NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
2933 | 1cur | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLY 1 H GLY 1 -3.201 -6.700 14.701 2 1HA GLY 1 HA2 GLY 1 -2.692 -6.836 17.277 3 2HA GLY 1 HA3 GLY 1 -3.805 -8.219 17.183 4 H THR 2 H THR 2 -3.219 -9.387 14.806 5 HA THR 2 HA THR 2 -0.735 -10.825 15.161 6 HB THR 2 HB THR 2 -1.553 -11.479 12.718 7 HG1 THR 2 HG1 THR 2 -3.783 -10.928 12.452 8 1HG2 THR 2 HG21 THR 2 -3.383 -11.964 15.125 9 2HG2 THR 2 HG22 THR 2 -3.334 -12.941 13.641 10 3HG2 THR 2 HG23 THR 2 -1.935 -12.912 14.728 11 H LEU 3 H LEU 3 -2.061 -8.807 12.670 12 HA LEU 3 HA LEU 3 0.497 -7.352 12.100 13 1HB LEU 3 HB2 LEU 3 -1.599 -8.563 10.316 14 2HB LEU 3 HB3 LEU 3 -0.961 -7.012 9.821 15 HG LEU 3 HG LEU 3 1.208 -7.811 9.507 16 1HD1 LEU 3 HD12 LEU 3 0.483 -10.353 11.002 17 2HD1 LEU 3 HD13 LEU 3 1.952 -10.132 10.026 18 3HD1 LEU 3 HD11 LEU 3 1.704 -9.122 11.443 19 1HD2 LEU 3 HD23 LEU 3 -0.474 -8.511 7.816 20 2HD2 LEU 3 HD21 LEU 3 0.905 -9.619 7.893 21 3HD2 LEU 3 HD22 LEU 3 -0.642 -10.072 8.642 22 H ASP 4 H ASP 4 -0.335 -5.182 10.911 23 HA ASP 4 HA ASP 4 -1.617 -3.771 13.043 24 1HB ASP 4 HB2 ASP 4 0.162 -2.834 11.526 25 2HB ASP 4 HB3 ASP 4 -1.060 -2.743 10.241 26 HD1 ASP 4 HD ASP 4 -2.873 -0.303 12.132 27 H THR 5 H THR 5 -3.764 -3.591 13.412 28 HA THR 5 HA THR 5 -5.701 -4.101 11.224 29 HB THR 5 HB THR 5 -7.068 -4.766 13.341 30 HG1 THR 5 HG1 THR 5 -5.393 -5.420 15.001 31 1HG2 THR 5 HG22 THR 5 -4.575 -6.374 12.581 32 2HG2 THR 5 HG23 THR 5 -5.976 -6.995 13.457 33 3HG2 THR 5 HG21 THR 5 -6.152 -6.445 11.785 34 H THR 6 H THR 6 -4.492 -1.416 11.737 35 HA THR 6 HA THR 6 -6.517 0.074 13.201 36 HB THR 6 HB THR 6 -4.269 1.245 11.460 37 HG1 THR 6 HG1 THR 6 -4.297 0.414 14.174 38 1HG2 THR 6 HG23 THR 6 -5.829 2.228 13.906 39 2HG2 THR 6 HG21 THR 6 -4.496 3.082 13.090 40 3HG2 THR 6 HG22 THR 6 -6.039 2.826 12.253 41 H TRP 7 H TRP 7 -8.128 -1.072 11.804 42 HA TRP 7 HA TRP 7 -8.563 -0.233 9.047 43 1HB TRP 7 HB2 TRP 7 -10.457 -1.596 11.025 44 2HB TRP 7 HB3 TRP 7 -10.584 -1.613 9.275 45 HD1 TRP 7 HD1 TRP 7 -10.678 -4.148 11.135 46 HE1 TRP 7 HE1 TRP 7 -9.163 -6.123 10.591 47 HE3 TRP 7 HE3 TRP 7 -6.919 -1.659 8.716 48 HZ2 TRP 7 HZ2 TRP 7 -6.704 -6.586 9.107 49 HZ3 TRP 7 HZ3 TRP 7 -5.146 -2.931 7.553 50 HH2 TRP 7 HH2 TRP 7 -5.061 -5.391 7.726 51 H LYS 8 H LYS 8 -9.950 1.410 8.306 52 HA LYS 8 HA LYS 8 -12.154 2.310 9.995 53 1HB LYS 8 HB2 LYS 8 -9.981 4.172 8.892 54 2HB LYS 8 HB3 LYS 8 -11.496 4.725 9.630 55 1HG LYS 8 HG2 LYS 8 -10.823 3.735 11.786 56 2HG LYS 8 HG3 LYS 8 -9.272 3.229 11.100 57 1HD LYS 8 HD2 LYS 8 -10.162 6.134 11.076 58 2HD LYS 8 HD3 LYS 8 -9.279 5.406 12.429 59 1HE LYS 8 HE2 LYS 8 -7.408 4.789 10.954 60 2HE LYS 8 HE3 LYS 8 -8.256 5.451 9.553 61 1HZ LYS 8 HZ3 LYS 8 -8.220 7.590 10.649 62 2HZ LYS 8 HZ1 LYS 8 -7.347 6.959 11.895 63 3HZ LYS 8 HZ2 LYS 8 -6.702 7.010 10.375 64 H GLU 9 H GLU 9 -13.492 3.984 8.553 65 HA GLU 9 HA GLU 9 -12.898 3.635 5.737 66 1HB GLU 9 HB2 GLU 9 -15.780 3.251 6.387 67 2HB GLU 9 HB3 GLU 9 -14.864 2.984 4.898 68 1HG GLU 9 HG2 GLU 9 -15.456 0.813 5.814 69 2HG GLU 9 HG3 GLU 9 -13.737 0.991 6.166 70 HE2 GLU 9 HE GLU 9 -14.360 0.349 9.470 71 H ALA 10 H ALA 10 -13.122 5.486 4.697 72 HA ALA 10 HA ALA 10 -14.544 7.805 5.947 73 1HB ALA 10 HB3 ALA 10 -12.057 8.001 5.449 74 2HB ALA 10 HB1 ALA 10 -12.440 7.755 3.728 75 3HB ALA 10 HB2 ALA 10 -13.082 9.165 4.626 76 H THR 11 H THR 11 -14.651 9.136 3.273 77 HA THR 11 HA THR 11 -16.213 7.284 1.601 78 HB THR 11 HB THR 11 -17.997 8.837 1.283 79 HG1 THR 11 HG1 THR 11 -16.476 10.531 2.987 80 1HG2 THR 11 HG21 THR 11 -18.232 7.389 3.289 81 2HG2 THR 11 HG22 THR 11 -17.551 8.687 4.295 82 3HG2 THR 11 HG23 THR 11 -19.081 8.936 3.441 83 H LEU 12 H LEU 12 -16.583 8.391 -0.576 84 HA LEU 12 HA LEU 12 -14.308 8.595 -1.914 85 1HB LEU 12 HB2 LEU 12 -16.515 8.453 -2.899 86 2HB LEU 12 HB3 LEU 12 -16.811 10.162 -2.651 87 HG LEU 12 HG LEU 12 -14.283 9.435 -4.114 88 1HD1 LEU 12 HD11 LEU 12 -17.038 9.118 -5.375 89 2HD1 LEU 12 HD12 LEU 12 -15.490 9.104 -6.246 90 3HD1 LEU 12 HD13 LEU 12 -15.857 7.821 -5.081 91 1HD2 LEU 12 HD22 LEU 12 -14.958 11.825 -3.803 92 2HD2 LEU 12 HD23 LEU 12 -14.926 11.368 -5.509 93 3HD2 LEU 12 HD21 LEU 12 -16.477 11.494 -4.658 94 HA PRO 13 HA PRO 13 -13.798 13.355 -1.850 95 1HB PRO 13 HB2 PRO 13 -14.679 14.690 0.473 96 2HB PRO 13 HB3 PRO 13 -15.493 14.668 -1.115 97 1HG PRO 13 HG2 PRO 13 -16.013 12.863 1.260 98 2HG PRO 13 HG3 PRO 13 -17.212 13.716 0.245 99 1HD PRO 13 HD2 PRO 13 -16.722 11.146 -0.179 100 2HD PRO 13 HD3 PRO 13 -16.796 12.232 -1.587 101 H GLN 14 H GLN 14 -13.627 11.397 1.167 102 HA GLN 14 HA GLN 14 -11.267 12.827 2.117 103 1HB GLN 14 HB2 GLN 14 -12.306 10.108 2.866 104 2HB GLN 14 HB3 GLN 14 -10.889 10.945 3.547 105 1HG GLN 14 HG2 GLN 14 -12.614 11.381 5.105 106 2HG GLN 14 HG3 GLN 14 -12.258 12.874 4.251 107 1HE2 GLN 14 HE21 GLN 14 -15.675 13.281 3.439 108 2HE2 GLN 14 HE22 GLN 14 -14.113 14.019 3.733 109 H VAL 15 H VAL 15 -11.915 10.219 -0.202 110 HA VAL 15 HA VAL 15 -9.201 9.205 -0.262 111 HB VAL 15 HB VAL 15 -11.187 9.224 -2.570 112 1HG1 VAL 15 HG13 VAL 15 -8.813 7.449 -1.879 113 2HG1 VAL 15 HG11 VAL 15 -9.936 7.191 -3.233 114 3HG1 VAL 15 HG12 VAL 15 -8.904 8.625 -3.200 115 1HG2 VAL 15 HG22 VAL 15 -10.891 7.192 -0.318 116 2HG2 VAL 15 HG23 VAL 15 -12.310 8.215 -0.609 117 3HG2 VAL 15 HG21 VAL 15 -11.845 7.016 -1.814 118 H LYS 16 H LYS 16 -11.061 11.628 -2.137 119 HA LYS 16 HA LYS 16 -8.914 12.544 -3.758 120 1HB LYS 16 HB2 LYS 16 -11.269 14.167 -2.714 121 2HB LYS 16 HB3 LYS 16 -10.187 14.589 -4.051 122 1HG LYS 16 HG2 LYS 16 -10.864 12.329 -5.105 123 2HG LYS 16 HG3 LYS 16 -12.186 12.289 -3.932 124 1HD LYS 16 HD2 LYS 16 -11.644 14.480 -5.999 125 2HD LYS 16 HD3 LYS 16 -12.866 13.208 -6.132 126 1HE LYS 16 HE2 LYS 16 -14.014 14.098 -4.106 127 2HE LYS 16 HE3 LYS 16 -12.817 15.405 -4.005 128 1HZ LYS 16 HZ1 LYS 16 -14.641 14.920 -6.251 129 2HZ LYS 16 HZ2 LYS 16 -14.799 16.096 -5.109 130 3HZ LYS 16 HZ3 LYS 16 -13.530 16.134 -6.159 131 H ALA 17 H ALA 17 -10.026 13.733 -0.550 132 HA ALA 17 HA ALA 17 -8.098 15.697 -0.106 133 1HB ALA 17 HB1 ALA 17 -10.018 15.208 1.396 134 2HB ALA 17 HB2 ALA 17 -9.192 13.756 1.993 135 3HB ALA 17 HB3 ALA 17 -8.483 15.353 2.272 136 H MET 18 H MET 18 -7.821 12.259 0.951 137 HA MET 18 HA MET 18 -5.184 12.438 1.906 138 1HB MET 18 HB2 MET 18 -6.815 10.105 0.918 139 2HB MET 18 HB3 MET 18 -5.174 9.926 1.566 140 1HG MET 18 HG2 MET 18 -5.788 11.035 3.649 141 2HG MET 18 HG3 MET 18 -7.448 11.258 3.094 142 1HE MET 18 HE3 MET 18 -8.228 8.591 1.790 143 2HE MET 18 HE1 MET 18 -8.869 7.656 3.167 144 3HE MET 18 HE2 MET 18 -9.228 9.394 3.015 145 H LEU 19 H LEU 19 -6.345 11.517 -1.379 146 HA LEU 19 HA LEU 19 -3.827 10.969 -2.521 147 1HB LEU 19 HB2 LEU 19 -6.368 12.134 -3.698 148 2HB LEU 19 HB3 LEU 19 -4.954 11.791 -4.689 149 HG LEU 19 HG LEU 19 -6.319 9.654 -2.992 150 1HD1 LEU 19 HD13 LEU 19 -6.698 10.362 -5.938 151 2HD1 LEU 19 HD11 LEU 19 -7.361 8.927 -5.132 152 3HD1 LEU 19 HD12 LEU 19 -7.914 10.541 -4.655 153 1HD2 LEU 19 HD21 LEU 19 -4.354 9.532 -5.315 154 2HD2 LEU 19 HD22 LEU 19 -4.013 9.073 -3.631 155 3HD2 LEU 19 HD23 LEU 19 -5.157 8.127 -4.584 156 H GLU 20 H GLU 20 -5.296 14.161 -1.826 157 HA GLU 20 HA GLU 20 -3.172 15.561 -3.309 158 1HB GLU 20 HB2 GLU 20 -4.950 16.760 -1.154 159 2HB GLU 20 HB3 GLU 20 -4.020 17.564 -2.417 160 1HG GLU 20 HG2 GLU 20 -6.692 16.229 -2.582 161 2HG GLU 20 HG3 GLU 20 -6.148 17.746 -3.256 162 HE2 GLU 20 HE GLU 20 -6.570 14.481 -3.845 163 H LYS 21 H LYS 21 -3.935 14.612 0.055 164 HA LYS 21 HA LYS 21 -1.554 16.009 1.097 165 1HB LYS 21 HB2 LYS 21 -3.639 14.267 2.470 166 2HB LYS 21 HB3 LYS 21 -2.319 15.138 3.251 167 1HG LYS 21 HG2 LYS 21 -3.371 17.232 1.904 168 2HG LYS 21 HG3 LYS 21 -4.803 16.203 1.898 169 1HD LYS 21 HD2 LYS 21 -5.007 17.583 3.823 170 2HD LYS 21 HD3 LYS 21 -4.510 16.000 4.448 171 1HE LYS 21 HE2 LYS 21 -2.127 16.842 4.551 172 2HE LYS 21 HE3 LYS 21 -2.668 18.391 3.902 173 1HZ LYS 21 HZ2 LYS 21 -3.537 17.204 6.444 174 2HZ LYS 21 HZ3 LYS 21 -2.448 18.427 6.269 175 3HZ LYS 21 HZ1 LYS 21 -4.023 18.663 5.849 176 H ASP 22 H ASP 22 -0.396 14.582 -0.593 177 HA ASP 22 HA ASP 22 0.807 12.251 0.881 178 1HB ASP 22 HB2 ASP 22 -0.726 11.368 -0.839 179 2HB ASP 22 HB3 ASP 22 0.027 12.401 -2.055 180 HD1 ASP 22 HD ASP 22 1.267 9.926 0.295 181 H THR 23 H THR 23 3.050 12.298 0.955 182 HA THR 23 HA THR 23 4.395 14.533 -0.388 183 HB THR 23 HB THR 23 6.200 13.719 1.301 184 HG1 THR 23 HG1 THR 23 5.299 12.536 3.011 185 1HG2 THR 23 HG22 THR 23 4.805 15.726 1.626 186 2HG2 THR 23 HG23 THR 23 3.504 14.723 2.307 187 3HG2 THR 23 HG21 THR 23 5.061 14.861 3.149 188 H GLY 24 H GLY 24 3.645 12.014 -1.952 189 1HA GLY 24 HA2 GLY 24 6.261 10.763 -2.620 190 2HA GLY 24 HA3 GLY 24 4.642 10.281 -3.090 191 H LYS 25 H LYS 25 7.395 12.176 -3.878 192 HA LYS 25 HA LYS 25 6.163 13.754 -6.014 193 1HB LYS 25 HB2 LYS 25 9.076 13.263 -5.248 194 2HB LYS 25 HB3 LYS 25 8.488 14.460 -6.415 195 1HG LYS 25 HG2 LYS 25 7.284 15.660 -4.630 196 2HG LYS 25 HG3 LYS 25 7.721 14.421 -3.453 197 1HD LYS 25 HD2 LYS 25 9.157 16.371 -3.190 198 2HD LYS 25 HD3 LYS 25 10.077 14.927 -3.614 199 1HE LYS 25 HE2 LYS 25 10.870 16.969 -4.789 200 2HE LYS 25 HE3 LYS 25 10.373 15.701 -5.911 201 1HZ LYS 25 HZ2 LYS 25 8.732 18.010 -5.117 202 2HZ LYS 25 HZ3 LYS 25 9.554 17.859 -6.538 203 3HZ LYS 25 HZ1 LYS 25 8.302 16.844 -6.201 204 H VAL 26 H VAL 26 6.940 13.521 -8.256 205 HA VAL 26 HA VAL 26 6.894 10.677 -9.040 206 HB VAL 26 HB VAL 26 6.461 13.236 -10.628 207 1HG1 VAL 26 HG11 VAL 26 6.194 10.290 -11.346 208 2HG1 VAL 26 HG12 VAL 26 5.443 11.597 -12.288 209 3HG1 VAL 26 HG13 VAL 26 7.200 11.501 -12.156 210 1HG2 VAL 26 HG22 VAL 26 4.512 11.182 -9.491 211 2HG2 VAL 26 HG23 VAL 26 4.686 12.863 -8.946 212 3HG2 VAL 26 HG21 VAL 26 4.084 12.528 -10.571 213 H SER 27 H SER 27 9.026 9.934 -8.784 214 HA SER 27 HA SER 27 11.282 11.330 -10.085 215 1HB SER 27 HB2 SER 27 12.375 9.059 -9.420 216 2HB SER 27 HB3 SER 27 11.969 10.243 -8.166 217 HG SER 27 HG SER 27 10.098 8.323 -8.986 218 H GLY 28 H GLY 28 9.841 11.424 -12.023 219 1HA GLY 28 HA2 GLY 28 9.501 10.874 -14.213 220 2HA GLY 28 HA3 GLY 28 10.822 9.702 -14.077 221 H ASP 29 H ASP 29 10.329 7.520 -13.613 222 HA ASP 29 HA ASP 29 7.564 6.670 -14.265 223 1HB ASP 29 HB2 ASP 29 8.511 4.523 -14.646 224 2HB ASP 29 HB3 ASP 29 9.633 5.669 -15.399 225 HD1 ASP 29 HD ASP 29 11.680 5.332 -12.373 226 H THR 30 H THR 30 9.947 6.718 -11.651 227 HA THR 30 HA THR 30 8.481 4.800 -9.968 228 HB THR 30 HB THR 30 11.088 6.332 -9.429 229 HG1 THR 30 HG1 THR 30 10.679 3.944 -10.908 230 1HG2 THR 30 HG22 THR 30 10.012 3.712 -8.463 231 2HG2 THR 30 HG23 THR 30 11.688 4.263 -8.225 232 3HG2 THR 30 HG21 THR 30 10.351 5.159 -7.487 233 H VAL 31 H VAL 31 8.190 5.558 -7.536 234 HA VAL 31 HA VAL 31 7.546 8.491 -7.409 235 HB VAL 31 HB VAL 31 6.115 6.067 -6.391 236 1HG1 VAL 31 HG11 VAL 31 6.504 7.431 -4.317 237 2HG1 VAL 31 HG12 VAL 31 5.800 8.844 -5.149 238 3HG1 VAL 31 HG13 VAL 31 4.820 7.397 -4.838 239 1HG2 VAL 31 HG21 VAL 31 5.474 7.289 -8.468 240 2HG2 VAL 31 HG22 VAL 31 4.177 7.258 -7.256 241 3HG2 VAL 31 HG23 VAL 31 5.134 8.731 -7.503 242 H THR 32 H THR 32 8.286 9.625 -5.609 243 HA THR 32 HA THR 32 10.313 8.272 -3.907 244 HB THR 32 HB THR 32 10.691 10.736 -5.662 245 HG1 THR 32 HG1 THR 32 11.215 8.734 -6.586 246 1HG2 THR 32 HG23 THR 32 12.415 9.763 -3.337 247 2HG2 THR 32 HG21 THR 32 12.958 10.896 -4.590 248 3HG2 THR 32 HG22 THR 32 11.639 11.352 -3.507 249 H TYR 33 H TYR 33 9.756 8.644 -1.855 250 HA TYR 33 HA TYR 33 7.984 10.908 -1.234 251 1HB TYR 33 HB2 TYR 33 9.028 8.563 0.353 252 2HB TYR 33 HB3 TYR 33 8.233 9.953 1.099 253 HD1 TYR 33 HD2 TYR 33 7.651 7.186 -1.360 254 HD2 TYR 33 HD1 TYR 33 5.936 10.424 0.911 255 HE1 TYR 33 HE2 TYR 33 5.380 6.569 -2.170 256 HE2 TYR 33 HE1 TYR 33 3.714 9.856 0.058 257 HH TYR 33 HH TYR 33 2.488 8.503 -1.338 258 H SER 34 H SER 34 8.498 12.376 0.577 259 HA SER 34 HA SER 34 11.329 12.961 1.051 260 1HB SER 34 HB2 SER 34 9.496 14.780 -0.573 261 2HB SER 34 HB3 SER 34 11.031 15.304 0.145 262 HG SER 34 HG SER 34 11.279 12.987 -1.301 263 H GLY 35 H GLY 35 11.549 14.659 2.657 264 1HA GLY 35 HA2 GLY 35 10.898 15.849 4.531 265 2HA GLY 35 HA3 GLY 35 9.188 15.518 4.191 266 H LYS 36 H LYS 36 10.128 15.256 6.800 267 HA LYS 36 HA LYS 36 10.943 12.531 7.339 268 1HB LYS 36 HB2 LYS 36 9.906 14.652 9.232 269 2HB LYS 36 HB3 LYS 36 10.584 13.092 9.682 270 1HG LYS 36 HG2 LYS 36 12.692 13.813 8.294 271 2HG LYS 36 HG3 LYS 36 11.971 15.423 8.310 272 1HD LYS 36 HD2 LYS 36 13.278 15.627 10.167 273 2HD LYS 36 HD3 LYS 36 11.844 14.973 10.959 274 1HE LYS 36 HE2 LYS 36 14.336 13.427 10.053 275 2HE LYS 36 HE3 LYS 36 13.927 13.856 11.719 276 1HZ LYS 36 HZ2 LYS 36 12.351 12.083 9.999 277 2HZ LYS 36 HZ3 LYS 36 13.386 11.584 11.163 278 3HZ LYS 36 HZ1 LYS 36 12.032 12.436 11.579 279 H THR 37 H THR 37 7.841 14.033 6.738 280 HA THR 37 HA THR 37 6.353 11.724 7.851 281 HB THR 37 HB THR 37 4.420 13.186 7.018 282 HG1 THR 37 HG1 THR 37 5.695 14.449 5.611 283 1HG2 THR 37 HG23 THR 37 5.207 12.963 9.340 284 2HG2 THR 37 HG21 THR 37 6.372 14.278 9.091 285 3HG2 THR 37 HG22 THR 37 4.624 14.620 9.013 286 H VAL 38 H VAL 38 7.081 10.146 6.535 287 HA VAL 38 HA VAL 38 6.697 10.362 3.578 288 HB VAL 38 HB VAL 38 7.892 8.226 5.354 289 1HG1 VAL 38 HG12 VAL 38 7.150 8.133 2.415 290 2HG1 VAL 38 HG13 VAL 38 8.511 7.202 3.062 291 3HG1 VAL 38 HG11 VAL 38 6.878 6.902 3.658 292 1HG2 VAL 38 HG21 VAL 38 9.190 10.315 4.784 293 2HG2 VAL 38 HG22 VAL 38 9.908 8.799 4.203 294 3HG2 VAL 38 HG23 VAL 38 9.060 9.883 3.090 295 H HIS 39 H HIS 39 4.507 10.942 3.821 296 HA HIS 39 HA HIS 39 2.649 9.028 5.016 297 1HB HIS 39 HB2 HIS 39 2.385 11.464 5.316 298 2HB HIS 39 HB3 HIS 39 2.140 11.656 3.575 299 HD1 HIS 39 HD1 HIS 39 -0.426 12.224 3.434 300 HD2 HIS 39 HD2 HIS 39 0.523 8.893 5.851 301 HE1 HIS 39 HE1 HIS 39 -2.636 11.144 4.094 302 HE2 HIS 39 HE2 HIS 39 -2.031 9.086 5.528 303 H VAL 40 H VAL 40 2.787 7.198 3.727 304 HA VAL 40 HA VAL 40 2.711 7.371 0.811 305 HB VAL 40 HB VAL 40 2.790 4.944 2.632 306 1HG1 VAL 40 HG13 VAL 40 3.281 5.232 -0.364 307 2HG1 VAL 40 HG11 VAL 40 3.562 3.762 0.594 308 3HG1 VAL 40 HG12 VAL 40 1.919 4.379 0.392 309 1HG2 VAL 40 HG21 VAL 40 5.022 6.417 1.180 310 2HG2 VAL 40 HG22 VAL 40 4.787 6.297 2.936 311 3HG2 VAL 40 HG23 VAL 40 5.185 4.853 2.002 312 H VAL 41 H VAL 41 0.738 8.114 0.156 313 HA VAL 41 HA VAL 41 -1.743 6.885 1.166 314 HB VAL 41 HB VAL 41 -1.265 9.110 -0.832 315 1HG1 VAL 41 HG12 VAL 41 -3.839 8.097 0.447 316 2HG1 VAL 41 HG13 VAL 41 -3.669 9.562 -0.539 317 3HG1 VAL 41 HG11 VAL 41 -3.406 7.976 -1.275 318 1HG2 VAL 41 HG21 VAL 41 -2.204 9.126 2.083 319 2HG2 VAL 41 HG22 VAL 41 -0.626 9.708 1.525 320 3HG2 VAL 41 HG23 VAL 41 -2.095 10.547 1.040 321 H ALA 42 