 HA THR 73 HA THR 73 11.515 8.013 -5.048 474 HB THR 73 HB THR 73 9.579 9.144 -4.284 475 HG1 THR 73 1HG THR 73 9.997 11.281 -5.025 476 HG21 THR 73 3HG2 THR 73 10.258 9.471 -1.954 477 HG22 THR 73 1HG2 THR 73 9.632 10.966 -2.647 478 HG23 THR 73 2HG2 THR 73 11.371 10.745 -2.453 479 H GLY 74 H GLY 74 13.315 8.601 -6.058 480 HA2 GLY 74 2HA GLY 74 15.129 10.488 -4.692 481 HA3 GLY 74 3HA GLY 74 15.742 9.050 -5.496 482 HA PRO 75 HA PRO 75 15.937 12.592 -8.486 483 HB3 PRO 75 2HB PRO 75 18.103 13.075 -7.892 484 HG3 PRO 75 2HG PRO 75 19.462 11.469 -6.901 485 HD3 PRO 75 2HD PRO 75 17.592 11.286 -5.566 486 H LYS 76 H LYS 76 16.057 9.217 -8.562 487 HA LYS 76 HA LYS 76 16.081 9.159 -11.503 488 HB3 LYS 76 2HB LYS 76 16.290 6.609 -11.048 489 HG3 LYS 76 2HG LYS 76 18.817 7.228 -10.156 490 HD3 LYS 76 2HD LYS 76 18.096 7.587 -13.035 491 HE3 LYS 76 2HE LYS 76 20.144 5.734 -11.891 492 HZ1 LYS 76 3HZ LYS 76 21.218 6.917 -14.014 493 HZ2 LYS 76 1HZ LYS 76 19.585 7.003 -14.443 494 HZ3 LYS 76 2HZ LYS 76 20.294 5.504 -14.111 495 H GLY 77 H GLY 77 13.948 9.366 -9.044 496 HA2 GLY 77 2HA GLY 77 11.585 9.341 -9.777 497 HA3 GLY 77 3HA GLY 77 11.926 7.776 -10.500 498 H VAL 78 H VAL 78 9.871 7.553 -9.027 499 HA VAL 78 HA VAL 78 10.746 6.726 -6.338 500 HB VAL 78 HB VAL 78 9.036 8.412 -6.191 501 HG11 VAL 78 1HG1 VAL 78 6.850 8.177 -7.215 502 HG12 VAL 78 2HG1 VAL 78 8.108 8.127 -8.452 503 HG13 VAL 78 3HG1 VAL 78 7.326 6.635 -7.927 504 HG21 VAL 78 3HG2 VAL 78 7.313 7.204 -4.943 505 HG22 VAL 78 1HG2 VAL 78 7.863 5.685 -5.651 506 HG23 VAL 78 2HG2 VAL 78 8.923 6.588 -4.569 507 H LYS 79 H LYS 79 10.735 4.630 -5.860 508 HA LYS 79 HA LYS 79 8.929 2.821 -7.276 509 HB3 LYS 79 2HB LYS 79 11.297 2.978 -8.356 510 HG3 LYS 79 2HG LYS 79 12.897 1.369 -7.462 511 HD3 LYS 79 2HD LYS 79 12.164 3.444 -5.396 512 HE3 LYS 79 2HE LYS 79 14.796 2.157 -6.120 513 HZ1 LYS 79 3HZ LYS 79 14.287 4.645 -4.970 514 HZ2 LYS 79 1HZ LYS 79 15.777 3.861 -5.135 515 HZ3 LYS 79 2HZ LYS 79 14.854 3.637 -3.735 516 H ILE 80 H ILE 80 8.774 0.696 -6.242 517 HA ILE 80 HA ILE 80 8.697 0.955 -3.390 518 HB ILE 80 HB ILE 80 8.142 -1.450 -5.131 519 HG13 ILE 80 2HG1 ILE 80 6.668 0.533 -5.507 520 HG21 ILE 80 1HG2 ILE 80 8.331 -1.142 -2.265 521 HG22 ILE 80 2HG2 ILE 80 6.722 -1.671 -2.752 522 HG23 ILE 80 3HG2 ILE 80 8.139 -2.605 -3.230 523 HD11 ILE 80 3HD1 ILE 80 4.475 -0.605 -4.904 524 HD12 ILE 80 1HD1 ILE 80 5.566 -1.466 -5.990 525 HD13 ILE 80 2HD1 ILE 80 5.468 -1.927 -4.291 526 H LYS 81 H LYS 81 10.090 0.218 -1.905 527 HA LYS 81 HA LYS 81 12.713 -0.350 -2.402 528 HB3 LYS 81 2HB LYS 81 11.194 -1.591 -0.107 529 HG3 LYS 81 2HG LYS 81 13.461 -0.493 0.915 530 HD3 LYS 81 2HD LYS 81 14.247 -3.063 0.292 531 HE3 LYS 81 2HE LYS 81 12.332 -2.299 2.491 532 HZ1 LYS 81 3HZ LYS 81 14.113 -4.551 2.004 533 HZ2 LYS 81 1HZ LYS 81 12.661 -4.485 2.870 534 HZ3 LYS 81 2HZ LYS 81 14.096 -3.938 3.581 535 H GLY 82 H GLY 82 10.010 -2.594 -2.385 536 HA2 GLY 82 2HA GLY 82 11.793 -4.872 -2.782 537 HA3 GLY 82 3HA GLY 82 10.051 -4.941 -2.565 538 H CYS 83 H CYS 83 11.897 -2.989 -4.871 539 HA CYS 83 HA CYS 83 10.234 -3.983 -7.025 540 HB3 CYS 83 2HB CYS 83 10.696 -1.613 -6.988 541 HG CYS 83 HG CYS 83 13.996 -2.477 -6.932 542 HA PRO 84 HA PRO 84 13.164 -7.157 -8.084 543 HB3 PRO 84 2HB PRO 84 11.339 -8.423 -8.670 544 HG3 PRO 84 2HG PRO 84 9.400 -7.430 -9.482 545 HD3 PRO 84 2HD PRO 84 9.740 -6.150 -7.595 546 H SER 85 H SER 85 11.819 -5.125 -10.693 547 HA SER 85 HA SER 85 14.462 -5.153 -11.983 548 HB3 SER 85 2HB SER 85 12.558 -3.952 -13.697 549 HG SER 85 HG SER 85 12.933 -6.505 -14.328 550 H GLU 86 H GLU 86 12.367 -3.213 -10.179 551 HA GLU 86 HA GLU 86 12.475 -1.046 -9.491 552 HB3 GLU 86 2HB GLU 86 14.533 0.041 -9.456 553 HG3 GLU 86 2HG GLU 86 15.898 -2.476 -10.058 554 HA PRO 87 HA PRO 87 10.799 0.296 -13.552 555 HB3 PRO 87 2HB PRO 87 8.706 -0.401 -12.912 556 HG3 PRO 87 2HG PRO 87 8.137 -0.584 -10.665 557 HD3 PRO 87 2HD PRO 87 10.123 -1.752 -10.667 558 H TYR 88 H TYR 88 10.566 2.075 -10.470 559 HA TYR 88 HA TYR 88 10.981 4.242 -9.922 560 HB3 TYR 88 2HB TYR 88 12.619 5.407 -11.674 561 HD1 TYR 88 2HD TYR 88 13.865 2.099 -10.672 562 HD2 TYR 88 1HD TYR 88 13.451 6.182 -9.548 563 HE1 TYR 88 2HE TYR 88 15.471 1.752 -8.842 564 HE2 TYR 88 1HE TYR 88 15.058 5.847 -7.717 565 HH TYR 88 HH TYR 88 17.151 3.561 -7.504 566 H PHE 89 H PHE 89 8.785 4.799 -10.308 567 HA PHE 89 HA PHE 89 8.050 5.891 -12.888 568 HB3 PHE 89 2HB PHE 89 5.844 6.223 -11.899 569 HD1 PHE 89 2HD PHE 89 7.114 3.558 -9.720 570 HD2 PHE 89 1HD PHE 89 5.340 4.498 -13.473 571 HE1 PHE 89 2HE PHE 89 6.603 1.177 -10.071 572 HE2 PHE 89 1HE PHE 89 4.827 2.118 -13.830 573 HZ PHE 89 HZ PHE 89 5.459 0.454 -12.128 574 H GLY 90 H GLY 90 6.465 8.015 -12.320 575 HA2 GLY 90 2HA GLY 90 8.410 10.088 -11.887 576 HA3 GLY 90 3HA GLY 90 6.710 10.314 -12.270 577 H SER 91 H SER 91 5.211 9.621 -10.386 578 HA SER 91 HA SER 91 6.387 10.389 -7.808 579 HB3 SER 91 2HB SER 91 3.845 11.521 -7.757 580 HG SER 91 HG SER 91 5.504 12.616 -6.859 581 H LEU 92 H LEU 92 4.570 10.132 -6.045 582 HA LEU 92 HA LEU 92 4.004 7.439 -5.780 583 HB3 LEU 92 2HB LEU 92 2.148 8.398 -4.162 584 HG LEU 92 HG LEU 92 4.892 7.890 -3.771 585 HD11 LEU 92 1HD1 LEU 92 5.348 9.537 -1.945 586 HD12 LEU 92 2HD1 LEU 92 3.983 10.481 -2.538 587 HD13 LEU 92 3HD1 LEU 92 5.384 10.210 -3.575 588 HD21 LEU 92 3HD2 LEU 92 3.130 8.407 -1.451 589 HD22 LEU 92 1HD2 LEU 92 4.152 7.017 -1.815 590 HD23 LEU 92 2HD2 LEU 92 2.589 7.195 -2.613 591 H SER 93 H SER 93 2.040 10.005 -7.171 592 HA SER 93 HA SER 93 -0.336 8.465 -7.427 593 HB3 SER 93 2HB SER 93 0.130 10.659 -9.362 594 HG SER 93 HG SER 93 -1.899 11.260 -8.046 595 H ALA 94 H ALA 94 2.469 9.002 -9.465 596 HA ALA 94 HA ALA 94 1.416 7.882 -11.841 597 HB1 ALA 94 1HB ALA 94 3.587 7.998 -12.705 598 HB2 ALA 94 2HB ALA 94 3.504 9.330 -11.551 599 HB3 ALA 94 3HB ALA 94 4.326 7.832 -11.112 600 H LEU 95 H LEU 95 3.362 6.503 -9.209 601 HA LEU 95 HA LEU 95 3.479 3.898 -10.360 602 HB3 LEU 95 2HB LEU 95 5.197 4.522 -8.848 603 HG LEU 95 HG LEU 95 3.607 6.045 -7.405 604 HD11 LEU 95 1HD1 LEU 95 3.166 3.345 -6.349 605 HD12 LEU 95 2HD1 LEU 95 2.182 4.800 -6.201 606 HD13 LEU 95 3HD1 LEU 95 3.566 4.560 -5.135 607 HD21 LEU 95 3HD2 LEU 95 5.454 5.070 -5.498 608 HD22 LEU 95 1HD2 LEU 95 5.594 6.493 -6.530 609 HD23 LEU 95 2HD2 LEU 95 6.212 4.938 -7.087 610 H VAL 96 H VAL 96 1.292 5.543 -8.189 611 HA VAL 96 HA VAL 96 -0.068 3.236 -7.238 612 HB VAL 96 HB VAL 96 -0.666 6.165 -7.249 613 HG11 VAL 96 1HG1 VAL 96 -2.823 5.362 -7.740 614 HG12 VAL 96 2HG1 VAL 96 -2.631 3.960 -6.685 615 HG13 VAL 96 3HG1 VAL 96 -2.794 5.573 -5.990 616 HG21 VAL 96 3HG2 VAL 96 0.430 4.263 -5.442 617 HG22 VAL 96 1HG2 VAL 96 0.216 6.000 -5.219 618 HG23 VAL 96 2HG2 VAL 96 -1.068 4.885 -4.750 619 H SER 97 H SER 97 -0.641 5.478 -9.915 620 HA SER 97 HA SER 97 -3.110 4.293 -10.709 621 HB3 SER 97 2HB SER 97 -1.269 5.941 -12.448 622 HG SER 97 HG SER 97 -2.917 5.857 -13.729 623 H GLN 98 H GLN 98 0.252 3.917 -11.712 624 HA GLN 98 HA GLN 98 -0.323 2.158 -13.883 625 HB3 GLN 98 2HB GLN 98 2.202 1.615 -13.565 626 HG3 GLN 98 2HG GLN 98 2.866 3.926 -14.393 627 HE21 GLN 98 1HE2 GLN 98 3.217 3.858 -16.519 628 HE22 GLN 98 2HE2 GLN 98 2.370 2.845 -17.633 629 H HIS 99 H HIS 99 0.274 1.752 -10.472 630 HA HIS 99 HA HIS 99 0.798 -1.047 -10.558 631 HB3 HIS 99 2HB HIS 99 0.023 -0.758 -8.037 632 HD1 HIS 99 1HD HIS 99 2.705 -0.321 -10.421 633 HD2 HIS 99 2HD HIS 99 2.305 -0.052 -6.295 634 HE1 HIS 99 1HE HIS 99 5.045 -0.453 -9.509 635 H SER 100 H SER 100 -1.993 0.740 -11.051 636 HA SER 100 HA SER 100 -3.778 -1.361 -10.071 637 HB3 SER 100 2HB SER 100 -5.541 0.186 -10.233 638 HG SER 100 HG SER 100 -3.505 2.063 -9.819 639 H ILE 101 H ILE 101 -2.005 -0.929 -12.725 640 HA ILE 101 HA ILE 101 -3.987 -2.269 -14.435 641 HB ILE 101 HB ILE 101 -2.058 -0.137 -15.362 642 HG13 ILE 101 2HG1 ILE 101 -4.633 0.090 -14.237 643 HG21 ILE 101 1HG2 ILE 101 -2.161 -1.448 -17.217 644 HG22 ILE 101 2HG2 ILE 101 -3.729 -2.128 -16.786 645 HG23 ILE 101 3HG2 ILE 101 -3.631 -0.506 -17.470 646 HD11 ILE 101 3HD1 ILE 101 -3.872 2.342 -15.908 647 HD12 ILE 101 1HD1 ILE 101 -4.129 2.253 -14.165 648 HD13 ILE 101 2HD1 ILE 101 -2.573 1.789 -14.851 649 H SER 102 H SER 102 -0.600 -1.673 -13.677 650 HA SER 102 HA SER 102 0.042 -4.358 -14.630 651 HB3 SER 102 2HB SER 102 2.038 -3.561 -15.834 652 HG SER 102 HG SER 102 -0.027 -2.013 -16.905 653 HA PRO 103 HA PRO 103 1.919 -3.330 -10.522 654 HB3 PRO 103 2HB PRO 103 0.156 -4.299 -9.414 655 HG3 PRO 103 2HG PRO 103 -1.185 -5.891 -10.452 656 HD3 PRO 103 2HD PRO 103 -1.205 -4.243 -12.063 657 H ILE 104 H ILE 104 4.007 -3.741 -10.149 658 HA ILE 104 HA ILE 104 5.294 -5.918 -11.605 659 HB ILE 104 HB ILE 104 6.518 -3.656 -10.022 660 HG13 ILE 104 2HG1 ILE 104 5.689 -3.979 -12.856 661 HG21 ILE 104 1HG2 ILE 104 8.470 -4.518 -11.673 662 HG22 ILE 104 2HG2 ILE 104 8.277 -5.064 -10.009 663 HG23 ILE 104 3HG2 ILE 104 7.643 -6.038 -11.335 664 HD11 ILE 104 3HD1 ILE 104 4.966 -2.233 -10.945 665 HD12 ILE 104 1HD1 ILE 104 6.269 -1.333 -11.720 666 HD13 ILE 104 2HD1 ILE 104 4.893 -1.891 -12.673 667 H SER 105 H SER 105 5.886 -4.537 -8.375 668 HA SER 105 HA SER 105 6.484 -7.224 -7.393 669 HB3 SER 105 2HB SER 105 8.046 -5.262 -6.998 670 HG SER 105 HG SER 105 7.263 -3.584 -6.031 671 H LEU 106 H LEU 106 3.762 -6.575 -7.935 672 HA LEU 106 HA LEU 106 2.661 -6.755 -5.211 673 HB3 LEU 106 2HB LEU 106 1.116 -5.175 -5.578 674 HG LEU 106 HG LEU 106 2.894 -4.445 -7.902 675 HD11 LEU 106 1HD1 LEU 106 1.580 -2.714 -8.371 676 HD12 LEU 106 2HD1 LEU 106 1.396 -2.295 -6.669 677 HD13 LEU 106 3HD1 LEU 106 0.340 -3.505 -7.397 678 HD21 LEU 106 3HD2 LEU 106 4.223 -3.365 -6.446 679 HD22 LEU 106 1HD2 LEU 106 3.527 -4.476 -5.265 680 HD23 LEU 106 2HD2 LEU 106 2.871 -2.847 -5.437 681 HA PRO 107 HA PRO 107 0.584 -10.418 -6.442 682 HB3 PRO 107 2HB PRO 107 -0.281 -10.529 -4.316 683 HG3 PRO 107 2HG PRO 107 -0.956 -8.607 -3.195 684 HD3 PRO 107 2HD PRO 107 1.143 -7.949 -3.880 685 H CYS 108 H CYS 108 -1.429 -7.499 -6.698 686 HA CYS 108 HA CYS 108 -2.137 -8.116 -9.402 687 HB3 CYS 108 2HB CYS 108 -4.656 -7.809 -8.016 688 HG CYS 108 HG CYS 108 -3.821 -10.660 -9.651 689 H CYS 109 H CYS 109 -3.751 -6.466 -10.252 690 HA CYS 109 HA CYS 109 -2.805 -3.907 -9.898 691 HB3 CYS 109 2HB CYS 109 -4.097 -4.368 -11.836 692 HG CYS 109 HG CYS 109 -6.464 -5.444 -12.226 693 H LEU 110 H LEU 110 -3.043 -2.365 -8.413 694 HA LEU 110 HA LEU 110 -4.608 -2.879 -6.060 695 HB3 LEU 110 2HB LEU 110 -3.494 -1.115 -5.088 696 HG LEU 110 HG LEU 110 -1.572 -1.706 -7.338 697 HD11 LEU 110 1HD1 LEU 110 -0.979 0.267 -6.036 698 HD12 LEU 110 2HD1 LEU 110 0.134 -1.062 -5.715 699 HD13 LEU 110 3HD1 LEU 110 -1.123 -0.663 -4.544 700 HD21 LEU 110 3HD2 LEU 110 -0.871 -3.092 -5.002 701 HD22 LEU 110 1HD2 LEU 110 -1.442 -3.768 -6.528 702 HD23 LEU 110 2HD2 LEU 110 -2.593 -3.387 -5.248 703 H ARG 111 H ARG 111 -6.546 -2.072 -5.510 704 HA ARG 111 HA ARG 111 -8.129 -0.773 -7.505 705 HB3 ARG 111 2HB ARG 111 -9.322 -0.695 -4.879 706 HG3 ARG 111 2HG ARG 111 -10.576 -0.884 -6.993 707 HD3 ARG 111 2HD ARG 111 -8.792 -2.957 -7.528 708 HE ARG 111 HE ARG 111 -11.238 -4.107 -6.576 709 HH11 ARG 111 1HH1 ARG 111 -8.657 -4.438 -8.889 710 HH12 ARG 111 2HH1 ARG 111 -8.854 -6.150 -9.060 711 HH21 ARG 111 1HH2 ARG 111 -11.507 -6.361 -6.793 712 HH22 ARG 111 2HH2 ARG 111 -10.476 -7.243 -7.868 713 H ILE 112 H ILE 112 -8.517 1.331 -7.787 714 HA ILE 112 HA ILE 112 -7.571 3.196 -5.709 715 HB ILE 112 HB ILE 112 -7.774 3.780 -8.662 716 HG13 ILE 112 2HG1 ILE 112 -5.304 3.610 -8.677 717 HG21 ILE 112 1HG2 ILE 112 -6.988 5.321 -6.260 718 HG22 ILE 112 2HG2 ILE 112 -6.035 5.571 -7.722 719 HG23 ILE 112 3HG2 ILE 112 -7.775 5.855 -7.744 720 HD11 ILE 112 3HD1 ILE 112 -4.097 2.521 -6.922 721 HD12 ILE 112 1HD1 ILE 112 -4.909 3.940 -6.261 722 HD13 ILE 112 2HD1 ILE 112 -5.569 2.330 -5.970 723 HA PRO 113 HA PRO 113 -12.167 3.741 -6.160 724 HB3 PRO 113 2HB PRO 113 -12.592 2.316 -4.409 725 HG3 PRO 113 2HG PRO 113 -10.974 1.879 -2.796 726 HD3 PRO 113 2HD PRO 113 -9.739 1.512 -4.709 727 H SER 114 H SER 114 -12.922 5.740 -6.434 728 HA SER 114 HA SER 114 -12.206 7.860 -4.575 729 HB3 SER 114 2HB SER 114 -11.754 8.222 -7.545 730 HG SER 114 HG SER 114 -10.749 10.136 -6.829 731 H LYS 115 H LYS 115 -14.636 6.446 -5.150 732 HA LYS 115 HA LYS 115 -16.299 8.733 -5.910 733 HB3 LYS 115 2HB LYS 115 -17.829 6.978 -7.063 734 HG3 LYS 115 2HG LYS 115 -15.347 8.174 -8.184 735 HD3 LYS 115 2HD LYS 115 -16.228 7.346 -10.447 736 HE3 LYS 115 2HE LYS 115 -15.020 5.145 -10.201 737 HZ1 LYS 115 3HZ LYS 115 -12.931 6.433 -9.217 738 HZ2 LYS 115 1HZ LYS 115 -13.920 7.762 -9.560 739 HZ3 LYS 115 2HZ LYS 115 -13.498 6.682 -10.791 Start of MODEL 16 1 H1 MET 1 H MET 1 -18.871 5.834 0.881 2 HA MET 1 HA MET 1 -17.641 8.369 0.100 3 HB3 MET 1 2HB MET 1 -17.386 8.534 2.686 4 HG3 MET 1 2HG MET 1 -20.253 8.465 1.903 5 HE1 MET 1 3HE MET 1 -21.387 10.267 4.853 6 HE2 MET 1 1HE MET 1 -21.745 9.376 3.373 7 HE3 MET 1 2HE MET 1 -20.832 8.602 4.668 8 H ASP 2 H ASP 2 -16.072 6.662 -0.979 9 HA ASP 2 HA ASP 2 -13.845 6.260 0.910 10 HB3 ASP 2 2HB ASP 2 -13.248 4.451 -0.980 11 H THR 3 H THR 3 -12.706 8.096 0.467 12 HA THR 3 HA THR 3 -11.813 8.453 -2.320 13 HB THR 3 HB THR 3 -11.308 10.842 -0.916 14 HG1 THR 3 1HG THR 3 -13.535 11.324 -0.288 15 HG21 THR 3 3HG2 THR 3 -11.989 10.359 -3.348 16 HG22 THR 3 1HG2 THR 3 -12.606 11.830 -2.597 17 HG23 THR 3 2HG2 THR 3 -13.647 10.415 -2.751 18 H SER 4 H SER 4 -9.661 9.644 -2.440 19 HA SER 4 HA SER 4 -7.667 8.096 -1.253 20 HB3 SER 4 2HB SER 4 -7.531 9.597 -3.340 21 HG SER 4 HG SER 4 -7.844 11.622 -2.790 22 H LYS 5 H LYS 5 -9.255 10.991 -0.156 23 HA LYS 5 HA LYS 5 -7.364 11.787 1.789 24 HB3 LYS 5 2HB LYS 5 -9.153 13.263 0.957 25 HG3 LYS 5 2HG LYS 5 -11.082 11.831 2.747 26 HD3 LYS 5 2HD LYS 5 -12.650 13.013 1.068 27 HE3 LYS 5 2HE LYS 5 -12.086 15.291 2.298 28 HZ1 LYS 5 3HZ LYS 5 -13.921 13.609 2.754 29 HZ2 LYS 5 1HZ LYS 5 -13.459 14.617 4.033 30 HZ3 LYS 5 2HZ LYS 5 -12.922 13.013 3.983 31 H PHE 6 H PHE 6 -9.818 9.339 1.734 32 HA PHE 6 HA PHE 6 -9.740 8.956 4.614 33 HB3 PHE 6 2HB PHE 6 -11.101 7.045 2.759 34 HD1 PHE 6 1HD PHE 6 -10.964 5.495 4.659 35 HD2 PHE 6 2HD PHE 6 -12.883 9.280 4.987 36 HE1 PHE 6 1HE PHE 6 -12.078 4.747 6.722 37 HE2 PHE 6 2HE PHE 6 -13.998 8.539 7.051 38 HZ PHE 6 HZ PHE 6 -13.596 6.271 7.922 39 H TRP 7 H TRP 7 -8.327 7.639 1.739 40 HA TRP 7 HA TRP 7 -7.322 5.294 3.160 41 HB3 TRP 7 2HB TRP 7 -6.374 4.699 0.899 42 HD1 TRP 7 HD TRP 7 -9.607 5.841 -0.520 43 HE1 TRP 7 1HE TRP 7 -11.372 3.976 -0.338 44 HE3 TRP 7 3HE TRP 7 -7.137 2.695 2.664 45 HZ2 TRP 7 2HZ TRP 7 -11.677 1.499 0.983 46 HZ3 TRP 7 3HZ TRP 7 -8.234 0.598 3.338 47 HH2 TRP 7 HH TRP 7 -10.458 0.016 2.515 48 H TYR 8 H TYR 8 -6.429 8.445 2.753 49 HA TYR 8 HA TYR 8 -3.556 7.804 2.879 50 HB3 TYR 8 2HB TYR 8 -4.959 10.323 1.969 51 HD1 TYR 8 1HD TYR 8 -1.585 9.165 1.091 52 HD2 TYR 8 2HD TYR 8 -3.856 11.967 3.348 53 HE1 TYR 8 1HE TYR 8 0.448 10.495 1.474 54 HE2 TYR 8 2HE TYR 8 -1.830 13.305 3.736 55 HH TYR 8 HH TYR 8 0.996 12.908 2.006 56 H LYS 9 H LYS 9 -2.892 7.759 4.920 57 HA LYS 9 HA LYS 9 -3.550 10.025 6.654 58 HB3 LYS 9 2HB LYS 9 -3.765 8.367 8.576 59 HG3 LYS 9 2HG LYS 9 -6.109 7.538 7.712 60 HD3 LYS 9 2HD LYS 9 -6.171 10.450 7.803 61 HE3 LYS 9 2HE LYS 9 -7.012 9.019 10.177 62 HZ1 LYS 9 3HZ LYS 9 -7.839 11.200 9.309 63 HZ2 LYS 9 1HZ LYS 9 -9.049 10.101 9.743 64 HZ3 LYS 9 2HZ LYS 9 -8.674 10.345 8.113 65 HA PRO 10 HA PRO 10 0.913 9.619 6.927 66 HB3 PRO 10 2HB PRO 10 1.016 11.865 6.450 67 HG3 PRO 10 2HG PRO 10 -0.725 13.294 7.025 68 HD3 PRO 10 2HD PRO 10 -1.912 11.631 5.959 69 H HIS 11 H HIS 11 -1.243 10.550 9.579 70 HA HIS 11 HA HIS 11 0.651 9.898 11.628 71 HB3 HIS 11 2HB HIS 11 -1.533 10.017 13.062 72 HD1 HIS 11 1HD HIS 11 -2.358 13.111 11.724 73 HD2 HIS 11 2HD HIS 11 1.115 11.630 13.458 74 HE1 HIS 11 1HE HIS 11 -1.074 15.133 12.490 75 H LEU 12 H LEU 12 -1.725 8.168 9.813 76 HA LEU 12 HA LEU 12 -2.343 6.069 11.528 77 HB3 LEU 12 2HB LEU 12 -1.987 6.023 8.534 78 HG LEU 12 HG LEU 12 -2.873 3.900 10.324 79 HD11 LEU 12 1HD1 LEU 12 -5.086 4.379 9.899 80 HD12 LEU 12 2HD1 LEU 12 -4.698 3.286 8.572 81 HD13 LEU 12 3HD1 LEU 12 -4.749 5.027 8.293 82 HD21 LEU 12 3HD2 LEU 12 -1.215 3.355 8.778 83 HD22 LEU 12 1HD2 LEU 12 -2.036 4.191 7.459 84 HD23 LEU 12 2HD2 LEU 12 -2.682 2.670 8.077 85 H SER 13 H SER 13 -1.276 4.339 12.267 86 HA SER 13 HA SER 13 1.529 4.050 11.549 87 HB3 SER 13 2HB SER 13 -0.158 2.776 13.713 88 HG SER 13 HG SER 13 2.585 2.590 13.862 89 H ARG 14 H ARG 14 2.399 1.786 11.341 90 HA ARG 14 HA ARG 14 1.361 0.530 9.099 91 HB3 ARG 14 2HB ARG 14 3.160 -0.557 11.267 92 HG3 ARG 14 2HG ARG 14 3.852 -1.910 9.016 93 HD3 ARG 14 2HD ARG 14 2.812 -3.865 10.072 94 HE ARG 14 HE ARG 14 3.784 -2.552 12.426 95 HH11 ARG 14 1HH1 ARG 14 4.686 -3.863 9.329 96 HH12 ARG 14 2HH1 ARG 14 6.331 -4.158 9.787 97 HH21 ARG 14 1HH2 ARG 14 5.946 -2.935 13.041 98 HH22 ARG 14 2HH2 ARG 14 7.046 -3.631 11.900 99 H ASP 15 H ASP 15 1.071 -0.466 12.504 100 HA ASP 15 HA ASP 15 -0.433 -2.764 12.147 101 HB3 ASP 15 2HB ASP 15 -0.498 -0.749 14.399 102 H GLN 16 H GLN 16 -1.523 0.593 12.410 103 HA GLN 16 HA GLN 16 -4.284 0.074 12.415 104 HB3 GLN 16 2HB GLN 16 -4.312 2.485 11.367 105 HG3 GLN 16 2HG GLN 16 -3.065 3.053 13.816 106 HE21 GLN 16 1HE2 GLN 16 -4.167 4.936 13.559 107 HE22 GLN 16 2HE2 GLN 16 -5.884 5.069 13.688 108 H ALA 17 H ALA 17 -1.986 0.552 9.782 109 HA ALA 17 HA ALA 17 -3.862 0.666 7.681 110 HB1 ALA 17 1HB ALA 17 -1.136 -0.483 7.276 111 HB2 ALA 17 2HB ALA 17 -2.063 0.606 6.242 112 HB3 ALA 17 3HB ALA 17 -1.316 1.215 7.720 113 H ILE 18 H ILE 18 -2.128 -2.032 9.174 114 HA ILE 18 HA ILE 18 -2.993 -4.024 7.371 115 HB ILE 18 HB ILE 18 -2.237 -4.371 10.275 116 HG13 ILE 18 2HG1 ILE 18 0.013 -4.963 9.301 117 HG21 ILE 18 1HG2 ILE 18 -2.714 -6.252 8.019 118 HG22 ILE 18 2HG2 ILE 18 -1.462 -6.643 9.197 119 HG23 ILE 18 3HG2 ILE 18 -3.128 -6.407 9.727 120 HD11 ILE 18 3HD1 ILE 18 -0.673 -5.294 6.966 121 HD12 ILE 18 1HD1 ILE 18 -1.033 -3.571 6.847 122 HD13 ILE 18 2HD1 ILE 18 0.623 -4.109 7.134 123 H ALA 19 H ALA 19 -4.316 -2.847 10.435 124 HA ALA 19 HA ALA 19 -6.408 -4.746 10.619 125 HB1 ALA 19 1HB ALA 19 -6.594 -2.000 11.798 126 HB2 ALA 19 2HB ALA 19 -7.173 -3.535 12.446 127 HB3 ALA 19 3HB ALA 19 -5.445 -3.180 12.432 128 H LEU 20 H LEU 20 -6.141 -1.587 9.097 129 HA LEU 20 HA LEU 20 -8.920 -1.325 8.510 130 HB3 LEU 20 2HB LEU 20 -7.227 0.117 6.680 131 HG LEU 20 HG LEU 20 -9.460 0.720 8.308 132 HD11 LEU 20 1HD1 LEU 20 -8.905 2.595 9.540 133 HD12 LEU 20 2HD1 LEU 20 -7.384 2.837 8.682 134 HD13 LEU 20 3HD1 LEU 20 -7.538 1.523 9.848 135 HD21 LEU 20 3HD2 LEU 20 -9.493 2.765 6.929 136 HD22 LEU 20 1HD2 LEU 20 -9.243 1.304 5.974 137 HD23 LEU 20 2HD2 LEU 20 -7.881 2.365 6.334 138 H LEU 21 H LEU 21 -6.177 -2.760 6.895 139 HA LEU 21 HA LEU 21 -7.487 -3.054 4.360 140 HB3 LEU 21 2HB LEU 21 -5.522 -4.761 4.081 141 HG LEU 21 HG LEU 21 -4.885 -1.832 4.429 142 HD11 LEU 21 1HD1 LEU 21 -3.004 -2.311 2.927 143 HD12 LEU 21 2HD1 LEU 21 -3.399 -4.028 2.995 144 HD13 LEU 21 3HD1 LEU 21 -2.876 -3.185 4.453 145 HD21 LEU 21 3HD2 LEU 21 -5.928 -1.457 2.506 146 HD22 LEU 21 1HD2 LEU 21 -6.569 -3.097 2.588 147 HD23 LEU 21 2HD2 LEU 21 -5.066 -2.781 1.723 148 H LYS 22 H LYS 22 -6.899 -5.109 7.167 149 HA LYS 22 HA LYS 22 -8.032 -7.453 5.974 150 HB3 LYS 22 2HB LYS 22 -6.329 -7.392 7.861 151 HG3 LYS 22 2HG LYS 22 -8.780 -6.966 9.558 152 HD3 LYS 22 2HD LYS 22 -6.197 -6.758 10.842 153 HE3 LYS 22 2HE LYS 22 -7.361 -8.692 12.174 154 HZ1 LYS 22 3HZ LYS 22 -7.391 -6.817 13.393 155 HZ2 LYS 22 1HZ LYS 22 -9.026 -6.778 12.957 156 HZ3 LYS 22 2HZ LYS 22 -7.902 -5.840 12.110 157 H ASP 23 H ASP 23 -9.343 -4.637 7.264 158 HA ASP 23 HA ASP 23 -11.894 -5.972 7.878 159 HB3 ASP 23 2HB ASP 23 -11.108 -3.158 8.644 160 H LYS 24 H LYS 24 -10.426 -4.584 5.368 161 HA LYS 24 HA LYS 24 -12.894 -3.298 4.397 162 HB3 LYS 24 2HB LYS 24 -11.208 -2.135 2.780 163 HG3 LYS 24 2HG LYS 24 -10.594 -0.432 4.594 164 HD3 LYS 24 2HD LYS 24 -13.525 -1.074 4.363 165 HE3 LYS 24 2HE LYS 24 -12.288 1.632 4.134 166 HZ1 LYS 24 3HZ LYS 24 -14.491 1.930 3.896 167 HZ2 LYS 24 1HZ LYS 24 -14.499 1.872 5.586 168 HZ3 LYS 24 2HZ LYS 24 -14.902 0.494 4.692 169 H ASP 25 H ASP 25 -13.099 -3.362 1.978 170 HA ASP 25 HA ASP 25 -13.158 -5.995 1.063 171 HB3 ASP 25 2HB ASP 25 -13.136 -4.497 -1.254 172 HA PRO 26 HA PRO 26 -9.153 -6.894 -0.482 173 HB3 PRO 26 2HB PRO 26 -9.956 -8.972 -1.046 174 HG3 PRO 26 2HG PRO 26 -12.110 -9.239 -1.881 175 HD3 PRO 26 2HD PRO 26 -12.562 -7.960 -0.019 176 H GLY 27 H GLY 27 -7.604 -6.212 -1.943 177 HA2 GLY 27 2HA GLY 27 -6.792 -5.240 -3.920 178 HA3 GLY 27 3HA GLY 27 -8.442 -4.842 -4.376 179 H ALA 28 H ALA 28 -8.627 -3.790 -1.445 180 HA ALA 28 HA ALA 28 -8.204 -1.059 -2.125 181 HB1 ALA 28 1HB ALA 28 -9.986 -1.735 -0.610 182 HB2 ALA 28 2HB ALA 28 -8.793 -2.308 0.556 183 HB3 ALA 28 3HB ALA 28 -8.899 -0.590 0.174 184 H PHE 29 H PHE 29 -6.732 0.424 -1.235 185 HA PHE 29 HA PHE 29 -4.414 -0.718 0.159 186 HB3 PHE 29 2HB PHE 29 -3.955 -0.510 -2.302 187 HD1 PHE 29 2HD PHE 29 -6.048 0.831 -3.160 188 HD2 PHE 29 1HD PHE 29 -2.418 2.599 -1.814 189 HE1 PHE 29 2HE PHE 29 -6.577 2.872 -4.427 190 HE2 PHE 29 1HE PHE 29 -2.941 4.644 -3.078 191 HZ PHE 29 HZ PHE 29 -5.022 4.781 -4.388 192 H LEU 30 H LEU 30 -2.961 1.058 1.020 193 HA LEU 30 HA LEU 30 -4.269 3.591 1.542 194 HB3 LEU 30 2HB LEU 30 -3.808 1.505 3.642 195 HG LEU 30 HG LEU 30 -3.601 4.425 4.049 196 HD11 LEU 30 1HD1 LEU 30 -4.606 4.104 6.360 197 HD12 LEU 30 2HD1 LEU 30 -5.368 2.653 5.709 198 HD13 LEU 30 3HD1 LEU 30 -5.734 4.228 5.009 199 HD21 LEU 30 3HD2 LEU 30 -2.840 2.444 6.098 200 HD22 LEU 30 1HD2 LEU 30 -1.956 3.840 5.480 201 HD23 LEU 30 2HD2 LEU 30 -1.989 2.338 4.556 202 H ILE 31 H ILE 31 -2.857 5.211 2.148 203 HA ILE 31 HA ILE 31 -0.007 4.458 2.144 204 HB ILE 31 HB ILE 31 -1.230 7.080 1.275 205 HG13 ILE 31 2HG1 ILE 31 -1.686 5.146 -0.246 206 HG21 ILE 31 1HG2 ILE 31 1.613 6.080 1.210 207 HG22 ILE 31 2HG2 ILE 31 1.047 7.554 0.425 208 HG23 ILE 31 3HG2 ILE 31 0.977 7.407 2.182 209 HD11 ILE 31 3HD1 ILE 31 0.320 6.893 -1.608 210 HD12 ILE 31 1HD1 ILE 31 -1.178 6.208 -2.238 211 HD13 ILE 31 2HD1 ILE 31 -1.235 7.534 -1.078 212 H ARG 32 H ARG 32 1.339 5.260 3.695 213 HA ARG 32 HA ARG 32 0.285 7.190 5.623 214 HB3 ARG 32 2HB ARG 32 -0.155 4.823 6.422 215 HG3 ARG 32 2HG ARG 32 2.490 4.484 7.520 216 HD3 ARG 32 2HD ARG 32 0.838 2.670 5.770 217 HE ARG 32 HE ARG 32 3.225 2.209 7.315 218 HH11 ARG 32 1HH1 ARG 32 0.352 0.786 5.957 219 HH12 ARG 32 2HH1 ARG 32 1.005 -0.819 5.927 220 HH21 ARG 32 1HH2 ARG 32 4.095 0.101 7.280 221 HH22 ARG 32 2HH2 ARG 32 3.133 -1.207 6.681 222 H ASP 33 H ASP 33 2.004 7.974 7.120 223 HA ASP 33 HA ASP 33 4.300 8.742 5.640 224 HB3 ASP 33 2HB ASP 33 4.186 9.008 8.619 225 H SER 34 H SER 34 6.088 7.615 5.309 226 HA SER 34 HA SER 34 6.655 5.279 6.945 227 HB3 SER 34 2HB SER 34 8.463 6.105 4.722 228 HG SER 34 HG SER 34 8.589 4.085 5.953 229 H HIS 35 H HIS 35 7.366 6.161 8.886 230 HA HIS 35 HA HIS 35 9.387 8.152 9.055 231 HB3 HIS 35 2HB HIS 35 9.542 7.123 11.479 232 HD1 HIS 35 1HD HIS 35 6.495 7.564 12.518 233 HD2 HIS 35 2HD HIS 35 8.727 10.042 10.041 234 HE1 HIS 35 1HE HIS 35 5.479 9.851 12.763 235 H SER 36 H SER 36 9.502 4.885 8.259 236 HA SER 36 HA SER 36 11.803 3.917 9.439 237 HB3 SER 36 2HB SER 36 10.992 3.437 6.563 238 HG SER 36 HG SER 36 12.227 1.698 6.702 239 H PHE 37 H PHE 37 11.560 5.669 6.345 240 HA PHE 37 HA PHE 37 14.270 6.685 6.778 241 HB3 PHE 37 2HB PHE 37 13.848 6.089 3.974 242 HD1 PHE 37 2HD PHE 37 15.636 4.774 6.978 243 HD2 PHE 37 1HD PHE 37 15.910 6.280 3.006 244 HE1 PHE 37 2HE PHE 37 18.088 4.613 7.090 245 HE2 PHE 37 1HE PHE 37 18.363 6.119 3.112 246 HZ PHE 37 HZ PHE 37 19.456 5.285 5.155 247 H GLN 38 H GLN 38 14.775 8.577 5.495 248 HA GLN 38 HA GLN 38 12.616 10.406 5.384 249 HB3 GLN 38 2HB GLN 38 14.670 11.557 3.916 250 HG3 GLN 38 2HG GLN 38 14.259 11.540 6.897 251 HE21 GLN 38 1HE2 GLN 38 14.809 14.387 5.091 252 HE22 GLN 38 2HE2 GLN 38 16.408 14.714 5.659 253 H GLY 39 H GLY 39 11.588 11.365 3.635 254 HA2 GLY 39 2HA GLY 39 10.623 11.435 1.554 255 HA3 GLY 39 3HA GLY 39 12.205 10.983 0.936 256 H ALA 40 H ALA 40 10.157 9.077 3.089 257 HA ALA 40 HA ALA 40 9.745 7.154 0.896 258 HB1 ALA 40 1HB ALA 40 10.522 6.509 3.738 259 HB2 ALA 40 2HB ALA 40 10.056 5.321 2.521 260 HB3 ALA 40 3HB ALA 40 11.513 6.288 2.296 261 H TYR 41 H TYR 41 7.789 6.089 0.854 262 HA TYR 41 HA TYR 41 5.817 6.905 2.887 263 HB3 TYR 41 2HB TYR 41 4.230 6.529 0.751 264 HD1 TYR 41 2HD TYR 41 3.081 8.053 2.307 265 HD2 TYR 41 1HD TYR 41 6.475 9.313 0.071 266 HE1 TYR 41 2HE TYR 41 2.521 10.399 2.790 267 HE2 TYR 41 1HE TYR 41 5.926 11.662 0.549 268 HH TYR 41 HH TYR 41 4.584 13.052 1.645 269 H GLY 42 H GLY 42 4.568 5.332 3.737 270 HA2 GLY 42 2HA GLY 42 5.197 2.590 2.994 271 HA3 GLY 42 3HA GLY 42 4.274 3.106 4.398 272 H LEU 43 H LEU 43 4.062 1.544 1.511 273 HA LEU 43 HA LEU 43 1.235 2.269 1.133 274 HB3 LEU 43 2HB LEU 43 3.199 0.990 -0.762 275 HG LEU 43 HG LEU 43 0.754 0.272 -1.095 276 HD11 LEU 43 1HD1 LEU 43 -0.413 2.286 -0.713 277 HD12 LEU 43 2HD1 LEU 43 -0.519 1.984 -2.447 278 HD13 LEU 43 3HD1 LEU 43 0.616 3.184 -1.829 279 HD21 LEU 43 3HD2 LEU 43 2.071 1.698 -3.396 280 HD22 LEU 43 1HD2 LEU 43 1.014 0.288 -3.456 281 HD23 LEU 43 2HD2 LEU 43 2.629 0.148 -2.763 282 H ALA 44 H ALA 44 -0.275 0.829 1.652 283 HA ALA 44 HA ALA 44 0.536 -1.986 1.989 284 HB1 ALA 44 1HB ALA 44 -0.115 -0.501 4.057 285 HB2 ALA 44 2HB ALA 44 -1.756 -0.871 3.529 286 HB3 ALA 44 3HB ALA 44 -0.647 -2.179 3.941 287 H LEU 45 H LEU 45 -0.775 -3.559 1.160 288 HA LEU 45 HA LEU 45 -3.286 -2.731 -0.114 289 HB3 LEU 45 2HB LEU 45 -1.070 -4.320 -1.392 290 HG LEU 45 HG LEU 45 -3.089 -5.360 -2.171 291 HD11 LEU 45 1HD1 LEU 45 -4.995 -4.228 -2.079 292 HD12 LEU 45 2HD1 LEU 45 -4.484 -3.361 -3.526 293 HD13 LEU 45 3HD1 LEU 45 -4.144 -2.691 -1.931 294 HD21 LEU 45 3HD2 LEU 45 -1.539 -3.589 -3.949 295 HD22 LEU 45 1HD2 LEU 45 -3.045 -4.227 -4.609 296 HD23 LEU 45 2HD2 LEU 45 -1.800 -5.332 -4.024 297 H LYS 46 H LYS 46 -4.905 -4.240 -0.097 298 HA LYS 46 HA LYS 46 -4.407 -6.608 1.554 299 HB3 LYS 46 2HB LYS 46 -7.041 -5.382 0.718 300 HG3 LYS 46 2HG LYS 46 -7.150 -7.770 1.415 301 HD3 LYS 46 2HD LYS 46 -6.374 -6.714 4.130 302 HE3 LYS 46 2HE LYS 46 -6.649 -9.546 3.133 303 HZ1 LYS 46 3HZ LYS 46 -6.304 -8.368 5.833 304 HZ2 LYS 46 1HZ LYS 46 -5.250 -9.419 5.029 305 HZ3 LYS 46 2HZ LYS 46 -6.754 -9.976 5.566 306 H VAL 47 H VAL 47 -4.652 -8.647 0.816 307 HA VAL 47 HA VAL 47 -5.090 -8.980 -2.051 308 HB VAL 47 HB VAL 47 -4.182 -11.196 -1.804 309 HG11 VAL 47 1HG1 VAL 47 -2.721 -9.027 -1.658 310 HG12 VAL 47 2HG1 VAL 47 -2.392 -9.606 -0.025 311 HG13 VAL 47 3HG1 VAL 47 -1.993 -10.614 -1.417 312 HG21 VAL 47 3HG2 VAL 47 -3.293 -11.542 0.744 313 HG22 VAL 47 1HG2 VAL 47 -4.850 -10.760 1.017 314 HG23 VAL 47 2HG2 VAL 47 -4.765 -12.257 0.088 315 H ALA 48 H ALA 48 -6.459 -10.700 -2.854 316 HA ALA 48 HA ALA 48 -9.046 -10.654 -1.743 317 HB1 ALA 48 1HB ALA 48 -9.685 -11.650 -3.654 318 HB2 ALA 48 2HB ALA 48 -8.035 -11.300 -4.171 319 HB3 ALA 48 3HB ALA 48 -8.442 -12.897 -3.541 320 H THR 49 H THR 49 -6.793 -13.407 -2.046 321 HA THR 49 HA THR 49 -7.154 -14.345 0.572 322 HB THR 49 HB THR 49 -9.348 -15.012 0.201 323 HG1 THR 49 1HG THR 49 -9.208 -17.337 -0.088 324 HG21 THR 49 3HG2 THR 49 -10.026 -16.246 -1.904 325 HG22 THR 49 1HG2 THR 49 -8.465 -15.778 -2.576 326 HG23 THR 49 2HG2 THR 49 -9.630 -14.539 -2.107 327 HA PRO 50 HA PRO 50 -3.656 -16.692 -0.693 328 HB3 PRO 50 2HB PRO 50 -3.143 -16.866 1.540 329 HG3 PRO 50 2HG PRO 50 -4.815 -17.072 3.142 330 HD3 PRO 50 2HD PRO 50 -5.613 -15.257 1.967 331 HA PRO 51 HA PRO 51 -4.836 -20.288 -2.931 332 HB3 PRO 51 2HB PRO 51 -2.663 -20.443 -3.660 333 HG3 PRO 51 2HG PRO 51 -0.885 -19.970 -2.239 334 HD3 PRO 51 2HD PRO 51 -2.176 -18.091 -1.897 335 HA PRO 52 HA PRO 52 -6.504 -23.471 -0.397 336 HB3 PRO 52 2HB PRO 52 -7.427 -24.380 -2.294 337 HG3 PRO 52 2HG PRO 52 -6.259 -24.400 -4.305 338 HD3 PRO 52 2HD PRO 52 -6.011 -22.183 -3.724 339 H SER 53 H SER 53 -3.251 -23.800 -1.548 340 HA SER 53 HA SER 53 -2.705 -25.828 0.516 341 HB3 SER 53 2HB SER 53 -0.644 -26.334 -0.791 342 HG SER 53 HG SER 53 -2.401 -26.653 -2.804 343 H ALA 54 H ALA 54 -2.933 -22.917 0.900 344 HA ALA 54 HA ALA 54 -0.382 -21.741 1.165 345 HB1 ALA 54 1HB ALA 54 -1.920 -20.094 1.261 346 HB2 ALA 54 2HB ALA 54 -3.121 -21.114 2.058 347 HB3 ALA 54 3HB ALA 54 -1.814 -20.392 2.997 348 H GLN 55 H GLN 55 -2.199 -23.913 3.182 349 HA GLN 55 HA GLN 55 -1.736 -24.956 5.149 350 HB3 GLN 55 2HB GLN 55 0.645 -25.368 5.667 351 HG3 GLN 55 2HG GLN 55 0.627 -25.615 2.722 352 HE21 GLN 55 1HE2 GLN 55 -0.104 -28.039 5.127 353 HE22 GLN 55 2HE2 GLN 55 1.408 -28.868 5.035 354 HA PRO 56 HA PRO 56 -1.484 -20.815 7.284 355 HB3 PRO 56 2HB PRO 56 -3.675 -20.314 6.812 356 HG3 PRO 56 2HG PRO 56 -5.210 -21.991 6.319 357 HD3 PRO 56 2HD PRO 56 -3.508 -22.577 4.881 358 H TRP 57 H TRP 57 -1.309 -20.427 9.536 359 HA TRP 57 HA TRP 57 -0.532 -22.753 11.046 360 HB3 TRP 57 2HB TRP 57 -0.619 -20.342 12.625 361 HD1 TRP 57 HD TRP 57 1.325 -20.585 14.279 362 HE1 TRP 57 1HE TRP 57 3.508 -21.947 14.362 363 HE3 TRP 57 3HE TRP 57 1.197 -22.612 9.588 364 HZ2 TRP 57 2HZ TRP 57 4.981 -23.653 12.662 365 HZ3 TRP 57 3HZ TRP 57 3.031 -24.098 8.894 366 HH2 TRP 57 HH TRP 57 4.884 -24.606 10.401 367 H LYS 58 H LYS 58 -1.249 -22.980 13.356 368 HA LYS 58 HA LYS 58 -3.975 -23.512 13.499 369 HB3 LYS 58 2HB LYS 58 -2.200 -22.941 15.874 370 HG3 LYS 58 2HG LYS 58 -4.240 -25.115 15.705 371 HD3 LYS 58 2HD LYS 58 -2.686 -23.693 17.803 372 HE3 LYS 58 2HE LYS 58 -5.057 -23.258 18.382 373 HZ1 LYS 58 3HZ LYS 58 -6.467 -24.881 17.817 374 HZ2 LYS 58 1HZ LYS 58 -6.002 -25.610 19.271 375 HZ3 LYS 58 2HZ LYS 58 -5.273 -26.080 17.819 376 H GLY 59 H GLY 59 -2.235 -20.572 14.103 377 HA2 GLY 59 2HA GLY 59 -4.404 -19.317 15.550 378 HA3 GLY 59 3HA GLY 59 -2.909 -18.550 15.033 379 H ASP 60 H ASP 60 -3.949 -16.723 14.235 380 HA ASP 60 HA ASP 60 -5.354 -17.161 11.689 381 HB3 ASP 60 2HB ASP 60 -6.778 -15.158 12.252 382 HA PRO 61 HA PRO 61 -1.739 -14.284 11.216 383 HB3 PRO 61 2HB PRO 61 -0.351 -16.009 10.603 384 HG3 PRO 61 2HG PRO 61 -1.209 -17.993 9.746 385 HD3 PRO 61 2HD PRO 61 -2.519 -17.776 11.630 386 H VAL 62 H VAL 62 -3.539 -12.790 10.737 387 HA VAL 62 HA VAL 62 -4.650 -12.707 8.098 388 HB VAL 62 HB VAL 62 -5.816 -11.801 10.109 389 HG11 VAL 62 1HG1 VAL 62 -5.190 -9.710 11.066 390 HG12 VAL 62 2HG1 VAL 62 -3.759 -10.741 11.075 391 HG13 VAL 62 3HG1 VAL 62 -3.924 -9.471 9.863 392 HG21 VAL 62 3HG2 VAL 62 -7.014 -10.383 8.823 393 HG22 VAL 62 1HG2 VAL 62 -5.595 -9.450 8.347 394 HG23 VAL 62 2HG2 VAL 62 -5.956 -10.978 7.543 395 H GLU 63 H GLU 63 -1.877 -11.319 9.685 396 HA GLU 63 HA GLU 63 -1.323 -9.163 8.024 397 HB3 GLU 63 2HB GLU 63 0.984 -10.799 8.912 398 HG3 GLU 63 2HG GLU 63 0.250 -7.946 9.519 399 H GLN 64 H GLN 64 -1.030 -12.563 7.435 400 HA GLN 64 HA GLN 64 0.813 -12.452 5.287 401 HB3 GLN 64 2HB GLN 64 -1.095 -14.621 5.049 402 HG3 GLN 64 2HG GLN 64 0.856 -16.022 5.517 403 HE21 GLN 64 1HE2 GLN 64 -0.478 -15.382 3.299 404 HE22 GLN 64 2HE2 GLN 64 0.604 -14.998 2.008 405 H LEU 65 H LEU 65 -2.585 -11.837 5.542 406 HA LEU 65 HA LEU 65 -3.017 -11.985 2.675 407 HB3 LEU 65 2HB LEU 65 -5.316 -11.085 3.373 408 HG LEU 65 HG LEU 65 -4.509 -13.670 3.229 409 HD11 LEU 65 1HD1 LEU 65 -4.053 -13.599 5.704 410 HD12 LEU 65 2HD1 LEU 65 -5.147 -14.872 5.166 411 HD13 LEU 65 3HD1 LEU 65 -5.793 -13.424 5.938 412 HD21 LEU 65 3HD2 LEU 65 -7.094 -12.294 3.680 413 HD22 LEU 65 1HD2 LEU 65 -7.072 -14.049 3.854 414 HD23 LEU 65 2HD2 LEU 65 -6.565 -13.308 2.336 415 H VAL 66 H VAL 66 -1.454 -9.856 4.487 416 HA VAL 66 HA VAL 66 -2.334 -7.572 2.850 417 HB VAL 66 HB VAL 66 -1.438 -7.404 5.730 418 HG11 VAL 66 1HG1 VAL 66 -1.987 -5.394 3.617 419 HG12 VAL 66 2HG1 VAL 66 -2.498 -5.018 5.263 420 HG13 VAL 66 3HG1 VAL 66 -0.803 -5.370 4.923 421 HG21 VAL 66 3HG2 VAL 66 -4.045 -6.380 5.371 422 HG22 VAL 66 1HG2 VAL 66 -4.000 -7.970 4.608 423 HG23 VAL 66 2HG2 VAL 66 -3.549 -7.793 6.304 424 H ARG 67 H ARG 67 -0.759 -6.677 1.692 425 HA ARG 67 HA ARG 67 2.028 -7.276 2.437 426 HB3 ARG 67 2HB ARG 67 1.864 -6.399 -0.264 427 HG3 ARG 67 2HG ARG 67 2.916 -8.631 1.212 428 HD3 ARG 67 2HD ARG 67 2.073 -9.330 -1.578 429 HE ARG 67 HE ARG 67 2.505 -11.376 0.398 430 HH11 ARG 67 1HH1 ARG 67 3.997 -9.321 -1.983 431 HH12 ARG 67 2HH1 ARG 67 5.359 -10.366 -2.221 432 HH21 ARG 67 1HH2 ARG 67 4.293 -12.759 0.095 433 HH22 ARG 67 2HH2 ARG 67 5.526 -12.322 -1.039 434 H HIS 68 H HIS 68 3.072 -5.593 3.250 435 HA HIS 68 HA HIS 68 2.436 -2.908 2.214 436 HB3 HIS 68 2HB HIS 68 1.657 -3.165 4.526 437 HD1 HIS 68 1HD HIS 68 2.214 -5.489 5.618 438 HD2 HIS 68 2HD HIS 68 5.248 -2.661 5.863 439 HE1 HIS 68 1HE HIS 68 3.817 -6.371 7.344 440 H PHE 69 H PHE 69 4.068 -1.881 1.270 441 HA PHE 69 HA PHE 69 6.819 -2.606 2.013 442 HB3 PHE 69 2HB PHE 69 7.328 -2.169 -0.496 443 HD1 PHE 69 1HD PHE 69 8.224 -4.082 1.372 444 HD2 PHE 69 2HD PHE 69 5.229 -4.525 -1.620 445 HE1 PHE 69 1HE PHE 69 8.628 -6.508 1.332 446 HE2 PHE 69 2HE PHE 69 5.627 -6.952 -1.665 447 HZ PHE 69 HZ PHE 69 7.328 -7.947 -0.187 448 H LEU 70 H LEU 70 8.408 -0.958 1.598 449 HA LEU 70 HA LEU 70 7.260 1.727 1.811 450 HB3 LEU 70 2HB LEU 70 8.692 1.306 3.609 451 HG LEU 70 HG LEU 70 10.359 -0.200 1.729 452 HD11 LEU 70 1HD1 LEU 70 12.076 1.285 1.908 453 HD12 LEU 70 2HD1 LEU 70 12.349 0.354 3.381 454 HD13 LEU 70 3HD1 LEU 70 11.525 1.910 3.463 455 HD21 LEU 70 3HD2 LEU 70 9.496 -0.272 4.556 456 HD22 LEU 70 1HD2 LEU 70 11.049 -1.020 4.180 457 HD23 LEU 70 2HD2 LEU 70 9.586 -1.565 3.359 458 H ILE 71 H ILE 71 7.364 3.112 0.174 459 HA ILE 71 HA ILE 71 9.138 2.480 -2.081 460 HB ILE 71 HB ILE 71 6.790 4.373 -2.089 461 HG13 ILE 71 2HG1 ILE 71 6.952 1.419 -2.440 462 HG21 ILE 71 1HG2 ILE 71 7.016 4.454 -4.408 463 HG22 ILE 71 2HG2 ILE 71 8.678 4.519 -3.825 464 HG23 ILE 71 3HG2 ILE 71 8.024 3.007 -4.455 465 HD11 ILE 71 3HD1 ILE 71 5.261 1.375 -1.013 466 HD12 ILE 71 1HD1 ILE 71 5.548 3.095 -0.754 467 HD13 ILE 71 2HD1 ILE 71 4.352 2.570 -1.938 468 H GLU 72 H GLU 72 10.678 3.873 -2.753 469 HA GLU 72 HA GLU 72 10.962 6.379 -1.233 470 HB3 GLU 72 2HB GLU 72 13.282 5.267 -2.711 471 HG3 GLU 72 2HG GLU 72 12.859 6.608 -0.066 472 H THR 73 H THR 73 11.010 8.270 -2.288 473 HA THR 73 HA THR 73 11.129 8.197 -5.233 474 HB THR 73 HB THR 73 8.892 8.776 -4.675 475 HG1 THR 73 1HG THR 73 8.993 11.176 -5.225 476 HG21 THR 73 3HG2 THR 73 9.320 9.345 -2.302 477 HG22 THR 73 1HG2 THR 73 8.285 10.522 -3.110 478 HG23 THR 73 2HG2 THR 73 9.985 10.894 -2.819 479 H GLY 74 H GLY 74 12.809 9.237 -6.071 480 HA2 GLY 74 2HA GLY 74 13.872 11.581 -4.633 481 HA3 GLY 74 3HA GLY 74 14.956 10.317 -5.193 482 HA PRO 75 HA PRO 75 14.702 13.588 -8.473 483 HB3 PRO 75 2HB PRO 75 16.544 14.679 -7.637 484 HG3 PRO 75 2HG PRO 75 18.095 13.567 -6.308 485 HD3 PRO 75 2HD PRO 75 16.148 12.965 -5.234 486 H LYS 76 H LYS 76 15.699 10.375 -8.186 487 HA LYS 76 HA LYS 76 16.231 10.145 -11.070 488 HB3 LYS 76 2HB LYS 76 17.976 9.257 -9.558 489 HG3 LYS 76 2HG LYS 76 15.967 7.160 -8.772 490 HD3 LYS 76 2HD LYS 76 18.875 7.595 -8.329 491 HE3 LYS 76 2HE LYS 76 17.719 5.775 -6.388 492 HZ1 LYS 76 3HZ LYS 76 19.168 7.982 -5.339 493 HZ2 LYS 76 1HZ LYS 76 19.976 7.318 -6.669 494 HZ3 LYS 76 2HZ LYS 76 19.578 6.340 -5.348 495 H GLY 77 H GLY 77 13.713 9.962 -9.017 496 HA2 GLY 77 2HA GLY 77 11.598 9.272 -10.099 497 HA3 GLY 77 3HA GLY 77 12.432 7.800 -10.575 498 H VAL 78 H VAL 78 10.221 7.232 -9.400 499 HA VAL 78 HA VAL 78 10.859 6.732 -6.565 500 HB VAL 78 HB VAL 78 8.893 8.173 -6.838 501 HG11 VAL 78 1HG1 VAL 78 7.614 5.847 -8.267 502 HG12 VAL 78 2HG1 VAL 78 6.891 7.420 -7.930 503 HG13 VAL 78 3HG1 VAL 78 8.232 7.291 -9.068 504 HG21 VAL 78 3HG2 VAL 78 9.113 6.371 -5.032 505 HG22 VAL 78 1HG2 VAL 78 7.513 7.060 -5.307 506 HG23 VAL 78 2HG2 VAL 78 7.914 5.472 -5.961 507 H LYS 79 H LYS 79 11.035 4.682 -5.923 508 HA LYS 79 HA LYS 79 9.844 2.566 -7.576 509 HB3 LYS 79 2HB LYS 79 12.276 2.827 -8.102 510 HG3 LYS 79 2HG LYS 79 12.684 1.840 -5.286 511 HD3 LYS 79 2HD LYS 79 14.218 1.413 -7.582 512 HE3 LYS 79 2HE LYS 79 16.024 2.990 -5.913 513 HZ1 LYS 79 3HZ LYS 79 16.777 2.068 -7.959 514 HZ2 LYS 79 1HZ LYS 79 16.736 3.749 -8.147 515 HZ3 LYS 79 2HZ LYS 79 15.520 2.791 -8.830 516 H ILE 80 H ILE 80 9.317 0.644 -6.469 517 HA ILE 80 HA ILE 80 8.845 1.051 -3.624 518 HB ILE 80 HB ILE 80 7.927 -1.240 -5.360 519 HG13 ILE 80 2HG1 ILE 80 7.098 1.492 -5.360 520 HG21 ILE 80 1HG2 ILE 80 6.364 -0.451 -3.012 521 HG22 ILE 80 2HG2 ILE 80 6.833 -2.053 -3.579 522 HG23 ILE 80 3HG2 ILE 80 7.970 -1.081 -2.645 523 HD11 ILE 80 3HD1 ILE 80 7.113 -0.098 -7.291 524 HD12 ILE 80 1HD1 ILE 80 5.655 -0.824 -6.613 525 HD13 ILE 80 2HD1 ILE 80 5.646 0.866 -7.120 526 H LYS 81 H LYS 81 10.222 0.309 -2.166 527 HA LYS 81 HA LYS 81 12.318 -1.518 -2.840 528 HB3 LYS 81 2HB LYS 81 11.631 -0.846 -0.008 529 HG3 LYS 81 2HG LYS 81 13.658 -2.179 -0.558 530 HD3 LYS 81 2HD LYS 81 15.299 0.037 -1.347 531 HE3 LYS 81 2HE LYS 81 16.016 -1.492 -3.087 532 HZ1 LYS 81 3HZ LYS 81 16.846 -3.164 -1.745 533 HZ2 LYS 81 1HZ LYS 81 15.465 -3.231 -0.769 534 HZ3 LYS 81 2HZ LYS 81 16.537 -1.930 -0.631 535 H GLY 82 H GLY 82 11.891 -3.612 -3.143 536 HA2 GLY 82 2HA GLY 82 11.254 -5.398 -1.173 537 HA3 GLY 82 3HA GLY 82 9.699 -4.939 -1.851 538 H CYS 83 H CYS 83 11.003 -4.554 -4.530 539 HA CYS 83 HA CYS 83 11.607 -7.336 -5.225 540 HB3 CYS 83 2HB CYS 83 9.293 -7.259 -5.712 541 HG CYS 83 HG CYS 83 8.481 -4.676 -5.403 542 HA PRO 84 HA PRO 84 14.683 -5.644 -7.854 543 HB3 PRO 84 2HB PRO 84 15.352 -7.802 -8.272 544 HG3 PRO 84 2HG PRO 84 13.799 -9.520 -8.484 545 HD3 PRO 84 2HD PRO 84 13.078 -8.575 -6.510 546 H SER 85 H SER 85 11.447 -5.809 -8.813 547 HA SER 85 HA SER 85 11.499 -5.088 -11.498 548 HB3 SER 85 2HB SER 85 9.478 -3.933 -9.592 549 HG SER 85 HG SER 85 9.309 -3.568 -11.876 550 H GLU 86 H GLU 86 10.868 -2.803 -8.834 551 HA GLU 86 HA GLU 86 11.071 -0.505 -8.829 552 HB3 GLU 86 2HB GLU 86 13.158 -1.133 -7.869 553 HG3 GLU 86 2HG GLU 86 14.143 -1.562 -10.678 554 HA PRO 87 HA PRO 87 10.835 -0.066 -13.472 555 HB3 PRO 87 2HB PRO 87 8.649 -0.773 -13.544 556 HG3 PRO 87 2HG PRO 87 7.291 -0.662 -11.660 557 HD3 PRO 87 2HD PRO 87 9.132 -1.714 -10.759 558 H TYR 88 H TYR 88 11.175 1.812 -10.816 559 HA TYR 88 HA TYR 88 11.312 4.071 -10.390 560 HB3 TYR 88 2HB TYR 88 13.447 3.897 -11.283 561 HD1 TYR 88 2HD TYR 88 12.198 4.808 -14.604 562 HD2 TYR 88 1HD TYR 88 13.902 1.712 -12.236 563 HE1 TYR 88 2HE TYR 88 12.712 3.537 -16.646 564 HE2 TYR 88 1HE TYR 88 14.422 0.432 -14.271 565 HH TYR 88 HH TYR 88 14.465 0.460 -16.502 566 H PHE 89 H PHE 89 9.022 4.480 -10.586 567 HA PHE 89 HA PHE 89 8.038 5.529 -13.103 568 HB3 PHE 89 2HB PHE 89 5.957 5.973 -11.623 569 HD1 PHE 89 1HD PHE 89 6.176 4.750 -14.085 570 HD2 PHE 89 2HD PHE 89 6.079 2.853 -10.276 571 HE1 PHE 89 1HE PHE 89 5.339 2.689 -15.136 572 HE2 PHE 89 2HE PHE 89 5.243 0.788 -11.321 573 HZ PHE 89 HZ PHE 89 4.873 0.704 -13.755 574 H GLY 90 H GLY 90 6.474 7.593 -12.578 575 HA2 GLY 90 2HA GLY 90 8.311 9.747 -12.224 576 HA3 GLY 90 3HA GLY 90 6.576 9.890 -12.467 577 H SER 91 H SER 91 5.260 9.164 -10.477 578 HA SER 91 HA SER 91 6.605 9.889 -7.978 579 HB3 SER 91 2HB SER 91 5.365 11.868 -9.170 580 HG SER 91 HG SER 91 3.363 11.175 -9.521 581 H LEU 92 H LEU 92 4.923 9.648 -6.104 582 HA LEU 92 HA LEU 92 4.240 6.977 -5.879 583 HB3 LEU 92 2HB LEU 92 2.567 7.966 -4.093 584 HG LEU 92 HG LEU 92 5.306 7.319 -3.936 585 HD11 LEU 92 1HD1 LEU 92 6.199 9.357 -3.518 586 HD12 LEU 92 2HD1 LEU 92 5.639 8.992 -1.887 587 HD13 LEU 92 3HD1 LEU 92 4.677 10.033 -2.937 588 HD21 LEU 92 3HD2 LEU 92 4.706 6.463 -1.905 589 HD22 LEU 92 1HD2 LEU 92 3.113 6.621 -2.646 590 HD23 LEU 92 2HD2 LEU 92 3.678 7.839 -1.502 591 H SER 93 H SER 93 2.308 9.686 -7.023 592 HA SER 93 HA SER 93 -0.156 8.274 -7.146 593 HB3 SER 93 2HB SER 93 -0.528 10.241 -8.950 594 HG SER 93 HG SER 93 -0.847 11.601 -6.951 595 H ALA 94 H ALA 94 2.509 8.748 -9.377 596 HA ALA 94 HA ALA 94 1.219 7.772 -11.700 597 HB1 ALA 94 1HB ALA 94 4.160 7.457 -11.311 598 HB2 ALA 94 2HB ALA 94 3.259 7.950 -12.745 599 HB3 ALA 94 3HB ALA 94 3.467 9.077 -11.404 600 H LEU 95 H LEU 95 3.291 6.207 -9.276 601 HA LEU 95 HA LEU 95 3.189 3.642 -10.521 602 HB3 LEU 95 2HB LEU 95 5.050 4.129 -9.132 603 HG LEU 95 HG LEU 95 3.657 5.672 -7.516 604 HD11 LEU 95 1HD1 LEU 95 3.174 2.957 -6.511 605 HD12 LEU 95 2HD1 LEU 95 2.266 4.446 -6.253 606 HD13 LEU 95 3HD1 LEU 95 3.712 4.119 -5.299 607 HD21 LEU 95 3HD2 LEU 95 6.219 4.432 -7.445 608 HD22 LEU 95 1HD2 LEU 95 5.596 4.536 -5.798 609 HD23 LEU 95 2HD2 LEU 95 5.726 5.992 -6.786 610 H VAL 96 H VAL 96 1.254 5.313 -8.145 611 HA VAL 96 HA VAL 96 -0.138 3.035 -7.162 612 HB VAL 96 HB VAL 96 -0.587 5.988 -7.020 613 HG11 VAL 96 1HG1 VAL 96 -2.613 3.856 -6.426 614 HG12 VAL 96 2HG1 VAL 96 -2.631 5.410 -5.591 615 HG13 VAL 96 3HG1 VAL 96 -2.813 5.348 -7.345 616 HG21 VAL 96 3HG2 VAL 96 0.446 5.700 -5.075 617 HG22 VAL 96 1HG2 VAL 96 -0.854 4.631 -4.546 618 HG23 VAL 96 2HG2 VAL 96 0.551 3.965 -5.376 619 H SER 97 H SER 97 -0.807 5.407 -9.701 620 HA SER 97 HA SER 97 -3.385 4.373 -10.337 621 HB3 SER 97 2HB SER 97 -2.553 6.712 -10.843 622 HG SER 97 HG SER 97 -0.989 6.955 -12.218 623 H GLN 98 H GLN 98 -0.135 3.882 -11.619 624 HA GLN 98 HA GLN 98 -0.921 2.286 -13.830 625 HB3 GLN 98 2HB GLN 98 1.651 1.495 -13.256 626 HG3 GLN 98 2HG GLN 98 2.405 3.235 -14.808 627 HE21 GLN 98 1HE2 GLN 98 0.364 3.737 -16.875 628 HE22 GLN 98 2HE2 GLN 98 0.049 2.198 -17.596 629 H HIS 99 H HIS 99 -0.252 1.615 -10.474 630 HA HIS 99 HA HIS 99 0.173 -1.147 -10.608 631 HB3 HIS 99 2HB HIS 99 -1.142 -0.823 -8.220 632 HD1 HIS 99 1HD HIS 99 0.519 -1.046 -6.231 633 HD2 HIS 99 2HD HIS 99 2.328 -0.518 -9.933 634 HE1 HIS 99 1HE HIS 99 2.942 -1.627 -5.884 635 H SER 100 H SER 100 -2.675 0.702 -11.092 636 HA SER 100 HA SER 100 -4.452 -1.559 -10.634 637 HB3 SER 100 2HB SER 100 -5.119 1.225 -11.618 638 HG SER 100 HG SER 100 -7.073 0.079 -10.260 639 H ILE 101 H ILE 101 -2.401 -0.959 -12.970 640 HA ILE 101 HA ILE 101 -4.199 -1.974 -15.063 641 HB ILE 101 HB ILE 101 -1.982 0.021 -15.533 642 HG13 ILE 101 2HG1 ILE 101 -3.947 1.010 -14.395 643 HG21 ILE 101 1HG2 ILE 101 -4.031 -1.124 -17.425 644 HG22 ILE 101 2HG2 ILE 101 -2.811 0.085 -17.821 645 HG23 ILE 101 3HG2 ILE 101 -2.320 -1.550 -17.379 646 HD11 ILE 101 3HD1 ILE 101 -3.830 2.877 -15.585 647 HD12 ILE 101 1HD1 ILE 101 -2.763 1.991 -16.673 648 HD13 ILE 101 2HD1 ILE 101 -4.487 2.099 -17.024 649 H SER 102 H SER 102 -0.914 -1.727 -13.810 650 HA SER 102 HA SER 102 -0.331 -4.348 -14.977 651 HB3 SER 102 2HB SER 102 1.734 -3.684 -15.934 652 HG SER 102 HG SER 102 0.939 -2.525 -17.515 653 HA PRO 103 HA PRO 103 0.874 -4.058 -10.521 654 HB3 PRO 103 2HB PRO 103 -1.098 -5.047 -9.881 655 HG3 PRO 103 2HG PRO 103 -2.309 -6.374 -11.357 656 HD3 PRO 103 2HD PRO 103 -1.973 -4.516 -12.679 657 H ILE 104 H ILE 104 2.837 -4.677 -9.862 658 HA ILE 104 HA ILE 104 4.182 -6.833 -11.334 659 HB ILE 104 HB ILE 104 5.383 -4.666 -9.606 660 HG13 ILE 104 2HG1 ILE 104 4.360 -3.894 -11.760 661 HG21 ILE 104 1HG2 ILE 104 6.441 -7.144 -10.491 662 HG22 ILE 104 2HG2 ILE 104 7.254 -5.855 -11.378 663 HG23 ILE 104 3HG2 ILE 104 7.258 -5.851 -9.614 664 HD11 ILE 104 3HD1 ILE 104 6.936 -3.338 -12.667 665 HD12 ILE 104 1HD1 ILE 104 5.912 -2.325 -11.650 666 HD13 ILE 104 2HD1 ILE 104 7.063 -3.441 -10.912 667 H SER 105 H SER 105 4.578 -5.514 -8.050 668 HA SER 105 HA SER 105 4.946 -8.231 -7.049 669 HB3 SER 105 2HB SER 105 5.328 -5.556 -5.680 670 HG SER 105 HG SER 105 6.698 -7.490 -4.530 671 H LEU 106 H LEU 106 2.333 -7.630 -7.841 672 HA LEU 106 HA LEU 106 0.954 -7.854 -5.265 673 HB3 LEU 106 2HB LEU 106 -0.889 -6.455 -6.112 674 HG LEU 106 HG LEU 106 1.733 -4.961 -6.165 675 HD11 LEU 106 1HD1 LEU 106 -1.105 -4.109 -6.296 676 HD12 LEU 106 2HD1 LEU 106 0.330 -3.390 -7.025 677 HD13 LEU 106 3HD1 LEU 106 -0.001 -3.152 -5.308 678 HD21 LEU 106 3HD2 LEU 106 1.815 -5.408 -3.991 679 HD22 LEU 106 1HD2 LEU 106 0.253 -6.225 -4.046 680 HD23 LEU 106 2HD2 LEU 106 0.327 -4.481 -3.796 681 HA PRO 107 HA PRO 107 -1.133 -11.249 -7.108 682 HB3 PRO 107 2HB PRO 107 -2.017 -11.676 -5.030 683 HG3 PRO 107 2HG PRO 107 -2.640 -9.942 -3.612 684 HD3 PRO 107 2HD PRO 107 -0.515 -9.250 -4.177 685 H CYS 108 H CYS 108 -2.836 -8.161 -7.030 686 HA CYS 108 HA CYS 108 -3.810 -8.635 -9.723 687 HB3 CYS 108 2HB CYS 108 -5.961 -7.576 -8.055 688 HG CYS 108 HG CYS 108 -6.179 -8.454 -10.853 689 H CYS 109 H CYS 109 -5.211 -6.589 -10.365 690 HA CYS 109 HA CYS 109 -3.456 -4.369 -10.185 691 HB3 CYS 109 2HB CYS 109 -5.019 -3.218 -11.588 692 HG CYS 109 HG CYS 109 -4.416 -4.506 -13.713 693 H LEU 110 H LEU 110 -3.384 -2.736 -8.781 694 HA LEU 110 HA LEU 110 -4.742 -2.732 -6.369 695 HB3 LEU 110 2HB LEU 110 -3.496 -0.413 -7.839 696 HG LEU 110 HG LEU 110 -4.783 -0.422 -5.248 697 HD11 LEU 110 1HD1 LEU 110 -2.656 1.003 -4.424 698 HD12 LEU 110 2HD1 LEU 110 -1.841 -0.270 -5.332 699 HD13 LEU 110 3HD1 LEU 110 -2.922 -0.689 -4.004 700 HD21 LEU 110 3HD2 LEU 110 -3.894 2.077 -5.612 701 HD22 LEU 110 1HD2 LEU 110 -5.318 1.431 -6.430 702 HD23 LEU 110 2HD2 LEU 110 -3.766 1.481 -7.267 703 H ARG 111 H ARG 111 -6.616 -1.894 -5.625 704 HA ARG 111 HA ARG 111 -8.548 -1.004 -7.591 705 HB3 ARG 111 2HB ARG 111 -10.129 -1.063 -5.651 706 HG3 ARG 111 2HG ARG 111 -10.149 -3.454 -5.302 707 HD3 ARG 111 2HD ARG 111 -9.149 -3.302 -8.089 708 HE ARG 111 HE ARG 111 -11.081 -4.829 -6.734 709 HH11 ARG 111 1HH1 ARG 111 -10.583 -3.203 -9.771 710 HH12 ARG 111 2HH1 ARG 111 -11.619 -4.268 -10.661 711 HH21 ARG 111 1HH2 ARG 111 -12.447 -6.239 -7.895 712 HH22 ARG 111 2HH2 ARG 111 -12.679 -5.995 -9.593 713 H ILE 112 H ILE 112 -8.985 1.048 -8.030 714 HA ILE 112 HA ILE 112 -7.895 3.133 -6.297 715 HB ILE 112 HB ILE 112 -9.143 3.377 -9.037 716 HG13 ILE 112 2HG1 ILE 112 -6.869 3.616 -9.868 717 HG21 ILE 112 1HG2 ILE 112 -7.548 5.387 -7.455 718 HG22 ILE 112 2HG2 ILE 112 -8.245 5.622 -9.057 719 HG23 ILE 112 3HG2 ILE 112 -9.300 5.415 -7.659 720 HD11 ILE 112 3HD1 ILE 112 -6.031 3.205 -7.012 721 HD12 ILE 112 1HD1 ILE 112 -4.951 3.018 -8.394 722 HD13 ILE 112 2HD1 ILE 112 -5.683 4.586 -8.053 723 HA PRO 113 HA PRO 113 -11.862 3.960 -4.523 724 HB3 PRO 113 2HB PRO 113 -10.701 4.813 -2.733 725 HG3 PRO 113 2HG PRO 113 -8.654 5.875 -3.028 726 HD3 PRO 113 2HD PRO 113 -8.272 3.941 -4.222 727 H SER 114 H SER 114 -13.601 5.494 -4.682 728 HA SER 114 HA SER 114 -13.388 7.690 -6.543 729 HB3 SER 114 2HB SER 114 -15.468 5.674 -7.284 730 HG SER 114 HG SER 114 -13.930 7.071 -9.127 731 H LYS 115 H LYS 115 -13.936 8.180 -4.091 732 HA LYS 115 HA LYS 115 -15.428 8.975 -2.563 733 HB3 LYS 115 2HB LYS 115 -17.585 9.491 -4.466 734 HG3 LYS 115 2HG LYS 115 -15.759 11.417 -3.050 735 HD3 LYS 115 2HD LYS 115 -18.315 12.465 -3.251 736 HE3 LYS 115 2HE LYS 115 -17.181 13.784 -5.203 737 HZ1 LYS 115 3HZ LYS 115 -15.909 15.053 -3.604 738 HZ2 LYS 115 1HZ LYS 115 -16.000 13.794 -2.477 739 HZ3 LYS 115 2HZ LYS 115 -17.403 14.619 -2.938 Start of MODEL 17 1 H1 MET 1 H MET 1 -18.277 12.225 -1.556 2 HA MET 1 HA MET 1 -17.039 13.744 -0.082 3 HB3 MET 1 2HB MET 1 -15.140 12.271 1.153 4 HG3 MET 1 2HG MET 1 -17.807 13.203 2.055 5 HE1 MET 1 3HE MET 1 -17.820 13.784 4.644 6 HE2 MET 1 1HE MET 1 -19.036 12.507 4.607 7 HE3 MET 1 2HE MET 1 -17.782 12.495 5.848 8 H ASP 2 H ASP 2 -15.547 10.732 -1.277 9 HA ASP 2 HA ASP 2 -13.770 10.364 -2.656 10 HB3 ASP 2 2HB ASP 2 -13.859 11.432 -4.743 11 H THR 3 H THR 3 -12.732 11.209 -0.455 12 HA THR 3 HA THR 3 -10.849 13.358 -1.186 13 HB THR 3 HB THR 3 -12.285 14.058 0.665 14 HG1 THR 3 1HG THR 3 -10.619 14.755 1.931 15 HG21 THR 3 3HG2 THR 3 -11.137 12.105 2.559 16 HG22 THR 3 1HG2 THR 3 -12.342 11.476 1.438 17 HG23 THR 3 2HG2 THR 3 -12.747 12.820 2.505 18 H SER 4 H SER 4 -8.712 12.948 -1.041 19 HA SER 4 HA SER 4 -7.790 10.296 -0.922 20 HB3 SER 4 2HB SER 4 -6.502 11.872 -2.164 21 HG SER 4 HG SER 4 -5.606 13.353 -0.023 22 H LYS 5 H LYS 5 -8.145 12.760 1.517 23 HA LYS 5 HA LYS 5 -6.453 11.734 3.495 24 HB3 LYS 5 2HB LYS 5 -8.579 12.819 4.893 25 HG3 LYS 5 2HG LYS 5 -7.262 15.045 4.505 26 HD3 LYS 5 2HD LYS 5 -5.517 13.002 5.739 27 HE3 LYS 5 2HE LYS 5 -6.351 15.759 6.159 28 HZ1 LYS 5 3HZ LYS 5 -6.006 15.556 8.625 29 HZ2 LYS 5 1HZ LYS 5 -6.296 13.897 8.462 30 HZ3 LYS 5 2HZ LYS 5 -7.502 15.011 8.053 31 H PHE 6 H PHE 6 -9.442 10.570 2.283 32 HA PHE 6 HA PHE 6 -10.384 9.170 4.539 33 HB3 PHE 6 2HB PHE 6 -10.865 7.976 1.870 34 HD1 PHE 6 2HD PHE 6 -12.733 10.081 4.320 35 HD2 PHE 6 1HD PHE 6 -12.358 6.312 2.378 36 HE1 PHE 6 2HE PHE 6 -14.782 9.306 5.437 37 HE2 PHE 6 1HE PHE 6 -14.407 5.530 3.493 38 HZ PHE 6 HZ PHE 6 -15.622 7.027 5.026 39 H TRP 7 H TRP 7 -8.089 8.331 2.010 40 HA TRP 7 HA TRP 7 -7.538 5.806 3.426 41 HB3 TRP 7 2HB TRP 7 -8.311 5.238 1.258 42 HD1 TRP 7 HD TRP 7 -9.410 6.874 -0.432 43 HE1 TRP 7 1HE TRP 7 -8.513 8.431 -2.276 44 HE3 TRP 7 3HE TRP 7 -4.422 6.632 0.658 45 HZ2 TRP 7 2HZ TRP 7 -6.021 9.424 -3.151 46 HZ3 TRP 7 3HZ TRP 7 -2.848 7.915 -0.731 47 HH2 TRP 7 HH TRP 7 -3.633 9.282 -2.596 48 H TYR 8 H TYR 8 -6.388 8.852 2.925 49 HA TYR 8 HA TYR 8 -3.575 8.001 3.098 50 HB3 TYR 8 2HB TYR 8 -4.749 10.648 2.223 51 HD1 TYR 8 2HD TYR 8 -3.375 12.041 3.692 52 HD2 TYR 8 1HD TYR 8 -1.603 9.202 1.065 53 HE1 TYR 8 2HE TYR 8 -1.190 13.126 4.003 54 HE2 TYR 8 1HE TYR 8 0.587 10.279 1.369 55 HH TYR 8 HH TYR 8 0.926 13.269 3.197 56 H LYS 9 H LYS 9 -2.943 7.899 5.150 57 HA LYS 9 HA LYS 9 -3.419 10.219 6.870 58 HB3 LYS 9 2HB LYS 9 -3.870 8.675 8.795 59 HG3 LYS 9 2HG LYS 9 -5.766 8.861 6.499 60 HD3 LYS 9 2HD LYS 9 -6.496 7.613 9.137 61 HE3 LYS 9 2HE LYS 9 -8.331 6.749 7.429 62 HZ1 LYS 9 3HZ LYS 9 -8.214 8.790 9.315 63 HZ2 LYS 9 1HZ LYS 9 -9.586 7.974 8.755 64 HZ3 LYS 9 2HZ LYS 9 -9.080 9.400 7.996 65 HA PRO 10 HA PRO 10 0.987 9.408 7.192 66 HB3 PRO 10 2HB PRO 10 1.301 11.630 6.696 67 HG3 PRO 10 2HG PRO 10 -0.308 13.219 7.238 68 HD3 PRO 10 2HD PRO 10 -1.632 11.661 6.172 69 H HIS 11 H HIS 11 -1.114 10.545 9.806 70 HA HIS 11 HA HIS 11 0.679 9.813 11.902 71 HB3 HIS 11 2HB HIS 11 -2.169 9.919 12.602 72 HD1 HIS 11 1HD HIS 11 -0.073 9.251 14.542 73 HD2 HIS 11 2HD HIS 11 -0.949 13.198 13.591 74 HE1 HIS 11 1HE HIS 11 0.760 10.610 16.485 75 H LEU 12 H LEU 12 -1.584 8.105 9.971 76 HA LEU 12 HA LEU 12 -2.294 6.027 11.728 77 HB3 LEU 12 2HB LEU 12 -1.941 5.705 8.761 78 HG LEU 12 HG LEU 12 -2.728 3.683 9.872 79 HD11 LEU 12 1HD1 LEU 12 -5.096 3.843 10.866 80 HD12 LEU 12 2HD1 LEU 12 -4.744 5.560 11.047 81 HD13 LEU 12 3HD1 LEU 12 -3.731 4.364 11.854 82 HD21 LEU 12 3HD2 LEU 12 -4.269 3.216 8.284 83 HD22 LEU 12 1HD2 LEU 12 -3.753 4.779 7.651 84 HD23 LEU 12 2HD2 LEU 12 -5.221 4.662 8.623 85 H SER 13 H SER 13 -1.256 4.255 12.412 86 HA SER 13 HA SER 13 1.532 3.931 11.687 87 HB3 SER 13 2HB SER 13 1.650 3.329 13.842 88 HG SER 13 HG SER 13 -0.149 3.333 15.112 89 H ARG 14 H ARG 14 2.422 1.804 11.161 90 HA ARG 14 HA ARG 14 1.276 0.669 8.908 91 HB3 ARG 14 2HB ARG 14 3.608 0.364 9.310 92 HG3 ARG 14 2HG ARG 14 2.978 -1.369 11.684 93 HD3 ARG 14 2HD ARG 14 5.556 -0.200 10.640 94 HE ARG 14 HE ARG 14 5.024 -1.120 13.203 95 HH11 ARG 14 1HH1 ARG 14 7.244 -1.806 10.611 96 HH12 ARG 14 2HH1 ARG 14 8.514 -2.336 11.663 97 HH21 ARG 14 1HH2 ARG 14 6.690 -1.814 14.600 98 HH22 ARG 14 2HH2 ARG 14 8.197 -2.340 13.932 99 H ASP 15 H ASP 15 1.228 -0.531 12.254 100 HA ASP 15 HA ASP 15 -0.181 -2.891 11.813 101 HB3 ASP 15 2HB ASP 15 -0.771 -1.368 14.299 102 H GLN 16 H GLN 16 -1.372 0.388 12.408 103 HA GLN 16 HA GLN 16 -4.103 -0.252 12.585 104 HB3 GLN 16 2HB GLN 16 -4.486 2.142 12.075 105 HG3 GLN 16 2HG GLN 16 -2.737 3.065 13.798 106 HE21 GLN 16 1HE2 GLN 16 -4.510 4.001 14.634 107 HE22 GLN 16 2HE2 GLN 16 -5.717 3.173 15.551 108 H ALA 17 H ALA 17 -2.059 0.603 9.829 109 HA ALA 17 HA ALA 17 -4.109 0.741 7.901 110 HB1 ALA 17 1HB ALA 17 -1.235 -0.029 7.428 111 HB2 ALA 17 2HB ALA 17 -2.366 0.649 6.256 112 HB3 ALA 17 3HB ALA 17 -1.805 1.630 7.611 113 H ILE 18 H ILE 18 -2.091 -1.934 9.027 114 HA ILE 18 HA ILE 18 -2.956 -3.832 7.122 115 HB ILE 18 HB ILE 18 -1.911 -4.303 9.917 116 HG13 ILE 18 2HG1 ILE 18 -0.484 -3.002 8.201 117 HG21 ILE 18 1HG2 ILE 18 -3.003 -6.105 8.014 118 HG22 ILE 18 2HG2 ILE 18 -1.270 -6.403 8.123 119 HG23 ILE 18 3HG2 ILE 18 -2.267 -6.465 9.576 120 HD11 ILE 18 3HD1 ILE 18 0.967 -3.622 9.782 121 HD12 ILE 18 1HD1 ILE 18 0.314 -5.257 9.884 122 HD13 ILE 18 2HD1 ILE 18 1.457 -4.842 8.607 123 H ALA 19 H ALA 19 -4.115 -3.001 10.361 124 HA ALA 19 HA ALA 19 -6.053 -5.059 10.533 125 HB1 ALA 19 1HB ALA 19 -5.181 -3.843 12.489 126 HB2 ALA 19 2HB ALA 19 -6.028 -2.395 11.945 127 HB3 ALA 19 3HB ALA 19 -6.943 -3.827 12.418 128 H LEU 20 H LEU 20 -6.120 -1.778 9.269 129 HA LEU 20 HA LEU 20 -8.947 -1.680 8.901 130 HB3 LEU 20 2HB LEU 20 -6.757 -0.061 7.608 131 HG LEU 20 HG LEU 20 -9.370 0.014 6.817 132 HD11 LEU 20 1HD1 LEU 20 -9.493 1.112 9.318 133 HD12 LEU 20 2HD1 LEU 20 -10.635 1.418 8.010 134 HD13 LEU 20 3HD1 LEU 20 -9.299 2.533 8.292 135 HD21 LEU 20 3HD2 LEU 20 -8.791 2.177 5.825 136 HD22 LEU 20 1HD2 LEU 20 -7.473 1.014 5.664 137 HD23 LEU 20 2HD2 LEU 20 -7.384 2.285 6.885 138 H LEU 21 H LEU 21 -6.241 -2.770 6.984 139 HA LEU 21 HA LEU 21 -7.707 -2.951 4.527 140 HB3 LEU 21 2HB LEU 21 -5.671 -4.485 3.963 141 HG LEU 21 HG LEU 21 -5.158 -1.575 4.575 142 HD11 LEU 21 1HD1 LEU 21 -3.107 -2.887 4.300 143 HD12 LEU 21 2HD1 LEU 21 -3.353 -1.763 2.964 144 HD13 LEU 21 3HD1 LEU 21 -3.699 -3.479 2.748 145 HD21 LEU 21 3HD2 LEU 21 -6.664 -1.234 2.961 146 HD22 LEU 21 1HD2 LEU 21 -6.683 -2.936 2.496 147 HD23 LEU 21 2HD2 LEU 21 -5.437 -1.862 1.859 148 H LYS 22 H LYS 22 -6.766 -5.200 7.084 149 HA LYS 22 HA LYS 22 -7.825 -7.511 5.784 150 HB3 LYS 22 2HB LYS 22 -6.042 -7.463 7.598 151 HG3 LYS 22 2HG LYS 22 -8.455 -7.276 9.391 152 HD3 LYS 22 2HD LYS 22 -6.187 -7.140 10.940 153 HE3 LYS 22 2HE LYS 22 -6.790 -9.585 11.475 154 HZ1 LYS 22 3HZ LYS 22 -8.393 -8.842 12.864 155 HZ2 LYS 22 1HZ LYS 22 -9.213 -7.975 11.664 156 HZ3 LYS 22 2HZ LYS 22 -7.818 -7.330 12.369 157 H ASP 23 H ASP 23 -9.273 -4.892 7.296 158 HA ASP 23 HA ASP 23 -11.684 -6.449 7.951 159 HB3 ASP 23 2HB ASP 23 -11.067 -3.627 8.833 160 H LYS 24 H LYS 24 -10.452 -4.838 5.452 161 HA LYS 24 HA LYS 24 -13.050 -3.682 4.671 162 HB3 LYS 24 2HB LYS 24 -11.432 -2.402 2.996 163 HG3 LYS 24 2HG LYS 24 -10.987 -0.741 5.033 164 HD3 LYS 24 2HD LYS 24 -13.847 -1.054 4.284 165 HE3 LYS 24 2HE LYS 24 -12.127 1.010 5.167 166 HZ1 LYS 24 3HZ LYS 24 -12.215 1.092 2.432 167 HZ2 LYS 24 1HZ LYS 24 -11.803 2.371 3.460 168 HZ3 LYS 24 2HZ LYS 24 -13.394 2.206 2.911 169 H ASP 25 H ASP 25 -13.289 -3.589 2.217 170 HA ASP 25 HA ASP 25 -13.296 -6.185 1.185 171 HB3 ASP 25 2HB ASP 25 -13.536 -4.810 -1.074 172 HA PRO 26 HA PRO 26 -9.312 -6.872 -0.514 173 HB3 PRO 26 2HB PRO 26 -10.068 -8.936 -1.180 174 HG3 PRO 26 2HG PRO 26 -12.234 -9.222 -1.977 175 HD3 PRO 26 2HD PRO 26 -12.675 -8.065 -0.033 176 H GLY 27 H GLY 27 -7.823 -6.073 -1.982 177 HA2 GLY 27 2HA GLY 27 -7.100 -4.971 -3.929 178 HA3 GLY 27 3HA GLY 27 -8.771 -4.572 -4.297 179 H ALA 28 H ALA 28 -8.890 -3.699 -1.316 180 HA ALA 28 HA ALA 28 -8.504 -0.929 -1.834 181 HB1 ALA 28 1HB ALA 28 -8.971 -2.293 0.813 182 HB2 ALA 28 2HB ALA 28 -9.207 -0.583 0.452 183 HB3 ALA 28 3HB ALA 28 -10.236 -1.794 -0.310 184 H PHE 29 H PHE 29 -7.025 0.511 -0.888 185 HA PHE 29 HA PHE 29 -4.686 -0.672 0.424 186 HB3 PHE 29 2HB PHE 29 -4.260 -0.423 -2.043 187 HD1 PHE 29 1HD PHE 29 -6.374 0.997 -2.784 188 HD2 PHE 29 2HD PHE 29 -2.634 2.622 -1.565 189 HE1 PHE 29 1HE PHE 29 -6.885 3.074 -3.999 190 HE2 PHE 29 2HE PHE 29 -3.139 4.703 -2.778 191 HZ PHE 29 HZ PHE 29 -5.268 4.931 -3.996 192 H LEU 30 H LEU 30 -3.200 1.106 1.265 193 HA LEU 30 HA LEU 30 -4.524 3.616 1.871 194 HB3 LEU 30 2HB LEU 30 -3.789 1.604 3.988 195 HG LEU 30 HG LEU 30 -3.963 4.505 4.260 196 HD11 LEU 30 1HD1 LEU 30 -5.407 2.991 6.384 197 HD12 LEU 30 2HD1 LEU 30 -6.285 3.531 4.953 198 HD13 LEU 30 3HD1 LEU 30 -5.468 4.707 5.983 199 HD21 LEU 30 3HD2 LEU 30 -3.316 2.792 6.556 200 HD22 LEU 30 1HD2 LEU 30 -2.417 4.134 5.846 201 HD23 LEU 30 2HD2 LEU 30 -2.320 2.528 5.123 202 H ILE 31 H ILE 31 -3.113 5.241 2.553 203 HA ILE 31 HA ILE 31 -0.257 4.555 2.319 204 HB ILE 31 HB ILE 31 -1.630 7.167 1.672 205 HG13 ILE 31 2HG1 ILE 31 -0.946 6.670 -0.643 206 HG21 ILE 31 1HG2 ILE 31 0.375 8.040 2.163 207 HG22 ILE 31 2HG2 ILE 31 1.173 6.468 2.141 208 HG23 ILE 31 3HG2 ILE 31 0.883 7.330 0.631 209 HD11 ILE 31 3HD1 ILE 31 -0.511 3.825 -0.218 210 HD12 ILE 31 1HD1 ILE 31 0.315 4.956 -1.291 211 HD13 ILE 31 2HD1 ILE 31 0.792 4.838 0.403 212 H ARG 32 H ARG 32 1.154 5.224 3.862 213 HA ARG 32 HA ARG 32 0.180 6.990 5.988 214 HB3 ARG 32 2HB ARG 32 -0.117 4.566 6.637 215 HG3 ARG 32 2HG ARG 32 2.660 4.267 7.428 216 HD3 ARG 32 2HD ARG 32 0.837 2.445 5.868 217 HE ARG 32 HE ARG 32 3.417 2.025 7.068 218 HH11 ARG 32 1HH1 ARG 32 0.419 0.537 6.111 219 HH12 ARG 32 2HH1 ARG 32 1.100 -1.050 5.972 220 HH21 ARG 32 1HH2 ARG 32 4.325 -0.060 6.889 221 HH22 ARG 32 2HH2 ARG 32 3.322 -1.388 6.416 222 H ASP 33 H ASP 33 1.970 7.737 7.417 223 HA ASP 33 HA ASP 33 4.127 8.705 5.844 224 HB3 ASP 33 2HB ASP 33 3.864 8.755 8.856 225 H SER 34 H SER 34 5.927 7.677 5.318 226 HA SER 34 HA SER 34 6.708 5.287 6.791 227 HB3 SER 34 2HB SER 34 8.226 6.285 4.414 228 HG SER 34 HG SER 34 7.346 3.725 5.275 229 H HIS 35 H HIS 35 7.511 6.237 8.696 230 HA HIS 35 HA HIS 35 9.581 8.209 8.644 231 HB3 HIS 35 2HB HIS 35 7.958 7.851 10.540 232 HD1 HIS 35 1HD HIS 35 9.535 6.588 13.124 233 HD2 HIS 35 2HD HIS 35 8.016 4.609 9.802 234 HE1 HIS 35 1HE HIS 35 9.167 4.215 13.867 235 H SER 36 H SER 36 9.538 4.894 8.076 236 HA SER 36 HA SER 36 11.878 3.950 9.227 237 HB3 SER 36 2HB SER 36 11.848 2.652 6.811 238 HG SER 36 HG SER 36 10.819 1.071 7.939 239 H PHE 37 H PHE 37 11.443 5.534 6.075 240 HA PHE 37 HA PHE 37 14.286 6.267 6.143 241 HB3 PHE 37 2HB PHE 37 13.589 5.940 3.426 242 HD1 PHE 37 1HD PHE 37 16.043 6.684 4.139 243 HD2 PHE 37 2HD PHE 37 14.475 2.740 4.462 244 HE1 PHE 37 1HE PHE 37 18.330 5.777 4.126 245 HE2 PHE 37 2HE PHE 37 16.760 1.828 4.451 246 HZ PHE 37 HZ PHE 37 18.691 3.346 4.285 247 H GLN 38 H GLN 38 14.824 8.179 4.971 248 HA GLN 38 HA GLN 38 12.873 10.220 5.178 249 HB3 GLN 38 2HB GLN 38 15.187 10.774 5.493 250 HG3 GLN 38 2HG GLN 38 16.145 10.726 2.792 251 HE21 GLN 38 1HE2 GLN 38 17.906 11.700 3.682 252 HE22 GLN 38 2HE2 GLN 38 18.988 10.911 4.772 253 H GLY 39 H GLY 39 11.646 11.246 3.660 254 HA2 GLY 39 2HA GLY 39 10.461 11.509 1.713 255 HA3 GLY 39 3HA GLY 39 11.964 11.123 0.888 256 H ALA 40 H ALA 40 9.928 9.125 3.004 257 HA ALA 40 HA ALA 40 9.451 7.332 0.717 258 HB1 ALA 40 1HB ALA 40 10.112 6.459 3.527 259 HB2 ALA 40 2HB ALA 40 9.752 5.401 2.162 260 HB3 ALA 40 3HB ALA 40 11.208 6.394 2.147 261 H TYR 41 H TYR 41 7.531 6.046 0.848 262 HA TYR 41 HA TYR 41 5.555 6.977 2.815 263 HB3 TYR 41 2HB TYR 41 3.969 6.582 0.665 264 HD1 TYR 41 1HD TYR 41 2.852 8.069 2.324 265 HD2 TYR 41 2HD TYR 41 6.110 9.406 -0.063 266 HE1 TYR 41 1HE TYR 41 2.257 10.402 2.829 267 HE2 TYR 41 2HE TYR 41 5.524 11.742 0.435 268 HH TYR 41 HH TYR 41 4.218 12.918 2.472 269 H GLY 42 H GLY 42 4.362 5.408 3.725 270 HA2 GLY 42 2HA GLY 42 4.952 2.663 3.009 271 HA3 GLY 42 3HA GLY 42 4.003 3.203 4.386 272 H LEU 43 H LEU 43 3.850 1.618 1.499 273 HA LEU 43 HA LEU 43 1.028 2.332 1.067 274 HB3 LEU 43 2HB LEU 43 3.076 1.102 -0.764 275 HG LEU 43 HG LEU 43 0.476 0.401 -1.002 276 HD11 LEU 43 1HD1 LEU 43 -0.076 1.948 -3.119 277 HD12 LEU 43 2HD1 LEU 43 0.763 3.123 -2.107 278 HD13 LEU 43 3HD1 LEU 43 -0.663 2.288 -1.490 279 HD21 LEU 43 3HD2 LEU 43 2.721 0.746 -2.915 280 HD22 LEU 43 1HD2 LEU 43 1.130 0.354 -3.567 281 HD23 LEU 43 2HD2 LEU 43 1.891 -0.721 -2.393 282 H ALA 44 H ALA 44 -0.453 0.927 1.714 283 HA ALA 44 HA ALA 44 0.330 -1.900 2.021 284 HB1 ALA 44 1HB ALA 44 -1.028 -2.097 3.926 285 HB2 ALA 44 2HB ALA 44 -0.168 -0.570 4.133 286 HB3 ALA 44 3HB ALA 44 -1.850 -0.570 3.602 287 H LEU 45 H LEU 45 -0.955 -3.450 1.148 288 HA LEU 45 HA LEU 45 -3.509 -2.634 -0.045 289 HB3 LEU 45 2HB LEU 45 -1.202 -3.985 -1.401 290 HG LEU 45 HG LEU 45 -3.120 -5.391 -1.970 291 HD11 LEU 45 1HD1 LEU 45 -4.657 -3.612 -3.545 292 HD12 LEU 45 2HD1 LEU 45 -4.507 -2.911 -1.934 293 HD13 LEU 45 3HD1 LEU 45 -5.157 -4.539 -2.131 294 HD21 LEU 45 3HD2 LEU 45 -1.357 -4.811 -3.647 295 HD22 LEU 45 1HD2 LEU 45 -2.437 -3.561 -4.264 296 HD23 LEU 45 2HD2 LEU 45 -2.914 -5.257 -4.345 297 H LYS 46 H LYS 46 -5.095 -4.190 -0.072 298 HA LYS 46 HA LYS 46 -4.507 -6.604 1.492 299 HB3 LYS 46 2HB LYS 46 -7.266 -5.621 0.816 300 HG3 LYS 46 2HG LYS 46 -6.812 -6.567 3.503 301 HD3 LYS 46 2HD LYS 46 -8.554 -7.506 1.223 302 HE3 LYS 46 2HE LYS 46 -7.974 -8.796 3.652 303 HZ1 LYS 46 3HZ LYS 46 -10.790 -8.412 3.884 304 HZ2 LYS 46 1HZ LYS 46 -9.947 -6.971 4.162 305 HZ3 LYS 46 2HZ LYS 46 -9.595 -8.347 5.080 306 H VAL 47 H VAL 47 -4.756 -8.606 0.671 307 HA VAL 47 HA VAL 47 -5.811 -8.824 -2.075 308 HB VAL 47 HB VAL 47 -4.263 -10.658 -2.477 309 HG11 VAL 47 1HG1 VAL 47 -3.336 -8.668 -3.209 310 HG12 VAL 47 2HG1 VAL 47 -3.156 -8.031 -1.574 311 HG13 VAL 47 3HG1 VAL 47 -2.075 -9.300 -2.150 312 HG21 VAL 47 3HG2 VAL 47 -2.484 -10.310 -0.251 313 HG22 VAL 47 1HG2 VAL 47 -4.094 -10.745 0.322 314 HG23 VAL 47 2HG2 VAL 47 -3.262 -11.779 -0.839 315 H ALA 48 H ALA 48 -6.685 -10.968 -2.631 316 HA ALA 48 HA ALA 48 -7.953 -12.244 -0.295 317 HB1 ALA 48 1HB ALA 48 -9.944 -12.486 -1.448 318 HB2 ALA 48 2HB ALA 48 -9.381 -10.907 -1.996 319 HB3 ALA 48 3HB ALA 48 -9.169 -12.324 -3.025 320 H THR 49 H THR 49 -5.908 -12.676 -2.964 321 HA THR 49 HA THR 49 -6.278 -15.595 -2.906 322 HB THR 49 HB THR 49 -5.107 -15.678 -5.044 323 HG1 THR 49 1HG THR 49 -4.572 -13.658 -6.069 324 HG21 THR 49 3HG2 THR 49 -7.086 -13.483 -5.446 325 HG22 THR 49 1HG2 THR 49 -7.637 -15.009 -4.757 326 HG23 THR 49 2HG2 THR 49 -6.873 -14.983 -6.346 327 HA PRO 50 HA PRO 50 -2.406 -15.100 -0.527 328 HB3 PRO 50 2HB PRO 50 -3.498 -15.879 1.338 329 HG3 PRO 50 2HG PRO 50 -5.378 -17.234 1.149 330 HD3 PRO 50 2HD PRO 50 -5.974 -15.528 -0.282 331 HA PRO 51 HA PRO 51 0.232 -17.803 -2.779 332 HB3 PRO 51 2HB PRO 51 2.001 -16.900 -1.623 333 HG3 PRO 51 2HG PRO 51 1.817 -16.379 0.636 334 HD3 PRO 51 2HD PRO 51 -0.079 -15.343 -0.166 335 HA PRO 52 HA PRO 52 -0.750 -22.057 -2.261 336 HB3 PRO 52 2HB PRO 52 0.444 -22.478 -4.178 337 HG3 PRO 52 2HG PRO 52 2.428 -21.350 -4.628 338 HD3 PRO 52 2HD PRO 52 1.059 -19.563 -4.126 339 H SER 53 H SER 53 2.360 -21.099 -0.861 340 HA SER 53 HA SER 53 1.782 -22.820 1.443 341 HB3 SER 53 2HB SER 53 4.573 -22.895 1.156 342 HG SER 53 HG SER 53 4.114 -25.133 0.698 343 H ALA 54 H ALA 54 4.534 -20.784 0.468 344 HA ALA 54 HA ALA 54 5.370 -18.843 1.342 345 HB1 ALA 54 1HB ALA 54 3.362 -18.335 3.381 346 HB2 ALA 54 2HB ALA 54 3.882 -17.330 2.027 347 HB3 ALA 54 3HB ALA 54 2.662 -18.581 1.780 348 H GLN 55 H GLN 55 3.666 -20.506 4.006 349 HA GLN 55 HA GLN 55 5.940 -21.567 5.222 350 HB3 GLN 55 2HB GLN 55 5.369 -19.589 7.177 351 HG3 GLN 55 2HG GLN 55 7.800 -19.818 5.420 352 HE21 GLN 55 1HE2 GLN 55 6.843 -19.268 8.796 353 HE22 GLN 55 2HE2 GLN 55 7.879 -17.908 9.045 354 HA PRO 56 HA PRO 56 2.329 -21.628 8.421 355 HB3 PRO 56 2HB PRO 56 1.525 -19.506 8.778 356 HG3 PRO 56 2HG PRO 56 1.442 -17.948 7.053 357 HD3 PRO 56 2HD PRO 56 3.622 -18.663 6.838 358 H TRP 57 H TRP 57 0.925 -23.300 8.410 359 HA TRP 57 HA TRP 57 -0.323 -24.001 5.833 360 HB3 TRP 57 2HB TRP 57 -0.260 -26.303 7.438 361 HD1 TRP 57 HD TRP 57 2.612 -24.935 5.211 362 HE1 TRP 57 1HE TRP 57 2.743 -26.406 3.104 363 HE3 TRP 57 3HE TRP 57 -1.374 -28.006 6.115 364 HZ2 TRP 57 2HZ TRP 57 1.342 -28.579 1.973 365 HZ3 TRP 57 3HZ TRP 57 -1.912 -29.756 4.470 366 HH2 TRP 57 HH TRP 57 -0.581 -30.034 2.442 367 H LYS 58 H LYS 58 -2.207 -25.663 6.287 368 HA LYS 58 HA LYS 58 -4.381 -25.848 6.939 369 HB3 LYS 58 2HB LYS 58 -3.545 -25.042 9.707 370 HG3 LYS 58 2HG LYS 58 -5.472 -27.020 8.551 371 HD3 LYS 58 2HD LYS 58 -4.493 -26.934 11.405 372 HE3 LYS 58 2HE LYS 58 -5.896 -29.077 11.472 373 HZ1 LYS 58 3HZ LYS 58 -6.530 -26.500 12.066 374 HZ2 LYS 58 1HZ LYS 58 -7.412 -27.867 12.531 375 HZ3 LYS 58 2HZ LYS 58 -7.849 -27.012 11.139 376 H GLY 59 H GLY 59 -4.266 -23.609 5.670 377 HA2 GLY 59 2HA GLY 59 -5.379 -21.616 5.394 378 HA3 GLY 59 3HA GLY 59 -6.201 -21.941 6.913 379 H ASP 60 H ASP 60 -5.898 -19.494 6.915 380 HA ASP 60 HA ASP 60 -3.999 -18.823 8.874 381 HB3 ASP 60 2HB ASP 60 -2.216 -18.745 7.421 382 HA PRO 61 HA PRO 61 -6.679 -15.389 9.361 383 HB3 PRO 61 2HB PRO 61 -5.527 -14.884 11.284 384 HG3 PRO 61 2HG PRO 61 -3.219 -15.141 11.403 385 HD3 PRO 61 2HD PRO 61 -3.804 -17.201 10.553 386 H VAL 62 H VAL 62 -6.975 -13.033 8.812 387 HA VAL 62 HA VAL 62 -6.365 -12.632 6.041 388 HB VAL 62 HB VAL 62 -7.631 -10.651 7.934 389 HG11 VAL 62 1HG1 VAL 62 -7.512 -10.925 4.949 390 HG12 VAL 62 2HG1 VAL 62 -8.781 -9.992 5.744 391 HG13 VAL 62 3HG1 VAL 62 -7.090 -9.537 5.950 392 HG21 VAL 62 3HG2 VAL 62 -8.786 -13.017 6.504 393 HG22 VAL 62 1HG2 VAL 62 -9.007 -12.510 8.179 394 HG23 VAL 62 2HG2 VAL 62 -9.781 -11.609 6.875 395 H GLU 63 H GLU 63 -5.003 -11.602 9.047 396 HA GLU 63 HA GLU 63 -3.736 -9.233 8.286 397 HB3 GLU 63 2HB GLU 63 -3.917 -10.200 10.616 398 HG3 GLU 63 2HG GLU 63 -2.770 -12.412 9.791 399 H GLN 64 H GLN 64 -3.025 -12.524 7.503 400 HA GLN 64 HA GLN 64 -0.313 -11.990 6.663 401 HB3 GLN 64 2HB GLN 64 -1.171 -14.443 5.578 402 HG3 GLN 64 2HG GLN 64 -0.050 -14.890 8.145 403 HE21 GLN 64 1HE2 GLN 64 2.685 -14.530 6.993 404 HE22 GLN 64 2HE2 GLN 64 2.860 -15.824 5.863 405 H LEU 65 H LEU 65 -3.401 -11.633 5.333 406 HA LEU 65 HA LEU 65 -2.511 -11.936 2.575 407 HB3 LEU 65 2HB LEU 65 -4.982 -11.045 2.263 408 HG LEU 65 HG LEU 65 -4.268 -13.835 3.123 409 HD11 LEU 65 1HD1 LEU 65 -6.395 -14.479 3.236 410 HD12 LEU 65 2HD1 LEU 65 -6.841 -13.543 1.810 411 HD13 LEU 65 3HD1 LEU 65 -6.796 -12.769 3.394 412 HD21 LEU 65 3HD2 LEU 65 -4.644 -14.338 0.779 413 HD22 LEU 65 1HD2 LEU 65 -3.454 -13.046 0.943 414 HD23 LEU 65 2HD2 LEU 65 -5.111 -12.665 0.473 415 H VAL 66 H VAL 66 -1.780 -9.719 4.629 416 HA VAL 66 HA VAL 66 -2.477 -7.418 2.928 417 HB VAL 66 HB VAL 66 -1.483 -7.348 5.779 418 HG11 VAL 66 1HG1 VAL 66 -1.058 -5.224 5.205 419 HG12 VAL 66 2HG1 VAL 66 -2.036 -5.323 3.740 420 HG13 VAL 66 3HG1 VAL 66 -2.806 -5.011 5.296 421 HG21 VAL 66 3HG2 VAL 66 -4.185 -7.681 4.650 422 HG22 VAL 66 1HG2 VAL 66 -3.547 -8.142 6.227 423 HG23 VAL 66 2HG2 VAL 66 -4.031 -6.473 5.925 424 H ARG 67 H ARG 67 -0.923 -6.611 1.694 425 HA ARG 67 HA ARG 67 1.876 -7.188 2.400 426 HB3 ARG 67 2HB ARG 67 1.649 -6.250 -0.281 427 HG3 ARG 67 2HG ARG 67 2.766 -8.493 1.126 428 HD3 ARG 67 2HD ARG 67 1.173 -9.041 -1.338 429 HE ARG 67 HE ARG 67 3.855 -9.980 -0.974 430 HH11 ARG 67 1HH1 ARG 67 0.697 -10.808 -2.185 431 HH12 ARG 67 2HH1 ARG 67 1.293 -11.979 -3.313 432 HH21 ARG 67 1HH2 ARG 67 4.652 -11.520 -2.456 433 HH22 ARG 67 2HH2 ARG 67 3.543 -12.384 -3.467 434 H HIS 68 H HIS 68 2.945 -5.524 3.221 435 HA HIS 68 HA HIS 68 2.274 -2.814 2.275 436 HB3 HIS 68 2HB HIS 68 1.585 -3.089 4.595 437 HD1 HIS 68 1HD HIS 68 1.975 -5.370 5.741 438 HD2 HIS 68 2HD HIS 68 5.320 -2.905 5.689 439 HE1 HIS 68 1HE HIS 68 3.605 -6.414 7.348 440 H PHE 69 H PHE 69 3.863 -1.761 1.289 441 HA PHE 69 HA PHE 69 6.643 -2.500 1.895 442 HB3 PHE 69 2HB PHE 69 7.140 -2.131 -0.555 443 HD1 PHE 69 2HD PHE 69 7.810 -4.258 1.055 444 HD2 PHE 69 1HD PHE 69 4.568 -4.054 -1.695 445 HE1 PHE 69 2HE PHE 69 7.814 -6.711 0.875 446 HE2 PHE 69 1HE PHE 69 4.565 -6.508 -1.879 447 HZ PHE 69 HZ PHE 69 6.191 -7.840 -0.595 448 H LEU 70 H LEU 70 8.200 -0.843 1.565 449 HA LEU 70 HA LEU 70 7.054 1.840 1.825 450 HB3 LEU 70 2HB LEU 70 8.481 1.376 3.619 451 HG LEU 70 HG LEU 70 10.132 -0.108 1.722 452 HD11 LEU 70 1HD1 LEU 70 11.677 1.691 1.936 453 HD12 LEU 70 2HD1 LEU 70 12.239 0.382 2.975 454 HD13 LEU 70 3HD1 LEU 70 11.425 1.779 3.679 455 HD21 LEU 70 3HD2 LEU 70 8.865 -0.717 3.974 456 HD22 LEU 70 1HD2 LEU 70 10.424 -0.272 4.669 457 HD23 LEU 70 2HD2 LEU 70 10.331 -1.557 3.464 458 H ILE 71 H ILE 71 7.137 3.234 0.199 459 HA ILE 71 HA ILE 71 8.855 2.627 -2.095 460 HB ILE 71 HB ILE 71 6.736 4.758 -2.021 461 HG13 ILE 71 2HG1 ILE 71 6.413 1.846 -1.980 462 HG21 ILE 71 1HG2 ILE 71 8.495 4.556 -3.867 463 HG22 ILE 71 2HG2 ILE 71 7.627 3.102 -4.357 464 HG23 ILE 71 3HG2 ILE 71 6.805 4.662 -4.357 465 HD11 ILE 71 3HD1 ILE 71 3.932 3.170 -1.994 466 HD12 ILE 71 1HD1 ILE 71 4.777 2.446 -0.626 467 HD13 ILE 71 2HD1 ILE 71 5.037 4.145 -1.024 468 H GLU 72 H GLU 72 10.480 3.925 -2.747 469 HA GLU 72 HA GLU 72 10.961 6.366 -1.168 470 HB3 GLU 72 2HB GLU 72 13.376 5.666 -2.363 471 HG3 GLU 72 2HG GLU 72 13.119 4.500 0.268 472 H THR 73 H THR 73 11.370 8.257 -2.199 473 HA THR 73 HA THR 73 11.296 8.203 -5.146 474 HB THR 73 HB THR 73 9.271 9.212 -4.309 475 HG1 THR 73 1HG THR 73 9.404 10.964 -5.575 476 HG21 THR 73 3HG2 THR 73 10.976 11.228 -2.850 477 HG22 THR 73 1HG2 THR 73 10.232 9.833 -2.071 478 HG23 THR 73 2HG2 THR 73 9.220 11.074 -2.809 479 H GLY 74 H GLY 74 13.069 8.912 -6.129 480 HA2 GLY 74 2HA GLY 74 14.743 10.903 -4.735 481 HA3 GLY 74 3HA GLY 74 15.461 9.487 -5.489 482 HA PRO 75 HA PRO 75 15.516 13.000 -8.533 483 HB3 