H ALA 42 -2.211 4.951 0.322 322 HA ALA 42 HA ALA 42 -1.630 4.366 -2.551 323 1HB ALA 42 HB2 ALA 42 0.070 3.278 -1.102 324 2HB ALA 42 HB3 ALA 42 -1.229 2.519 -0.156 325 3HB ALA 42 HB1 ALA 42 -0.995 2.082 -1.864 326 H ALA 43 H ALA 43 -3.000 2.509 -3.333 327 HA ALA 43 HA ALA 43 -5.411 1.931 -1.793 328 1HB ALA 43 HB1 ALA 43 -5.562 3.420 -4.465 329 2HB ALA 43 HB2 ALA 43 -6.928 2.644 -3.653 330 3HB ALA 43 HB3 ALA 43 -6.096 4.013 -2.893 331 H ALA 44 H ALA 44 -6.774 0.315 -3.071 332 HA ALA 44 HA ALA 44 -5.001 -1.454 -4.717 333 1HB ALA 44 HB1 ALA 44 -4.857 -2.109 -2.322 334 2HB ALA 44 HB2 ALA 44 -6.620 -2.339 -2.314 335 3HB ALA 44 HB3 ALA 44 -5.596 -3.345 -3.357 336 H VAL 45 H VAL 45 -6.008 -1.648 -6.556 337 HA VAL 45 HA VAL 45 -7.635 -1.641 -8.135 338 HB VAL 45 HB VAL 45 -8.514 -4.080 -6.564 339 1HG1 VAL 45 HG12 VAL 45 -9.759 -3.532 -8.703 340 2HG1 VAL 45 HG13 VAL 45 -8.207 -3.556 -9.560 341 3HG1 VAL 45 HG11 VAL 45 -8.829 -5.028 -8.797 342 1HG2 VAL 45 HG22 VAL 45 -6.018 -3.746 -8.276 343 2HG2 VAL 45 HG23 VAL 45 -6.105 -4.106 -6.533 344 3HG2 VAL 45 HG21 VAL 45 -6.685 -5.291 -7.703 345 H LEU 46 H LEU 46 -8.619 0.373 -7.229 346 HA LEU 46 HA LEU 46 -11.191 0.101 -5.866 347 1HB LEU 46 HB2 LEU 46 -9.934 2.407 -7.431 348 2HB LEU 46 HB3 LEU 46 -11.383 2.543 -6.439 349 HG LEU 46 HG LEU 46 -8.568 1.880 -5.439 350 1HD1 LEU 46 HD13 LEU 46 -10.307 4.372 -5.155 351 2HD1 LEU 46 HD11 LEU 46 -8.716 4.127 -4.409 352 3HD1 LEU 46 HD12 LEU 46 -8.860 4.222 -6.172 353 1HD2 LEU 46 HD22 LEU 46 -11.243 2.160 -4.030 354 2HD2 LEU 46 HD23 LEU 46 -10.135 0.765 -3.990 355 3HD2 LEU 46 HD21 LEU 46 -9.686 2.273 -3.183 356 HA PRO 47 HA PRO 47 -13.522 -1.139 -9.353 357 1HB PRO 47 HB2 PRO 47 -15.935 0.206 -9.076 358 2HB PRO 47 HB3 PRO 47 -15.427 -1.215 -8.122 359 1HG PRO 47 HG2 PRO 47 -15.169 1.704 -7.364 360 2HG PRO 47 HG3 PRO 47 -15.824 0.369 -6.368 361 1HD PRO 47 HD2 PRO 47 -13.292 1.192 -6.032 362 2HD PRO 47 HD3 PRO 47 -13.631 -0.562 -6.060 363 H GLY 48 H GLY 48 -12.450 -0.430 -11.112 364 1HA GLY 48 HA2 GLY 48 -13.164 1.105 -13.133 365 2HA GLY 48 HA3 GLY 48 -12.603 2.382 -12.031 366 H PHE 49 H PHE 49 -10.559 0.959 -10.708 367 HA PHE 49 HA PHE 49 -8.395 1.081 -12.686 368 1HB PHE 49 HB2 PHE 49 -8.462 0.555 -9.697 369 2HB PHE 49 HB3 PHE 49 -7.003 0.525 -10.665 370 HD1 PHE 49 HD1 PHE 49 -9.846 2.780 -9.669 371 HD2 PHE 49 HD2 PHE 49 -5.832 2.549 -11.220 372 HE1 PHE 49 HE1 PHE 49 -9.539 5.199 -9.238 373 HE2 PHE 49 HE2 PHE 49 -5.526 4.969 -10.778 374 HZ PHE 49 HZ PHE 49 -7.371 6.295 -9.777 375 HA PRO 50 HA PRO 50 -9.093 -3.338 -13.162 376 1HB PRO 50 HB2 PRO 50 -7.132 -3.998 -14.939 377 2HB PRO 50 HB3 PRO 50 -8.519 -2.963 -15.392 378 1HG PRO 50 HG2 PRO 50 -5.752 -2.064 -14.527 379 2HG PRO 50 HG3 PRO 50 -6.655 -1.555 -15.986 380 1HD PRO 50 HD2 PRO 50 -6.671 -0.081 -13.693 381 2HD PRO 50 HD3 PRO 50 -8.147 -0.228 -14.696 382 H PHE 51 H PHE 51 -8.067 -5.370 -12.710 383 HA PHE 51 HA PHE 51 -6.207 -5.398 -10.485 384 1HB PHE 51 HB2 PHE 51 -7.486 -7.487 -12.311 385 2HB PHE 51 HB3 PHE 51 -6.262 -7.963 -11.176 386 HD1 PHE 51 HD2 PHE 51 -6.636 -7.985 -8.750 387 HD2 PHE 51 HD1 PHE 51 -9.755 -6.828 -11.506 388 HE1 PHE 51 HE2 PHE 51 -8.319 -8.258 -6.966 389 HE2 PHE 51 HE1 PHE 51 -11.436 -7.138 -9.716 390 HZ PHE 51 HZ PHE 51 -10.720 -7.839 -7.437 391 HA PRO 52 HA PRO 52 -4.787 -7.024 -9.793 392 1HB PRO 52 HB2 PRO 52 -2.668 -8.609 -9.612 393 2HB PRO 52 HB3 PRO 52 -3.871 -8.962 -10.884 394 1HG PRO 52 HG2 PRO 52 -1.256 -7.452 -11.179 395 2HG PRO 52 HG3 PRO 52 -1.858 -8.787 -12.195 396 1HD PRO 52 HD2 PRO 52 -2.194 -6.050 -12.754 397 2HD PRO 52 HD3 PRO 52 -3.231 -7.354 -13.386 398 H SER 53 H SER 53 -2.829 -4.500 -10.830 399 HA SER 53 HA SER 53 -0.775 -4.594 -8.814 400 1HB SER 53 HB2 SER 53 -0.354 -2.276 -9.966 401 2HB SER 53 HB3 SER 53 -0.148 -3.766 -10.904 402 HG SER 53 HG SER 53 -2.587 -2.318 -10.813 403 H PHE 54 H PHE 54 -0.292 -3.007 -7.284 404 HA PHE 54 HA PHE 54 -2.509 -1.819 -5.780 405 1HB PHE 54 HB2 PHE 54 0.511 -1.771 -5.633 406 2HB PHE 54 HB3 PHE 54 -0.486 -0.786 -4.537 407 HD1 PHE 54 HD2 PHE 54 -2.518 -2.385 -3.491 408 HD2 PHE 54 HD1 PHE 54 1.647 -3.192 -4.251 409 HE1 PHE 54 HE2 PHE 54 -2.438 -3.846 -1.478 410 HE2 PHE 54 HE1 PHE 54 1.690 -4.724 -2.278 411 HZ PHE 54 HZ PHE 54 -0.330 -4.910 -0.817 412 H GLU 55 H GLU 55 -2.980 0.368 -5.681 413 HA GLU 55 HA GLU 55 -1.900 2.138 -7.792 414 1HB GLU 55 HB2 GLU 55 -4.140 2.495 -5.811 415 2HB GLU 55 HB3 GLU 55 -3.719 3.564 -7.153 416 1HG GLU 55 HG2 GLU 55 -4.392 1.874 -8.777 417 2HG GLU 55 HG3 GLU 55 -4.592 0.639 -7.523 418 HE1 GLU 55 HE GLU 55 -7.235 3.634 -7.882 419 H VAL 56 H VAL 56 -0.476 3.782 -7.275 420 HA VAL 56 HA VAL 56 -0.281 4.714 -4.436 421 HB VAL 56 HB VAL 56 2.006 3.796 -6.161 422 1HG1 VAL 56 HG12 VAL 56 2.160 5.837 -3.887 423 2HG1 VAL 56 HG13 VAL 56 3.534 4.893 -4.484 424 3HG1 VAL 56 HG11 VAL 56 2.762 6.059 -5.548 425 1HG2 VAL 56 HG22 VAL 56 0.831 2.459 -4.251 