PRO 75 2HB PRO 75 17.596 13.690 -7.842 484 HG3 PRO 75 2HG PRO 75 19.040 12.235 -6.744 485 HD3 PRO 75 2HD PRO 75 17.126 11.909 -5.500 486 H LYS 76 H LYS 76 15.940 9.650 -8.520 487 HA LYS 76 HA LYS 76 16.112 9.541 -11.456 488 HB3 LYS 76 2HB LYS 76 16.518 7.010 -10.879 489 HG3 LYS 76 2HG LYS 76 18.989 7.709 -10.182 490 HD3 LYS 76 2HD LYS 76 17.619 7.188 -12.581 491 HE3 LYS 76 2HE LYS 76 19.753 9.204 -13.145 492 HZ1 LYS 76 3HZ LYS 76 17.909 7.641 -14.642 493 HZ2 LYS 76 1HZ LYS 76 19.235 8.542 -15.182 494 HZ3 LYS 76 2HZ LYS 76 17.726 9.284 -14.997 495 H GLY 77 H GLY 77 13.844 9.634 -9.145 496 HA2 GLY 77 2HA GLY 77 11.540 9.338 -9.978 497 HA3 GLY 77 3HA GLY 77 12.068 7.789 -10.620 498 H VAL 78 H VAL 78 9.921 7.563 -9.180 499 HA VAL 78 HA VAL 78 10.780 6.809 -6.465 500 HB VAL 78 HB VAL 78 9.014 8.453 -6.399 501 HG11 VAL 78 1HG1 VAL 78 7.378 6.541 -8.064 502 HG12 VAL 78 2HG1 VAL 78 6.844 8.095 -7.421 503 HG13 VAL 78 3HG1 VAL 78 8.107 8.036 -8.650 504 HG21 VAL 78 3HG2 VAL 78 9.014 6.539 -4.778 505 HG22 VAL 78 1HG2 VAL 78 7.447 7.315 -5.006 506 HG23 VAL 78 2HG2 VAL 78 7.786 5.770 -5.783 507 H LYS 79 H LYS 79 10.776 4.726 -5.913 508 HA LYS 79 HA LYS 79 9.128 2.838 -7.434 509 HB3 LYS 79 2HB LYS 79 11.472 2.884 -8.352 510 HG3 LYS 79 2HG LYS 79 12.215 2.730 -5.649 511 HD3 LYS 79 2HD LYS 79 13.624 0.480 -6.879 512 HE3 LYS 79 2HE LYS 79 13.453 -0.439 -4.653 513 HZ1 LYS 79 3HZ LYS 79 14.676 1.932 -5.208 514 HZ2 LYS 79 1HZ LYS 79 14.945 0.973 -3.841 515 HZ3 LYS 79 2HZ LYS 79 13.843 2.254 -3.772 516 H ILE 80 H ILE 80 8.797 0.791 -6.339 517 HA ILE 80 HA ILE 80 8.604 1.163 -3.468 518 HB ILE 80 HB ILE 80 7.690 -1.216 -5.080 519 HG13 ILE 80 2HG1 ILE 80 6.507 1.484 -4.699 520 HG21 ILE 80 1HG2 ILE 80 6.085 -0.626 -2.802 521 HG22 ILE 80 2HG2 ILE 80 7.048 -2.064 -3.136 522 HG23 ILE 80 3HG2 ILE 80 7.775 -0.688 -2.307 523 HD11 ILE 80 3HD1 ILE 80 6.561 -0.580 -6.841 524 HD12 ILE 80 1HD1 ILE 80 5.265 0.615 -6.816 525 HD13 ILE 80 2HD1 ILE 80 6.946 1.139 -6.920 526 H LYS 81 H LYS 81 10.120 0.492 -2.115 527 HA LYS 81 HA LYS 81 12.269 -1.199 -2.967 528 HB3 LYS 81 2HB LYS 81 11.771 -0.565 -0.087 529 HG3 LYS 81 2HG LYS 81 14.260 0.106 -0.369 530 HD3 LYS 81 2HD LYS 81 14.570 -2.645 -0.593 531 HE3 LYS 81 2HE LYS 81 13.916 -0.925 1.796 532 HZ1 LYS 81 3HZ LYS 81 13.727 -3.519 1.941 533 HZ2 LYS 81 1HZ LYS 81 14.469 -2.631 3.176 534 HZ3 LYS 81 2HZ LYS 81 15.415 -3.429 2.024 535 H GLY 82 H GLY 82 11.488 -3.225 -3.468 536 HA2 GLY 82 2HA GLY 82 11.102 -5.005 -1.258 537 HA3 GLY 82 3HA GLY 82 9.615 -4.744 -2.157 538 H CYS 83 H CYS 83 10.844 -4.482 -4.735 539 HA CYS 83 HA CYS 83 11.856 -7.220 -5.132 540 HB3 CYS 83 2HB CYS 83 10.660 -6.785 -7.489 541 HG CYS 83 HG CYS 83 8.161 -7.982 -6.524 542 HA PRO 84 HA PRO 84 15.201 -5.579 -7.445 543 HB3 PRO 84 2HB PRO 84 15.907 -7.739 -7.780 544 HG3 PRO 84 2HG PRO 84 14.385 -9.452 -8.174 545 HD3 PRO 84 2HD PRO 84 13.439 -8.503 -6.298 546 H SER 85 H SER 85 12.106 -5.809 -8.830 547 HA SER 85 HA SER 85 12.452 -5.084 -11.470 548 HB3 SER 85 2HB SER 85 10.233 -3.602 -10.556 549 HG SER 85 HG SER 85 10.476 -6.233 -11.585 550 H GLU 86 H GLU 86 11.514 -2.707 -8.990 551 HA GLU 86 HA GLU 86 11.915 -0.471 -8.822 552 HB3 GLU 86 2HB GLU 86 14.192 0.177 -8.774 553 HG3 GLU 86 2HG GLU 86 14.301 -2.791 -8.301 554 HA PRO 87 HA PRO 87 11.294 0.123 -13.410 555 HB3 PRO 87 2HB PRO 87 9.100 -0.556 -13.316 556 HG3 PRO 87 2HG PRO 87 7.909 -0.491 -11.321 557 HD3 PRO 87 2HD PRO 87 9.806 -1.592 -10.614 558 H TYR 88 H TYR 88 10.766 2.128 -10.577 559 HA TYR 88 HA TYR 88 11.166 4.326 -10.155 560 HB3 TYR 88 2HB TYR 88 12.891 5.453 -11.408 561 HD1 TYR 88 1HD TYR 88 13.252 4.044 -9.053 562 HD2 TYR 88 2HD TYR 88 14.466 2.850 -12.953 563 HE1 TYR 88 1HE TYR 88 14.989 2.609 -8.067 564 HE2 TYR 88 2HE TYR 88 16.205 1.410 -11.977 565 HH TYR 88 HH TYR 88 16.572 0.222 -9.741 566 H PHE 89 H PHE 89 8.939 4.799 -10.461 567 HA PHE 89 HA PHE 89 8.100 5.793 -13.062 568 HB3 PHE 89 2HB PHE 89 5.886 6.084 -11.936 569 HD1 PHE 89 2HD PHE 89 6.165 4.517 -14.023 570 HD2 PHE 89 1HD PHE 89 6.453 3.236 -9.974 571 HE1 PHE 89 2HE PHE 89 5.661 2.212 -14.720 572 HE2 PHE 89 1HE PHE 89 5.951 0.928 -10.666 573 HZ PHE 89 HZ PHE 89 5.553 0.414 -13.041 574 H GLY 90 H GLY 90 6.447 7.825 -12.606 575 HA2 GLY 90 2HA GLY 90 8.208 10.019 -12.185 576 HA3 GLY 90 3HA GLY 90 6.475 10.121 -12.458 577 H SER 91 H SER 91 5.115 9.443 -10.523 578 HA SER 91 HA SER 91 6.402 10.129 -7.981 579 HB3 SER 91 2HB SER 91 3.816 11.326 -7.982 580 HG SER 91 HG SER 91 6.245 12.736 -8.207 581 H LEU 92 H LEU 92 4.526 9.970 -6.199 582 HA LEU 92 HA LEU 92 3.919 7.296 -5.894 583 HB3 LEU 92 2HB LEU 92 2.036 8.290 -4.343 584 HG LEU 92 HG LEU 92 4.739 7.762 -3.862 585 HD11 LEU 92 1HD1 LEU 92 5.527 9.902 -3.665 586 HD12 LEU 92 2HD1 LEU 92 4.988 9.606 -2.012 587 HD13 LEU 92 3HD1 LEU 92 3.978 10.543 -3.114 588 HD21 LEU 92 3HD2 LEU 92 2.883 8.515 -1.656 589 HD22 LEU 92 1HD2 LEU 92 3.985 7.144 -1.787 590 HD23 LEU 92 2HD2 LEU 92 2.470 7.148 -2.691 591 H SER 93 H SER 93 2.028 9.836 -7.418 592 HA SER 93 HA SER 93 -0.363 8.325 -7.691 593 HB3 SER 93 2HB SER 93 0.216 10.944 -7.990 594 HG SER 93 HG SER 93 -0.404 10.378 -10.626 595 H ALA 94 H ALA 94 2.507 8.743 -9.665 596 HA ALA 94 HA ALA 94 1.502 7.545 -12.024 597 HB1 ALA 94 1HB ALA 94 3.744 7.520 -12.800 598 HB2 ALA 94 2HB ALA 94 3.556 8.987 -11.837 599 HB3 ALA 94 3HB ALA 94 4.384 7.586 -11.157 600 H LEU 95 H LEU 95 3.365 6.256 -9.289 601 HA LEU 95 HA LEU 95 3.488 3.605 -10.334 602 HB3 LEU 95 2HB LEU 95 5.171 4.291 -8.800 603 HG LEU 95 HG LEU 95 3.557 5.857 -7.446 604 HD11 LEU 95 1HD1 LEU 95 3.420 4.410 -5.146 605 HD12 LEU 95 2HD1 LEU 95 3.019 3.193 -6.357 606 HD13 LEU 95 3HD1 LEU 95 2.073 4.678 -6.253 607 HD21 LEU 95 3HD2 LEU 95 6.058 4.473 -6.734 608 HD22 LEU 95 1HD2 LEU 95 5.209 5.257 -5.402 609 HD23 LEU 95 2HD2 LEU 95 5.693 6.197 -6.813 610 H VAL 96 H VAL 96 1.249 5.360 -8.314 611 HA VAL 96 HA VAL 96 -0.152 3.102 -7.298 612 HB VAL 96 HB VAL 96 -0.715 6.033 -7.437 613 HG11 VAL 96 1HG1 VAL 96 -2.888 5.477 -6.199 614 HG12 VAL 96 2HG1 VAL 96 -2.871 5.286 -7.953 615 HG13 VAL 96 3HG1 VAL 96 -2.728 3.871 -6.910 616 HG21 VAL 96 3HG2 VAL 96 -1.218 4.851 -4.910 617 HG22 VAL 96 1HG2 VAL 96 0.293 4.184 -5.529 618 HG23 VAL 96 2HG2 VAL 96 0.098 5.930 -5.373 619 H SER 97 H SER 97 -0.642 5.247 -10.072 620 HA SER 97 HA SER 97 -3.094 4.039 -10.886 621 HB3 SER 97 2HB SER 97 -1.855 6.369 -11.517 622 HG SER 97 HG SER 97 -0.373 5.616 -12.937 623 H GLN 98 H GLN 98 0.293 3.616 -11.775 624 HA GLN 98 HA GLN 98 -0.182 1.836 -13.934 625 HB3 GLN 98 2HB GLN 98 2.278 1.203 -13.468 626 HG3 GLN 98 2HG GLN 98 3.058 3.605 -14.065 627 HE21 GLN 98 1HE2 GLN 98 0.982 4.060 -16.331 628 HE22 GLN 98 2HE2 GLN 98 1.430 2.869 -17.500 629 H HIS 99 H HIS 99 0.102 1.435 -10.486 630 HA HIS 99 HA HIS 99 0.562 -1.368 -10.482 631 HB3 HIS 99 2HB HIS 99 -0.713 -0.824 -8.092 632 HD1 HIS 99 1HD HIS 99 1.160 -2.915 -8.395 633 HD2 HIS 99 2HD HIS 99 2.535 0.915 -7.565 634 HE1 HIS 99 1HE HIS 99 3.475 -3.220 -7.461 635 H SER 100 H SER 100 -2.123 0.447 -11.332 636 HA SER 100 HA SER 100 -4.064 -1.577 -10.522 637 HB3 SER 100 2HB SER 100 -4.243 1.157 -10.705 638 HG SER 100 HG SER 100 -5.669 1.555 -12.424 639 H ILE 101 H ILE 101 -1.946 -1.253 -12.969 640 HA ILE 101 HA ILE 101 -3.682 -2.738 -14.823 641 HB ILE 101 HB ILE 101 -1.650 -0.655 -15.634 642 HG13 ILE 101 2HG1 ILE 101 -3.833 0.190 -14.680 643 HG21 ILE 101 1HG2 ILE 101 -1.554 -2.141 -17.376 644 HG22 ILE 101 2HG2 ILE 101 -3.212 -2.690 -17.143 645 HG23 ILE 101 3HG2 ILE 101 -2.899 -1.127 -17.897 646 HD11 ILE 101 3HD1 ILE 101 -3.664 1.971 -15.979 647 HD12 ILE 101 1HD1 ILE 101 -2.494 1.072 -16.947 648 HD13 ILE 101 2HD1 ILE 101 -4.201 1.065 -17.395 649 H SER 102 H SER 102 -0.404 -2.033 -13.724 650 HA SER 102 HA SER 102 0.370 -4.753 -14.510 651 HB3 SER 102 2HB SER 102 1.901 -2.215 -15.107 652 HG SER 102 HG SER 102 3.523 -3.687 -15.878 653 HA PRO 103 HA PRO 103 1.435 -3.827 -10.098 654 HB3 PRO 103 2HB PRO 103 -0.507 -4.814 -9.366 655 HG3 PRO 103 2HG PRO 103 -1.626 -6.376 -10.677 656 HD3 PRO 103 2HD PRO 103 -1.341 -4.691 -12.223 657 H ILE 104 H ILE 104 3.419 -4.248 -9.361 658 HA ILE 104 HA ILE 104 4.833 -6.600 -10.425 659 HB ILE 104 HB ILE 104 5.986 -4.034 -9.327 660 HG13 ILE 104 2HG1 ILE 104 4.921 -3.772 -11.534 661 HG21 ILE 104 1HG2 ILE 104 7.904 -5.119 -9.089 662 HG22 ILE 104 2HG2 ILE 104 7.135 -6.616 -9.614 663 HG23 ILE 104 3HG2 ILE 104 7.876 -5.542 -10.800 664 HD11 ILE 104 3HD1 ILE 104 7.910 -3.843 -11.854 665 HD12 ILE 104 1HD1 ILE 104 6.757 -2.902 -12.799 666 HD13 ILE 104 2HD1 ILE 104 7.013 -2.529 -11.093 667 H SER 105 H SER 105 5.318 -4.533 -7.569 668 HA SER 105 HA SER 105 6.284 -6.616 -5.950 669 HB3 SER 105 2HB SER 105 6.785 -4.301 -5.426 670 HG SER 105 HG SER 105 5.238 -2.849 -4.916 671 H LEU 106 H LEU 106 3.073 -5.594 -6.719 672 HA LEU 106 HA LEU 106 1.931 -7.192 -4.549 673 HB3 LEU 106 2HB LEU 106 -0.015 -6.015 -4.790 674 HG LEU 106 HG LEU 106 1.970 -4.059 -5.948 675 HD11 LEU 106 1HD1 LEU 106 -0.740 -3.799 -6.062 676 HD12 LEU 106 2HD1 LEU 106 0.406 -2.461 -5.995 677 HD13 LEU 106 3HD1 LEU 106 -0.367 -3.034 -4.518 678 HD21 LEU 106 3HD2 LEU 106 2.798 -4.171 -3.876 679 HD22 LEU 106 1HD2 LEU 106 1.403 -5.063 -3.269 680 HD23 LEU 106 2HD2 LEU 106 1.344 -3.303 -3.384 681 HA PRO 107 HA PRO 107 0.892 -10.615 -7.092 682 HB3 PRO 107 2HB PRO 107 0.077 -11.628 -5.199 683 HG3 PRO 107 2HG PRO 107 -1.047 -10.404 -3.572 684 HD3 PRO 107 2HD PRO 107 0.830 -9.091 -3.830 685 H CYS 108 H CYS 108 -1.785 -8.339 -6.545 686 HA CYS 108 HA CYS 108 -2.551 -8.696 -9.363 687 HB3 CYS 108 2HB CYS 108 -4.787 -7.924 -7.684 688 HG CYS 108 HG CYS 108 -4.334 -9.608 -10.394 689 H CYS 109 H CYS 109 -4.271 -6.820 -9.859 690 HA CYS 109 HA CYS 109 -2.770 -4.392 -9.615 691 HB3 CYS 109 2HB CYS 109 -4.333 -3.448 -11.127 692 HG CYS 109 HG CYS 109 -4.163 -6.779 -11.897 693 H LEU 110 H LEU 110 -3.149 -2.638 -8.362 694 HA LEU 110 HA LEU 110 -4.784 -2.974 -6.041 695 HB3 LEU 110 2HB LEU 110 -2.547 -1.586 -6.525 696 HG LEU 110 HG LEU 110 -4.695 0.533 -6.546 697 HD11 LEU 110 1HD1 LEU 110 -2.195 0.555 -5.273 698 HD12 LEU 110 2HD1 LEU 110 -3.269 1.921 -5.572 699 HD13 LEU 110 3HD1 LEU 110 -2.013 1.516 -6.741 700 HD21 LEU 110 3HD2 LEU 110 -4.081 1.054 -8.676 701 HD22 LEU 110 1HD2 LEU 110 -3.756 -0.680 -8.709 702 HD23 LEU 110 2HD2 LEU 110 -2.433 0.460 -8.466 703 H ARG 111 H ARG 111 -6.545 -1.665 -5.382 704 HA ARG 111 HA ARG 111 -8.195 -0.776 -7.627 705 HB3 ARG 111 2HB ARG 111 -9.477 -0.633 -5.035 706 HG3 ARG 111 2HG ARG 111 -10.629 -0.893 -7.228 707 HD3 ARG 111 2HD ARG 111 -10.299 -3.809 -7.150 708 HE ARG 111 HE ARG 111 -9.963 -2.396 -9.624 709 HH11 ARG 111 1HH1 ARG 111 -12.277 -3.539 -7.287 710 HH12 ARG 111 2HH1 ARG 111 -13.587 -3.597 -8.419 711 HH21 ARG 111 1HH2 ARG 111 -11.679 -2.469 -11.124 712 HH22 ARG 111 2HH2 ARG 111 -13.245 -2.989 -10.601 713 H ILE 112 H ILE 112 -8.477 1.303 -8.075 714 HA ILE 112 HA ILE 112 -7.770 3.286 -6.013 715 HB ILE 112 HB ILE 112 -7.694 3.642 -9.011 716 HG13 ILE 112 2HG1 ILE 112 -5.957 2.087 -8.053 717 HG21 ILE 112 1HG2 ILE 112 -7.854 5.533 -6.951 718 HG22 ILE 112 2HG2 ILE 112 -6.176 5.546 -7.490 719 HG23 ILE 112 3HG2 ILE 112 -7.475 5.823 -8.649 720 HD11 ILE 112 3HD1 ILE 112 -3.977 3.758 -8.799 721 HD12 ILE 112 1HD1 ILE 112 -4.983 2.842 -9.921 722 HD13 ILE 112 2HD1 ILE 112 -5.364 4.527 -9.567 723 HA PRO 113 HA PRO 113 -12.319 3.724 -6.837 724 HB3 PRO 113 2HB PRO 113 -12.847 2.422 -5.020 725 HG3 PRO 113 2HG PRO 113 -11.344 2.137 -3.270 726 HD3 PRO 113 2HD PRO 113 -9.969 1.657 -5.056 727 H SER 114 H SER 114 -9.848 5.544 -5.294 728 HA SER 114 HA SER 114 -11.208 7.813 -4.434 729 HB3 SER 114 2HB SER 114 -8.439 7.601 -5.642 730 HG SER 114 HG SER 114 -9.377 9.609 -3.888 731 H LYS 115 H LYS 115 -9.255 7.818 -7.402 732 HA LYS 115 HA LYS 115 -11.416 8.735 -9.042 733 HB3 LYS 115 2HB LYS 115 -11.107 10.851 -8.053 734 HG3 LYS 115 2HG LYS 115 -8.220 10.163 -8.050 735 HD3 LYS 115 2HD LYS 115 -9.106 13.021 -7.838 736 HE3 LYS 115 2HE LYS 115 -6.934 12.345 -6.876 737 HZ1 LYS 115 3HZ LYS 115 -5.358 12.039 -9.092 738 HZ2 LYS 115 1HZ LYS 115 -6.672 11.013 -9.384 739 HZ3 LYS 115 2HZ LYS 115 -5.758 10.834 -7.973 Start of MODEL 18 1 H1 MET 1 H MET 1 -16.345 4.458 -1.722 2 HA MET 1 HA MET 1 -16.584 6.964 -1.879 3 HB3 MET 1 2HB MET 1 -17.617 7.963 0.194 4 HG3 MET 1 2HG MET 1 -19.753 6.336 -1.067 5 HE1 MET 1 3HE MET 1 -22.099 8.204 -1.825 6 HE2 MET 1 1HE MET 1 -21.582 9.888 -1.913 7 HE3 MET 1 2HE MET 1 -20.702 8.648 -2.805 8 H ASP 2 H ASP 2 -14.343 6.498 -1.757 9 HA ASP 2 HA ASP 2 -13.201 7.125 0.831 10 HB3 ASP 2 2HB ASP 2 -11.693 5.214 0.887 11 H THR 3 H THR 3 -12.646 9.041 -0.326 12 HA THR 3 HA THR 3 -11.101 9.048 -2.691 13 HB THR 3 HB THR 3 -10.621 11.337 -0.937 14 HG1 THR 3 1HG THR 3 -13.314 10.796 -1.687 15 HG21 THR 3 3HG2 THR 3 -12.226 11.471 -3.436 16 HG22 THR 3 1HG2 THR 3 -10.544 10.965 -3.564 17 HG23 THR 3 2HG2 THR 3 -10.941 12.532 -2.861 18 H SER 4 H SER 4 -8.869 10.136 -2.723 19 HA SER 4 HA SER 4 -7.023 8.425 -1.485 20 HB3 SER 4 2HB SER 4 -6.596 9.689 -3.589 21 HG SER 4 HG SER 4 -7.231 11.729 -3.250 22 H LYS 5 H LYS 5 -8.426 11.438 -0.474 23 HA LYS 5 HA LYS 5 -6.514 12.141 1.491 24 HB3 LYS 5 2HB LYS 5 -8.241 13.636 2.364 25 HG3 LYS 5 2HG LYS 5 -9.061 14.623 0.084 26 HD3 LYS 5 2HD LYS 5 -6.143 14.461 0.843 27 HE3 LYS 5 2HE LYS 5 -6.729 15.360 -1.475 28 HZ1 LYS 5 3HZ LYS 5 -8.535 16.708 -1.314 29 HZ2 LYS 5 1HZ LYS 5 -7.327 17.875 -1.113 30 HZ3 LYS 5 2HZ LYS 5 -8.146 17.264 0.235 31 H PHE 6 H PHE 6 -9.139 9.878 1.432 32 HA PHE 6 HA PHE 6 -9.147 9.553 4.320 33 HB3 PHE 6 2HB PHE 6 -10.660 7.494 3.160 34 HD1 PHE 6 2HD PHE 6 -10.837 7.941 5.744 35 HD2 PHE 6 1HD PHE 6 -12.601 10.377 2.732 36 HE1 PHE 6 2HE PHE 6 -12.449 8.805 7.390 37 HE2 PHE 6 1HE PHE 6 -14.214 11.245 4.374 38 HZ PHE 6 HZ PHE 6 -14.140 10.459 6.706 39 H TRP 7 H TRP 7 -7.780 8.074 1.503 40 HA TRP 7 HA TRP 7 -6.987 5.686 2.984 41 HB3 TRP 7 2HB TRP 7 -5.901 5.174 0.657 42 HD1 TRP 7 HD TRP 7 -9.017 5.491 -1.000 43 HE1 TRP 7 1HE TRP 7 -10.619 3.539 -0.504 44 HE3 TRP 7 3HE TRP 7 -6.715 3.587 3.148 45 HZ2 TRP 7 2HZ TRP 7 -10.873 1.466 1.394 46 HZ3 TRP 7 3HZ TRP 7 -7.702 1.618 4.244 47 HH2 TRP 7 HH TRP 7 -9.738 0.581 3.385 48 H TYR 8 H TYR 8 -5.842 8.760 2.523 49 HA TYR 8 HA TYR 8 -3.035 7.902 2.778 50 HB3 TYR 8 2HB TYR 8 -4.194 10.490 1.729 51 HD1 TYR 8 1HD TYR 8 -2.982 12.034 3.167 52 HD2 TYR 8 2HD TYR 8 -0.922 9.068 0.915 53 HE1 TYR 8 1HE TYR 8 -0.859 13.207 3.574 54 HE2 TYR 8 2HE TYR 8 1.206 10.234 1.317 55 HH TYR 8 HH TYR 8 1.429 12.950 3.510 56 H LYS 9 H LYS 9 -2.442 7.892 4.840 57 HA LYS 9 HA LYS 9 -2.993 10.264 6.467 58 HB3 LYS 9 2HB LYS 9 -3.475 8.807 8.432 59 HG3 LYS 9 2HG LYS 9 -5.279 8.816 6.063 60 HD3 LYS 9 2HD LYS 9 -5.354 6.796 8.064 61 HE3 LYS 9 2HE LYS 9 -7.897 7.340 8.549 62 HZ1 LYS 9 3HZ LYS 9 -6.218 6.952 10.249 63 HZ2 LYS 9 1HZ LYS 9 -7.241 8.225 10.691 64 HZ3 LYS 9 2HZ LYS 9 -5.685 8.553 10.116 65 HA PRO 10 HA PRO 10 1.421 9.573 6.909 66 HB3 PRO 10 2HB PRO 10 1.690 11.788 6.364 67 HG3 PRO 10 2HG PRO 10 0.031 13.349 6.833 68 HD3 PRO 10 2HD PRO 10 -1.230 11.733 5.780 69 H HIS 11 H HIS 11 -0.760 10.724 9.451 70 HA HIS 11 HA HIS 11 1.028 9.998 11.580 71 HB3 HIS 11 2HB HIS 11 -1.340 10.295 12.838 72 HD1 HIS 11 1HD HIS 11 0.067 11.451 14.570 73 HD2 HIS 11 2HD HIS 11 0.065 13.438 10.922 74 HE1 HIS 11 1HE HIS 11 1.223 13.643 14.998 75 H LEU 12 H LEU 12 -1.403 8.411 9.728 76 HA LEU 12 HA LEU 12 -2.359 6.467 11.433 77 HB3 LEU 12 2HB LEU 12 -1.684 6.335 8.504 78 HG LEU 12 HG LEU 12 -2.821 4.195 10.200 79 HD11 LEU 12 1HD1 LEU 12 -4.840 4.770 9.118 80 HD12 LEU 12 2HD1 LEU 12 -4.174 3.406 8.219 81 HD13 LEU 12 3HD1 LEU 12 -4.024 5.042 7.577 82 HD21 LEU 12 3HD2 LEU 12 -1.698 2.790 8.719 83 HD22 LEU 12 1HD2 LEU 12 -0.644 4.199 8.833 84 HD23 LEU 12 2HD2 LEU 12 -1.692 3.994 7.430 85 H SER 13 H SER 13 -1.667 4.495 12.157 86 HA SER 13 HA SER 13 1.214 4.016 11.955 87 HB3 SER 13 2HB SER 13 0.776 3.927 14.202 88 HG SER 13 HG SER 13 -1.190 3.848 14.955 89 H ARG 14 H ARG 14 1.985 1.792 11.740 90 HA ARG 14 HA ARG 14 1.011 0.521 9.471 91 HB3 ARG 14 2HB ARG 14 3.266 0.130 10.168 92 HG3 ARG 14 2HG ARG 14 2.386 0.057 12.735 93 HD3 ARG 14 2HD ARG 14 1.733 -2.413 12.086 94 HE ARG 14 HE ARG 14 4.579 -2.587 12.046 95 HH11 ARG 14 1HH1 ARG 14 1.679 -4.275 12.974 96 HH12 ARG 14 2HH1 ARG 14 2.395 -5.846 12.845 97 HH21 ARG 14 1HH2 ARG 14 5.535 -4.652 11.872 98 HH22 ARG 14 2HH2 ARG 14 4.589 -6.060 12.219 99 H ASP 15 H ASP 15 0.498 -0.299 12.887 100 HA ASP 15 HA ASP 15 -1.002 -2.621 12.515 101 HB3 ASP 15 2HB ASP 15 -1.694 -0.770 14.755 102 H GLN 16 H GLN 16 -2.024 0.764 12.656 103 HA GLN 16 HA GLN 16 -4.797 0.298 12.570 104 HB3 GLN 16 2HB GLN 16 -4.538 2.711 11.333 105 HG3 GLN 16 2HG GLN 16 -4.367 3.695 13.683 106 HE21 GLN 16 1HE2 GLN 16 -6.309 1.321 14.801 107 HE22 GLN 16 2HE2 GLN 16 -7.821 1.835 14.143 108 H ALA 17 H ALA 17 -2.402 0.753 10.011 109 HA ALA 17 HA ALA 17 -4.211 0.824 7.849 110 HB1 ALA 17 1HB ALA 17 -2.045 -0.087 6.627 111 HB2 ALA 17 2HB ALA 17 -2.161 1.578 7.198 112 HB3 ALA 17 3HB ALA 17 -1.291 0.378 8.152 113 H ILE 18 H ILE 18 -2.518 -1.839 9.444 114 HA ILE 18 HA ILE 18 -3.291 -3.861 7.629 115 HB ILE 18 HB ILE 18 -2.590 -4.111 10.556 116 HG13 ILE 18 2HG1 ILE 18 -0.908 -3.084 8.867 117 HG21 ILE 18 1HG2 ILE 18 -1.860 -6.448 9.311 118 HG22 ILE 18 2HG2 ILE 18 -3.300 -6.213 10.300 119 HG23 ILE 18 3HG2 ILE 18 -3.400 -6.058 8.546 120 HD11 ILE 18 3HD1 ILE 18 0.010 -3.687 10.923 121 HD12 ILE 18 1HD1 ILE 18 -0.266 -5.407 10.644 122 HD13 ILE 18 2HD1 ILE 18 0.981 -4.554 9.733 123 H ALA 19 H ALA 19 -4.740 -2.656 10.624 124 HA ALA 19 HA ALA 19 -6.819 -4.574 10.756 125 HB1 ALA 19 1HB ALA 19 -6.677 -1.800 11.930 126 HB2 ALA 19 2HB ALA 19 -7.860 -3.035 12.362 127 HB3 ALA 19 3HB ALA 19 -6.149 -3.293 12.705 128 H LEU 20 H LEU 20 -6.533 -1.425 9.210 129 HA LEU 20 HA LEU 20 -9.289 -1.213 8.505 130 HB3 LEU 20 2HB LEU 20 -7.463 0.222 6.764 131 HG LEU 20 HG LEU 20 -9.906 0.824 7.628 132 HD11 LEU 20 1HD1 LEU 20 -9.255 2.886 9.231 133 HD12 LEU 20 2HD1 LEU 20 -8.080 1.687 9.771 134 HD13 LEU 20 3HD1 LEU 20 -9.803 1.318 9.823 135 HD21 LEU 20 3HD2 LEU 20 -9.152 3.298 7.206 136 HD22 LEU 20 1HD2 LEU 20 -9.111 2.111 5.901 137 HD23 LEU 20 2HD2 LEU 20 -7.626 2.536 6.754 138 H LEU 21 H LEU 21 -6.459 -2.621 7.022 139 HA LEU 21 HA LEU 21 -7.643 -2.948 4.432 140 HB3 LEU 21 2HB LEU 21 -5.661 -4.663 4.281 141 HG LEU 21 HG LEU 21 -5.086 -1.714 4.582 142 HD11 LEU 21 1HD1 LEU 21 -3.451 -3.846 3.216 143 HD12 LEU 21 2HD1 LEU 21 -3.086 -3.159 4.798 144 HD13 LEU 21 3HD1 LEU 21 -3.058 -2.133 3.364 145 HD21 LEU 21 3HD2 LEU 21 -6.645 -3.019 2.700 146 HD22 LEU 21 1HD2 LEU 21 -5.078 -2.838 1.911 147 HD23 LEU 21 2HD2 LEU 21 -5.918 -1.420 2.538 148 H LYS 22 H LYS 22 -7.166 -4.996 7.271 149 HA LYS 22 HA LYS 22 -8.228 -7.352 6.050 150 HB3 LYS 22 2HB LYS 22 -6.653 -7.254 8.044 151 HG3 LYS 22 2HG LYS 22 -9.222 -6.735 9.530 152 HD3 LYS 22 2HD LYS 22 -7.050 -6.621 11.266 153 HE3 LYS 22 2HE LYS 22 -9.069 -8.811 10.792 154 HZ1 LYS 22 3HZ LYS 22 -6.931 -8.603 12.691 155 HZ2 LYS 22 1HZ LYS 22 -7.912 -9.929 12.311 156 HZ3 LYS 22 2HZ LYS 22 -8.441 -8.779 13.432 157 H ASP 23 H ASP 23 -9.631 -4.530 7.255 158 HA ASP 23 HA ASP 23 -12.215 -5.876 7.681 159 HB3 ASP 23 2HB ASP 23 -11.842 -3.025 8.447 160 H LYS 24 H LYS 24 -10.602 -4.521 5.269 161 HA LYS 24 HA LYS 24 -12.982 -3.181 4.159 162 HB3 LYS 24 2HB LYS 24 -11.140 -2.110 2.616 163 HG3 LYS 24 2HG LYS 24 -10.618 -0.543 4.785 164 HD3 LYS 24 2HD LYS 24 -13.201 -0.526 3.227 165 HE3 LYS 24 2HE LYS 24 -11.705 1.932 3.916 166 HZ1 LYS 24 3HZ LYS 24 -14.500 1.104 3.569 167 HZ2 LYS 24 1HZ LYS 24 -13.673 2.413 2.887 168 HZ3 LYS 24 2HZ LYS 24 -14.169 2.475 4.502 169 H ASP 25 H ASP 25 -13.249 -3.369 1.823 170 HA ASP 25 HA ASP 25 -13.249 -5.975 0.908 171 HB3 ASP 25 2HB ASP 25 -13.406 -4.843 -1.422 172 HA PRO 26 HA PRO 26 -9.204 -6.933 -0.492 173 HB3 PRO 26 2HB PRO 26 -10.005 -9.019 -1.031 174 HG3 PRO 26 2HG PRO 26 -12.137 -9.292 -1.918 175 HD3 PRO 26 2HD PRO 26 -12.631 -7.967 -0.099 176 H GLY 27 H GLY 27 -7.631 -6.087 -1.764 177 HA2 GLY 27 2HA GLY 27 -6.766 -5.252 -3.823 178 HA3 GLY 27 3HA GLY 27 -8.400 -4.809 -4.294 179 H ALA 28 H ALA 28 -8.643 -3.722 -1.407 180 HA ALA 28 HA ALA 28 -8.052 -1.017 -2.089 181 HB1 ALA 28 1HB ALA 28 -8.533 -1.093 0.651 182 HB2 ALA 28 2HB ALA 28 -9.706 -0.769 -0.626 183 HB3 ALA 28 3HB ALA 28 -9.496 -2.412 -0.016 184 H PHE 29 H PHE 29 -6.565 0.396 -1.124 185 HA PHE 29 HA PHE 29 -4.492 -0.750 0.579 186 HB3 PHE 29 2HB PHE 29 -3.732 -1.054 -1.773 187 HD1 PHE 29 2HD PHE 29 -2.706 2.435 -1.204 188 HD2 PHE 29 1HD PHE 29 -4.906 -0.248 -3.672 189 HE1 PHE 29 2HE PHE 29 -2.927 4.192 -2.912 190 HE2 PHE 29 1HE PHE 29 -5.130 1.506 -5.384 191 HZ PHE 29 HZ PHE 29 -4.141 3.729 -5.004 192 H LEU 30 H LEU 30 -2.909 1.009 1.268 193 HA LEU 30 HA LEU 30 -3.983 3.703 1.232 194 HB3 LEU 30 2HB LEU 30 -5.094 2.419 3.118 195 HG LEU 30 HG LEU 30 -2.703 1.483 3.877 196 HD11 LEU 30 1HD1 LEU 30 -1.540 2.757 5.324 197 HD12 LEU 30 2HD1 LEU 30 -2.985 3.529 5.978 198 HD13 LEU 30 3HD1 LEU 30 -2.304 4.083 4.449 199 HD21 LEU 30 3HD2 LEU 30 -3.879 0.547 5.545 200 HD22 LEU 30 1HD2 LEU 30 -5.254 1.370 4.807 201 HD23 LEU 30 2HD2 LEU 30 -4.418 2.104 6.176 202 H ILE 31 H ILE 31 -2.505 5.280 2.141 203 HA ILE 31 HA ILE 31 0.272 4.295 2.232 204 HB ILE 31 HB ILE 31 -0.715 6.939 1.155 205 HG13 ILE 31 2HG1 ILE 31 -0.807 4.555 -0.121 206 HG21 ILE 31 1HG2 ILE 31 2.012 5.872 1.734 207 HG22 ILE 31 2HG2 ILE 31 1.777 6.981 0.384 208 HG23 ILE 31 3HG2 ILE 31 1.350 7.481 2.021 209 HD11 ILE 31 3HD1 ILE 31 -1.270 7.084 -0.886 210 HD12 ILE 31 1HD1 ILE 31 0.139 6.713 -1.879 211 HD13 ILE 31 2HD1 ILE 31 -1.305 5.705 -1.984 212 H ARG 32 H ARG 32 1.608 5.055 3.815 213 HA ARG 32 HA ARG 32 0.618 7.141 5.612 214 HB3 ARG 32 2HB ARG 32 -0.106 5.047 6.629 215 HG3 ARG 32 2HG ARG 32 2.223 3.942 5.628 216 HD3 ARG 32 2HD ARG 32 2.327 3.954 8.641 217 HE ARG 32 HE ARG 32 3.468 2.157 6.837 218 HH11 ARG 32 1HH1 ARG 32 4.434 4.200 9.484 219 HH12 ARG 32 2HH1 ARG 32 5.753 3.183 9.960 220 HH21 ARG 32 1HH2 ARG 32 5.201 0.809 7.453 221 HH22 ARG 32 2HH2 ARG 32 6.188 1.254 8.803 222 H ASP 33 H ASP 33 2.324 7.864 7.155 223 HA ASP 33 HA ASP 33 4.707 8.466 5.764 224 HB3 ASP 33 2HB ASP 33 4.410 8.697 8.750 225 H SER 34 H SER 34 6.421 7.229 5.448 226 HA SER 34 HA SER 34 6.783 4.798 6.972 227 HB3 SER 34 2HB SER 34 8.829 5.702 5.001 228 HG SER 34 HG SER 34 9.187 3.649 5.161 229 H HIS 35 H HIS 35 7.591 5.074 8.963 230 HA HIS 35 HA HIS 35 9.416 7.129 9.678 231 HB3 HIS 35 2HB HIS 35 9.656 5.166 11.629 232 HD1 HIS 35 1HD HIS 35 6.408 6.166 12.406 233 HD2 HIS 35 2HD HIS 35 9.999 8.226 12.058 234 HE1 HIS 35 1HE HIS 35 6.095 8.289 13.716 235 H SER 36 H SER 36 9.837 4.213 8.053 236 HA SER 36 HA SER 36 12.238 3.201 8.968 237 HB3 SER 36 2HB SER 36 12.515 2.816 6.296 238 HG SER 36 HG SER 36 11.676 0.881 6.727 239 H PHE 37 H PHE 37 12.054 5.216 6.039 240 HA PHE 37 HA PHE 37 14.396 6.714 6.966 241 HB3 PHE 37 2HB PHE 37 14.745 6.367 4.189 242 HD1 PHE 37 2HD PHE 37 15.834 3.786 6.577 243 HD2 PHE 37 1HD PHE 37 16.812 7.446 4.636 244 HE1 PHE 37 2HE PHE 37 18.158 3.572 7.352 245 HE2 PHE 37 1HE PHE 37 19.138 7.237 5.408 246 HZ PHE 37 HZ PHE 37 19.814 5.299 6.768 247 H GLN 38 H GLN 38 14.752 8.718 5.774 248 HA GLN 38 HA GLN 38 12.354 10.163 5.408 249 HB3 GLN 38 2HB GLN 38 14.030 11.885 4.377 250 HG3 GLN 38 2HG GLN 38 14.962 11.332 7.095 251 HE21 GLN 38 1HE2 GLN 38 15.814 13.129 5.210 252 HE22 GLN 38 2HE2 GLN 38 15.336 14.724 5.671 253 H GLY 39 H GLY 39 11.381 10.991 3.560 254 HA2 GLY 39 2HA GLY 39 10.791 11.114 1.338 255 HA3 GLY 39 3HA GLY 39 12.409 10.559 0.937 256 H ALA 40 H ALA 40 10.332 8.719 3.043 257 HA ALA 40 HA ALA 40 9.822 6.815 0.855 258 HB1 ALA 40 1HB ALA 40 11.686 6.059 2.317 259 HB2 ALA 40 2HB ALA 40 10.556 6.029 3.671 260 HB3 ALA 40 3HB ALA 40 10.309 4.958 2.293 261 H TYR 41 H TYR 41 7.848 5.810 0.851 262 HA TYR 41 HA TYR 41 5.974 6.575 2.993 263 HB3 TYR 41 2HB TYR 41 4.199 6.550 1.179 264 HD1 TYR 41 2HD TYR 41 7.365 8.374 0.378 265 HD2 TYR 41 1HD TYR 41 3.335 8.619 1.721 266 HE1 TYR 41 2HE TYR 41 7.544 10.826 0.451 267 HE2 TYR 41 1HE TYR 41 3.502 11.072 1.796 268 HH TYR 41 HH TYR 41 5.721 12.810 0.276 269 H GLY 42 H GLY 42 4.828 4.972 3.894 270 HA2 GLY 42 2HA GLY 42 5.346 2.256 2.989 271 HA3 GLY 42 3HA GLY 42 4.546 2.725 4.482 272 H LEU 43 H LEU 43 4.090 1.328 1.523 273 HA LEU 43 HA LEU 43 1.253 2.095 1.407 274 HB3 LEU 43 2HB LEU 43 3.045 0.847 -0.670 275 HG LEU 43 HG LEU 43 0.685 0.082 -0.955 276 HD11 LEU 43 1HD1 LEU 43 -0.996 1.496 -0.678 277 HD12 LEU 43 2HD1 LEU 43 -0.403 2.476 -2.018 278 HD13 LEU 43 3HD1 LEU 43 0.146 2.805 -0.375 279 HD21 LEU 43 3HD2 LEU 43 0.617 0.522 -3.294 280 HD22 LEU 43 1HD2 LEU 43 2.315 0.410 -2.831 281 HD23 LEU 43 2HD2 LEU 43 1.579 1.989 -3.108 282 H ALA 44 H ALA 44 -0.238 0.674 2.014 283 HA ALA 44 HA ALA 44 0.533 -2.166 2.200 284 HB1 ALA 44 1HB ALA 44 -0.932 -2.385 4.116 285 HB2 ALA 44 2HB ALA 44 0.252 -1.109 4.403 286 HB3 ALA 44 3HB ALA 44 -1.408 -0.692 3.976 287 H LEU 45 H LEU 45 -0.790 -3.659 1.305 288 HA LEU 45 HA LEU 45 -3.395 -2.765 0.275 289 HB3 LEU 45 2HB LEU 45 -1.169 -4.123 -1.195 290 HG LEU 45 HG LEU 45 -3.165 -5.530 -1.623 291 HD11 LEU 45 1HD1 LEU 45 -4.707 -3.937 -3.286 292 HD12 LEU 45 2HD1 LEU 45 -4.409 -2.930 -1.870 293 HD13 LEU 45 3HD1 LEU 45 -5.144 -4.522 -1.680 294 HD21 LEU 45 3HD2 LEU 45 -2.521 -5.808 -3.751 295 HD22 LEU 45 1HD2 LEU 45 -1.352 -4.535 -3.397 296 HD23 LEU 45 2HD2 LEU 45 -2.880 -4.135 -4.182 297 H LYS 46 H LYS 46 -5.018 -4.298 0.248 298 HA LYS 46 HA LYS 46 -4.465 -6.703 1.831 299 HB3 LYS 46 2HB LYS 46 -7.201 -5.695 1.086 300 HG3 LYS 46 2HG LYS 46 -6.863 -6.639 3.780 301 HD3 LYS 46 2HD LYS 46 -8.456 -7.716 1.452 302 HE3 LYS 46 2HE LYS 46 -8.112 -8.654 4.117 303 HZ1 LYS 46 3HZ LYS 46 -9.974 -6.938 4.450 304 HZ2 LYS 46 1HZ LYS 46 -10.205 -8.503 5.049 305 HZ3 LYS 46 2HZ LYS 46 -10.947 -8.032 3.604 306 H VAL 47 H VAL 47 -4.775 -8.729 1.066 307 HA VAL 47 HA VAL 47 -5.421 -8.973 -1.788 308 HB VAL 47 HB VAL 47 -4.296 -11.215 -0.149 309 HG11 VAL 47 1HG1 VAL 47 -4.386 -10.434 -3.031 310 HG12 VAL 47 2HG1 VAL 47 -3.109 -11.504 -2.450 311 HG13 VAL 47 3HG1 VAL 47 -4.801 -11.971 -2.271 312 HG21 VAL 47 3HG2 VAL 47 -2.664 -9.728 0.447 313 HG22 VAL 47 1HG2 VAL 47 -2.037 -10.248 -1.117 314 HG23 VAL 47 2HG2 VAL 47 -2.907 -8.720 -0.980 315 H ALA 48 H ALA 48 -6.628 -10.928 -2.457 316 HA ALA 48 HA ALA 48 -8.718 -11.597 -0.488 317 HB1 ALA 48 1HB ALA 48 -10.309 -11.133 -1.981 318 HB2 ALA 48 2HB ALA 48 -9.046 -10.319 -2.906 319 HB3 ALA 48 3HB ALA 48 -9.468 -11.993 -3.271 320 H THR 49 H THR 49 -6.242 -13.027 -0.817 321 HA THR 49 HA THR 49 -7.232 -15.669 -0.941 322 HB THR 49 HB THR 49 -5.409 -16.045 -2.971 323 HG1 THR 49 1HG THR 49 -7.080 -13.989 -3.930 324 HG21 THR 49 3HG2 THR 49 -7.172 -17.305 -3.501 325 HG22 THR 49 1HG2 THR 49 -7.901 -15.874 -4.228 326 HG23 THR 49 2HG2 THR 49 -8.255 -16.288 -2.551 327 HA PRO 50 HA PRO 50 -3.521 -16.471 1.260 328 HB3 PRO 50 2HB PRO 50 -4.336 -18.580 1.669 329 HG3 PRO 50 2HG PRO 50 -5.521 -19.744 0.043 330 HD3 PRO 50 2HD PRO 50 -6.645 -17.733 -0.011 331 HA PRO 51 HA PRO 51 0.100 -15.987 -1.189 332 HB3 PRO 51 2HB PRO 51 1.300 -15.848 0.766 333 HG3 PRO 51 2HG PRO 51 0.785 -17.198 2.588 334 HD3 PRO 51 2HD PRO 51 -1.310 -16.370 2.103 335 HA PRO 52 HA PRO 52 0.824 -19.338 -3.943 336 HB3 PRO 52 2HB PRO 52 2.207 -17.945 -5.137 337 HG3 PRO 52 2HG PRO 52 3.617 -16.442 -4.059 338 HD3 PRO 52 2HD PRO 52 1.632 -15.960 -2.992 339 H SER 53 H SER 53 2.369 -19.235 -0.928 340 HA SER 53 HA SER 53 3.656 -21.839 -1.281 341 HB3 SER 53 2HB SER 53 3.795 -19.739 0.878 342 HG SER 53 HG SER 53 4.090 -21.369 2.188 343 H ALA 54 H ALA 54 1.916 -20.454 1.491 344 HA ALA 54 HA ALA 54 -0.295 -22.167 1.426 345 HB1 ALA 54 1HB ALA 54 0.609 -24.115 2.030 346 HB2 ALA 54 2HB ALA 54 2.132 -23.358 2.500 347 HB3 ALA 54 3HB ALA 54 0.783 -23.404 3.635 348 H GLN 55 H GLN 55 1.955 -21.188 4.020 349 HA GLN 55 HA GLN 55 1.660 -19.926 5.889 350 HB3 GLN 55 2HB GLN 55 -0.381 -18.554 4.132 351 HG3 GLN 55 2HG GLN 55 0.844 -16.760 5.935 352 HE21 GLN 55 1HE2 GLN 55 -1.389 -16.852 7.812 353 HE22 GLN 55 2HE2 GLN 55 -2.775 -16.314 6.931 354 HA PRO 56 HA PRO 56 -2.034 -22.471 7.090 355 HB3 PRO 56 2HB PRO 56 -0.733 -24.335 7.431 356 HG3 PRO 56 2HG PRO 56 1.547 -24.146 7.848 357 HD3 PRO 56 2HD PRO 56 1.374 -22.814 5.975 358 H TRP 57 H TRP 57 -3.280 -22.332 9.013 359 HA TRP 57 HA TRP 57 -3.192 -19.847 10.313 360 HB3 TRP 57 2HB TRP 57 -4.954 -20.761 11.775 361 HD1 TRP 57 HD TRP 57 -4.787 -19.351 8.813 362 HE1 TRP 57 1HE TRP 57 -6.810 -19.636 7.249 363 HE3 TRP 57 3HE TRP 57 -6.900 -23.478 10.965 364 HZ2 TRP 57 2HZ TRP 57 -9.013 -21.379 6.966 365 HZ3 TRP 57 3HZ TRP 57 -8.965 -24.392 9.987 366 HH2 TRP 57 HH TRP 57 -9.998 -23.362 8.030 367 H LYS 58 H LYS 58 -1.282 -19.427 11.349 368 HA LYS 58 HA LYS 58 -0.697 -21.109 13.695 369 HB3 LYS 58 2HB LYS 58 1.713 -20.396 13.373 370 HG3 LYS 58 2HG LYS 58 1.070 -21.845 10.890 371 HD3 LYS 58 2HD LYS 58 2.601 -23.509 12.163 372 HE3 LYS 58 2HE LYS 58 3.145 -21.745 10.294 373 HZ1 LYS 58 3HZ LYS 58 4.204 -20.526 12.737 374 HZ2 LYS 58 1HZ LYS 58 3.587 -19.790 11.344 375 HZ3 LYS 58 2HZ LYS 58 5.146 -20.443 11.334 376 H GLY 59 H GLY 59 -2.325 -18.644 13.363 377 HA2 GLY 59 2HA GLY 59 -2.679 -17.092 15.151 378 HA3 GLY 59 3HA GLY 59 -0.942 -17.064 15.423 379 H ASP 60 H ASP 60 -3.441 -15.277 14.315 380 HA ASP 60 HA ASP 60 -3.665 -13.421 13.014 381 HB3 ASP 60 2HB ASP 60 -1.866 -11.835 13.115 382 HA PRO 61 HA PRO 61 -1.986 -15.671 9.288 383 HB3 PRO 61 2HB PRO 61 -3.725 -17.172 9.270 384 HG3 PRO 61 2HG PRO 61 -5.746 -16.678 10.308 385 HD3 PRO 61 2HD PRO 61 -4.286 -16.161 12.014 386 H VAL 62 H VAL 62 -3.932 -12.903 9.922 387 HA VAL 62 HA VAL 62 -4.305 -11.892 7.334 388 HB VAL 62 HB VAL 62 -5.402 -10.998 9.388 389 HG11 VAL 62 1HG1 VAL 62 -3.162 -10.948 10.647 390 HG12 VAL 62 2HG1 VAL 62 -2.917 -9.388 9.857 391 HG13 VAL 62 3HG1 VAL 62 -4.302 -9.632 10.923 392 HG21 VAL 62 3HG2 VAL 62 -4.450 -8.489 8.519 393 HG22 VAL 62 1HG2 VAL 62 -4.414 -9.567 7.124 394 HG23 VAL 62 2HG2 VAL 62 -5.916 -9.329 8.016 395 H GLU 63 H GLU 63 -1.495 -12.040 9.345 396 HA GLU 63 HA GLU 63 0.038 -9.941 8.391 397 HB3 GLU 63 2HB GLU 63 1.850 -12.026 8.690 398 HG3 GLU 63 2HG GLU 63 1.924 -9.802 9.796 399 H GLN 64 H GLN 64 -0.792 -12.960 6.867 400 HA GLN 64 HA GLN 64 1.097 -12.496 4.688 401 HB3 GLN 64 2HB GLN 64 -0.759 -14.756 4.441 402 HG3 GLN 64 2HG GLN 64 1.210 -14.639 3.054 403 HE21 GLN 64 1HE2 GLN 64 2.772 -16.017 5.841 404 HE22 GLN 64 2HE2 GLN 64 4.111 -14.926 5.881 405 H LEU 65 H LEU 65 -2.260 -12.183 5.447 406 HA LEU 65 HA LEU 65 -3.159 -12.044 2.718 407 HB3 LEU 65 2HB LEU 65 -5.251 -11.093 3.872 408 HG LEU 65 HG LEU 65 -4.383 -13.852 4.736 409 HD11 LEU 65 1HD1 LEU 65 -7.208 -12.987 4.329 410 HD12 LEU 65 2HD1 LEU 65 -6.396 -12.624 5.851 411 HD13 LEU 65 3HD1 LEU 65 -6.563 -14.297 5.318 412 HD21 LEU 65 3HD2 LEU 65 -5.832 -12.883 2.277 413 HD22 LEU 65 1HD2 LEU 65 -5.723 -14.573 2.770 414 HD23 LEU 65 2HD2 LEU 65 -4.261 -13.682 2.346 415 H VAL 66 H VAL 66 -1.360 -10.002 4.563 416 HA VAL 66 HA VAL 66 -2.306 -7.649 3.061 417 HB VAL 66 HB VAL 66 -1.213 -7.645 5.879 418 HG11 VAL 66 1HG1 VAL 66 -0.479 -5.641 4.956 419 HG12 VAL 66 2HG1 VAL 66 -1.924 -5.456 3.960 420 HG13 VAL 66 3HG1 VAL 66 -2.015 -5.200 5.704 421 HG21 VAL 66 3HG2 VAL 66 -3.871 -7.978 4.859 422 HG22 VAL 66 1HG2 VAL 66 -3.310 -7.976 6.531 423 HG23 VAL 66 2HG2 VAL 66 -3.760 -6.460 5.751 424 H ARG 67 H ARG 67 -0.820 -6.830 1.751 425 HA ARG 67 HA ARG 67 2.003 -7.498 2.239 426 HB3 ARG 67 2HB ARG 67 2.028 -6.615 -0.298 427 HG3 ARG 67 2HG ARG 67 1.069 -9.392 0.348 428 HD3 ARG 67 2HD ARG 67 1.781 -8.097 -2.066 429 HE ARG 67 HE ARG 67 4.106 -9.099 -1.125 430 HH11 ARG 67 1HH1 ARG 67 1.958 -10.069 -3.687 431 HH12 ARG 67 2HH1 ARG 67 3.219 -10.748 -4.663 432 HH21 ARG 67 1HH2 ARG 67 5.774 -9.989 -2.401 433 HH22 ARG 67 2HH2 ARG 67 5.389 -10.703 -3.930 434 H HIS 68 H HIS 68 3.180 -5.914 3.068 435 HA HIS 68 HA HIS 68 2.512 -3.136 2.347 436 HB3 HIS 68 2HB HIS 68 2.079 -3.562 4.710 437 HD1 HIS 68 1HD HIS 68 2.614 -5.995 5.519 438 HD2 HIS 68 2HD HIS 68 5.862 -3.402 5.516 439 HE1 HIS 68 1HE HIS 68 4.386 -7.134 6.892 440 H PHE 69 H PHE 69 4.010 -2.059 1.251 441 HA PHE 69 HA PHE 69 6.819 -2.888 1.500 442 HB3 PHE 69 2HB PHE 69 6.922 -2.204 -1.025 443 HD1 PHE 69 1HD PHE 69 8.381 -4.130 0.100 444 HD2 PHE 69 2HD PHE 69 4.495 -4.633 -1.564 445 HE1 PHE 69 1HE PHE 69 8.825 -6.531 -0.205 446 HE2 PHE 69 2HE PHE 69 4.933 -7.033 -1.871 447 HZ PHE 69 HZ PHE 69 7.100 -7.986 -1.190 448 H LEU 70 H LEU 70 8.370 -1.248 1.160 449 HA LEU 70 HA LEU 70 7.315 1.444 1.628 450 HB3 LEU 70 2HB LEU 70 8.851 0.865 3.293 451 HG LEU 70 HG LEU 70 10.425 -0.457 1.169 452 HD11 LEU 70 1HD1 LEU 70 12.121 1.042 1.634 453 HD12 LEU 70 2HD1 LEU 70 12.441 -0.252 2.786 454 HD13 LEU 70 3HD1 LEU 70 11.641 1.225 3.322 455 HD21 LEU 70 3HD2 LEU 70 10.704 -2.121 2.787 456 HD22 LEU 70 1HD2 LEU 70 9.066 -1.523 3.058 457 HD23 LEU 70 2HD2 LEU 70 10.379 -1.009 4.119 458 H ILE 71 H ILE 71 7.417 2.982 0.127 459 HA ILE 71 HA ILE 71 8.954 2.431 -2.316 460 HB ILE 71 HB ILE 71 6.856 4.566 -2.064 461 HG13 ILE 71 2HG1 ILE 71 6.501 1.644 -2.099 462 HG21 ILE 71 1HG2 ILE 71 6.708 4.376 -4.440 463 HG22 ILE 71 2HG2 ILE 71 8.415 4.502 -4.015 464 HG23 ILE 71 3HG2 ILE 71 7.726 2.936 -4.442 465 HD11 ILE 71 3HD1 ILE 71 5.234 3.938 -0.940 466 HD12 ILE 71 1HD1 ILE 71 4.049 2.941 -1.784 467 HD13 ILE 71 2HD1 ILE 71 5.064 2.232 -0.527 468 H GLU 72 H GLU 72 10.521 3.782 -3.019 469 HA GLU 72 HA GLU 72 11.160 6.079 -1.295 470 HB3 GLU 72 2HB GLU 72 12.936 4.478 -1.268 471 HG3 GLU 72 2HG GLU 72 12.992 4.613 -4.274 472 H THR 73 H THR 73 11.304 8.086 -2.125 473 HA THR 73 HA THR 73 10.995 8.378 -5.043 474 HB THR 73 HB THR 73 8.908 9.020 -4.055 475 HG1 THR 73 1HG THR 73 8.918 11.290 -4.623 476 HG21 THR 73 3HG2 THR 73 10.529 9.867 -1.888 477 HG22 THR 73 1HG2 THR 73 8.770 9.798 -1.974 478 HG23 THR 73 2HG2 THR 73 9.621 11.268 -2.455 479 H GLY 74 H GLY 74 12.642 9.387 -5.980 480 HA2 GLY 74 2HA GLY 74 14.064 11.473 -4.460 481 HA3 GLY 74 3HA GLY 74 14.968 10.201 -5.270 482 HA PRO 75 HA PRO 75 14.678 13.774 -8.185 483 HB3 PRO 75 2HB PRO 75 16.761 14.515 -7.562 484 HG3 PRO 75 2HG PRO 75 18.312 13.069 -6.607 485 HD3 PRO 75 2HD PRO 75 16.477 12.605 -5.292 486 H LYS 76 H LYS 76 15.202 10.449 -8.358 487 HA LYS 76 HA LYS 76 15.314 10.469 -11.295 488 HB3 LYS 76 2HB LYS 76 17.044 9.141 -10.139 489 HG3 LYS 76 2HG LYS 76 15.024 7.102 -9.362 490 HD3 LYS 76 2HD LYS 76 17.847 7.498 -9.139 491 HE3 LYS 76 2HE LYS 76 16.298 7.591 -6.600 492 HZ1 LYS 76 3HZ LYS 76 18.410 6.676 -5.536 493 HZ2 LYS 76 1HZ LYS 76 18.727 5.974 -7.044 494 HZ3 LYS 76 2HZ LYS 76 17.322 5.562 -6.197 495 H GLY 77 H GLY 77 13.099 10.353 -8.862 496 HA2 GLY 77 2HA GLY 77 10.765 10.184 -9.714 497 HA3 GLY 77 3HA GLY 77 11.265 8.675 -10.462 498 H VAL 78 H VAL 78 9.621 7.547 -9.357 499 HA VAL 78 HA VAL 78 10.274 7.020 -6.535 500 HB VAL 78 HB VAL 78 8.264 8.395 -6.568 501 HG11 VAL 78 1HG1 VAL 78 6.959 6.226 -8.202 502 HG12 VAL 78 2HG1 VAL 78 6.260 7.767 -7.702 503 HG13 VAL 78 3HG1 VAL 78 7.572 7.734 -8.881 504 HG21 VAL 78 3HG2 VAL 78 8.507 6.563 -4.907 505 HG22 VAL 78 1HG2 VAL 78 6.828 6.976 -5.260 506 HG23 VAL 78 2HG2 VAL 78 7.547 5.528 -5.964 507 H LYS 79 H LYS 79 10.643 4.945 -6.127 508 HA LYS 79 HA LYS 79 9.307 2.892 -7.730 509 HB3 LYS 79 2HB LYS 79 11.665 3.471 -8.603 510 HG3 LYS 79 2HG LYS 79 12.481 1.740 -6.282 511 HD3 LYS 79 2HD LYS 79 13.817 2.797 -8.714 512 HE3 LYS 79 2HE LYS 79 15.567 2.131 -6.416 513 HZ1 LYS 79 3HZ LYS 79 15.738 3.501 -8.947 514 HZ2 LYS 79 1HZ LYS 79 16.936 2.686 -8.074 515 HZ3 LYS 79 2HZ LYS 79 16.554 4.288 -7.691 516 H ILE 80 H ILE 80 8.832 1.038 -6.632 517 HA ILE 80 HA ILE 80 8.865 1.145 -3.789 518 HB ILE 80 HB ILE 80 8.196 -1.182 -5.595 519 HG13 ILE 80 2HG1 ILE 80 6.786 0.781 -6.019 520 HG21 ILE 80 1HG2 ILE 80 8.698 -1.906 -3.332 521 HG22 ILE 80 2HG2 ILE 80 7.577 -0.711 -2.682 522 HG23 ILE 80 3HG2 ILE 80 6.970 -2.052 -3.653 523 HD11 ILE 80 3HD1 ILE 80 5.671 -1.391 -6.103 524 HD12 ILE 80 1HD1 ILE 80 5.289 -1.255 -4.386 525 HD13 ILE 80 2HD1 ILE 80 4.591 -0.116 -5.539 526 H LYS 81 H LYS 81 10.524 0.685 -2.520 527 HA LYS 81 HA LYS 81 12.784 -0.822 -3.511 528 HB3 LYS 81 2HB LYS 81 12.244 0.517 -0.856 529 HG3 LYS 81 2HG LYS 81 13.834 -1.351 -0.578 530 HD3 LYS 81 2HD LYS 81 15.687 0.198 -2.370 531 HE3 LYS 81 2HE LYS 81 16.134 -2.633 -2.132 532 HZ1 LYS 81 3HZ LYS 81 17.890 -1.206 -2.743 533 HZ2 LYS 81 1HZ LYS 81 18.282 -1.777 -1.200 534 HZ3 LYS 81 2HZ LYS 81 17.673 -0.211 -1.393 535 H GLY 82 H GLY 82 12.929 -2.957 -3.376 536 HA2 GLY 82 2HA GLY 82 13.002 -4.702 -1.474 537 HA3 GLY 82 3HA GLY 82 11.282 -4.355 -1.377 538 H CYS 83 H CYS 83 11.807 -3.986 -4.514 539 HA CYS 83 HA CYS 83 11.341 -6.835 -5.101 540 HB3 CYS 83 2HB CYS 83 9.877 -6.202 -6.874 541 HG CYS 83 HG CYS 83 8.688 -6.086 -4.247 542 HA PRO 84 HA PRO 84 14.841 -6.881 -7.749 543 HB3 PRO 84 2HB PRO 84 14.480 -9.139 -7.979 544 HG3 PRO 84 2HG PRO 84 12.324 -10.004 -8.087 545 HD3 PRO 84 2HD PRO 84 12.128 -8.682 -6.209 546 H SER 85 H SER 85 11.690 -6.465 -9.308 547 HA SER 85 HA SER 85 12.459 -5.694 -11.839 548 HB3 SER 85 2HB SER 85 10.266 -4.101 -10.643 549 HG SER 85 HG SER 85 9.999 -4.161 -12.739 550 H GLU 86 H GLU 86 12.080 -3.626 -8.971 551 HA GLU 86 HA GLU 86 12.931 -1.584 -8.444 552 HB3 GLU 86 2HB GLU 86 15.017 -1.017 -10.101 553 HG3 GLU 86 2HG GLU 86 15.279 -3.052 -7.909 554 HA PRO 87 HA PRO 87 10.613 0.264 -12.007 555 HB3 PRO 87 2HB PRO 87 8.598 -0.142 -10.982 556 HG3 PRO 87 2HG PRO 87 8.458 -0.426 -8.678 557 HD3 PRO 87 2HD PRO 87 10.171 -1.892 -9.156 558 H TYR 88 H TYR 88 9.562 2.772 -11.578 559 HA TYR 88 HA TYR 88 10.983 4.625 -10.133 560 HB3 TYR 88 2HB TYR 88 13.056 4.228 -11.067 561 HD1 TYR 88 2HD TYR 88 10.649 4.053 -13.914 562 HD2 TYR 88 1HD TYR 88 14.430 2.873 -12.357 563 HE1 TYR 88 2HE TYR 88 10.983 2.579 -15.855 564 HE2 TYR 88 1HE TYR 88 14.774 1.397 -14.294 565 HH TYR 88 HH TYR 88 12.256 0.966 -16.745 566 H PHE 89 H PHE 89 8.469 4.697 -10.653 567 HA PHE 89 HA PHE 89 7.673 5.974 -13.060 568 HB3 PHE 89 2HB PHE 89 5.530 6.333 -11.933 569 HD1 PHE 89 1HD PHE 89 6.909 3.605 -9.900 570 HD2 PHE 89 2HD PHE 89 4.900 4.649 -13.505 571 HE1 PHE 89 1HE PHE 89 6.350 1.238 -10.269 572 HE2 PHE 89 2HE PHE 89 4.337 2.283 -13.879 573 HZ PHE 89 HZ PHE 89 5.061 0.575 -12.261 574 H GLY 90 H GLY 90 6.104 8.096 -12.343 575 HA2 GLY 90 2HA GLY 90 8.127 10.138 -11.895 576 HA3 GLY 90 3HA GLY 90 6.479 10.405 -12.441 577 H SER 91 H SER 91 4.861 9.508 -10.603 578 HA SER 91 HA SER 91 5.788 10.457 -7.990 579 HB3 SER 91 2HB SER 91 4.744 12.404 -9.006 580 HG SER 91 HG SER 91 2.441 10.774 -9.327 581 H LEU 92 H LEU 92 3.879 10.135 -6.347 582 HA LEU 92 HA LEU 92 3.436 7.413 -6.070 583 HB3 LEU 92 2HB LEU 92 1.470 8.289 -4.551 584 HG LEU 92 HG LEU 92 4.317 9.033 -3.878 585 HD11 LEU 92 1HD1 LEU 92 3.024 8.394 -1.553 586 HD12 LEU 92 2HD1 LEU 92 1.787 9.278 -2.445 587 HD13 LEU 92 3HD1 LEU 92 3.350 10.029 -2.128 588 HD21 LEU 92 3HD2 LEU 92 4.450 6.761 -4.206 589 HD22 LEU 92 1HD2 LEU 92 2.771 6.485 -3.741 590 HD23 LEU 92 2HD2 LEU 92 3.983 6.831 -2.506 591 H SER 93 H SER 93 1.431 9.875 -7.587 592 HA SER 93 HA SER 93 -0.859 8.230 -7.943 593 HB3 SER 93 2HB SER 93 -1.499 9.995 -9.645 594 HG SER 93 HG SER 93 -2.268 10.816 -7.881 595 H ALA 94 H ALA 94 2.016 8.869 -9.850 596 HA ALA 94 HA ALA 94 1.134 7.675 -12.257 597 HB1 ALA 94 1HB ALA 94 4.015 7.668 -11.474 598 HB2 ALA 94 2HB ALA 94 3.276 7.989 -13.044 599 HB3 ALA 94 3HB ALA 94 3.193 9.201 -11.766 600 H LEU 95 H LEU 95 3.006 6.416 -9.513 601 HA LEU 95 HA LEU 95 3.295 3.804 -10.622 602 HB3 LEU 95 2HB LEU 95 4.898 4.555 -9.024 603 HG LEU 95 HG LEU 95 3.166 5.966 -7.658 604 HD11 LEU 95 1HD1 LEU 95 3.048 4.389 -5.427 605 HD12 LEU 95 2HD1 LEU 95 2.703 3.241 -6.721 606 HD13 LEU 95 3HD1 LEU 95 1.713 4.689 -6.541 607 HD21 LEU 95 3HD2 LEU 95 4.885 5.059 -5.622 608 HD22 LEU 95 1HD2 LEU 95 5.086 6.467 -6.667 609 HD23 LEU 95 2HD2 LEU 95 5.776 4.914 -7.139 610 H VAL 96 H VAL 96 0.926 5.376 -8.593 611 HA VAL 96 HA VAL 96 -0.376 3.030 -7.668 612 HB VAL 96 HB VAL 96 -1.104 5.925 -7.781 613 HG11 VAL 96 1HG1 VAL 96 -3.203 5.107 -8.355 614 HG12 VAL 96 2HG1 VAL 96 -3.003 3.641 -7.392 615 HG13 VAL 96 3HG1 VAL 96 -3.273 5.191 -6.595 616 HG21 VAL 96 3HG2 VAL 96 -1.615 4.686 -5.287 617 HG22 VAL 96 1HG2 VAL 96 -0.057 4.096 -5.868 618 HG23 VAL 96 2HG2 VAL 96 -0.338 5.829 -5.698 619 H SER 97 H SER 97 -0.917 5.183 -10.424 620 HA SER 97 HA SER 97 -3.271 3.853 -11.323 621 HB3 SER 97 2HB SER 97 -1.714 5.292 -13.361 622 HG SER 97 HG SER 97 -4.001 4.816 -13.425 623 H GLN 98 H GLN 98 0.157 3.624 -12.122 624 HA GLN 98 HA GLN 98 -0.206 1.792 -14.281 625 HB3 GLN 98 2HB GLN 98 2.276 1.433 -14.006 626 HG3 GLN 98 2HG GLN 98 2.960 3.727 -14.588 627 HE21 GLN 98 1HE2 GLN 98 3.277 2.569 -16.466 628 HE22 GLN 98 2HE2 GLN 98 2.079 2.454 -17.704 629 H HIS 99 H HIS 99 0.210 1.497 -10.834 630 HA HIS 99 HA HIS 99 0.825 -1.306 -10.869 631 HB3 HIS 99 2HB HIS 99 0.128 -1.008 -8.352 632 HD1 HIS 99 1HD HIS 99 2.720 -0.261 -10.806 633 HD2 HIS 99 2HD HIS 99 2.400 -0.299 -6.664 634 HE1 HIS 99 1HE HIS 99 5.084 -0.276 -9.949 635 H SER 100 H SER 100 -1.940 0.355 -11.554 636 HA SER 100 HA SER 100 -3.768 -1.572 -10.344 637 HB3 SER 100 2HB SER 100 -3.996 1.128 -10.851 638 HG SER 100 HG SER 100 -5.993 0.776 -12.366 639 H ILE 101 H ILE 101 -1.978 -1.283 -13.139 640 HA ILE 101 HA ILE 101 -3.745 -3.176 -14.531 641 HB ILE 101 HB ILE 101 -2.213 -0.934 -15.853 642 HG13 ILE 101 2HG1 ILE 101 -4.370 -0.376 -14.594 643 HG21 ILE 101 1HG2 ILE 101 -2.248 -2.229 -17.661 644 HG22 ILE 101 2HG2 ILE 101 -3.250 -3.434 -16.853 645 HG23 ILE 101 3HG2 ILE 101 -4.003 -2.059 -17.662 646 HD11 ILE 101 3HD1 ILE 101 -3.380 0.791 -16.762 647 HD12 ILE 101 1HD1 ILE 101 -4.896 0.202 -17.444 648 HD13 ILE 101 2HD1 ILE 101 -4.915 1.272 -16.042 649 H SER 102 H SER 102 -0.487 -1.946 -14.021 650 HA SER 102 HA SER 102 0.585 -4.450 -15.143 651 HB3 SER 102 2HB SER 102 2.546 -3.316 -15.775 652 HG SER 102 HG SER 102 0.534 -1.332 -16.039 653 HA PRO 103 HA PRO 103 1.258 -4.688 -10.571 654 HB3 PRO 103 2HB PRO 103 -0.566 -6.064 -10.330 655 HG3 PRO 103 2HG PRO 103 -1.373 -7.312 -12.118 656 HD3 PRO 103 2HD PRO 103 -1.234 -5.238 -13.113 657 H ILE 104 H ILE 104 3.351 -4.781 -10.070 658 HA ILE 104 HA ILE 104 5.110 -6.618 -11.513 659 HB ILE 104 HB ILE 104 5.777 -4.381 -9.597 660 HG13 ILE 104 2HG1 ILE 104 4.825 -4.015 -12.051 661 HG21 ILE 104 1HG2 ILE 104 8.094 -4.702 -10.355 662 HG22 ILE 104 2HG2 ILE 104 7.464 -6.120 -9.519 663 HG23 ILE 104 3HG2 ILE 104 7.583 -6.115 -11.278 664 HD11 ILE 104 3HD1 ILE 104 7.026 -2.561 -10.673 665 HD12 ILE 104 1HD1 ILE 104 6.561 -2.092 -12.308 666 HD13 ILE 104 2HD1 ILE 104 5.371 -2.051 -11.006 667 H SER 105 H SER 105 4.459 -5.649 -8.143 668 HA SER 105 HA SER 105 5.172 -8.383 -7.321 669 HB3 SER 105 2HB SER 105 5.871 -5.853 -5.810 670 HG SER 105 HG SER 105 5.996 -7.258 -4.247 671 H LEU 106 H LEU 106 2.599 -6.929 -7.836 672 HA LEU 106 HA LEU 106 1.415 -6.968 -5.155 673 HB3 LEU 106 2HB LEU 106 -0.065 -5.442 -5.862 674 HG LEU 106 HG LEU 106 1.772 -5.223 -8.245 675 HD11 LEU 106 1HD1 LEU 106 0.434 -3.668 -9.081 676 HD12 LEU 106 2HD1 LEU 106 0.441 -2.794 -7.550 677 HD13 LEU 106 3HD1 LEU 106 -0.757 -4.055 -7.840 678 HD21 LEU 106 3HD2 LEU 106 1.807 -4.167 -5.471 679 HD22 LEU 106 1HD2 LEU 106 2.345 -3.097 -6.766 680 HD23 LEU 106 2HD2 LEU 106 3.142 -4.651 -6.518 681 HA PRO 107 HA PRO 107 -0.764 -10.730 -5.739 682 HB3 PRO 107 2HB PRO 107 -1.735 -10.386 -3.686 683 HG3 PRO 107 2HG PRO 107 -2.389 -8.260 -3.010 684 HD3 PRO 107 2HD PRO 107 -0.234 -7.813 -3.696 685 H CYS 108 H CYS 108 -2.574 -7.848 -6.738 686 HA CYS 108 HA CYS 108 -3.136 -8.866 -9.307 687 HB3 CYS 108 2HB CYS 108 -5.668 -8.645 -7.735 688 HG CYS 108 HG CYS 108 -4.772 -10.447 -10.499 689 H CYS 109 H CYS 109 -2.031 -6.570 -8.819 690 HA CYS 109 HA CYS 109 -2.131 -4.339 -9.247 691 HB3 CYS 109 2HB CYS 109 -3.780 -3.535 -10.710 692 HG CYS 109 HG CYS 109 -4.722 -6.325 -11.995 693 H LEU 110 H LEU 110 -2.918 -2.347 -8.378 694 HA LEU 110 HA LEU 110 -4.325 -2.733 -5.844 695 HB3 LEU 110 2HB LEU 110 -3.189 -0.948 -5.021 696 HG LEU 110 HG LEU 110 -1.415 -1.706 -7.335 697 HD11 LEU 110 1HD1 LEU 110 -0.958 0.602 -6.593 698 HD12 LEU 110 2HD1 LEU 110 0.368 -0.506 -6.241 699 HD13 LEU 110 3HD1 LEU 110 -0.722 0.004 -4.952 700 HD21 LEU 110 3HD2 LEU 110 -0.123 -2.800 -5.504 701 HD22 LEU 110 1HD2 LEU 110 -1.720 -3.497 -5.778 702 HD23 LEU 110 2HD2 LEU 110 -1.451 -2.421 -4.407 703 H ARG 111 H ARG 111 -6.360 -2.103 -5.563 704 HA ARG 111 HA ARG 111 -7.786 -0.826 -7.712 705 HB3 ARG 111 2HB ARG 111 -9.762 -1.140 -6.317 706 HG3 ARG 111 2HG ARG 111 -9.769 -3.525 -6.009 707 HD3 ARG 111 2HD ARG 111 -7.929 -3.196 -8.332 708 HE ARG 111 HE ARG 111 -9.008 -5.155 -8.756 709 HH11 ARG 111 1HH1 ARG 111 -11.289 -2.917 -7.377 710 HH12 ARG 111 2HH1 ARG 111 -12.646 -3.978 -7.569 711 HH21 ARG 111 1HH2 ARG 111 -10.786 -6.562 -9.014 712 HH22 ARG 111 2HH2 ARG 111 -12.358 -6.052 -8.499 713 H ILE 112 H ILE 112 -8.350 1.257 -7.894 714 HA ILE 112 HA ILE 112 -7.695 3.047 -5.648 715 HB ILE 112 HB ILE 112 -7.850 3.841 -8.552 716 HG13 ILE 112 2HG1 ILE 112 -5.643 2.630 -6.971 717 HG21 ILE 112 1HG2 ILE 112 -7.259 5.215 -6.010 718 HG22 ILE 112 2HG2 ILE 112 -6.220 5.623 -7.375 719 HG23 ILE 112 3HG2 ILE 112 -7.966 5.837 -7.501 720 HD11 ILE 112 3HD1 ILE 112 -6.364 2.703 -9.884 721 HD12 ILE 112 1HD1 ILE 112 -4.865 2.006 -9.270 722 HD13 ILE 112 2HD1 ILE 112 -6.419 1.327 -8.783 723 HA PRO 113 HA PRO 113 -12.296 3.237 -6.238 724 HB3 PRO 113 2HB PRO 113 -12.645 1.716 -4.551 725 HG3 PRO 113 2HG PRO 113 -11.043 1.363 -2.903 726 HD3 PRO 113 2HD PRO 113 -9.724 1.175 -4.785 727 H SER 114 H SER 114 -11.776 5.415 -6.983 728 HA SER 114 HA SER 114 -11.551 7.475 -4.936 729 HB3 SER 114 2HB SER 114 -11.890 8.395 -7.693 730 HG SER 114 HG SER 114 -9.795 9.328 -7.109 731 H LYS 115 H LYS 115 -13.943 5.965 -6.866 732 HA LYS 115 HA LYS 115 -15.918 7.943 -5.950 733 HB3 LYS 115 2HB LYS 115 -16.538 6.574 -8.487 734 HG3 LYS 115 2HG LYS 115 -16.546 9.525 -7.986 735 HD3 LYS 115 2HD LYS 115 -18.732 9.084 -9.382 736 HE3 LYS 115 2HE LYS 115 -16.861 8.819 -11.407 737 HZ1 LYS 115 3HZ LYS 115 -17.011 11.220 -11.539 738 HZ2 LYS 115 1HZ LYS 115 -17.660 11.298 -9.979 739 HZ3 LYS 115 2HZ LYS 115 -18.535 10.559 -11.222 Start of MODEL 19 1 H1 MET 1 H MET 1 -16.910 3.456 -0.505 2 HA MET 1 HA MET 1 -17.035 5.433 -2.148 3 HB3 MET 1 2HB MET 1 -18.586 6.826 -0.059 4 HG3 MET 1 2HG MET 1 -18.000 7.133 -2.848 5 HE1 MET 1 3HE MET 1 -20.908 8.330 -4.958 6 HE2 MET 1 1HE MET 1 -19.289 8.732 -4.383 7 HE3 MET 1 2HE MET 1 -19.582 7.189 -5.187 8 H ASP 2 H ASP 2 -15.098 6.295 -1.855 9 HA ASP 2 HA ASP 2 -14.394 7.712 0.517 10 HB3 ASP 2 2HB ASP 2 -13.855 5.680 1.543 11 H THR 3 H THR 3 -12.383 8.840 0.320 12 HA THR 3 HA THR 3 -11.375 8.931 -2.450 13 HB THR 3 HB THR 3 -10.885 11.310 -2.113 14 HG1 THR 3 1HG THR 3 -12.065 10.845 0.437 15 HG21 THR 3 3HG2 THR 3 -13.721 11.154 -1.264 16 HG22 THR 3 1HG2 THR 3 -13.273 10.268 -2.721 17 HG23 THR 3 2HG2 THR 3 -12.991 12.007 -2.624 18 H SER 4 H SER 4 -9.138 10.030 -2.528 19 HA SER 4 HA SER 4 -7.296 8.395 -1.211 20 HB3 SER 4 2HB SER 4 -6.576 9.398 -3.228 21 HG SER 4 HG SER 4 -6.362 11.844 -3.137 22 H LYS 5 H LYS 5 -8.694 11.460 -0.315 23 HA LYS 5 HA LYS 5 -6.831 12.182 1.686 24 HB3 LYS 5 2HB LYS 5 -8.649 13.660 2.520 25 HG3 LYS 5 2HG LYS 5 -9.027 14.109 -0.329 26 HD3 LYS 5 2HD LYS 5 -7.906 16.240 0.249 27 HE3 LYS 5 2HE LYS 5 -10.378 15.261 1.243 28 HZ1 LYS 5 3HZ LYS 5 -9.297 17.355 3.024 29 HZ2 LYS 5 1HZ LYS 5 -9.205 15.718 3.441 30 HZ3 LYS 5 2HZ LYS 5 -10.713 16.446 3.200 31 H PHE 6 H PHE 6 -9.485 9.952 1.616 32 HA PHE 6 HA PHE 6 -9.564 9.698 4.510 33 HB3 PHE 6 2HB PHE 6 -11.086 7.640 3.339 34 HD1 PHE 6 1HD PHE 6 -12.253 11.132 3.301 35 HD2 PHE 6 2HD PHE 6 -12.016 7.504 5.514 36 HE1 PHE 6 1HE PHE 6 -13.875 12.020 4.926 37 HE2 PHE 6 2HE PHE 6 -13.638 8.385 7.141 38 HZ PHE 6 HZ PHE 6 -14.570 10.646 6.847 39 H TRP 7 H TRP 7 -8.140 8.152 1.768 40 HA TRP 7 HA TRP 7 -7.424 5.783 3.322 41 HB3 TRP 7 2HB TRP 7 -6.363 5.110 1.068 42 HD1 TRP 7 HD TRP 7 -9.699 5.630 2.674 43 HE1 TRP 7 1HE TRP 7 -11.371 3.877 1.807 44 HE3 TRP 7 3HE TRP 7 -6.960 3.751 -1.212 45 HZ2 TRP 7 2HZ TRP 7 -11.510 1.950 -0.251 46 HZ3 TRP 7 3HZ TRP 7 -7.934 1.953 -2.580 47 HH2 TRP 7 HH TRP 7 -10.162 1.072 -2.108 48 H TYR 8 H TYR 8 -6.232 8.818 2.843 49 HA TYR 8 HA TYR 8 -3.433 7.932 3.083 50 HB3 TYR 8 2HB TYR 8 -4.606 10.521 2.060 51 HD1 TYR 8 2HD TYR 8 -1.260 9.181 1.387 52 HD2 TYR 8 1HD TYR 8 -3.497 12.117 3.503 53 HE1 TYR 8 2HE TYR 8 0.816 10.408 1.868 54 HE2 TYR 8 1HE TYR 8 -1.426 13.353 3.989 55 HH TYR 8 HH TYR 8 0.795 13.585 3.255 56 H LYS 9 H LYS 9 -2.849 7.857 5.149 57 HA LYS 9 HA LYS 9 -3.338 10.207 6.824 58 HB3 LYS 9 2HB LYS 9 -3.745 8.554 8.760 59 HG3 LYS 9 2HG LYS 9 -5.835 8.879 6.616 60 HD3 LYS 9 2HD LYS 9 -6.397 8.407 9.520 61 HE3 LYS 9 2HE LYS 9 -8.521 7.576 8.633 62 HZ1 LYS 9 3HZ LYS 9 -8.128 10.125 7.230 63 HZ2 LYS 9 1HZ LYS 9 -7.964 10.086 8.914 64 HZ3 LYS 9 2HZ LYS 9 -9.421 9.617 8.196 65 HA PRO 10 HA PRO 10 1.048 9.357 7.271 66 HB3 PRO 10 2HB PRO 10 1.395 11.573 6.771 67 HG3 PRO 10 2HG PRO 10 -0.212 13.180 7.263 68 HD3 PRO 10 2HD PRO 10 -1.523 11.629 6.174 69 H HIS 11 H HIS 11 -1.108 10.525 9.824 70 HA HIS 11 HA HIS 11 0.630 9.772 11.965 71 HB3 HIS 11 2HB HIS 11 -2.350 10.245 12.119 72 HD1 HIS 11 1HD HIS 11 0.918 10.329 14.031 73 HD2 HIS 11 2HD HIS 11 -3.178 10.441 14.714 74 HE1 HIS 11 1HE HIS 11 0.649 10.182 16.527 75 H LEU 12 H LEU 12 -1.222 7.986 9.852 76 HA LEU 12 HA LEU 12 -2.147 5.959 11.660 77 HB3 LEU 12 2HB LEU 12 -1.772 5.454 8.747 78 HG LEU 12 HG LEU 12 -2.936 3.731 10.049 79 HD11 LEU 12 1HD1 LEU 12 -4.368 6.057 11.065 80 HD12 LEU 12 2HD1 LEU 12 -4.167 4.451 11.765 81 HD13 LEU 12 3HD1 LEU 12 -5.431 4.739 10.568 82 HD21 LEU 12 3HD2 LEU 12 -3.712 4.849 7.644 83 HD22 LEU 12 1HD2 LEU 12 -5.219 4.712 8.549 84 HD23 LEU 12 2HD2 LEU 12 -4.217 3.284 8.282 85 H SER 13 H SER 13 -1.263 3.979 12.100 86 HA SER 13 HA SER 13 1.577 3.696 11.462 87 HB3 SER 13 2HB SER 13 1.792 2.825 13.521 88 HG SER 13 HG SER 13 0.401 3.733 14.802 89 H ARG 14 H ARG 14 2.424 1.560 10.907 90 HA ARG 14 HA ARG 14 1.226 0.468 8.653 91 HB3 ARG 14 2HB ARG 14 3.566 0.145 9.011 92 HG3 ARG 14 2HG ARG 14 2.965 -1.628 11.362 93 HD3 ARG 14 2HD ARG 14 5.096 -1.781 9.821 94 HE ARG 14 HE ARG 14 5.502 0.775 10.650 95 HH11 ARG 14 1HH1 ARG 14 7.174 -2.237 11.151 96 HH12 ARG 14 2HH1 ARG 14 8.733 -1.496 11.303 97 HH21 ARG 14 1HH2 ARG 14 7.549 1.761 10.847 98 HH22 ARG 14 2HH2 ARG 14 8.945 0.778 11.131 99 H ASP 15 H ASP 15 1.237 -0.767 11.986 100 HA ASP 15 HA ASP 15 -0.201 -3.111 11.547 101 HB3 ASP 15 2HB ASP 15 -0.631 -1.535 14.055 102 H GLN 16 H GLN 16 -1.350 0.168 12.215 103 HA GLN 16 HA GLN 16 -4.083 -0.453 12.439 104 HB3 GLN 16 2HB GLN 16 -4.252 2.053 11.601 105 HG3 GLN 16 2HG GLN 16 -2.850 2.346 14.046 106 HE21 GLN 16 1HE2 GLN 16 -6.098 1.065 13.538 107 HE22 GLN 16 2HE2 GLN 16 -6.931 2.523 13.941 108 H ALA 17 H ALA 17 -2.085 0.418 9.657 109 HA ALA 17 HA ALA 17 -4.173 0.615 7.774 110 HB1 ALA 17 1HB ALA 17 -1.811 1.446 7.504 111 HB2 ALA 17 2HB ALA 17 -1.348 -0.221 7.162 112 HB3 ALA 17 3HB ALA 17 -2.490 0.612 6.106 113 H ILE 18 H ILE 18 -2.164 -2.100 8.817 114 HA ILE 18 HA ILE 18 -3.091 -3.956 6.900 115 HB ILE 18 HB ILE 18 -1.977 -4.478 9.659 116 HG13 ILE 18 2HG1 ILE 18 -0.700 -3.270 7.579 117 HG21 ILE 18 1HG2 ILE 18 -3.131 -6.243 7.742 118 HG22 ILE 18 2HG2 ILE 18 -1.403 -6.576 7.855 119 HG23 ILE 18 3HG2 ILE 18 -2.408 -6.625 9.304 120 HD11 ILE 18 3HD1 ILE 18 0.068 -4.385 10.028 121 HD12 ILE 18 1HD1 ILE 18 1.204 -4.998 8.827 122 HD13 ILE 18 2HD1 ILE 18 0.975 -3.260 9.018 123 H ALA 19 H ALA 19 -4.163 -3.168 10.178 124 HA ALA 19 HA ALA 19 -6.114 -5.210 10.370 125 HB1 ALA 19 1HB ALA 19 -5.150 -3.087 11.999 126 HB2 ALA 19 2HB ALA 19 -6.911 -3.002 11.951 127 HB3 ALA 19 3HB ALA 19 -6.114 -4.489 12.466 128 H LEU 20 H LEU 20 -6.195 -1.899 9.171 129 HA LEU 20 HA LEU 20 -9.029 -1.792 8.857 130 HB3 LEU 20 2HB LEU 20 -7.018 -0.137 7.356 131 HG LEU 20 HG LEU 20 -9.583 0.135 6.996 132 HD11 LEU 20 1HD1 LEU 20 -10.397 0.205 9.195 133 HD12 LEU 20 2HD1 LEU 20 -10.453 1.876 8.634 134 HD13 LEU 20 3HD1 LEU 20 -9.158 1.350 9.709 135 HD21 LEU 20 3HD2 LEU 20 -8.385 1.741 5.923 136 HD22 LEU 20 1HD2 LEU 20 -7.460 2.173 7.362 137 HD23 LEU 20 2HD2 LEU 20 -9.117 2.748 7.172 138 H LEU 21 H LEU 21 -6.359 -2.841 6.866 139 HA LEU 21 HA LEU 21 -7.869 -2.966 4.432 140 HB3 LEU 21 2HB LEU 21 -5.851 -4.470 3.779 141 HG LEU 21 HG LEU 21 -5.297 -1.595 4.512 142 HD11 LEU 21 1HD1 LEU 21 -3.441 -1.685 3.081 143 HD12 LEU 21 2HD1 LEU 21 -3.920 -3.245 2.415 144 HD13 LEU 21 3HD1 LEU 21 -3.324 -3.140 4.072 145 HD21 LEU 21 3HD2 LEU 21 -6.989 -1.335 3.012 146 HD22 LEU 21 1HD2 LEU 21 -6.701 -2.897 2.247 147 HD23 LEU 21 2HD2 LEU 21 -5.648 -1.530 1.881 148 H LYS 22 H LYS 22 -6.985 -5.221 6.984 149 HA LYS 22 HA LYS 22 -8.092 -7.502 5.618 150 HB3 LYS 22 2HB LYS 22 -6.181 -7.566 7.288 151 HG3 LYS 22 2HG LYS 22 -8.415 -7.472 9.304 152 HD3 LYS 22 2HD LYS 22 -5.428 -7.650 9.691 153 HE3 LYS 22 2HE LYS 22 -7.276 -8.409 11.838 154 HZ1 LYS 22 3HZ LYS 22 -5.604 -6.630 12.864 155 HZ2 LYS 22 1HZ LYS 22 -4.694 -7.110 11.521 156 HZ3 LYS 22 2HZ LYS 22 -5.196 -8.258 12.655 157 H ASP 23 H ASP 23 -9.493 -4.906 7.025 158 HA ASP 23 HA ASP 23 -11.777 -6.444 8.065 159 HB3 ASP 23 2HB ASP 23 -11.138 -3.527 8.537 160 H LYS 24 H LYS 24 -10.727 -4.654 5.433 161 HA LYS 24 HA LYS 24 -13.491 -3.999 4.646 162 HB3 LYS 24 2HB LYS 24 -11.988 -2.047 4.809 163 HG3 LYS 24 2HG LYS 24 -10.434 -3.393 2.607 164 HD3 LYS 24 2HD LYS 24 -10.720 -0.992 2.200 165 HE3 LYS 24 2HE LYS 24 -9.123 0.088 4.271 166 HZ1 LYS 24 3HZ LYS 24 -11.322 0.795 2.853 167 HZ2 LYS 24 1HZ LYS 24 -10.640 1.693 4.115 168 HZ3 LYS 24 2HZ LYS 24 -11.934 0.650 4.424 169 H ASP 25 H ASP 25 -13.221 -3.689 1.969 170 HA ASP 25 HA ASP 25 -13.159 -6.390 1.053 171 HB3 ASP 25 2HB ASP 25 -14.743 -4.986 -0.001 172 HA PRO 26 HA PRO 26 -9.021 -6.830 -0.335 173 HB3 PRO 26 2HB PRO 26 -9.570 -8.977 -0.939 174 HG3 PRO 26 2HG PRO 26 -11.653 -9.472 -1.849 175 HD3 PRO 26 2HD PRO 26 -12.306 -8.266 0.003 176 H GLY 27 H GLY 27 -7.497 -6.130 -1.879 177 HA2 GLY 27 2HA GLY 27 -6.790 -5.077 -3.860 178 HA3 GLY 27 3HA GLY 27 -8.466 -4.697 -4.229 179 H ALA 28 H ALA 28 -8.625 -3.732 -1.299 180 HA ALA 28 HA ALA 28 -8.215 -0.979 -1.891 181 HB1 ALA 28 1HB ALA 28 -8.954 -2.450 0.625 182 HB2 ALA 28 2HB ALA 28 -8.754 -0.697 0.575 183 HB3 ALA 28 3HB ALA 28 -9.986 -1.474 -0.421 184 H PHE 29 H PHE 29 -6.752 0.483 -0.951 185 HA PHE 29 HA PHE 29 -4.434 -0.682 0.420 186 HB3 PHE 29 2HB PHE 29 -3.971 -0.439 -2.039 187 HD1 PHE 29 2HD PHE 29 -2.975 2.887 -0.866 188 HD2 PHE 29 1HD PHE 29 -5.490 0.694 -3.508 189 HE1 PHE 29 2HE PHE 29 -3.482 4.956 -2.095 190 HE2 PHE 29 1HE PHE 29 -6.000 2.760 -4.744 191 HZ PHE 29 HZ PHE 29 -4.996 4.894 -4.037 192 H LEU 30 H LEU 30 -2.989 1.072 1.325 193 HA LEU 30 HA LEU 30 -4.339 3.583 1.899 194 HB3 LEU 30 2HB LEU 30 -3.555 1.605 4.034 195 HG LEU 30 HG LEU 30 -3.864 4.492 4.268 196 HD11 LEU 30 1HD1 LEU 30 -5.333 2.930 6.346 197 HD12 LEU 30 2HD1 LEU 30 -6.171 3.478 4.896 198 HD13 LEU 30 3HD1 LEU 30 -5.411 4.650 5.971 199 HD21 LEU 30 3HD2 LEU 30 -3.224 2.802 6.593 200 HD22 LEU 30 1HD2 LEU 30 -2.379 4.205 5.938 201 HD23 LEU 30 2HD2 LEU 30 -2.159 2.620 5.198 202 H ILE 31 H ILE 31 -2.955 5.221 2.626 203 HA ILE 31 HA ILE 31 -0.089 4.583 2.375 204 HB ILE 31 HB ILE 31 -1.460 7.215 1.812 205 HG13 ILE 31 2HG1 ILE 31 -1.904 5.363 0.166 206 HG21 ILE 31 1HG2 ILE 31 1.398 6.347 1.816 207 HG22 ILE 31 2HG2 ILE 31 0.863 7.623 0.725 208 HG23 ILE 31 3HG2 ILE 31 0.673 7.816 2.467 209 HD11 ILE 31 3HD1 ILE 31 -0.323 6.952 -1.591 210 HD12 ILE 31 1HD1 ILE 31 -2.074 6.921 -1.389 211 HD13 ILE 31 2HD1 ILE 31 -1.090 7.993 -0.393 212 H ARG 32 H ARG 32 1.309 5.229 3.935 213 HA ARG 32 HA ARG 32 0.300 6.930 6.101 214 HB3 ARG 32 2HB ARG 32 0.003 4.682 6.919 215 HG3 ARG 32 2HG ARG 32 1.963 3.832 5.336 216 HD3 ARG 32 2HD ARG 32 3.747 4.910 6.599 217 HE ARG 32 HE ARG 32 2.422 4.208 8.889 218 HH11 ARG 32 1HH1 ARG 32 5.635 3.740 7.634 219 HH12 ARG 32 2HH1 ARG 32 6.383 3.716 9.197 220 HH21 ARG 32 1HH2 ARG 32 3.394 4.179 10.952 221 HH22 ARG 32 2HH2 ARG 32 5.107 3.965 11.083 222 H ASP 33 H ASP 33 2.072 7.715 7.527 223 HA ASP 33 HA ASP 33 4.212 8.736 5.931 224 HB3 ASP 33 2HB ASP 33 3.775 8.919 8.920 225 H SER 34 H SER 34 6.059 7.749 5.499 226 HA SER 34 HA SER 34 6.901 5.493 7.157 227 HB3 SER 34 2HB SER 34 8.375 6.270 4.679 228 HG SER 34 HG SER 34 9.038 4.315 4.997 229 H HIS 35 H HIS 35 7.732 6.618 8.942 230 HA HIS 35 HA HIS 35 9.714 8.655 8.675 231 HB3 HIS 35 2HB HIS 35 9.656 7.183 11.219 232 HD1 HIS 35 1HD HIS 35 10.895 8.761 12.646 233 HD2 HIS 35 2HD HIS 35 8.429 10.743 9.952 234 HE1 HIS 35 1HE HIS 35 11.190 11.209 13.141 235 H SER 36 H SER 36 9.804 5.309 8.343 236 HA SER 36 HA SER 36 12.190 4.512 9.473 237 HB3 SER 36 2HB SER 36 10.900 3.670 6.872 238 HG SER 36 HG SER 36 12.391 2.151 6.668 239 H PHE 37 H PHE 37 11.679 5.985 6.280 240 HA PHE 37 HA PHE 37 14.457 6.909 6.333 241 HB3 PHE 37 2HB PHE 37 13.879 6.260 3.637 242 HD1 PHE 37 1HD PHE 37 15.167 3.787 6.049 243 HD2 PHE 37 2HD PHE 37 16.134 6.858 3.266 244 HE1 PHE 37 1HE PHE 37 17.538 3.143 6.169 245 HE2 PHE 37 2HE PHE 37 18.507 6.219 3.380 246 HZ PHE 37 HZ PHE 37 19.212 4.359 4.833 247 H GLN 38 H GLN 38 14.850 8.802 5.146 248 HA GLN 38 HA GLN 38 12.737 10.647 5.057 249 HB3 GLN 38 2HB GLN 38 14.568 11.851 3.493 250 HG3 GLN 38 2HG GLN 38 13.999 11.836 6.267 251 HE21 GLN 38 1HE2 GLN 38 15.185 10.938 7.801 252 HE22 GLN 38 2HE2 GLN 38 16.899 11.088 7.969 253 H GLY 39 H GLY 39 11.602 11.574 3.354 254 HA2 GLY 39 2HA GLY 39 10.448 11.559 1.369 255 HA3 GLY 39 3HA GLY 39 11.982 11.112 0.636 256 H ALA 40 H ALA 40 10.095 9.252 2.975 257 HA ALA 40 HA ALA 40 9.573 7.257 0.872 258 HB1 ALA 40 1HB ALA 40 10.117 5.464 2.350 259 HB2 ALA 40 2HB ALA 40 11.470 6.597 2.358 260 HB3 ALA 40 3HB ALA 40 10.331 6.572 3.706 261 H TYR 41 H TYR 41 7.646 6.114 1.027 262 HA TYR 41 HA TYR 41 5.795 6.944 3.156 263 HB3 TYR 41 2HB TYR 41 3.974 7.001 1.447 264 HD1 TYR 41 1HD TYR 41 7.067 8.575 0.090 265 HD2 TYR 41 2HD TYR 41 3.396 9.141 2.165 266 HE1 TYR 41 1HE TYR 41 7.402 11.010 0.004 267 HE2 TYR 41 2HE TYR 41 3.719 11.578 2.084 268 HH TYR 41 HH TYR 41 6.686 13.008 1.170 269 H GLY 42 H GLY 42 4.524 5.364 3.989 270 HA2 GLY 42 2HA GLY 42 5.145 2.640 3.214 271 HA3 GLY 42 3HA GLY 42 4.184 3.140 4.598 272 H LEU 43 H LEU 43 4.068 1.651 1.647 273 HA LEU 43 HA LEU 43 1.244 2.353 1.217 274 HB3 LEU 43 2HB LEU 43 3.255 1.082 -0.634 275 HG LEU 43 HG LEU 43 0.882 0.341 -1.098 276 HD11 LEU 43 1HD1 LEU 43 0.532 3.221 -1.910 277 HD12 LEU 43 2HD1 LEU 43 -0.164 2.500 -0.459 278 HD13 LEU 43 3HD1 LEU 43 -0.650 1.920 -2.052 279 HD21 LEU 43 3HD2 LEU 43 1.145 0.534 -3.437 280 HD22 LEU 43 1HD2 LEU 43 2.777 0.496 -2.767 281 HD23 LEU 43 2HD2 LEU 43 2.072 2.028 -3.286 282 H ALA 44 H ALA 44 -0.234 0.936 1.843 283 HA ALA 44 HA ALA 44 0.556 -1.889 2.125 284 HB1 ALA 44 1HB ALA 44 -1.079 -2.089 3.904 285 HB2 ALA 44 2HB ALA 44 0.054 -0.786 4.264 286 HB3 ALA 44 3HB ALA 44 -1.566 -0.410 3.675 287 H LEU 45 H LEU 45 -0.684 -3.447 1.201 288 HA LEU 45 HA LEU 45 -3.194 -2.638 -0.091 289 HB3 LEU 45 2HB LEU 45 -0.962 -4.210 -1.370 290 HG LEU 45 HG LEU 45 -3.002 -5.141 -2.238 291 HD11 LEU 45 1HD1 LEU 45 -4.863 -3.934 -2.150 292 HD12 LEU 45 2HD1 LEU 45 -4.279 -3.043 -3.554 293 HD13 LEU 45 3HD1 LEU 45 -3.955 -2.439 -1.929 294 HD21 LEU 45 3HD2 LEU 45 -2.652 -4.777 -4.533 295 HD22 LEU 45 1HD2 LEU 45 -1.085 -4.483 -3.778 296 HD23 LEU 45 2HD2 LEU 45 -2.095 -3.123 -4.273 297 H LYS 46 H LYS 46 -4.790 -4.169 -0.121 298 HA LYS 46 HA LYS 46 -4.274 -6.570 1.477 299 HB3 LYS 46 2HB LYS 46 -7.022 -5.767 0.631 300 HG3 LYS 46 2HG LYS 46 -6.667 -6.258 3.429 301 HD3 LYS 46 2HD LYS 46 -8.096 -7.708 1.204 302 HE3 LYS 46 2HE LYS 46 -7.624 -8.492 3.939 303 HZ1 LYS 46 3HZ LYS 46 -9.749 -8.753 4.742 304 HZ2 LYS 46 1HZ LYS 46 -10.478 -8.568 3.226 305 HZ3 LYS 46 2HZ LYS 46 -9.855 -7.220 4.035 306 H VAL 47 H VAL 47 -4.441 -8.585 0.673 307 HA VAL 47 HA VAL 47 -5.028 -8.839 -2.191 308 HB VAL 47 HB VAL 47 -3.834 -10.939 -2.136 309 HG11 VAL 47 1HG1 VAL 47 -1.827 -9.952 -2.241 310 HG12 VAL 47 2HG1 VAL 47 -2.695 -8.472 -1.829 311 HG13 VAL 47 3HG1 VAL 47 -1.900 -9.411 -0.565 312 HG21 VAL 47 3HG2 VAL 47 -3.775 -12.155 -0.277 313 HG22 VAL 47 1HG2 VAL 47 -2.658 -10.983 0.424 314 HG23 VAL 47 2HG2 VAL 47 -4.395 -10.800 0.666 315 H ALA 48 H ALA 48 -6.164 -10.805 -2.905 316 HA ALA 48 HA ALA 48 -8.665 -11.079 -1.687 317 HB1 ALA 48 1HB ALA 48 -7.211 -12.604 -3.803 318 HB2 ALA 48 2HB ALA 48 -8.740 -13.218 -3.172 319 HB3 ALA 48 3HB ALA 48 -8.673 -11.625 -3.926 320 H THR 49 H THR 49 -5.834 -13.225 -1.603 321 HA THR 49 HA THR 49 -6.331 -14.106 1.027 322 HB THR 49 HB THR 49 -6.627 -16.616 -0.071 323 HG1 THR 49 1HG THR 49 -8.301 -16.450 -1.566 324 HG21 THR 49 3HG2 THR 49 -8.137 -14.781 1.561 325 HG22 THR 49 1HG2 THR 49 -8.056 -16.540 1.640 326 HG23 THR 49 2HG2 THR 49 -9.214 -15.757 0.563 327 HA PRO 50 HA PRO 50 -2.175 -15.470 0.656 328 HB3 PRO 50 2HB PRO 50 -2.200 -15.844 2.922 329 HG3 PRO 50 2HG PRO 50 -4.085 -16.708 3.975 330 HD3 PRO 50 2HD PRO 50 -5.052 -14.997 2.771 331 HA PRO 51 HA PRO 51 -1.695 -18.866 -2.096 332 HB3 PRO 51 2HB PRO 51 0.543 -18.355 -2.199 333 HG3 PRO 51 2HG PRO 51 1.705 -17.669 -0.306 334 HD3 PRO 51 2HD PRO 51 -0.110 -16.252 -0.193 335 HA PRO 52 HA PRO 52 -2.962 -22.712 -0.383 336 HB3 PRO 52 2HB PRO 52 -3.092 -23.527 -2.527 337 HG3 PRO 52 2HG PRO 52 -1.509 -22.946 -4.129 338 HD3 PRO 52 2HD PRO 52 -2.051 -20.853 -3.330 339 H SER 53 H SER 53 -1.656 -22.219 1.593 340 HA SER 53 HA SER 53 -0.139 -24.450 2.371 341 HB3 SER 53 2HB SER 53 1.971 -22.800 2.799 342 HG SER 53 HG SER 53 2.028 -23.915 0.289 343 H ALA 54 H ALA 54 -0.379 -20.944 2.939 344 HA ALA 54 HA ALA 54 0.023 -21.009 5.707 345 HB1 ALA 54 1HB ALA 54 -0.016 -18.996 4.125 346 HB2 ALA 54 2HB ALA 54 -1.763 -19.004 4.369 347 HB3 ALA 54 3HB ALA 54 -0.682 -18.781 5.744 348 H GLN 55 H GLN 55 -2.947 -21.258 3.796 349 HA GLN 55 HA GLN 55 -5.034 -22.000 4.312 350 HB3 GLN 55 2HB GLN 55 -4.883 -23.255 6.772 351 HG3 GLN 55 2HG GLN 55 -5.458 -24.042 4.266 352 HE21 GLN 55 1HE2 GLN 55 -4.235 -26.881 4.986 353 HE22 GLN 55 2HE2 GLN 55 -2.831 -26.916 3.979 354 HA PRO 56 HA PRO 56 -6.930 -19.047 6.942 355 HB3 PRO 56 2HB PRO 56 -8.951 -19.717 6.080 356 HG3 PRO 56 2HG PRO 56 -9.376 -21.957 5.622 357 HD3 PRO 56 2HD PRO 56 -7.347 -21.713 4.557 358 H TRP 57 H TRP 57 -7.155 -18.421 9.075 359 HA TRP 57 HA TRP 57 -7.063 -20.380 11.202 360 HB3 TRP 57 2HB TRP 57 -4.978 -18.449 11.731 361 HD1 TRP 57 HD TRP 57 -6.217 -20.747 13.486 362 HE1 TRP 57 1HE TRP 57 -4.741 -22.693 14.296 363 HE3 TRP 57 3HE TRP 57 -2.465 -20.413 10.029 364 HZ2 TRP 57 2HZ TRP 57 -2.306 -23.924 13.566 365 HZ3 TRP 57 3HZ TRP 57 -0.598 -22.012 10.156 366 HH2 TRP 57 HH TRP 57 -0.523 -23.730 11.889 367 H LYS 58 H LYS 58 -6.444 -18.813 13.329 368 HA LYS 58 HA LYS 58 -8.703 -16.965 13.366 369 HB3 LYS 58 2HB LYS 58 -8.446 -18.689 15.148 370 HG3 LYS 58 2HG LYS 58 -6.127 -17.004 16.072 371 HD3 LYS 58 2HD LYS 58 -5.938 -18.970 17.700 372 HE3 LYS 58 2HE LYS 58 -7.751 -16.671 17.759 373 HZ1 LYS 58 3HZ LYS 58 -9.161 -17.309 19.378 374 HZ2 LYS 58 1HZ LYS 58 -8.069 -18.395 20.077 375 HZ3 LYS 58 2HZ LYS 58 -8.941 -18.843 18.699 376 H GLY 59 H GLY 59 -5.209 -16.993 13.683 377 HA2 GLY 59 2HA GLY 59 -4.938 -14.285 12.968 378 HA3 GLY 59 3HA GLY 59 -4.832 -14.414 14.717 379 H ASP 60 H ASP 60 -3.229 -14.896 11.721 380 HA ASP 60 HA ASP 60 -0.673 -14.934 12.836 381 HB3 ASP 60 2HB ASP 60 -0.532 -17.534 11.799 382 HA PRO 61 HA PRO 61 -0.323 -16.135 8.178 383 HB3 PRO 61 2HB PRO 61 -1.579 -18.005 7.724 384 HG3 PRO 61 2HG PRO 61 -3.600 -18.385 8.811 385 HD3 PRO 61 2HD PRO 61 -2.251 -17.941 10.626 386 H VAL 62 H VAL 62 -2.837 -14.239 9.520 387 HA VAL 62 HA VAL 62 -3.811 -12.773 7.394 388 HB VAL 62 HB VAL 62 -4.591 -12.556 9.743 389 HG11 VAL 62 1HG1 VAL 62 -2.341 -12.412 10.768 390 HG12 VAL 62 2HG1 VAL 62 -2.176 -10.785 10.104 391 HG13 VAL 62 3HG1 VAL 62 -3.429 -11.130 11.299 392 HG21 VAL 62 3HG2 VAL 62 -4.180 -9.772 9.336 393 HG22 VAL 62 1HG2 VAL 62 -4.365 -10.543 7.760 394 HG23 VAL 62 2HG2 VAL 62 -5.616 -10.737 8.988 395 H GLU 63 H GLU 63 -0.691 -12.584 8.953 396 HA GLU 63 HA GLU 63 0.171 -10.082 8.105 397 HB3 GLU 63 2HB GLU 63 2.315 -12.004 7.937 398 HG3 GLU 63 2HG GLU 63 1.565 -9.825 9.849 399 H GLN 64 H GLN 64 -0.212 -13.043 6.329 400 HA GLN 64 HA GLN 64 1.318 -12.102 4.055 401 HB3 GLN 64 2HB GLN 64 0.030 -14.297 3.130 402 HG3 GLN 64 2HG GLN 64 2.610 -13.732 3.978 403 HE21 GLN 64 1HE2 GLN 64 2.320 -17.071 3.997 404 HE22 GLN 64 2HE2 GLN 64 2.704 -17.355 5.656 405 H LEU 65 H LEU 65 -1.972 -12.155 5.131 406 HA LEU 65 HA LEU 65 -3.246 -11.854 2.625 407 HB3 LEU 65 2HB LEU 65 -5.052 -10.748 4.138 408 HG LEU 65 HG LEU 65 -5.242 -13.099 3.377 409 HD11 LEU 65 1HD1 LEU 65 -3.523 -14.380 4.083 410 HD12 LEU 65 2HD1 LEU 65 -4.605 -14.685 5.442 411 HD13 LEU 65 3HD1 LEU 65 -3.325 -13.482 5.588 412 HD21 LEU 65 3HD2 LEU 65 -6.049 -12.613 6.244 413 HD22 LEU 65 1HD2 LEU 65 -6.745 -13.817 5.159 414 HD23 LEU 65 2HD2 LEU 65 -6.948 -12.099 4.814 415 H VAL 66 H VAL 66 -1.521 -9.670 4.666 416 HA VAL 66 HA VAL 66 -2.286 -7.438 2.898 417 HB VAL 66 HB VAL 66 -1.489 -7.222 5.804 418 HG11 VAL 66 1HG1 VAL 66 -1.771 -5.291 3.635 419 HG12 VAL 66 2HG1 VAL 66 -2.707 -4.876 5.072 420 HG13 VAL 66 3HG1 VAL 66 -0.966 -5.134 5.196 421 HG21 VAL 66 3HG2 VAL 66 -4.111 -7.485 4.461 422 HG22 VAL 66 1HG2 VAL 66 -3.612 -7.966 6.081 423 HG23 VAL 66 2HG2 VAL 66 -3.997 -6.279 5.742 424 H ARG 67 H ARG 67 -0.675 -6.608 1.749 425 HA ARG 67 HA ARG 67 2.086 -7.165 2.607 426 HB3 ARG 67 2HB ARG 67 2.502 -6.565 0.082 427 HG3 ARG 67 2HG ARG 67 1.242 -9.174 0.899 428 HD3 ARG 67 2HD ARG 67 1.932 -8.239 -1.670 429 HE ARG 67 HE ARG 67 4.101 -8.937 -1.834 430 HH11 ARG 67 1HH1 ARG 67 2.301 -11.267 0.023 431 HH12 ARG 67 2HH1 ARG 67 3.599 -12.413 0.088 432 HH21 ARG 67 1HH2 ARG 67 5.818 -10.438 -1.758 433 HH22 ARG 67 2HH2 ARG 67 5.599 -11.939 -0.925 434 H HIS 68 H HIS 68 3.104 -5.480 3.446 435 HA HIS 68 HA HIS 68 2.467 -2.793 2.417 436 HB3 HIS 68 2HB HIS 68 1.691 -2.927 4.683 437 HD1 HIS 68 1HD HIS 68 5.041 -2.726 6.151 438 HD2 HIS 68 2HD HIS 68 2.081 -5.607 5.709 439 HE1 HIS 68 1HE HIS 68 5.631 -4.550 7.778 440 H PHE 69 H PHE 69 4.083 -1.754 1.462 441 HA PHE 69 HA PHE 69 6.845 -2.462 2.182 442 HB3 PHE 69 2HB PHE 69 7.317 -1.992 -0.338 443 HD1 PHE 69 2HD PHE 69 8.293 -3.877 1.523 444 HD2 PHE 69 1HD PHE 69 5.281 -4.409 -1.437 445 HE1 PHE 69 2HE PHE 69 8.771 -6.291 1.475 446 HE2 PHE 69 1HE PHE 69 5.754 -6.823 -1.489 447 HZ PHE 69 HZ PHE 69 7.501 -7.766 -0.032 448 H LEU 70 H LEU 70 8.420 -0.800 1.753 449 HA LEU 70 HA LEU 70 7.257 1.874 2.007 450 HB3 LEU 70 2HB LEU 70 8.737 1.441 3.766 451 HG LEU 70 HG LEU 70 10.330 -0.067 1.853 452 HD11 LEU 70 1HD1 LEU 70 12.462 0.528 3.184 453 HD12 LEU 70 2HD1 LEU 70 11.630 2.043 3.530 454 HD13 LEU 70 3HD1 LEU 70 11.959 1.580 1.861 455 HD21 LEU 70 3HD2 LEU 70 9.207 -0.505 4.277 456 HD22 LEU 70 1HD2 LEU 70 10.880 -0.192 4.738 457 HD23 LEU 70 2HD2 LEU 70 10.508 -1.481 3.594 458 H ILE 71 H ILE 71 7.250 3.218 0.340 459 HA ILE 71 HA ILE 71 8.970 2.628 -1.961 460 HB ILE 71 HB ILE 71 6.671 4.577 -1.875 461 HG13 ILE 71 2HG1 ILE 71 5.901 2.303 -1.281 462 HG21 ILE 71 1HG2 ILE 71 6.736 4.465 -4.258 463 HG22 ILE 71 2HG2 ILE 71 8.376 4.780 -3.692 464 HG23 ILE 71 3HG2 ILE 71 7.921 3.160 -4.220 465 HD11 ILE 71 3HD1 ILE 71 4.711 2.026 -3.769 466 HD12 ILE 71 1HD1 ILE 71 4.066 2.886 -2.371 467 HD13 ILE 71 2HD1 ILE 71 4.990 3.758 -3.595 468 H GLU 72 H GLU 72 10.514 3.999 -2.660 469 HA GLU 72 HA GLU 72 10.851 6.516 -1.165 470 HB3 GLU 72 2HB GLU 72 13.095 5.089 -2.562 471 HG3 GLU 72 2HG GLU 72 13.182 6.693 -0.028 472 H THR 73 H THR 73 10.948 8.376 -2.269 473 HA THR 73 HA THR 73 11.101 8.221 -5.210 474 HB THR 73 HB THR 73 8.877 8.880 -4.691 475 HG1 THR 73 1HG THR 73 8.856 10.706 -5.854 476 HG21 THR 73 3HG2 THR 73 8.956 11.252 -3.281 477 HG22 THR 73 1HG2 THR 73 10.161 10.256 -2.466 478 HG23 THR 73 2HG2 THR 73 8.502 9.677 -2.631 479 H GLY 74 H GLY 74 12.819 9.190 -6.059 480 HA2 GLY 74 2HA GLY 74 13.928 11.549 -4.684 481 HA3 GLY 74 3HA GLY 74 14.986 10.235 -5.175 482 HA PRO 75 HA PRO 75 14.892 13.379 -8.582 483 HB3 PRO 75 2HB PRO 75 16.756 14.440 -7.758 484 HG3 PRO 75 2HG PRO 75 18.248 13.330 -6.360 485 HD3 PRO 75 2HD PRO 75 16.265 12.833 -5.297 486 H LYS 76 H LYS 76 15.773 10.149 -8.157 487 HA LYS 76 HA LYS 76 16.347 9.790 -11.020 488 HB3 LYS 76 2HB LYS 76 17.011 7.428 -10.195 489 HG3 LYS 76 2HG LYS 76 18.989 9.044 -8.882 490 HD3 LYS 76 2HD LYS 76 18.851 7.545 -11.493 491 HE3 LYS 76 2HE LYS 76 21.319 8.630 -10.148 492 HZ1 LYS 76 3HZ LYS 76 21.375 7.933 -12.940 493 HZ2 