426 2HG2 VAL 56 HG23 VAL 56 2.593 2.637 -4.133 427 3HG2 VAL 56 HG21 VAL 56 1.518 3.643 -3.147 428 H HIS 57 H HIS 57 -1.775 6.134 -5.026 429 HA HIS 57 HA HIS 57 -2.759 7.913 -5.883 430 1HB HIS 57 HB2 HIS 57 -1.647 10.013 -5.316 431 2HB HIS 57 HB3 HIS 57 -1.533 8.795 -4.045 432 HD1 HIS 57 HD1 HIS 57 0.917 7.672 -3.655 433 HD2 HIS 57 HD2 HIS 57 0.634 11.088 -6.114 434 HE1 HIS 57 HE1 HIS 57 3.290 8.610 -3.920 435 HE2 HIS 57 HE2 HIS 57 3.102 10.717 -5.350 436 H ASP 58 H ASP 58 0.463 8.587 -7.257 437 HA ASP 58 HA ASP 58 -0.846 9.729 -9.659 438 1HB ASP 58 HB2 ASP 58 0.945 11.022 -8.593 439 2HB ASP 58 HB3 ASP 58 2.075 9.669 -8.819 440 HD1 ASP 58 HD ASP 58 0.855 11.752 -12.053 441 H LYS 59 H LYS 59 0.760 6.812 -8.620 442 HA LYS 59 HA LYS 59 0.925 5.796 -11.427 443 1HB LYS 59 HB2 LYS 59 2.934 5.346 -9.192 444 2HB LYS 59 HB3 LYS 59 3.044 4.749 -10.860 445 1HG LYS 59 HG2 LYS 59 3.157 7.710 -10.141 446 2HG LYS 59 HG3 LYS 59 4.538 6.630 -10.279 447 1HD LYS 59 HD2 LYS 59 3.858 6.066 -12.628 448 2HD LYS 59 HD3 LYS 59 2.658 7.384 -12.527 449 1HE LYS 59 HE2 LYS 59 4.452 8.986 -12.010 450 2HE LYS 59 HE3 LYS 59 5.651 7.693 -11.923 451 1HZ LYS 59 HZ2 LYS 59 5.201 7.255 -14.256 452 2HZ LYS 59 HZ3 LYS 59 4.201 8.568 -14.319 453 3HZ LYS 59 HZ1 LYS 59 5.810 8.758 -13.977 454 H LYS 60 H LYS 60 1.557 3.286 -11.062 455 HA LYS 60 HA LYS 60 -0.063 2.079 -8.872 456 1HB LYS 60 HB2 LYS 60 -0.017 1.377 -11.804 457 2HB LYS 60 HB3 LYS 60 -0.726 0.336 -10.550 458 1HG LYS 60 HG2 LYS 60 -2.400 2.046 -10.034 459 2HG LYS 60 HG3 LYS 60 -1.618 3.208 -11.100 460 1HD LYS 60 HD2 LYS 60 -3.579 2.333 -12.202 461 2HD LYS 60 HD3 LYS 60 -2.119 1.872 -13.072 462 1HE LYS 60 HE2 LYS 60 -3.758 0.031 -12.979 463 2HE LYS 60 HE3 LYS 60 -2.236 -0.404 -12.204 464 1HZ LYS 60 HZ1 LYS 60 -4.653 0.514 -10.794 465 2HZ LYS 60 HZ2 LYS 60 -4.205 -1.059 -10.956 466 3HZ LYS 60 HZ3 LYS 60 -3.260 -0.020 -10.090 467 H ASN 61 H ASN 61 1.652 1.695 -7.681 468 HA ASN 61 HA ASN 61 3.870 1.280 -7.148 469 1HB ASN 61 HB2 ASN 61 2.442 -1.300 -7.468 470 2HB ASN 61 HB3 ASN 61 4.131 -1.187 -6.943 471 1HD2 ASN 61 HD22 ASN 61 1.334 0.606 -4.533 472 2HD2 ASN 61 HD21 ASN 61 0.938 0.403 -6.244 473 HA PRO 62 HA PRO 62 6.317 0.757 -11.053 474 1HB PRO 62 HB2 PRO 62 7.646 3.048 -10.899 475 2HB PRO 62 HB3 PRO 62 6.084 2.891 -11.725 476 1HG PRO 62 HG2 PRO 62 6.533 4.070 -8.980 477 2HG PRO 62 HG3 PRO 62 5.463 4.612 -10.286 478 1HD PRO 62 HD2 PRO 62 4.617 3.099 -8.145 479 2HD PRO 62 HD3 PRO 62 3.825 3.038 -9.740 480 H THR 63 H THR 63 7.129 2.486 -8.044 481 HA THR 63 HA THR 63 8.278 0.610 -6.469 482 HB THR 63 HB THR 63 10.220 1.579 -8.582 483 HG1 THR 63 HG1 THR 63 9.488 -0.528 -8.498 484 1HG2 THR 63 HG22 THR 63 10.977 1.065 -5.689 485 2HG2 THR 63 HG23 THR 63 12.115 1.144 -7.053 486 3HG2 THR 63 HG21 THR 63 11.207 2.592 -6.599 487 H LEU 64 H LEU 64 9.238 1.700 -4.578 488 HA LEU 64 HA LEU 64 8.546 4.602 -4.430 489 1HB LEU 64 HB2 LEU 64 8.192 2.335 -2.445 490 2HB LEU 64 HB3 LEU 64 8.288 4.030 -1.967 491 HG LEU 64 HG LEU 64 6.401 4.579 -3.488 492 1HD1 LEU 64 HD11 LEU 64 6.285 1.538 -3.767 493 2HD1 LEU 64 HD12 LEU 64 4.856 2.560 -3.990 494 3HD1 LEU 64 HD13 LEU 64 6.233 2.766 -5.055 495 1HD2 LEU 64 HD21 LEU 64 6.121 4.262 -1.049 496 2HD2 LEU 64 HD22 LEU 64 4.690 3.693 -1.923 497 3HD2 LEU 64 HD23 LEU 64 5.869 2.521 -1.294 498 H GLU 65 H GLU 65 10.233 5.868 -4.045 499 HA GLU 65 HA GLU 65 12.702 4.764 -2.742 500 1HB GLU 65 HB2 GLU 65 12.365 7.499 -3.983 501 2HB GLU 65 HB3 GLU 65 13.856 6.713 -3.494 502 1HG GLU 65 HG2 GLU 65 12.039 5.797 -5.783 503 2HG GLU 65 HG3 GLU 65 13.527 6.726 -5.955 504 HE1 GLU 65 HE GLU 65 15.546 3.957 -4.962 505 H ILE 66 H ILE 66 13.212 5.437 -0.666 506 HA ILE 66 HA ILE 66 11.404 7.397 0.645 507 HB ILE 66 HB ILE 66 12.133 4.565 1.372 508 1HG1 ILE 66 HG12 ILE 66 9.567 6.130 0.901 509 2HG1 ILE 66 HG13 ILE 66 10.168 4.680 0.088 510 1HG2 ILE 66 HG21 ILE 66 12.555 5.921 3.436 511 2HG2 ILE 66 HG22 ILE 66 10.938 6.637 3.287 512 3HG2 ILE 66 HG23 ILE 66 11.149 4.910 3.630 513 1HD1 ILE 66 HD11 ILE 66 9.834 3.480 2.348 514 2HD1 ILE 66 HD12 ILE 66 8.934 4.918 2.851 515 3HD1 ILE 66 HD13 ILE 66 8.370 3.979 1.465 516 HA PRO 67 HA PRO 67 15.349 8.869 2.302 517 1HB PRO 67 HB2 PRO 67 14.436 10.834 3.948 518 2HB PRO 67 HB3 PRO 67 14.435 10.978 2.166 519 1HG PRO 67 HG2 PRO 67 12.126 10.175 3.947 520 2HG PRO 67 HG3 PRO 67 12.121 11.380 2.638 521 1HD PRO 67 HD2 PRO 67 11.259 8.821 2.294 522 2HD PRO 67 HD3 PRO 67 12.119 9.684 0.987 523 H ALA 68 H ALA 68 16.279 7.418 3.650 524 HA ALA 68 HA ALA 68 15.126 5.717 5.413 525 1HB ALA 68 HB2 ALA 68 17.458 5.567 4.574 526 2HB ALA 68 HB3 ALA 68 17.930 6.883 5.668 527 3HB ALA 68 HB1 ALA 68 17.375 5.331 6.331 528 H GLY 69 H GLY 69 16.229 8.943 6.371 529 1HA GLY 69 HA2 GLY 69 16.006 8.437 9.203 530 2HA GLY 69 HA3 GLY 69 16.175 10.010 8.417 531 H ALA 70 H ALA 70 13.477 8.818 6.908 532 HA ALA 70 HA ALA 70 11.779 10.558 8.554 533 1HB ALA 70 HB2 ALA 70 11.833 10.717 6.118 534 2HB ALA 70 HB3 ALA 70 11.307 9.017 5.989 535 3HB ALA 70 HB1 ALA 70 10.224 10.230 6.686 536 H THR 71 H THR 71 9.517 9.941 8.915 537 HA THR 71 HA THR 71 9.190 7.209 10.065 538 HB THR 71 HB THR 71 7.624 9.808 10.410 539 HG1 THR 71 HG1 THR 71 9.679 9.564 11.479 540 1HG2 THR 71 HG22 THR 71 7.149 7.021 11.558 541 2HG2 THR 71 HG23 THR 71 6.426 8.509 12.211 542 3HG2 THR 71 HG21 THR 71 6.041 7.985 10.567 543 H VAL 72 H VAL 72 7.892 5.804 8.927 544 HA VAL 72 HA VAL 72 6.627 6.790 6.429 545 HB VAL 72 HB VAL 72 7.294 3.977 7.391 546 1HG1 VAL 72 HG12 VAL 72 6.027 5.011 4.810 547 2HG1 VAL 72 HG13 VAL 72 6.663 3.370 5.025 548 3HG1 VAL 72 HG11 VAL 72 5.291 3.917 5.997 549 1HG2 VAL 72 HG22 VAL 72 9.273 5.373 6.689 550 2HG2 VAL 72 HG23 VAL 72 8.956 4.018 5.592 551 3HG2 VAL 72 HG21 VAL 72 8.479 5.668 5.141 552 H ASP 73 H ASP 73 4.473 6.922 6.267 553 HA ASP 73 HA ASP 73 2.753 5.520 8.262 554 1HB ASP 73 HB2 ASP 73 2.737 8.455 7.560 555 2HB ASP 73 HB3 ASP 73 1.203 7.609 7.830 556 HD1 ASP 73 HD ASP 73 1.821 6.726 11.127 557 H VAL 74 H VAL 74 1.811 3.995 7.122 558 HA VAL 74 HA VAL 74 1.348 4.386 4.217 559 HB VAL 74 HB VAL 74 1.105 1.946 5.983 560 1HG1 VAL 74 HG11 VAL 74 0.769 2.323 2.966 561 2HG1 VAL 74 HG12 VAL 74 0.864 0.750 3.782 562 3HG1 VAL 74 HG13 VAL 74 -0.499 1.822 4.105 563 1HG2 VAL 74 HG21 VAL 74 3.186 2.755 3.909 564 2HG2 VAL 74 HG22 VAL 74 3.438 2.541 5.659 565 3HG2 VAL 74 HG23 VAL 74 3.056 1.146 4.644 566 H THR 75 H THR 75 -0.466 5.289 3.705 567 HA THR 75 HA THR 75 -2.963 4.893 5.284 568 HB THR 75 HB THR 75 -1.968 7.164 3.559 569 HG1 THR 75 HG1 THR 75 -2.974 6.906 6.203 570 1HG2 THR 75 HG21 THR 75 -4.794 6.682 4.620 571 2HG2 THR 75 HG22 THR 75 -4.170 8.237 4.027 572 3HG2 THR 75 HG23 THR 75 -4.324 6.872 2.920 573 H PHE 76 H PHE 76 -3.630 2.973 4.394 574 HA PHE 76 HA PHE 76 -3.673 2.584 1.448 575 1HB PHE 76 HB2 PHE 76 -4.896 1.154 3.843 576 2HB PHE 76 HB3 PHE 76 -5.493 0.808 2.258 577 HD1 PHE 76 HD2 PHE 76 -3.212 0.657 0.473 578 HD2 PHE 76 HD1 PHE 76 -4.054 -1.060 4.340 579 HE1 PHE 76 HE2 PHE 76 -3.165 -1.584 -0.512 580 HE2 PHE 76 HE1 PHE 76 -4.087 -3.298 3.329 581 HZ PHE 76 HZ PHE 76 -3.759 -3.559 0.871 582 H ILE 77 H ILE 77 -5.485 2.872 0.198 583 HA ILE 77 HA ILE 77 -8.122 3.171 1.528 584 HB ILE 77 HB ILE 77 -7.308 4.610 -1.025 585 1HG1 ILE 77 HG12 ILE 77 -8.603 6.403 0.637 586 2HG1 ILE 77 HG13 ILE 77 -7.785 5.423 1.834 587 1HG2 ILE 77 HG23 ILE 77 -9.615 3.617 -1.189 588 2HG2 ILE 77 HG21 ILE 77 -10.013 4.364 0.366 589 3HG2 ILE 77 HG22 ILE 77 -9.656 5.358 -1.064 590 1HD1 ILE 77 HD12 ILE 77 -5.599 5.792 0.625 591 2HD1 ILE 77 HD13 ILE 77 -6.458 6.842 -0.526 592 3HD1 ILE 77 HD11 ILE 77 -6.336 7.304 1.183 593 H ASN 78 H ASN 78 -7.848 0.815 1.525 594 HA ASN 78 HA ASN 78 -7.972 -0.482 -1.165 595 1HB ASN 78 HB2 ASN 78 -6.804 -2.030 -0.080 596 2HB ASN 78 HB3 ASN 78 -7.328 -1.621 1.514 597 1HD2 ASN 78 HD21 ASN 78 -9.803 -4.168 1.529 598 2HD2 ASN 78 HD22 ASN 78 -8.443 -3.406 2.319 599 H THR 79 H THR 79 -9.882 -0.277 -2.081 600 HA THR 79 HA THR 79 -12.273 -0.953 -0.520 601 HB THR 79 HB THR 79 -12.007 1.706 -1.979 602 HG1 THR 79 HG1 THR 79 -11.447 1.094 0.383 603 1HG2 THR 79 HG23 THR 79 -14.498 0.231 -1.078 604 2HG2 THR 79 HG21 THR 79 -14.418 2.005 -1.159 605 3HG2 THR 79 HG22 THR 79 -14.195 1.058 -2.615 606 H ASN 80 H ASN 80 -10.796 -2.604 -1.979 607 HA ASN 80 HA ASN 80 -12.009 -2.824 -4.666 608 1HB ASN 80 HB2 ASN 80 -9.737 -3.727 -4.311 609 2HB ASN 80 HB3 ASN 80 -10.364 -4.776 -3.013 610 1HD2 ASN 80 HD22 ASN 80 -11.311 -5.567 -6.978 611 2HD2 ASN 80 HD21 ASN 80 -10.849 -3.946 -6.469 612 H LYS 81 H LYS 81 -14.152 -3.355 -4.695 613 HA LYS 81 HA LYS 81 -15.510 -4.487 -2.412 614 1HB LYS 81 HB2 LYS 81 -16.351 -3.825 -5.250 615 2HB LYS 81 HB3 LYS 81 -17.453 -4.503 -4.034 616 1HG LYS 81 HG2 LYS 81 -17.090 -2.669 -2.524 617 2HG LYS 81 HG3 LYS 81 -15.828 -1.963 -3.553 618 1HD LYS 81 HD2 LYS 81 -17.387 -1.338 -5.248 619 2HD LYS 81 HD3 LYS 81 -18.642 -2.413 -4.609 620 1HE LYS 81 HE2 LYS 81 -19.112 -0.033 -4.058 621 2HE LYS 81 HE3 LYS 81 -18.937 -1.076 -2.638 622 1HZ LYS 81 HZ1 LYS 81 -16.676 -0.267 -2.427 623 2HZ LYS 81 HZ2 LYS 81 -16.913 0.782 -3.679 624 3HZ LYS 81 HZ3 LYS 81 -17.792 0.926 -2.282 625 H GLY 82 H GLY 82 -13.894 -6.318 -2.353 626 1HA GLY 82 HA2 GLY 82 -15.177 -8.772 -2.882 627 2HA GLY 82 HA3 GLY 82 -13.991 -8.504 -4.177 628 H PHE 83 H PHE 83 -11.766 -7.645 -3.293 629 HA PHE 83 HA PHE 83 -10.911 -9.704 -1.334 630 1HB PHE 83 HB2 PHE 83 -9.408 -7.956 -3.285 631 2HB PHE 83 HB3 PHE 83 -8.651 -9.073 -2.163 632 HD1 PHE 83 HD1 PHE 83 -9.123 -11.577 -2.330 633 HD2 PHE 83 HD2 PHE 83 -10.361 -8.777 -5.355 634 HE1 PHE 83 HE1 PHE 83 -9.015 -13.373 -4.035 635 HE2 PHE 83 HE2 PHE 83 -10.247 -10.577 -7.068 636 HZ PHE 83 HZ PHE 83 -9.561 -12.872 -6.409 637 H GLY 84 H GLY 84 -10.538 -9.178 0.725 638 1HA GLY 84 HA2 GLY 84 -10.141 -6.509 1.800 639 