LYS 76 1HZ LYS 76 21.075 6.614 -11.924 494 HZ3 LYS 76 2HZ LYS 76 22.468 7.548 -11.707 495 H GLY 77 H GLY 77 13.791 9.764 -9.000 496 HA2 GLY 77 2HA GLY 77 11.667 9.117 -10.085 497 HA3 GLY 77 3HA GLY 77 12.456 7.607 -10.517 498 H VAL 78 H VAL 78 10.228 7.114 -9.364 499 HA VAL 78 HA VAL 78 10.790 6.705 -6.499 500 HB VAL 78 HB VAL 78 8.835 8.119 -6.852 501 HG11 VAL 78 1HG1 VAL 78 7.590 5.794 -8.310 502 HG12 VAL 78 2HG1 VAL 78 6.892 7.392 -8.042 503 HG13 VAL 78 3HG1 VAL 78 8.283 7.204 -9.111 504 HG21 VAL 78 3HG2 VAL 78 7.938 5.379 -5.973 505 HG22 VAL 78 1HG2 VAL 78 8.921 6.458 -4.982 506 HG23 VAL 78 2HG2 VAL 78 7.292 6.938 -5.460 507 H LYS 79 H LYS 79 11.022 4.682 -5.810 508 HA LYS 79 HA LYS 79 9.920 2.497 -7.448 509 HB3 LYS 79 2HB LYS 79 12.421 2.805 -7.695 510 HG3 LYS 79 2HG LYS 79 12.730 1.443 -5.067 511 HD3 LYS 79 2HD LYS 79 14.434 2.935 -7.015 512 HE3 LYS 79 2HE LYS 79 14.875 2.702 -4.058 513 HZ1 LYS 79 3HZ LYS 79 16.759 1.861 -5.772 514 HZ2 LYS 79 1HZ LYS 79 17.084 2.551 -4.261 515 HZ3 LYS 79 2HZ LYS 79 17.141 3.505 -5.656 516 H ILE 80 H ILE 80 9.245 0.644 -6.330 517 HA ILE 80 HA ILE 80 8.603 1.138 -3.523 518 HB ILE 80 HB ILE 80 7.608 -1.048 -5.354 519 HG13 ILE 80 2HG1 ILE 80 6.654 1.717 -4.757 520 HG21 ILE 80 1HG2 ILE 80 7.504 -0.794 -2.548 521 HG22 ILE 80 2HG2 ILE 80 5.883 -0.464 -3.157 522 HG23 ILE 80 3HG2 ILE 80 6.685 -1.980 -3.565 523 HD11 ILE 80 3HD1 ILE 80 5.658 1.314 -7.102 524 HD12 ILE 80 1HD1 ILE 80 7.393 1.584 -6.938 525 HD13 ILE 80 2HD1 ILE 80 6.772 -0.052 -7.157 526 H LYS 81 H LYS 81 9.883 0.339 -2.007 527 HA LYS 81 HA LYS 81 11.871 -1.632 -2.545 528 HB3 LYS 81 2HB LYS 81 11.088 -1.004 0.258 529 HG3 LYS 81 2HG LYS 81 13.265 -2.197 -0.755 530 HD3 LYS 81 2HD LYS 81 13.829 0.754 -0.701 531 HE3 LYS 81 2HE LYS 81 16.246 0.079 -0.870 532 HZ1 LYS 81 3HZ LYS 81 15.832 0.973 1.172 533 HZ2 LYS 81 1HZ LYS 81 16.298 -0.584 1.640 534 HZ3 LYS 81 2HZ LYS 81 14.658 -0.174 1.581 535 H GLY 82 H GLY 82 11.253 -3.668 -2.964 536 HA2 GLY 82 2HA GLY 82 10.373 -5.411 -1.006 537 HA3 GLY 82 3HA GLY 82 8.927 -4.875 -1.848 538 H CYS 83 H CYS 83 10.426 -4.597 -4.396 539 HA CYS 83 HA CYS 83 10.967 -7.418 -5.002 540 HB3 CYS 83 2HB CYS 83 8.736 -7.216 -5.741 541 HG CYS 83 HG CYS 83 9.120 -4.093 -5.783 542 HA PRO 84 HA PRO 84 14.406 -5.958 -7.299 543 HB3 PRO 84 2HB PRO 84 14.971 -8.159 -7.640 544 HG3 PRO 84 2HG PRO 84 13.338 -9.772 -8.011 545 HD3 PRO 84 2HD PRO 84 12.479 -8.764 -6.125 546 H SER 85 H SER 85 11.295 -6.134 -8.744 547 HA SER 85 HA SER 85 11.720 -5.349 -11.354 548 HB3 SER 85 2HB SER 85 9.468 -4.025 -10.932 549 HG SER 85 HG SER 85 9.939 -6.793 -10.914 550 H GLU 86 H GLU 86 10.593 -2.986 -8.953 551 HA GLU 86 HA GLU 86 10.961 -0.742 -8.772 552 HB3 GLU 86 2HB GLU 86 13.255 -0.076 -8.537 553 HG3 GLU 86 2HG GLU 86 12.967 -2.959 -7.722 554 HA PRO 87 HA PRO 87 10.915 -0.193 -13.406 555 HB3 PRO 87 2HB PRO 87 8.724 -0.864 -13.577 556 HG3 PRO 87 2HG PRO 87 7.296 -0.775 -11.744 557 HD3 PRO 87 2HD PRO 87 9.087 -1.875 -10.798 558 H TYR 88 H TYR 88 11.177 1.622 -10.697 559 HA TYR 88 HA TYR 88 11.328 3.869 -10.216 560 HB3 TYR 88 2HB TYR 88 13.495 3.682 -11.025 561 HD1 TYR 88 2HD TYR 88 12.392 4.679 -14.373 562 HD2 TYR 88 1HD TYR 88 13.961 1.512 -12.004 563 HE1 TYR 88 2HE TYR 88 12.972 3.443 -16.419 564 HE2 TYR 88 1HE TYR 88 14.545 0.267 -14.043 565 HH TYR 88 HH TYR 88 13.710 1.509 -17.256 566 H PHE 89 H PHE 89 9.058 4.328 -10.488 567 HA PHE 89 HA PHE 89 8.112 5.349 -13.007 568 HB3 PHE 89 2HB PHE 89 6.106 6.023 -11.506 569 HD1 PHE 89 1HD PHE 89 5.927 4.734 -13.837 570 HD2 PHE 89 2HD PHE 89 6.319 2.893 -10.020 571 HE1 PHE 89 1HE PHE 89 4.931 2.670 -14.733 572 HE2 PHE 89 2HE PHE 89 5.325 0.826 -10.910 573 HZ PHE 89 HZ PHE 89 4.630 0.712 -13.270 574 H GLY 90 H GLY 90 6.691 7.538 -12.579 575 HA2 GLY 90 2HA GLY 90 8.716 9.570 -12.272 576 HA3 GLY 90 3HA GLY 90 7.042 9.825 -12.740 577 H SER 91 H SER 91 5.497 9.146 -10.790 578 HA SER 91 HA SER 91 6.585 10.120 -8.257 579 HB3 SER 91 2HB SER 91 5.704 12.164 -8.607 580 HG SER 91 HG SER 91 3.707 11.605 -10.399 581 H LEU 92 H LEU 92 4.767 10.022 -6.529 582 HA LEU 92 HA LEU 92 4.005 7.389 -6.172 583 HB3 LEU 92 2HB LEU 92 2.236 8.494 -4.586 584 HG LEU 92 HG LEU 92 4.905 7.852 -4.159 585 HD11 LEU 92 1HD1 LEU 92 5.883 9.898 -4.055 586 HD12 LEU 92 2HD1 LEU 92 5.284 9.804 -2.399 587 HD13 LEU 92 3HD1 LEU 92 4.386 10.718 -3.610 588 HD21 LEU 92 3HD2 LEU 92 4.191 7.378 -2.037 589 HD22 LEU 92 1HD2 LEU 92 2.640 7.473 -2.871 590 HD23 LEU 92 2HD2 LEU 92 3.214 8.843 -1.918 591 H SER 93 H SER 93 2.221 10.044 -7.646 592 HA SER 93 HA SER 93 -0.246 8.653 -7.883 593 HB3 SER 93 2HB SER 93 -0.297 10.536 -9.890 594 HG SER 93 HG SER 93 -1.838 10.533 -8.313 595 H ALA 94 H ALA 94 2.599 8.953 -9.911 596 HA ALA 94 HA ALA 94 1.490 7.848 -12.267 597 HB1 ALA 94 1HB ALA 94 3.666 9.161 -11.998 598 HB2 ALA 94 2HB ALA 94 4.385 7.626 -11.512 599 HB3 ALA 94 3HB ALA 94 3.671 7.796 -13.114 600 H LEU 95 H LEU 95 3.318 6.409 -9.584 601 HA LEU 95 HA LEU 95 3.270 3.773 -10.672 602 HB3 LEU 95 2HB LEU 95 5.016 4.321 -9.161 603 HG LEU 95 HG LEU 95 3.525 5.980 -7.767 604 HD11 LEU 95 1HD1 LEU 95 3.350 4.559 -5.467 605 HD12 LEU 95 2HD1 LEU 95 2.888 3.341 -6.655 606 HD13 LEU 95 3HD1 LEU 95 2.000 4.861 -6.561 607 HD21 LEU 95 3HD2 LEU 95 6.041 4.698 -7.392 608 HD22 LEU 95 1HD2 LEU 95 5.277 4.920 -5.818 609 HD23 LEU 95 2HD2 LEU 95 5.529 6.307 -6.877 610 H VAL 96 H VAL 96 1.173 5.620 -8.583 611 HA VAL 96 HA VAL 96 -0.340 3.435 -7.576 612 HB VAL 96 HB VAL 96 -0.751 6.395 -7.679 613 HG11 VAL 96 1HG1 VAL 96 -2.950 5.727 -8.161 614 HG12 VAL 96 2HG1 VAL 96 -2.853 4.334 -7.082 615 HG13 VAL 96 3HG1 VAL 96 -2.920 5.966 -6.414 616 HG21 VAL 96 3HG2 VAL 96 0.110 6.233 -5.638 617 HG22 VAL 96 1HG2 VAL 96 -1.251 5.224 -5.148 618 HG23 VAL 96 2HG2 VAL 96 0.207 4.480 -5.805 619 H SER 97 H SER 97 -0.758 5.642 -10.312 620 HA SER 97 HA SER 97 -3.284 4.575 -11.101 621 HB3 SER 97 2HB SER 97 -2.212 5.758 -13.366 622 HG SER 97 HG SER 97 -3.864 6.980 -12.967 623 H GLN 98 H GLN 98 0.062 4.002 -12.066 624 HA GLN 98 HA GLN 98 -0.575 2.250 -14.219 625 HB3 GLN 98 2HB GLN 98 1.971 1.558 -13.507 626 HG3 GLN 98 2HG GLN 98 2.783 3.142 -15.119 627 HE21 GLN 98 1HE2 GLN 98 2.710 1.034 -16.049 628 HE22 GLN 98 2HE2 GLN 98 1.483 0.627 -17.195 629 H HIS 99 H HIS 99 -0.118 1.855 -10.792 630 HA HIS 99 HA HIS 99 0.325 -0.938 -10.762 631 HB3 HIS 99 2HB HIS 99 -0.833 -0.507 -8.357 632 HD1 HIS 99 1HD HIS 99 1.484 1.347 -7.062 633 HD2 HIS 99 2HD HIS 99 1.963 -1.879 -9.636 634 HE1 HIS 99 1HE HIS 99 3.818 0.503 -6.656 635 H SER 100 H SER 100 -2.396 0.858 -11.576 636 HA SER 100 HA SER 100 -4.353 -1.073 -10.669 637 HB3 SER 100 2HB SER 100 -4.497 1.508 -12.207 638 HG SER 100 HG SER 100 -6.744 1.164 -12.360 639 H ILE 101 H ILE 101 -2.213 -0.914 -13.199 640 HA ILE 101 HA ILE 101 -3.863 -2.751 -14.800 641 HB ILE 101 HB ILE 101 -1.927 -0.761 -15.982 642 HG13 ILE 101 2HG1 ILE 101 -4.831 -0.573 -15.359 643 HG21 ILE 101 1HG2 ILE 101 -3.139 -3.108 -16.994 644 HG22 ILE 101 2HG2 ILE 101 -3.889 -1.731 -17.800 645 HG23 ILE 101 3HG2 ILE 101 -2.139 -1.936 -17.851 646 HD11 ILE 101 3HD1 ILE 101 -4.306 1.411 -14.516 647 HD12 ILE 101 1HD1 ILE 101 -2.621 0.918 -14.685 648 HD13 ILE 101 2HD1 ILE 101 -3.393 1.871 -15.953 649 H SER 102 H SER 102 -0.588 -1.650 -14.010 650 HA SER 102 HA SER 102 0.410 -4.327 -14.731 651 HB3 SER 102 2HB SER 102 2.102 -1.839 -14.468 652 HG SER 102 HG SER 102 3.585 -3.257 -14.867 653 HA PRO 103 HA PRO 103 0.693 -4.030 -10.124 654 HB3 PRO 103 2HB PRO 103 -1.221 -5.278 -9.884 655 HG3 PRO 103 2HG PRO 103 -1.946 -6.699 -11.576 656 HD3 PRO 103 2HD PRO 103 -1.606 -4.772 -12.794 657 H ILE 104 H ILE 104 2.921 -3.910 -10.038 658 HA ILE 104 HA ILE 104 4.691 -5.889 -10.983 659 HB ILE 104 HB ILE 104 5.116 -3.807 -8.836 660 HG13 ILE 104 2HG1 ILE 104 6.151 -2.489 -10.582 661 HG21 ILE 104 1HG2 ILE 104 7.521 -4.152 -9.278 662 HG22 ILE 104 2HG2 ILE 104 6.740 -5.577 -8.594 663 HG23 ILE 104 3HG2 ILE 104 7.109 -5.516 -10.316 664 HD11 ILE 104 3HD1 ILE 104 7.074 -4.291 -11.962 665 HD12 ILE 104 1HD1 ILE 104 5.444 -4.694 -12.503 666 HD13 ILE 104 2HD1 ILE 104 6.147 -3.128 -12.909 667 H SER 105 H SER 105 3.892 -5.083 -7.596 668 HA SER 105 HA SER 105 4.405 -7.905 -6.916 669 HB3 SER 105 2HB SER 105 5.877 -5.877 -5.985 670 HG SER 105 HG SER 105 5.095 -5.246 -3.959 671 H LEU 106 H LEU 106 1.891 -6.470 -7.722 672 HA LEU 106 HA LEU 106 0.303 -6.785 -5.275 673 HB3 LEU 106 2HB LEU 106 -1.209 -5.314 -6.117 674 HG LEU 106 HG LEU 106 1.130 -4.523 -7.852 675 HD11 LEU 106 1HD1 LEU 106 -1.493 -3.278 -7.244 676 HD12 LEU 106 2HD1 LEU 106 -0.531 -3.233 -8.721 677 HD13 LEU 106 3HD1 LEU 106 -0.080 -2.227 -7.344 678 HD21 LEU 106 3HD2 LEU 106 0.868 -4.572 -5.042 679 HD22 LEU 106 1HD2 LEU 106 0.744 -2.886 -5.547 680 HD23 LEU 106 2HD2 LEU 106 2.153 -3.842 -6.006 681 HA PRO 107 HA PRO 107 -1.559 -10.538 -6.580 682 HB3 PRO 107 2HB PRO 107 -2.708 -10.531 -4.592 683 HG3 PRO 107 2HG PRO 107 -3.516 -8.550 -3.679 684 HD3 PRO 107 2HD PRO 107 -1.337 -7.932 -4.104 685 H CYS 108 H CYS 108 -3.715 -7.751 -7.149 686 HA CYS 108 HA CYS 108 -3.980 -8.471 -9.934 687 HB3 CYS 108 2HB CYS 108 -6.509 -8.317 -8.301 688 HG CYS 108 HG CYS 108 -6.821 -10.258 -10.882 689 H CYS 109 H CYS 109 -2.784 -6.286 -9.311 690 HA CYS 109 HA CYS 109 -2.748 -4.033 -9.617 691 HB3 CYS 109 2HB CYS 109 -4.360 -3.039 -11.011 692 HG CYS 109 HG CYS 109 -5.442 -5.688 -12.473 693 H LEU 110 H LEU 110 -3.396 -2.058 -8.617 694 HA LEU 110 HA LEU 110 -4.631 -2.487 -6.033 695 HB3 LEU 110 2HB LEU 110 -2.543 -1.000 -6.754 696 HG LEU 110 HG LEU 110 -4.801 1.002 -6.719 697 HD11 LEU 110 1HD1 LEU 110 -2.087 1.990 -7.086 698 HD12 LEU 110 2HD1 LEU 110 -2.358 1.275 -5.497 699 HD13 LEU 110 3HD1 LEU 110 -3.387 2.594 -6.058 700 HD21 LEU 110 3HD2 LEU 110 -4.008 -0.236 -8.886 701 HD22 LEU 110 1HD2 LEU 110 -2.641 0.873 -8.772 702 HD23 LEU 110 2HD2 LEU 110 -4.283 1.506 -8.901 703 H ARG 111 H ARG 111 -6.446 -1.407 -5.245 704 HA ARG 111 HA ARG 111 -8.352 -0.628 -7.310 705 HB3 ARG 111 2HB ARG 111 -9.298 -0.572 -4.546 706 HG3 ARG 111 2HG ARG 111 -10.768 -0.720 -6.538 707 HD3 ARG 111 2HD ARG 111 -10.229 -3.630 -6.711 708 HE ARG 111 HE ARG 111 -11.544 -1.681 -8.336 709 HH11 ARG 111 1HH1 ARG 111 -9.881 -4.739 -8.390 710 HH12 ARG 111 2HH1 ARG 111 -10.668 -5.290 -9.833 711 HH21 ARG 111 1HH2 ARG 111 -12.586 -2.395 -10.235 712 HH22 ARG 111 2HH2 ARG 111 -12.206 -3.955 -10.881 713 H ILE 112 H ILE 112 -8.391 1.443 -7.874 714 HA ILE 112 HA ILE 112 -7.489 3.520 -6.090 715 HB ILE 112 HB ILE 112 -8.733 3.759 -8.833 716 HG13 ILE 112 2HG1 ILE 112 -6.454 3.987 -9.659 717 HG21 ILE 112 1HG2 ILE 112 -8.878 5.803 -7.460 718 HG22 ILE 112 2HG2 ILE 112 -7.127 5.767 -7.258 719 HG23 ILE 112 3HG2 ILE 112 -7.825 5.999 -8.862 720 HD11 ILE 112 3HD1 ILE 112 -4.841 4.647 -8.294 721 HD12 ILE 112 1HD1 ILE 112 -5.781 4.233 -6.860 722 HD13 ILE 112 2HD1 ILE 112 -4.816 2.998 -7.670 723 HA PRO 113 HA PRO 113 -11.453 4.376 -4.324 724 HB3 PRO 113 2HB PRO 113 -10.289 5.231 -2.537 725 HG3 PRO 113 2HG PRO 113 -8.236 6.281 -2.833 726 HD3 PRO 113 2HD PRO 113 -7.865 4.340 -4.019 727 H SER 114 H SER 114 -12.718 6.675 -4.059 728 HA SER 114 HA SER 114 -13.324 7.427 -6.794 729 HB3 SER 114 2HB SER 114 -14.653 8.194 -4.183 730 HG SER 114 HG SER 114 -16.225 8.396 -6.331 731 H LYS 115 H LYS 115 -10.885 8.354 -6.376 732 HA LYS 115 HA LYS 115 -11.212 11.195 -6.590 733 HB3 LYS 115 2HB LYS 115 -9.249 10.412 -4.480 734 HG3 LYS 115 2HG LYS 115 -9.365 12.745 -5.288 735 HD3 LYS 115 2HD LYS 115 -12.204 12.373 -4.528 736 HE3 LYS 115 2HE LYS 115 -10.549 14.690 -3.692 737 HZ1 LYS 115 3HZ LYS 115 -11.967 15.628 -5.424 738 HZ2 LYS 115 1HZ LYS 115 -12.419 16.184 -3.892 739 HZ3 LYS 115 2HZ LYS 115 -13.339 14.993 -4.663 Start of MODEL 20 1 H1 MET 1 H MET 1 -17.292 6.118 -1.207 2 HA MET 1 HA MET 1 -17.647 4.799 0.870 3 HB3 MET 1 2HB MET 1 -18.649 2.864 -0.050 4 HG3 MET 1 2HG MET 1 -16.710 1.402 -1.369 5 HE1 MET 1 3HE MET 1 -17.626 -0.072 -2.408 6 HE2 MET 1 1HE MET 1 -19.357 -0.199 -2.725 7 HE3 MET 1 2HE MET 1 -18.250 0.231 -4.030 8 H ASP 2 H ASP 2 -15.351 4.818 -1.726 9 HA ASP 2 HA ASP 2 -13.146 4.467 0.189 10 HB3 ASP 2 2HB ASP 2 -11.781 4.214 -1.991 11 H THR 3 H THR 3 -12.630 6.417 0.980 12 HA THR 3 HA THR 3 -12.393 8.671 -0.897 13 HB THR 3 HB THR 3 -12.124 9.457 1.865 14 HG1 THR 3 1HG THR 3 -13.639 8.284 2.745 15 HG21 THR 3 3HG2 THR 3 -14.307 10.045 -0.137 16 HG22 THR 3 1HG2 THR 3 -12.762 10.892 -0.067 17 HG23 THR 3 2HG2 THR 3 -13.889 10.999 1.286 18 H SER 4 H SER 4 -10.510 9.830 -1.059 19 HA SER 4 HA SER 4 -8.091 8.491 -0.481 20 HB3 SER 4 2HB SER 4 -8.070 9.923 -2.364 21 HG SER 4 HG SER 4 -9.589 11.416 -2.133 22 H LYS 5 H LYS 5 -9.763 11.192 1.061 23 HA LYS 5 HA LYS 5 -7.720 11.851 2.898 24 HB3 LYS 5 2HB LYS 5 -9.630 13.334 2.331 25 HG3 LYS 5 2HG LYS 5 -11.273 11.685 4.228 26 HD3 LYS 5 2HD LYS 5 -12.916 13.152 2.578 27 HE3 LYS 5 2HE LYS 5 -12.905 14.762 4.643 28 HZ1 LYS 5 3HZ LYS 5 -14.383 13.353 5.712 29 HZ2 LYS 5 1HZ LYS 5 -13.561 11.949 5.246 30 HZ3 LYS 5 2HZ LYS 5 -14.459 12.820 4.109 31 H PHE 6 H PHE 6 -10.193 9.404 2.874 32 HA PHE 6 HA PHE 6 -9.848 8.773 5.684 33 HB3 PHE 6 2HB PHE 6 -11.275 6.707 4.382 34 HD1 PHE 6 1HD PHE 6 -11.261 6.601 6.961 35 HD2 PHE 6 2HD PHE 6 -13.420 9.500 4.714 36 HE1 PHE 6 1HE PHE 6 -12.724 7.007 8.897 37 HE2 PHE 6 2HE PHE 6 -14.887 9.910 6.646 38 HZ PHE 6 HZ PHE 6 -14.539 8.664 8.741 39 H TRP 7 H TRP 7 -8.728 7.654 2.583 40 HA TRP 7 HA TRP 7 -7.559 5.243 3.719 41 HB3 TRP 7 2HB TRP 7 -6.660 5.099 1.257 42 HD1 TRP 7 HD TRP 7 -9.997 5.293 0.009 43 HE1 TRP 7 1HE TRP 7 -11.321 3.119 0.394 44 HE3 TRP 7 3HE TRP 7 -6.983 3.116 3.519 45 HZ2 TRP 7 2HZ TRP 7 -11.115 0.791 1.976 46 HZ3 TRP 7 3HZ TRP 7 -7.618 0.916 4.418 47 HH2 TRP 7 HH TRP 7 -9.642 -0.221 3.661 48 H TYR 8 H TYR 8 -6.724 8.446 3.489 49 HA TYR 8 HA TYR 8 -3.844 7.829 3.412 50 HB3 TYR 8 2HB TYR 8 -5.283 10.416 2.792 51 HD1 TYR 8 2HD TYR 8 -1.947 8.751 2.917 52 HD2 TYR 8 1HD TYR 8 -4.104 12.415 2.744 53 HE1 TYR 8 2HE TYR 8 0.156 9.996 3.193 54 HE2 TYR 8 1HE TYR 8 -2.006 13.670 3.017 55 HH TYR 8 HH TYR 8 0.197 13.449 3.697 56 H LYS 9 H LYS 9 -3.060 7.663 5.404 57 HA LYS 9 HA LYS 9 -3.642 9.800 7.319 58 HB3 LYS 9 2HB LYS 9 -3.636 7.914 9.110 59 HG3 LYS 9 2HG LYS 9 -6.060 7.490 8.851 60 HD3 LYS 9 2HD LYS 9 -5.614 10.377 8.214 61 HE3 LYS 9 2HE LYS 9 -6.964 9.693 10.678 62 HZ1 LYS 9 3HZ LYS 9 -7.290 11.424 8.417 63 HZ2 LYS 9 1HZ LYS 9 -7.761 11.651 10.027 64 HZ3 LYS 9 2HZ LYS 9 -8.761 10.795 8.966 65 HA PRO 10 HA PRO 10 0.833 9.456 7.313 66 HB3 PRO 10 2HB PRO 10 0.876 11.732 7.000 67 HG3 PRO 10 2HG PRO 10 -0.849 13.083 7.781 68 HD3 PRO 10 2HD PRO 10 -2.074 11.481 6.662 69 H HIS 11 H HIS 11 -1.182 10.140 10.143 70 HA HIS 11 HA HIS 11 0.849 9.346 12.017 71 HB3 HIS 11 2HB HIS 11 -1.821 9.299 13.120 72 HD1 HIS 11 1HD HIS 11 -0.179 8.978 15.167 73 HD2 HIS 11 2HD HIS 11 0.020 12.679 13.289 74 HE1 HIS 11 1HE HIS 11 1.051 10.480 16.767 75 H LEU 12 H LEU 12 -1.680 7.782 10.254 76 HA LEU 12 HA LEU 12 -2.228 5.576 11.843 77 HB3 LEU 12 2HB LEU 12 -2.064 5.805 8.844 78 HG LEU 12 HG LEU 12 -2.154 3.379 9.907 79 HD11 LEU 12 1HD1 LEU 12 -5.056 4.191 9.895 80 HD12 LEU 12 2HD1 LEU 12 -4.087 3.964 11.351 81 HD13 LEU 12 3HD1 LEU 12 -4.392 2.601 10.274 82 HD21 LEU 12 3HD2 LEU 12 -2.228 3.892 7.527 83 HD22 LEU 12 1HD2 LEU 12 -3.934 4.322 7.660 84 HD23 LEU 12 2HD2 LEU 12 -3.421 2.658 7.939 85 H SER 13 H SER 13 -0.920 4.099 12.671 86 HA SER 13 HA SER 13 1.759 3.741 11.729 87 HB3 SER 13 2HB SER 13 2.091 2.856 13.769 88 HG SER 13 HG SER 13 0.734 3.737 15.098 89 H ARG 14 H ARG 14 2.662 1.584 11.213 90 HA ARG 14 HA ARG 14 1.486 0.478 8.954 91 HB3 ARG 14 2HB ARG 14 3.827 0.184 9.317 92 HG3 ARG 14 2HG ARG 14 3.245 -1.592 11.670 93 HD3 ARG 14 2HD ARG 14 5.582 -0.977 10.065 94 HE ARG 14 HE ARG 14 5.674 0.125 12.652 95 HH11 ARG 14 1HH1 ARG 14 7.511 -1.935 10.530 96 HH12 ARG 14 2HH1 ARG 14 9.040 -1.513 11.231 97 HH21 ARG 14 1HH2 ARG 14 7.679 0.688 13.583 98 HH22 ARG 14 2HH2 ARG 14 9.133 -0.023 12.968 99 H ASP 15 H ASP 15 1.505 -0.761 12.286 100 HA ASP 15 HA ASP 15 0.095 -3.122 11.840 101 HB3 ASP 15 2HB ASP 15 -0.091 -1.395 14.315 102 H GLN 16 H GLN 16 -1.096 0.141 12.526 103 HA GLN 16 HA GLN 16 -3.822 -0.518 12.735 104 HB3 GLN 16 2HB GLN 16 -4.207 1.901 12.239 105 HG3 GLN 16 2HG GLN 16 -2.603 2.789 14.067 106 HE21 GLN 16 1HE2 GLN 16 -3.246 2.364 16.376 107 HE22 GLN 16 2HE2 GLN 16 -4.876 1.867 16.652 108 H ALA 17 H ALA 17 -1.819 0.384 9.968 109 HA ALA 17 HA ALA 17 -3.897 0.586 8.075 110 HB1 ALA 17 1HB ALA 17 -1.792 1.544 7.544 111 HB2 ALA 17 2HB ALA 17 -0.960 0.004 7.767 112 HB3 ALA 17 3HB ALA 17 -2.056 0.225 6.403 113 H ILE 18 H ILE 18 -1.877 -2.131 9.099 114 HA ILE 18 HA ILE 18 -2.801 -3.977 7.172 115 HB ILE 18 HB ILE 18 -1.696 -4.523 9.930 116 HG13 ILE 18 2HG1 ILE 18 -0.294 -3.188 8.228 117 HG21 ILE 18 1HG2 ILE 18 -2.788 -6.266 7.933 118 HG22 ILE 18 2HG2 ILE 18 -1.072 -6.602 8.152 119 HG23 ILE 18 3HG2 ILE 18 -2.165 -6.657 9.535 120 HD11 ILE 18 3HD1 ILE 18 0.916 -5.791 9.118 121 HD12 ILE 18 1HD1 ILE 18 1.749 -4.275 8.774 122 HD13 ILE 18 2HD1 ILE 18 0.682 -4.397 10.173 123 H ALA 19 H ALA 19 -3.877 -3.216 10.457 124 HA ALA 19 HA ALA 19 -5.828 -5.263 10.624 125 HB1 ALA 19 1HB ALA 19 -6.546 -4.233 12.612 126 HB2 ALA 19 2HB ALA 19 -4.811 -3.927 12.531 127 HB3 ALA 19 3HB ALA 19 -5.951 -2.652 12.105 128 H LEU 20 H LEU 20 -5.893 -1.952 9.438 129 HA LEU 20 HA LEU 20 -8.728 -1.818 9.146 130 HB3 LEU 20 2HB LEU 20 -7.388 -0.066 7.331 131 HG LEU 20 HG LEU 20 -9.484 0.330 8.863 132 HD11 LEU 20 1HD1 LEU 20 -8.053 0.044 10.933 133 HD12 LEU 20 2HD1 LEU 20 -9.082 1.475 10.880 134 HD13 LEU 20 3HD1 LEU 20 -7.355 1.618 10.548 135 HD21 LEU 20 3HD2 LEU 20 -7.487 2.527 8.338 136 HD22 LEU 20 1HD2 LEU 20 -9.231 2.703 8.533 137 HD23 LEU 20 2HD2 LEU 20 -8.583 1.850 7.132 138 H LEU 21 H LEU 21 -6.082 -2.887 7.133 139 HA LEU 21 HA LEU 21 -7.614 -2.998 4.712 140 HB3 LEU 21 2HB LEU 21 -5.588 -4.581 4.114 141 HG LEU 21 HG LEU 21 -5.090 -1.643 4.597 142 HD11 LEU 21 1HD1 LEU 21 -3.606 -3.775 3.109 143 HD12 LEU 21 2HD1 LEU 21 -2.992 -2.563 4.233 144 HD13 LEU 21 3HD1 LEU 21 -3.502 -2.085 2.615 145 HD21 LEU 21 3HD2 LEU 21 -6.447 -1.223 2.894 146 HD22 LEU 21 1HD2 LEU 21 -6.880 -2.933 2.827 147 HD23 LEU 21 2HD2 LEU 21 -5.531 -2.327 1.866 148 H LYS 22 H LYS 22 -6.639 -5.309 7.199 149 HA LYS 22 HA LYS 22 -7.757 -7.579 5.870 150 HB3 LYS 22 2HB LYS 22 -5.914 -7.596 7.626 151 HG3 LYS 22 2HG LYS 22 -8.262 -7.445 9.506 152 HD3 LYS 22 2HD LYS 22 -5.528 -7.424 10.559 153 HE3 LYS 22 2HE LYS 22 -7.644 -9.359 11.355 154 HZ1 LYS 22 3HZ LYS 22 -6.870 -8.607 13.577 155 HZ2 LYS 22 1HZ LYS 22 -5.701 -7.655 12.810 156 HZ3 LYS 22 2HZ LYS 22 -5.664 -9.337 12.643 157 H ASP 23 H ASP 23 -9.149 -4.975 7.413 158 HA ASP 23 HA ASP 23 -11.534 -6.523 8.177 159 HB3 ASP 23 2HB ASP 23 -11.188 -3.666 8.975 160 H LYS 24 H LYS 24 -10.368 -4.871 5.643 161 HA LYS 24 HA LYS 24 -12.998 -3.751 4.928 162 HB3 LYS 24 2HB LYS 24 -11.116 -2.676 3.166 163 HG3 LYS 24 2HG LYS 24 -13.017 -1.719 4.997 164 HD3 LYS 24 2HD LYS 24 -11.554 0.427 5.529 165 HE3 LYS 24 2HE LYS 24 -10.826 -1.186 7.658 166 HZ1 LYS 24 3HZ LYS 24 -12.174 0.937 7.577 167 HZ2 LYS 24 1HZ LYS 24 -12.618 -0.193 8.755 168 HZ3 LYS 24 2HZ LYS 24 -13.535 -0.041 7.343 169 H ASP 25 H ASP 25 -12.967 -3.505 2.328 170 HA ASP 25 HA ASP 25 -13.119 -6.184 1.364 171 HB3 ASP 25 2HB ASP 25 -13.429 -4.790 -0.889 172 HA PRO 26 HA PRO 26 -9.130 -6.782 -0.365 173 HB3 PRO 26 2HB PRO 26 -9.797 -8.925 -0.852 174 HG3 PRO 26 2HG PRO 26 -11.973 -9.377 -1.540 175 HD3 PRO 26 2HD PRO 26 -12.405 -8.106 0.332 176 H GLY 27 H GLY 27 -7.743 -6.129 -2.036 177 HA2 GLY 27 2HA GLY 27 -7.156 -5.109 -4.059 178 HA3 GLY 27 3HA GLY 27 -8.858 -4.806 -4.374 179 H ALA 28 H ALA 28 -8.739 -3.755 -1.398 180 HA ALA 28 HA ALA 28 -8.529 -1.000 -2.161 181 HB1 ALA 28 1HB ALA 28 -9.633 -0.555 -0.250 182 HB2 ALA 28 2HB ALA 28 -9.951 -2.290 -0.264 183 HB3 ALA 28 3HB ALA 28 -8.629 -1.643 0.709 184 H PHE 29 H PHE 29 -7.064 0.547 -1.372 185 HA PHE 29 HA PHE 29 -4.636 -0.485 -0.087 186 HB3 PHE 29 2HB PHE 29 -4.382 -0.295 -2.614 187 HD1 PHE 29 1HD PHE 29 -6.549 1.230 -3.118 188 HD2 PHE 29 2HD PHE 29 -2.614 2.655 -2.346 189 HE1 PHE 29 1HE PHE 29 -7.077 3.320 -4.305 190 HE2 PHE 29 2HE PHE 29 -3.136 4.747 -3.530 191 HZ PHE 29 HZ PHE 29 -5.369 5.082 -4.511 192 H LEU 30 H LEU 30 -3.284 1.222 0.854 193 HA LEU 30 HA LEU 30 -4.595 3.787 1.294 194 HB3 LEU 30 2HB LEU 30 -5.302 2.061 3.056 195 HG LEU 30 HG LEU 30 -2.738 1.456 3.463 196 HD11 LEU 30 1HD1 LEU 30 -2.188 2.614 5.703 197 HD12 LEU 30 2HD1 LEU 30 -3.281 3.877 5.135 198 HD13 LEU 30 3HD1 LEU 30 -1.847 3.465 4.197 199 HD21 LEU 30 3HD2 LEU 30 -3.985 1.421 6.035 200 HD22 LEU 30 1HD2 LEU 30 -3.722 0.091 4.909 201 HD23 LEU 30 2HD2 LEU 30 -5.189 1.064 4.796 202 H ILE 31 H ILE 31 -3.172 5.314 2.483 203 HA ILE 31 HA ILE 31 -0.322 4.671 2.108 204 HB ILE 31 HB ILE 31 -1.646 7.314 1.488 205 HG13 ILE 31 2HG1 ILE 31 -1.964 5.362 -0.139 206 HG21 ILE 31 1HG2 ILE 31 0.538 7.717 2.363 207 HG22 ILE 31 2HG2 ILE 31 1.232 6.438 1.368 208 HG23 ILE 31 3HG2 ILE 31 0.619 7.908 0.612 209 HD11 ILE 31 3HD1 ILE 31 -1.492 8.055 -0.658 210 HD12 ILE 31 1HD1 ILE 31 -0.509 7.174 -1.827 211 HD13 ILE 31 2HD1 ILE 31 -2.244 6.872 -1.728 212 H ARG 32 H ARG 32 1.075 5.369 3.665 213 HA ARG 32 HA ARG 32 0.064 7.104 5.793 214 HB3 ARG 32 2HB ARG 32 -0.290 4.679 6.416 215 HG3 ARG 32 2HG ARG 32 2.540 4.434 7.184 216 HD3 ARG 32 2HD ARG 32 0.248 2.688 6.442 217 HE ARG 32 HE ARG 32 1.666 1.291 5.329 218 HH11 ARG 32 1HH1 ARG 32 3.380 2.728 7.997 219 HH12 ARG 32 2HH1 ARG 32 4.804 1.768 7.768 220 HH21 ARG 32 1HH2 ARG 32 3.535 0.023 5.017 221 HH22 ARG 32 2HH2 ARG 32 4.893 0.231 6.072 222 H ASP 33 H ASP 33 1.835 7.794 7.285 223 HA ASP 33 HA ASP 33 4.045 8.746 5.772 224 HB3 ASP 33 2HB ASP 33 3.849 8.761 8.781 225 H SER 34 H SER 34 5.838 7.691 5.278 226 HA SER 34 HA SER 34 6.515 5.232 6.653 227 HB3 SER 34 2HB SER 34 8.205 6.440 4.489 228 HG SER 34 HG SER 34 7.385 3.795 5.117 229 H HIS 35 H HIS 35 7.192 5.933 8.688 230 HA HIS 35 HA HIS 35 9.165 7.939 9.072 231 HB3 HIS 35 2HB HIS 35 9.054 5.961 11.202 232 HD1 HIS 35 1HD HIS 35 10.642 7.807 12.177 233 HD2 HIS 35 2HD HIS 35 6.746 9.054 11.454 234 HE1 HIS 35 1HE HIS 35 10.395 9.986 13.407 235 H SER 36 H SER 36 9.360 4.780 7.933 236 HA SER 36 HA SER 36 11.682 3.746 9.007 237 HB3 SER 36 2HB SER 36 11.773 3.155 6.245 238 HG SER 36 HG SER 36 11.979 1.435 7.478 239 H PHE 37 H PHE 37 11.447 5.707 6.035 240 HA PHE 37 HA PHE 37 14.081 6.834 6.639 241 HB3 PHE 37 2HB PHE 37 14.205 6.570 3.907 242 HD1 PHE 37 2HD PHE 37 14.573 3.848 6.430 243 HD2 PHE 37 1HD PHE 37 16.499 6.635 3.854 244 HE1 PHE 37 2HE PHE 37 16.759 2.907 7.052 245 HE2 PHE 37 1HE PHE 37 18.689 5.698 4.471 246 HZ PHE 37 HZ PHE 37 18.821 3.832 6.072 247 H GLN 38 H GLN 38 14.550 8.796 5.414 248 HA GLN 38 HA GLN 38 12.329 10.548 5.353 249 HB3 GLN 38 2HB GLN 38 14.074 12.087 4.192 250 HG3 GLN 38 2HG GLN 38 15.330 11.339 6.704 251 HE21 GLN 38 1HE2 GLN 38 16.040 13.178 4.862 252 HE22 GLN 38 2HE2 GLN 38 15.700 14.772 5.434 253 H GLY 39 H GLY 39 11.280 11.541 3.634 254 HA2 GLY 39 2HA GLY 39 10.335 11.674 1.547 255 HA3 GLY 39 3HA GLY 39 11.919 11.240 0.922 256 H ALA 40 H ALA 40 9.830 9.301 3.013 257 HA ALA 40 HA ALA 40 9.460 7.412 0.784 258 HB1 ALA 40 1HB ALA 40 11.163 6.452 2.143 259 HB2 ALA 40 2HB ALA 40 10.252 6.774 3.618 260 HB3 ALA 40 3HB ALA 40 9.671 5.569 2.469 261 H TYR 41 H TYR 41 7.536 6.217 0.788 262 HA TYR 41 HA TYR 41 5.502 7.097 2.729 263 HB3 TYR 41 2HB TYR 41 3.905 6.744 0.675 264 HD1 TYR 41 2HD TYR 41 6.589 9.176 -0.060 265 HD2 TYR 41 1HD TYR 41 2.778 8.552 1.729 266 HE1 TYR 41 2HE TYR 41 6.300 11.609 0.161 267 HE2 TYR 41 1HE TYR 41 2.480 10.984 1.954 268 HH TYR 41 HH TYR 41 4.798 13.254 0.585 269 H GLY 42 H GLY 42 4.317 5.523 3.641 270 HA2 GLY 42 2HA GLY 42 4.956 2.771 2.944 271 HA3 GLY 42 3HA GLY 42 4.050 3.309 4.351 272 H LEU 43 H LEU 43 3.848 1.864 1.335 273 HA LEU 43 HA LEU 43 1.018 2.540 0.988 274 HB3 LEU 43 2HB LEU 43 2.942 1.058 -0.798 275 HG LEU 43 HG LEU 43 0.620 0.324 -1.246 276 HD11 LEU 43 1HD1 LEU 43 -1.041 1.780 -1.080 277 HD12 LEU 43 2HD1 LEU 43 -0.427 2.602 -2.513 278 HD13 LEU 43 3HD1 LEU 43 0.097 3.117 -0.910 279 HD21 LEU 43 3HD2 LEU 43 2.402 0.589 -3.017 280 HD22 LEU 43 1HD2 LEU 43 1.626 2.114 -3.444 281 HD23 LEU 43 2HD2 LEU 43 0.735 0.600 -3.593 282 H ALA 44 H ALA 44 -0.578 1.139 1.413 283 HA ALA 44 HA ALA 44 0.176 -1.620 2.129 284 HB1 ALA 44 1HB ALA 44 -0.824 0.161 3.860 285 HB2 ALA 44 2HB ALA 44 -2.330 -0.504 3.225 286 HB3 ALA 44 3HB ALA 44 -1.139 -1.571 3.968 287 H LEU 45 H LEU 45 -0.896 -3.269 1.187 288 HA LEU 45 HA LEU 45 -3.254 -2.634 -0.452 289 HB3 LEU 45 2HB LEU 45 -0.954 -4.417 -1.240 290 HG LEU 45 HG LEU 45 -2.065 -4.226 -3.554 291 HD11 LEU 45 1HD1 LEU 45 -3.027 -6.321 -3.286 292 HD12 LEU 45 2HD1 LEU 45 -3.559 -5.977 -1.640 293 HD13 LEU 45 3HD1 LEU 45 -1.850 -6.251 -1.975 294 HD21 LEU 45 3HD2 LEU 45 -3.834 -2.630 -2.349 295 HD22 LEU 45 1HD2 LEU 45 -4.655 -4.176 -2.124 296 HD23 LEU 45 2HD2 LEU 45 -4.242 -3.626 -3.749 297 H LYS 46 H LYS 46 -4.928 -3.987 -0.215 298 HA LYS 46 HA LYS 46 -4.568 -6.297 1.548 299 HB3 LYS 46 2HB LYS 46 -7.039 -4.797 0.666 300 HG3 LYS 46 2HG LYS 46 -7.549 -7.192 1.021 301 HD3 LYS 46 2HD LYS 46 -6.650 -6.644 3.851 302 HE3 LYS 46 2HE LYS 46 -7.159 -8.965 4.259 303 HZ1 LYS 46 3HZ LYS 46 -9.330 -8.614 4.562 304 HZ2 LYS 46 1HZ LYS 46 -9.631 -8.326 2.923 305 HZ3 LYS 46 2HZ LYS 46 -9.050 -7.080 3.907 306 H VAL 47 H VAL 47 -4.868 -8.351 0.897 307 HA VAL 47 HA VAL 47 -5.351 -8.798 -1.950 308 HB VAL 47 HB VAL 47 -4.480 -11.020 -1.621 309 HG11 VAL 47 1HG1 VAL 47 -2.310 -10.404 -1.463 310 HG12 VAL 47 2HG1 VAL 47 -3.005 -8.782 -1.478 311 HG13 VAL 47 3HG1 VAL 47 -2.553 -9.536 0.052 312 HG21 VAL 47 3HG2 VAL 47 -3.535 -11.291 0.904 313 HG22 VAL 47 1HG2 VAL 47 -5.042 -10.425 1.202 314 HG23 VAL 47 2HG2 VAL 47 -5.066 -11.962 0.340 315 H ALA 48 H ALA 48 -6.702 -10.651 -2.597 316 HA ALA 48 HA ALA 48 -9.106 -10.797 -0.911 317 HB1 ALA 48 1HB ALA 48 -10.392 -10.843 -2.781 318 HB2 ALA 48 2HB ALA 48 -9.000 -9.987 -3.444 319 HB3 ALA 48 3HB ALA 48 -9.187 -11.719 -3.725 320 H THR 49 H THR 49 -6.553 -12.471 -0.847 321 HA THR 49 HA THR 49 -7.690 -14.900 -0.088 322 HB THR 49 HB THR 49 -8.205 -15.567 -2.251 323 HG1 THR 49 1HG THR 49 -6.451 -17.064 -2.834 324 HG21 THR 49 3HG2 THR 49 -7.437 -14.055 -3.767 325 HG22 THR 49 1HG2 THR 49 -6.223 -15.306 -4.031 326 HG23 THR 49 2HG2 THR 49 -5.855 -13.924 -2.999 327 HA PRO 50 HA PRO 50 -3.672 -15.256 1.666 328 HB3 PRO 50 2HB PRO 50 -4.613 -16.713 3.173 329 HG3 PRO 50 2HG PRO 50 -6.301 -18.178 2.532 330 HD3 PRO 50 2HD PRO 50 -7.146 -16.206 1.689 331 HA PRO 51 HA PRO 51 -0.749 -16.750 -1.259 332 HB3 PRO 51 2HB PRO 51 0.909 -16.023 0.156 333 HG3 PRO 51 2HG PRO 51 0.706 -16.258 2.461 334 HD3 PRO 51 2HD PRO 51 -1.327 -15.286 1.980 335 HA PRO 52 HA PRO 52 -1.146 -21.047 -2.106 336 HB3 PRO 52 2HB PRO 52 0.050 -20.690 -4.034 337 HG3 PRO 52 2HG PRO 52 1.854 -19.223 -4.073 338 HD3 PRO 52 2HD PRO 52 0.273 -17.880 -3.069 339 H SER 53 H SER 53 -1.230 -21.551 0.230 340 HA SER 53 HA SER 53 0.463 -23.669 0.910 341 HB3 SER 53 2HB SER 53 1.116 -21.775 2.994 342 HG SER 53 HG SER 53 2.155 -23.858 2.028 343 H ALA 54 H ALA 54 -1.008 -20.979 2.737 344 HA ALA 54 HA ALA 54 -2.580 -20.942 4.385 345 HB1 ALA 54 1HB ALA 54 -4.484 -22.572 4.087 346 HB2 ALA 54 2HB ALA 54 -4.130 -21.539 2.702 347 HB3 ALA 54 3HB ALA 54 -3.598 -23.221 2.706 348 H GLN 55 H GLN 55 -0.549 -21.727 5.628 349 HA GLN 55 HA GLN 55 -1.368 -23.473 7.643 350 HB3 GLN 55 2HB GLN 55 0.777 -25.051 6.711 351 HG3 GLN 55 2HG GLN 55 -1.841 -26.174 6.155 352 HE21 GLN 55 1HE2 GLN 55 -0.890 -26.700 9.307 353 HE22 GLN 55 2HE2 GLN 55 0.059 -28.124 9.065 354 HA PRO 56 HA PRO 56 3.335 -22.572 8.224 355 HB3 PRO 56 2HB PRO 56 4.519 -23.194 6.356 356 HG3 PRO 56 2HG PRO 56 3.609 -22.966 4.228 357 HD3 PRO 56 2HD PRO 56 1.876 -24.057 5.286 358 H TRP 57 H TRP 57 4.394 -20.664 8.931 359 HA TRP 57 HA TRP 57 2.889 -18.188 8.390 360 HB3 TRP 57 2HB TRP 57 3.512 -17.474 10.681 361 HD1 TRP 57 HD TRP 57 0.765 -18.182 9.514 362 HE1 TRP 57 1HE TRP 57 -0.974 -19.522 10.857 363 HE3 TRP 57 3HE TRP 57 3.895 -20.446 12.863 364 HZ2 TRP 57 2HZ TRP 57 -1.014 -21.303 13.048 365 HZ3 TRP 57 3HZ TRP 57 2.927 -21.952 14.550 366 HH2 TRP 57 HH TRP 57 0.523 -22.370 14.640 367 H LYS 58 H LYS 58 4.072 -17.001 7.032 368 HA LYS 58 HA LYS 58 6.983 -16.895 7.395 369 HB3 LYS 58 2HB LYS 58 6.838 -15.690 5.119 370 HG3 LYS 58 2HG LYS 58 5.845 -18.254 4.358 371 HD3 LYS 58 2HD LYS 58 8.752 -17.682 4.598 372 HE3 LYS 58 2HE LYS 58 7.770 -19.659 3.396 373 HZ1 LYS 58 3HZ LYS 58 6.386 -17.564 2.021 374 HZ2 LYS 58 1HZ LYS 58 6.078 -19.228 2.041 375 HZ3 LYS 58 2HZ LYS 58 7.208 -18.590 0.957 376 H GLY 59 H GLY 59 6.507 -15.529 9.338 377 HA2 GLY 59 2HA GLY 59 7.247 -13.272 9.863 378 HA3 GLY 59 3HA GLY 59 6.292 -12.708 8.499 379 H ASP 60 H ASP 60 3.866 -13.608 8.772 380 HA ASP 60 HA ASP 60 2.855 -13.650 11.433 381 HB3 ASP 60 2HB ASP 60 1.493 -11.391 10.662 382 HA PRO 61 HA PRO 61 -0.644 -15.373 9.430 383 HB3 PRO 61 2HB PRO 61 -1.510 -15.805 11.514 384 HG3 PRO 61 2HG PRO 61 -1.256 -14.285 13.256 385 HD3 PRO 61 2HD PRO 61 0.927 -14.423 12.527 386 H VAL 62 H VAL 62 -1.330 -12.034 10.488 387 HA VAL 62 HA VAL 62 -3.235 -11.605 8.385 388 HB VAL 62 HB VAL 62 -3.505 -10.431 10.494 389 HG11 VAL 62 1HG1 VAL 62 -0.860 -9.149 9.826 390 HG12 VAL 62 2HG1 VAL 62 -1.939 -8.609 11.114 391 HG13 VAL 62 3HG1 VAL 62 -1.210 -10.215 11.186 392 HG21 VAL 62 3HG2 VAL 62 -2.850 -8.575 8.206 393 HG22 VAL 62 1HG2 VAL 62 -4.399 -9.359 8.516 394 HG23 VAL 62 2HG2 VAL 62 -3.791 -8.137 9.633 395 H GLU 63 H GLU 63 0.174 -11.135 8.800 396 HA GLU 63 HA GLU 63 0.695 -9.143 6.930 397 HB3 GLU 63 2HB GLU 63 2.855 -10.792 6.648 398 HG3 GLU 63 2HG GLU 63 2.390 -9.075 9.074 399 H GLN 64 H GLN 64 -0.229 -12.449 6.478 400 HA GLN 64 HA GLN 64 0.634 -12.639 3.750 401 HB3 GLN 64 2HB GLN 64 -0.430 -14.768 3.721 402 HG3 GLN 64 2HG GLN 64 0.492 -14.323 6.551 403 HE21 GLN 64 1HE2 GLN 64 2.047 -16.773 5.027 404 HE22 GLN 64 2HE2 GLN 64 1.116 -18.112 5.596 405 H LEU 65 H LEU 65 -2.188 -11.486 5.393 406 HA LEU 65 HA LEU 65 -3.789 -11.463 2.962 407 HB3 LEU 65 2HB LEU 65 -5.392 -10.223 4.618 408 HG LEU 65 HG LEU 65 -4.770 -13.153 4.988 409 HD11 LEU 65 1HD1 LEU 65 -5.961 -12.719 6.898 410 HD12 LEU 65 2HD1 LEU 65 -7.270 -13.040 5.762 411 HD13 LEU 65 3HD1 LEU 65 -6.849 -11.378 6.175 412 HD21 LEU 65 3HD2 LEU 65 -6.969 -13.266 3.648 413 HD22 LEU 65 1HD2 LEU 65 -5.477 -12.892 2.788 414 HD23 LEU 65 2HD2 LEU 65 -6.605 -11.600 3.198 415 H VAL 66 H VAL 66 -1.945 -9.292 4.976 416 HA VAL 66 HA VAL 66 -2.613 -7.087 3.137 417 HB VAL 66 HB VAL 66 -1.886 -6.876 6.062 418 HG11 VAL 66 1HG1 VAL 66 -1.837 -4.952 3.882 419 HG12 VAL 66 2HG1 VAL 66 -2.853 -4.433 5.228 420 HG13 VAL 66 3HG1 VAL 66 -1.159 -4.840 5.506 421 HG21 VAL 66 3HG2 VAL 66 -4.458 -6.816 4.572 422 HG22 VAL 66 1HG2 VAL 66 -4.089 -7.473 6.167 423 HG23 VAL 66 2HG2 VAL 66 -4.268 -5.732 5.949 424 H ARG 67 H ARG 67 -0.968 -6.383 1.956 425 HA ARG 67 HA ARG 67 1.767 -7.000 2.850 426 HB3 ARG 67 2HB ARG 67 2.203 -6.448 0.308 427 HG3 ARG 67 2HG ARG 67 0.919 -8.974 0.132 428 HD3 ARG 67 2HD ARG 67 3.634 -7.837 0.103 429 HE ARG 67 HE ARG 67 3.442 -10.126 1.556 430 HH11 ARG 67 1HH1 ARG 67 4.789 -9.323 -1.551 431 HH12 ARG 67 2HH1 ARG 67 6.025 -10.535 -1.475 432 HH21 ARG 67 1HH2 ARG 67 5.064 -11.726 1.669 433 HH22 ARG 67 2HH2 ARG 67 6.180 -11.901 0.357 434 H HIS 68 H HIS 68 2.913 -5.350 3.590 435 HA HIS 68 HA HIS 68 2.259 -2.639 2.641 436 HB3 HIS 68 2HB HIS 68 1.789 -2.705 4.959 437 HD1 HIS 68 1HD HIS 68 5.443 -3.277 5.612 438 HD2 HIS 68 2HD HIS 68 1.789 -5.117 6.328 439 HE1 HIS 68 1HE HIS 68 5.934 -5.133 7.236 440 H PHE 69 H PHE 69 3.761 -1.605 1.510 441 HA PHE 69 HA PHE 69 6.574 -2.400 1.831 442 HB3 PHE 69 2HB PHE 69 6.777 -1.933 -0.685 443 HD1 PHE 69 2HD PHE 69 7.833 -3.983 0.805 444 HD2 PHE 69 1HD PHE 69 4.233 -4.069 -1.464 445 HE1 PHE 69 2HE PHE 69 8.012 -6.429 0.620 446 HE2 PHE 69 1HE PHE 69 4.406 -6.516 -1.652 447 HZ PHE 69 HZ PHE 69 6.298 -7.700 -0.610 448 H LEU 70 H LEU 70 8.103 -0.771 1.576 449 HA LEU 70 HA LEU 70 7.017 1.940 1.786 450 HB3 LEU 70 2HB LEU 70 8.502 1.135 3.570 451 HG LEU 70 HG LEU 70 10.130 0.038 1.651 452 HD11 LEU 70 1HD1 LEU 70 12.134 1.222 1.496 453 HD12 LEU 70 2HD1 LEU 70 11.697 2.319 2.805 454 HD13 LEU 70 3HD1 LEU 70 10.894 2.449 1.241 455 HD21 LEU 70 3HD2 LEU 70 11.715 -0.278 3.575 456 HD22 LEU 70 1HD2 LEU 70 10.048 -0.762 3.888 457 HD23 LEU 70 2HD2 LEU 70 10.658 0.765 4.526 458 H ILE 71 H ILE 71 7.124 3.286 0.123 459 HA ILE 71 HA ILE 71 8.926 2.638 -2.102 460 HB ILE 71 HB ILE 71 6.641 4.604 -2.139 461 HG13 ILE 71 2HG1 ILE 71 6.679 1.647 -2.386 462 HG21 ILE 71 1HG2 ILE 71 8.022 3.177 -4.405 463 HG22 ILE 71 2HG2 ILE 71 6.814 4.456 -4.524 464 HG23 ILE 71 3HG2 ILE 71 8.414 4.813 -3.874 465 HD11 ILE 71 3HD1 ILE 71 5.018 1.805 -0.944 466 HD12 ILE 71 1HD1 ILE 71 5.189 3.560 -0.958 467 HD13 ILE 71 2HD1 ILE 71 4.085 2.772 -2.086 468 H GLU 72 H GLU 72 10.505 3.994 -2.757 469 HA GLU 72 HA GLU 72 10.812 6.511 -1.256 470 HB3 GLU 72 2HB GLU 72 13.219 5.491 -2.562 471 HG3 GLU 72 2HG GLU 72 13.084 5.692 0.366 472 H THR 73 H THR 73 10.958 8.372 -2.353 473 HA THR 73 HA THR 73 11.185 8.217 -5.288 474 HB THR 73 HB THR 73 8.955 8.913 -4.768 475 HG1 THR 73 1HG THR 73 10.227 10.154 -6.378 476 HG21 THR 73 3HG2 THR 73 8.435 10.792 -3.329 477 HG22 THR 73 1HG2 THR 73 10.150 11.085 -3.042 478 HG23 THR 73 2HG2 THR 73 9.391 9.613 -2.433 479 H GLY 74 H GLY 74 12.730 9.401 -6.246 480 HA2 GLY 74 2HA GLY 74 13.926 11.647 -4.791 481 HA3 GLY 74 3HA GLY 74 14.981 10.325 -5.272 482 HA PRO 75 HA PRO 75 14.919 13.494 -8.669 483 HB3 PRO 75 2HB PRO 75 16.733 14.599 -7.794 484 HG3 PRO 75 2HG PRO 75 18.212 13.527 -6.355 485 HD3 PRO 75 2HD PRO 75 16.212 12.984 -5.346 486 H LYS 76 H LYS 76 15.873 10.285 -8.215 487 HA LYS 76 HA LYS 76 16.511 9.940 -11.066 488 HB3 LYS 76 2HB LYS 76 17.531 7.820 -10.454 489 HG3 LYS 76 2HG LYS 76 18.628 9.476 -8.272 490 HD3 LYS 76 2HD LYS 76 19.886 8.273 -10.735 491 HE3 LYS 76 2HE LYS 76 21.051 10.119 -9.339 492 HZ1 LYS 76 3HZ LYS 76 22.279 9.194 -7.447 493 HZ2 LYS 76 1HZ LYS 76 21.371 7.770 -7.550 494 HZ3 LYS 76 2HZ LYS 76 20.611 9.229 -7.161 495 H GLY 77 H GLY 77 13.920 9.857 -9.119 496 HA2 GLY 77 2HA GLY 77 11.844 9.110 -10.220 497 HA3 GLY 77 3HA GLY 77 12.695 7.626 -10.622 498 H VAL 78 H VAL 78 10.404 7.180 -9.468 499 HA VAL 78 HA VAL 78 10.984 6.734 -6.612 500 HB VAL 78 HB VAL 78 9.042 8.185 -6.969 501 HG11 VAL 78 1HG1 VAL 78 7.681 5.858 -8.304 502 HG12 VAL 78 2HG1 VAL 78 7.110 7.522 -8.153 503 HG13 VAL 78 3HG1 VAL 78 8.473 7.149 -9.209 504 HG21 VAL 78 3HG2 VAL 78 7.588 7.112 -5.464 505 HG22 VAL 78 1HG2 VAL 78 8.033 5.509 -6.049 506 HG23 VAL 78 2HG2 VAL 78 9.184 6.452 -5.104 507 H LYS 79 H LYS 79 11.133 4.704 -5.908 508 HA LYS 79 HA LYS 79 10.029 2.549 -7.583 509 HB3 LYS 79 2HB LYS 79 12.541 2.811 -7.773 510 HG3 LYS 79 2HG LYS 79 12.939 1.334 -5.271 511 HD3 LYS 79 2HD LYS 79 14.598 2.276 -7.109 512 HE3 LYS 79 2HE LYS 79 13.654 4.650 -6.052 513 HZ1 LYS 79 3HZ LYS 79 15.833 3.742 -4.453 514 HZ2 LYS 79 1HZ LYS 79 14.846 5.102 -4.251 515 HZ3 LYS 79 2HZ LYS 79 16.213 5.190 -5.243 516 H ILE 80 H ILE 80 9.200 0.766 -6.507 517 HA ILE 80 HA ILE 80 8.549 1.236 -3.703 518 HB ILE 80 HB ILE 80 7.525 -0.958 -5.504 519 HG13 ILE 80 2HG1 ILE 80 6.717 1.891 -5.176 520 HG21 ILE 80 1HG2 ILE 80 7.218 -0.382 -2.719 521 HG22 ILE 80 2HG2 ILE 80 5.660 -0.225 -3.529 522 HG23 ILE 80 3HG2 ILE 80 6.572 -1.730 -3.654 523 HD11 ILE 80 3HD1 ILE 80 5.806 1.402 -7.513 524 HD12 ILE 80 1HD1 ILE 80 7.555 1.469 -7.301 525 HD13 ILE 80 2HD1 ILE 80 6.740 -0.091 -7.415 526 H LYS 81 H LYS 81 9.725 0.351 -2.151 527 HA LYS 81 HA LYS 81 11.696 -1.641 -2.657 528 HB3 LYS 81 2HB LYS 81 10.782 -1.094 0.124 529 HG3 LYS 81 2HG LYS 81 12.919 -2.369 -0.655 530 HD3 LYS 81 2HD LYS 81 13.834 0.507 -0.756 531 HE3 LYS 81 2HE LYS 81 15.367 -2.076 -1.049 532 HZ1 LYS 81 3HZ LYS 81 15.922 0.414 -2.110 533 HZ2 LYS 81 1HZ LYS 81 16.977 -0.903 -1.986 534 HZ3 LYS 81 2HZ LYS 81 16.933 0.263 -0.762 535 H GLY 82 H GLY 82 11.194 -3.696 -3.058 536 HA2 GLY 82 2HA GLY 82 10.118 -5.449 -1.232 537 HA3 GLY 82 3HA GLY 82 8.749 -4.895 -2.184 538 H CYS 83 H CYS 83 10.500 -4.592 -4.583 539 HA CYS 83 HA CYS 83 11.117 -7.393 -5.176 540 HB3 CYS 83 2HB CYS 83 8.913 -7.255 -6.025 541 HG CYS 83 HG CYS 83 9.495 -4.064 -6.416 542 HA PRO 84 HA PRO 84 14.617 -5.797 -7.284 543 HB3 PRO 84 2HB PRO 84 15.282 -7.974 -7.594 544 HG3 PRO 84 2HG PRO 84 13.735 -9.647 -8.052 545 HD3 PRO 84 2HD PRO 84 12.737 -8.677 -6.215 546 H SER 85 H SER 85 11.585 -6.017 -8.843 547 HA SER 85 HA SER 85 12.090 -5.257 -11.447 548 HB3 SER 85 2HB SER 85 9.813 -3.887 -11.000 549 HG SER 85 HG SER 85 9.765 -5.658 -12.298 550 H GLU 86 H GLU 86 10.899 -2.890 -9.077 551 HA GLU 86 HA GLU 86 11.252 -0.646 -8.889 552 HB3 GLU 86 2HB GLU 86 13.619 0.047 -8.817 553 HG3 GLU 86 2HG GLU 86 13.393 -2.678 -7.578 554 HA PRO 87 HA PRO 87 11.229 -0.102 -13.527 555 HB3 PRO 87 2HB PRO 87 9.051 -0.806 -13.715 556 HG3 PRO 87 2HG PRO 87 7.606 -0.738 -11.893 557 HD3 PRO 87 2HD PRO 87 9.405 -1.811 -10.933 558 H TYR 88 H TYR 88 11.434 1.718 -10.813 559 HA TYR 88 HA TYR 88 11.548 3.966 -10.332 560 HB3 TYR 88 2HB TYR 88 13.726 3.810 -11.118 561 HD1 TYR 88 2HD TYR 88 12.643 4.797 -14.475 562 HD2 TYR 88 1HD TYR 88 14.234 1.649 -12.097 563 HE1 TYR 88 2HE TYR 88 13.261 3.573 -16.518 564 HE2 TYR 88 1HE TYR 88 14.857 0.417 -14.132 565 HH TYR 88 HH TYR 88 13.912 0.438 -16.656 566 H PHE 89 H PHE 89 9.273 4.387 -10.630 567 HA PHE 89 HA PHE 89 8.331 5.387 -13.157 568 HB3 PHE 89 2HB PHE 89 6.291 6.015 -11.733 569 HD1 PHE 89 2HD PHE 89 6.410 4.489 -14.003 570 HD2 PHE 89 1HD PHE 89 6.403 3.078 -9.987 571 HE1 PHE 89 2HE PHE 89 5.518 2.327 -14.768 572 HE2 PHE 89 1HE PHE 89 5.512 0.913 -10.746 573 HZ PHE 89 HZ PHE 89 5.068 0.536 -13.138 574 H GLY 90 H GLY 90 6.925 7.564 -12.832 575 HA2 GLY 90 2HA GLY 90 8.897 9.626 -12.557 576 HA3 GLY 90 3HA GLY 90 7.198 9.854 -12.946 577 H SER 91 H SER 91 5.736 9.229 -10.948 578 HA SER 91 HA SER 91 6.929 10.146 -8.447 579 HB3 SER 91 2HB SER 91 4.389 11.458 -8.752 580 HG SER 91 HG SER 91 6.532 13.092 -8.823 581 H LEU 92 H LEU 92 4.964 10.251 -6.755 582 HA LEU 92 HA LEU 92 4.196 7.646 -6.248 583 HB3 LEU 92 2HB LEU 92 2.312 8.865 -4.875 584 HG LEU 92 HG LEU 92 5.205 9.392 -4.192 585 HD11 LEU 92 1HD1 LEU 92 4.469 9.695 -1.949 586 HD12 LEU 92 2HD1 LEU 92 2.816 9.244 -2.365 587 HD13 LEU 92 3HD1 LEU 92 3.497 10.754 -2.971 588 HD21 LEU 92 3HD2 LEU 92 4.593 7.357 -2.635 589 HD22 LEU 92 1HD2 LEU 92 5.167 7.108 -4.285 590 HD23 LEU 92 2HD2 LEU 92 3.442 7.009 -3.927 591 H SER 93 H SER 93 2.529 10.137 -8.082 592 HA SER 93 HA SER 93 0.064 8.747 -8.334 593 HB3 SER 93 2HB SER 93 -0.254 10.360 -10.304 594 HG SER 93 HG SER 93 -0.908 11.782 -8.876 595 H ALA 94 H ALA 94 3.036 8.815 -10.200 596 HA ALA 94 HA ALA 94 2.064 7.455 -12.483 597 HB1 ALA 94 1HB ALA 94 4.891 7.502 -11.437 598 HB2 ALA 94 2HB ALA 94 4.374 7.152 -13.087 599 HB3 ALA 94 3HB ALA 94 4.161 8.771 -12.423 600 H LEU 95 H LEU 95 3.723 6.325 -9.553 601 HA LEU 95 HA LEU 95 3.726 3.585 -10.341 602 HB3 LEU 95 2HB LEU 95 5.377 4.331 -8.793 603 HG LEU 95 HG LEU 95 3.801 6.084 -7.655 604 HD11 LEU 95 1HD1 LEU 95 2.183 5.118 -6.453 605 HD12 LEU 95 2HD1 LEU 95 3.449 4.818 -5.261 606 HD13 LEU 95 3HD1 LEU 95 3.007 3.559 -6.416 607 HD21 LEU 95 3HD2 LEU 95 5.303 5.470 -5.462 608 HD22 LEU 95 1HD2 LEU 95 5.872 6.386 -6.859 609 HD23 LEU 95 2HD2 LEU 95 6.189 4.654 -6.751 610 H VAL 96 H VAL 96 1.510 5.650 -8.613 611 HA VAL 96 HA VAL 96 -0.070 3.592 -7.455 612 HB VAL 96 HB VAL 96 -0.448 6.519 -7.919 613 HG11 VAL 96 1HG1 VAL 96 -2.612 5.778 -8.503 614 HG12 VAL 96 2HG1 VAL 96 -2.621 4.557 -7.228 615 HG13 VAL 96 3HG1 VAL 96 -2.714 6.269 -6.813 616 HG21 VAL 96 3HG2 VAL 96 -1.156 5.634 -5.320 617 HG22 VAL 96 1HG2 VAL 96 0.340 4.821 -5.780 618 HG23 VAL 96 2HG2 VAL 96 0.248 6.581 -5.811 619 H SER 97 H SER 97 -0.314 5.467 -10.448 620 HA SER 97 HA SER 97 -2.786 4.303 -11.265 621 HB3 SER 97 2HB SER 97 -1.633 5.212 -13.587 622 HG SER 97 HG SER 97 -2.901 7.005 -13.237 623 H GLN 98 H GLN 98 0.609 3.610 -11.904 624 HA GLN 98 HA GLN 98 0.097 1.615 -13.882 625 HB3 GLN 98 2HB GLN 98 2.506 1.025 -13.518 626 HG3 GLN 98 2HG GLN 98 3.297 3.557 -13.868 627 HE21 GLN 98 1HE2 GLN 98 1.495 3.912 -16.358 628 HE22 GLN 98 2HE2 GLN 98 2.169 2.787 -17.484 629 H HIS 99 H HIS 99 0.361 1.644 -10.410 630 HA HIS 99 HA HIS 99 0.723 -1.166 -10.083 631 HB3 HIS 99 2HB HIS 99 -0.281 -0.469 -7.707 632 HD1 HIS 99 1HD HIS 99 1.551 -0.413 -5.907 633 HD2 HIS 99 2HD HIS 99 2.988 0.037 -9.779 634 HE1 HIS 99 1HE HIS 99 4.044 -0.686 -5.735 635 H SER 100 H SER 100 -1.891 0.660 -11.089 636 HA SER 100 HA SER 100 -3.921 -1.085 -9.943 637 HB3 SER 100 2HB SER 100 -4.081 1.366 -11.704 638 HG SER 100 HG SER 100 -6.298 0.053 -10.553 639 H ILE 101 H ILE 101 -1.881 -1.155 -12.553 640 HA ILE 101 HA ILE 101 -3.706 -2.934 -14.029 641 HB ILE 101 HB ILE 101 -1.659 -1.095 -15.277 642 HG13 ILE 101 2HG1 ILE 101 -3.726 0.020 -14.358 643 HG21 ILE 101 1HG2 ILE 101 -1.978 -3.235 -16.456 644 HG22 ILE 101 2HG2 ILE 101 -3.703 -2.891 -16.576 645 HG23 ILE 101 3HG2 ILE 101 -2.537 -1.855 -17.400 646 HD11 ILE 101 3HD1 ILE 101 -2.484 0.510 -16.734 647 HD12 ILE 101 1HD1 ILE 101 -4.169 0.335 -17.221 648 HD13 ILE 101 2HD1 ILE 101 -3.723 1.526 -15.998 649 H SER 102 H SER 102 -0.380 -2.137 -13.173 650 HA SER 102 HA SER 102 0.362 -4.928 -13.767 651 HB3 SER 102 2HB SER 102 2.231 -2.554 -13.906 652 HG SER 102 HG SER 102 2.425 -5.292 -14.565 653 HA PRO 103 HA PRO 103 0.938 -4.175 -9.243 654 HB3 PRO 103 2HB PRO 103 -1.058 -5.211 -8.775 655 HG3 PRO 103 2HG PRO 103 -1.999 -6.730 -10.264 656 HD3 PRO 103 2HD PRO 103 -1.566 -4.982 -11.702 657 H ILE 104 H ILE 104 3.225 -4.254 -9.777 658 HA ILE 104 HA ILE 104 4.499 -6.835 -10.038 659 HB ILE 104 HB ILE 104 5.738 -4.106 -9.659 660 HG13 ILE 104 2HG1 ILE 104 4.431 -4.245 -11.724 661 HG21 ILE 104 1HG2 ILE 104 7.411 -5.981 -11.012 662 HG22 ILE 104 2HG2 ILE 104 7.703 -5.120 -9.501 663 HG23 ILE 104 3HG2 ILE 104 6.877 -6.678 -9.483 664 HD11 ILE 104 3HD1 ILE 104 5.998 -3.067 -12.734 665 HD12 ILE 104 1HD1 ILE 104 7.227 -3.760 -11.678 666 HD13 ILE 104 2HD1 ILE 104 6.814 -4.560 -13.195 667 H SER 105 H SER 105 5.177 -4.167 -7.774 668 HA SER 105 HA SER 105 6.340 -5.865 -5.836 669 HB3 SER 105 2HB SER 105 6.952 -3.927 -4.870 670 HG SER 105 HG SER 105 5.802 -2.056 -6.294 671 H LEU 106 H LEU 106 3.084 -4.989 -6.523 672 HA LEU 106 HA LEU 106 2.162 -5.962 -3.917 673 HB3 LEU 106 2HB LEU 106 -0.085 -5.168 -4.782 674 HG LEU 106 HG LEU 106 2.026 -3.019 -4.603 675 HD11 LEU 106 1HD1 LEU 106 -0.796 -2.579 -3.819 676 HD12 LEU 106 2HD1 LEU 106 -0.429 -2.626 -5.542 677 HD13 LEU 106 3HD1 LEU 106 0.383 -1.457 -4.500 678 HD21 LEU 106 3HD2 LEU 106 2.223 -3.903 -2.533 679 HD22 LEU 106 1HD2 LEU 106 0.647 -4.692 -2.599 680 HD23 LEU 106 2HD2 LEU 106 0.755 -2.969 -2.240 681 HA PRO 107 HA PRO 107 0.801 -9.842 -5.454 682 HB3 PRO 107 2HB PRO 107 0.160 -10.341 -3.305 683 HG3 PRO 107 2HG PRO 107 -0.775 -8.719 -1.925 684 HD3 PRO 107 2HD PRO 107 1.092 -7.586 -2.662 685 H CYS 108 H CYS 108 -1.635 -7.279 -5.343 686 HA CYS 108 HA CYS 108 -2.626 -8.154 -7.942 687 HB3 CYS 108 2HB CYS 108 -4.838 -7.391 -6.208 688 HG CYS 108 HG CYS 108 -6.109 -8.511 -8.152 689 H CYS 109 H CYS 109 -3.621 -6.520 -9.154 690 HA CYS 109 HA CYS 109 -2.610 -3.967 -8.918 691 HB3 CYS 109 2HB CYS 109 -3.537 -4.705 -11.006 692 HG CYS 109 HG CYS 109 -5.948 -5.955 -9.328 693 H LEU 110 H LEU 110 -3.316 -2.035 -8.076 694 HA LEU 110 HA LEU 110 -5.096 -2.225 -5.820 695 HB3 LEU 110 2HB LEU 110 -2.917 -0.827 -6.101 696 HG LEU 110 HG LEU 110 -4.114 0.562 -8.020 697 HD11 LEU 110 1HD1 LEU 110 -4.610 2.692 -6.209 698 HD12 LEU 110 2HD1 LEU 110 -5.579 1.306 -5.714 699 HD13 LEU 110 3HD1 LEU 110 -5.717 1.937 -7.354 700 HD21 LEU 110 3HD2 LEU 110 -2.139 1.329 -5.934 701 HD22 LEU 110 1HD2 LEU 110 -2.709 2.573 -7.049 702 HD23 LEU 110 2HD2 LEU 110 -1.927 1.120 -7.673 703 H ARG 111 H ARG 111 -7.133 -1.450 -5.632 704 HA ARG 111 HA ARG 111 -8.531 -0.780 -8.068 705 HB3 ARG 111 2HB ARG 111 -10.309 -0.468 -5.949 706 HG3 ARG 111 2HG ARG 111 -10.776 -1.720 -8.000 707 HD3 ARG 111 2HD ARG 111 -8.691 -3.497 -6.872 708 HE ARG 111 HE ARG 111 -10.017 -5.334 -7.088 709 HH11 ARG 111 1HH1 ARG 111 -10.945 -3.014 -9.513 710 HH12 ARG 111 2HH1 ARG 111 -12.101 -4.065 -10.262 711 HH21 ARG 111 1HH2 ARG 111 -11.537 -6.726 -8.065 712 HH22 ARG 111 2HH2 ARG 111 -12.438 -6.176 -9.437 713 H ILE 112 H ILE 112 -9.249 1.177 -8.689 714 HA ILE 112 HA ILE 112 -9.497 3.437 -8.783 715 HB ILE 112 HB ILE 112 -9.750 3.187 -5.784 716 HG13 ILE 112 2HG1 ILE 112 -12.180 3.309 -6.241 717 HG21 ILE 112 1HG2 ILE 112 -9.700 5.488 -7.540 718 HG22 ILE 112 2HG2 ILE 112 -11.211 5.381 -6.636 719 HG23 ILE 112 3HG2 ILE 112 -9.670 5.412 -5.778 720 HD11 ILE 112 3HD1 ILE 112 -12.131 2.464 -8.975 721 HD12 ILE 112 1HD1 ILE 112 -13.051 3.765 -8.219 722 HD13 ILE 112 2HD1 ILE 112 -11.421 4.071 -8.820 723 HA PRO 113 HA PRO 113 -5.026 4.032 -7.762 724 HB3 PRO 113 2HB PRO 113 -4.410 3.251 -9.833 725 HG3 PRO 113 2HG PRO 113 -5.891 3.302 -11.625 726 HD3 PRO 113 2HD PRO 113 -7.228 2.308 -10.031 727 H SER 114 H SER 114 -7.019 6.163 -9.819 728 HA SER 114 HA SER 114 -5.821 8.487 -8.488 729 HB3 SER 114 2HB SER 114 -5.709 9.199 -10.623 730 HG SER 114 HG SER 114 -6.049 7.465 -11.805 731 H LYS 115 H LYS 115 -9.035 7.979 -9.917 732 HA LYS 115 HA LYS 115 -10.272 8.581 -7.334 733 HB3 LYS 115 2HB LYS 115 -11.894 10.094 -8.700 734 HG3 LYS 115 2HG LYS 115 -9.107 10.974 -7.987 735 HD3 LYS 115 2HD LYS 115 -10.952 13.108 -7.838 736 HE3 LYS 115 2HE LYS 115 -8.666 12.537 -9.721 737 HZ1 LYS 115 3HZ LYS 115 -10.291 14.360 -10.390 738 HZ2 LYS 115 1HZ LYS 115 -8.654 14.777 -10.296 739 HZ3 LYS 115 2HZ LYS 115 -9.711 15.217 -9.051
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