2HA GLY 84 HA3 GLY 84 -9.899 -8.056 2.600 640 H HIS 85 H HIS 85 -8.391 -6.056 -0.012 641 HA HIS 85 HA HIS 85 -5.988 -7.479 -0.030 642 1HB HIS 85 HB2 HIS 85 -6.337 -4.527 -0.606 643 2HB HIS 85 HB3 HIS 85 -4.920 -5.480 -1.033 644 HD2 HIS 85 HD2 HIS 85 -8.087 -4.296 -2.424 645 HE1 HIS 85 HE1 HIS 85 -6.826 -7.301 -5.121 646 HE2 HIS 85 HE2 HIS 85 -8.411 -5.356 -4.778 647 H SER 86 H SER 86 -3.993 -7.359 0.941 648 HA SER 86 HA SER 86 -3.752 -5.856 3.490 649 1HB SER 86 HB2 SER 86 -1.917 -7.632 3.747 650 2HB SER 86 HB3 SER 86 -3.585 -8.190 3.867 651 HG SER 86 HG SER 86 -2.447 -9.555 2.524 652 H PHE 87 H PHE 87 -1.646 -4.978 3.892 653 HA PHE 87 HA PHE 87 0.135 -4.492 1.559 654 1HB PHE 87 HB2 PHE 87 -1.290 -2.522 2.290 655 2HB PHE 87 HB3 PHE 87 -0.470 -2.514 3.814 656 HD1 PHE 87 HD2 PHE 87 2.369 -2.636 3.321 657 HD2 PHE 87 HD1 PHE 87 -0.700 -0.758 0.934 658 HE1 PHE 87 HE2 PHE 87 3.967 -0.880 2.599 659 HE2 PHE 87 HE1 PHE 87 0.895 1.002 0.272 660 HZ PHE 87 HZ PHE 87 3.227 0.959 1.128 661 H ASP 88 H ASP 88 1.685 -6.073 2.268 662 HA ASP 88 HA ASP 88 2.437 -6.126 5.171 663 1HB ASP 88 HB2 ASP 88 2.486 -8.382 3.149 664 2HB ASP 88 HB3 ASP 88 2.849 -8.478 4.881 665 HD1 ASP 88 HD ASP 88 -0.668 -7.702 5.628 666 H ILE 89 H ILE 89 4.409 -5.293 5.525 667 HA ILE 89 HA ILE 89 6.260 -4.954 3.268 668 HB ILE 89 HB ILE 89 6.452 -3.670 6.011 669 1HG1 ILE 89 HG12 ILE 89 4.932 -2.753 3.559 670 2HG1 ILE 89 HG13 ILE 89 4.298 -3.026 5.188 671 1HG2 ILE 89 HG22 ILE 89 8.498 -3.736 4.586 672 2HG2 ILE 89 HG23 ILE 89 7.582 -2.987 3.265 673 3HG2 ILE 89 HG21 ILE 89 7.884 -2.104 4.779 674 1HD1 ILE 89 HD11 ILE 89 5.838 -1.164 5.997 675 2HD1 ILE 89 HD12 ILE 89 6.115 -0.772 4.283 676 3HD1 ILE 89 HD13 ILE 89 4.486 -0.683 4.963 677 H THR 90 H THR 90 8.070 -6.124 3.088 678 HA THR 90 HA THR 90 9.549 -7.148 5.329 679 HB THR 90 HB THR 90 7.766 -8.718 5.392 680 HG1 THR 90 HG1 THR 90 9.408 -9.964 5.808 681 1HG2 THR 90 HG23 THR 90 8.270 -9.279 2.425 682 2HG2 THR 90 HG21 THR 90 7.248 -10.267 3.483 683 3HG2 THR 90 HG22 THR 90 6.803 -8.590 3.143 684 H LYS 91 H LYS 91 10.553 -9.304 3.449 685 HA LYS 91 HA LYS 91 11.892 -7.520 1.435 686 1HB LYS 91 HB2 LYS 91 13.098 -9.910 2.890 687 2HB LYS 91 HB3 LYS 91 13.825 -9.029 1.525 688 1HG LYS 91 HG2 LYS 91 13.693 -6.911 2.895 689 2HG LYS 91 HG3 LYS 91 13.057 -7.858 4.238 690 1HD LYS 91 HD2 LYS 91 15.403 -7.465 4.603 691 2HD LYS 91 HD3 LYS 91 15.130 -9.190 4.343 692 1HE LYS 91 HE2 LYS 91 17.172 -8.344 3.209 693 2HE LYS 91 HE3 LYS 91 16.026 -9.032 2.057 694 1HZ LYS 91 HZ3 LYS 91 16.346 -6.158 2.627 695 2HZ LYS 91 HZ1 LYS 91 16.958 -6.952 1.321 696 3HZ LYS 91 HZ2 LYS 91 15.331 -6.810 1.514 697 H LYS 92 H LYS 92 12.276 -11.000 1.336 698 HA LYS 92 HA LYS 92 11.671 -12.550 -0.168 699 1HB LYS 92 HB2 LYS 92 9.219 -10.868 -0.874 700 2HB LYS 92 HB3 LYS 92 9.559 -12.537 -1.318 701 1HG LYS 92 HG2 LYS 92 9.543 -13.211 1.042 702 2HG LYS 92 HG3 LYS 92 9.293 -11.536 1.551 703 1HD LYS 92 HD2 LYS 92 7.189 -12.738 1.642 704 2HD LYS 92 HD3 LYS 92 7.105 -11.470 0.408 705 1HE LYS 92 HE2 LYS 92 7.351 -13.127 -1.376 706 2HE LYS 92 HE3 LYS 92 7.713 -14.404 -0.194 707 1HZ LYS 92 HZ1 LYS 92 5.158 -12.972 -0.388 708 2HZ LYS 92 HZ2 LYS 92 5.460 -14.484 -0.969 709 3HZ LYS 92 HZ3 LYS 92 5.524 -14.203 0.652 710 H GLY 93 H GLY 93 10.747 -9.475 -1.770 711 1HA GLY 93 HA2 GLY 93 11.568 -8.474 -3.668 712 2HA GLY 93 HA3 GLY 93 12.937 -9.600 -3.693 713 HA PRO 94 HA PRO 94 9.696 -10.736 -6.917 714 1HB PRO 94 HB2 PRO 94 10.885 -9.912 -9.241 715 2HB PRO 94 HB3 PRO 94 9.928 -8.814 -8.208 716 1HG PRO 94 HG2 PRO 94 12.936 -9.151 -8.253 717 2HG PRO 94 HG3 PRO 94 12.003 -7.626 -8.310 718 1HD PRO 94 HD2 PRO 94 13.064 -8.641 -5.984 719 2HD PRO 94 HD3 PRO 94 11.513 -7.755 -6.000 720 HA PRO 95 HA PRO 95 9.076 -12.124 -8.633 721 1HB PRO 95 HB2 PRO 95 8.468 -14.735 -9.008 722 2HB PRO 95 HB3 PRO 95 9.493 -13.826 -10.158 723 1HG PRO 95 HG2 PRO 95 10.409 -15.659 -7.922 724 2HG PRO 95 HG3 PRO 95 10.938 -15.669 -9.628 725 1HD PRO 95 HD2 PRO 95 12.345 -14.382 -7.645 726 2HD PRO 95 HD3 PRO 95 12.270 -13.734 -9.306 727 H TYR 96 H TYR 96 7.288 -12.085 -7.266 728 HA TYR 96 HA TYR 96 7.592 -13.104 -4.527 729 1HB TYR 96 HB2 TYR 96 5.144 -11.819 -5.722 730 2HB TYR 96 HB3 TYR 96 5.598 -11.950 -4.029 731 HD1 TYR 96 HD1 TYR 96 7.561 -10.570 -3.156 732 HD2 TYR 96 HD2 TYR 96 6.045 -10.108 -7.167 733 HE1 TYR 96 HE1 TYR 96 8.856 -8.467 -3.412 734 HE2 TYR 96 HE2 TYR 96 7.551 -8.192 -7.506 735 HH TYR 96 HH TYR 96 8.854 -6.649 -6.489 736 H ALA 97 H ALA 97 6.174 -14.719 -3.646 737 HA ALA 97 HA ALA 97 5.742 -16.845 -5.551 738 1HB ALA 97 HB1 ALA 97 5.250 -16.658 -2.552 739 2HB ALA 97 HB2 ALA 97 5.133 -18.155 -3.505 740 3HB ALA 97 HB3 ALA 97 6.690 -17.314 -3.355 741 H VAL 98 H VAL 98 3.915 -17.851 -6.192 742 HA VAL 98 HA VAL 98 1.449 -16.402 -6.370 743 HB VAL 98 HB VAL 98 2.107 -19.351 -6.822 744 1HG1 VAL 98 HG13 VAL 98 -0.353 -17.741 -7.640 745 2HG1 VAL 98 HG11 VAL 98 0.035 -19.380 -8.200 746 3HG1 VAL 98 HG12 VAL 98 -0.319 -19.098 -6.494 747 1HG2 VAL 98 HG21 VAL 98 1.843 -17.013 -8.769 748 2HG2 VAL 98 HG22 VAL 98 3.362 -17.817 -8.323 749 3HG2 VAL 98 HG23 VAL 98 2.122 -18.706 -9.216 750 H MET 99 H MET 99 2.660 -19.013 -4.246 751 HA MET 99 HA MET 99 0.202 -19.064 -2.643 752 1HB MET 99 HB2 MET 99 2.967 -20.298 -2.281 753 2HB MET 99 HB3 MET 99 1.614 -20.501 -1.153 754 1HG MET 99 HG2 MET 99 0.264 -21.576 -2.879 755 2HG MET 99 HG3 MET 99 1.494 -21.259 -4.103 756 1HE MET 99 HE1 MET 99 0.641 -23.268 -0.853 757 2HE MET 99 HE2 MET 99 2.052 -24.345 -0.716 758 3HE MET 99 HE3 MET 99 2.240 -22.605 -0.416 759 HA PRO 100 HA PRO 100 1.784 -15.383 -0.675 760 1HB PRO 100 HB2 PRO 100 0.045 -15.017 1.366 761 2HB PRO 100 HB3 PRO 100 -0.437 -14.879 -0.351 762 1HG PRO 100 HG2 PRO 100 -0.802 -17.233 1.500 763 2HG PRO 100 HG3 PRO 100 -2.002 -16.477 0.413 764 1HD PRO 100 HD2 PRO 100 -0.512 -18.733 -0.260 765 2HD PRO 100 HD3 PRO 100 -1.065 -17.553 -1.477 766 H VAL 101 H VAL 101 3.783 -16.542 -0.182 767 HA VAL 101 HA VAL 101 4.053 -17.936 2.333 768 HB VAL 101 HB VAL 101 6.218 -16.728 0.562 769 1HG1 VAL 101 HG12 VAL 101 6.981 -17.208 2.904 770 2HG1 VAL 101 HG13 VAL 101 6.372 -18.864 2.745 771 3HG1 VAL 101 HG11 VAL 101 7.713 -18.303 1.725 772 1HG2 VAL 101 HG23 VAL 101 5.064 -19.556 0.705 773 2HG2 VAL 101 HG21 VAL 101 4.908 -18.434 -0.659 774 3HG2 VAL 101 HG22 VAL 101 6.494 -19.075 -0.231 775 H ILE 102 H ILE 102 3.502 -16.797 4.099 776 HA ILE 102 HA ILE 102 4.273 -14.013 4.469 777 HB ILE 102 HB ILE 102 3.425 -14.263 6.670 778 1HG1 ILE 102 HG12 ILE 102 2.264 -16.963 5.761 779 2HG1 ILE 102 HG13 ILE 102 3.608 -16.808 6.897 780 1HG2 ILE 102 HG22 ILE 102 2.134 -13.363 4.792 781 2HG2 ILE 102 HG23 ILE 102 1.514 -14.977 4.394 782 3HG2 ILE 102 HG21 ILE 102 1.042 -14.169 5.904 783 1HD1 ILE 102 HD13 ILE 102 2.114 -15.457 8.406 784 2HD1 ILE 102 HD11 ILE 102 0.756 -15.844 7.323 785 3HD1 ILE 102 HD12 ILE 102 1.608 -17.144 8.169 786 H ASP 103 H ASP 103 6.341 -14.371 3.984 787 HA ASP 103 HA ASP 103 8.307 -15.553 5.794 788 1HB ASP 103 HB2 ASP 103 8.500 -13.345 3.684 789 2HB ASP 103 HB3 ASP 103 9.889 -13.870 4.630 790 HD1 ASP 103 HD ASP 103 10.115 -17.003 3.083 791 HA PRO 104 HA PRO 104 8.221 -12.977 9.311 792 1HB PRO 104 HB2 PRO 104 10.984 -12.012 8.504 793 2HB PRO 104 HB3 PRO 104 10.365 -12.342 10.152 794 1HG PRO 104 HG2 PRO 104 11.753 -14.273 8.868 795 2HG PRO 104 HG3 PRO 104 10.218 -14.706 9.677 796 1HD PRO 104 HD2 PRO 104 10.721 -14.254 6.744 797 2HD PRO 104 HD3 PRO 104 9.695 -15.478 7.546 798 H ILE 105 H ILE 105 6.648 -11.465 9.056 799 HA ILE 105 HA ILE 105 6.957 -9.200 7.257 800 HB ILE 105 HB ILE 105 4.793 -9.981 9.230 801 1HG1 ILE 105 HG12 ILE 105 4.820 -11.512 7.366 802 2HG1 ILE 105 HG13 ILE 105 3.454 -10.418 7.184 803 1HG2 ILE 105 HG23 ILE 105 4.886 -7.640 7.294 804 2HG2 ILE 105 HG21 ILE 105 3.406 -8.249 8.063 805 3HG2 ILE 105 HG22 ILE 105 4.703 -7.587 9.057 806 1HD1 ILE 105 HD13 ILE 105 4.957 -9.045 5.564 807 2HD1 ILE 105 HD11 ILE 105 6.056 -10.435 5.617 808 3HD1 ILE 105 HD12 ILE 105 4.411 -10.645 5.019 809 H VAL 106 H VAL 106 7.599 -7.187 7.739 810 HA VAL 106 HA VAL 106 8.619 -6.699 10.488 811 HB VAL 106 HB VAL 106 8.800 -5.087 7.895 812 1HG1 VAL 106 HG13 VAL 106 10.134 -4.644 10.613 813 2HG1 VAL 106 HG11 VAL 106 10.453 -3.721 9.130 814 3HG1 VAL 106 HG12 VAL 106 8.871 -3.609 9.919 815 1HG2 VAL 106 HG21 VAL 106 10.857 -6.754 9.396 816 2HG2 VAL 106 HG22 VAL 106 10.136 -7.148 7.822 817 3HG2 VAL 106 HG23 VAL 106 11.175 -5.728 7.983 818 H ALA 107 H ALA 107 6.887 -4.598 8.236 819 HA ALA 107 HA ALA 107 4.812 -4.031 10.322 820 1HB ALA 107 HB2 ALA 107 5.737 -2.237 8.034 821 2HB ALA 107 HB3 ALA 107 4.391 -1.913 9.155 822 3HB ALA 107 HB1 ALA 107 6.051 -1.974 9.764 823 H GLY 108 H GLY 108 2.562 -4.249 9.496 824 1HA GLY 108 HA2 GLY 108 2.129 -4.554 6.753 825 2HA GLY 108 HA3 GLY 108 2.245 -6.197 7.455 826 H THR 109 H THR 109 -0.109 -5.442 6.291 827 HA THR 109 HA THR 109 -1.945 -4.979 8.619 828 HB THR 109 HB THR 109 -3.493 -4.215 6.638 829 HG1 THR 109 HG1 THR 109 -0.920 -3.863 5.507 830 1HG2 THR 109 HG21 THR 109 -1.108 -2.594 7.614 831 2HG2 THR 109 HG22 THR 109 -2.510 -1.917 6.752 832 3HG2 THR 109 HG23 THR 109 -2.723 -2.670 8.347 833 H GLY 110 H GLY 110 -3.312 -6.557 9.101 834 1HA GLY 110 HA2 GLY 110 -3.152 -9.090 7.635 835 2HA GLY 110 HA3 GLY 110 -3.973 -8.753 9.161 836 H PHE 111 H PHE 111 -4.228 -7.536 5.821 837 HA PHE 111 HA PHE 111 -5.866 -7.489 4.265 838 1HB PHE 111 HB2 PHE 111 -7.539 -9.322 5.965 839 2HB PHE 111 HB3 PHE 111 -7.668 -9.090 4.273 840 HD1 PHE 111 HD1 PHE 111 -5.534 -9.637 2.786 841 HD2 PHE 111 HD2 PHE 111 -6.193 -11.167 6.764 842 HE1 PHE 111 HE1 PHE 111 -3.850 -11.424 2.391 843 HE2 PHE 111 HE2 PHE 111 -4.503 -12.937 6.358 844 HZ PHE 111 HZ PHE 111 -3.322 -13.058 4.168 845 H SER 112 H SER 112 -6.626 -5.439 4.187 846 HA SER 112 HA SER 112 -8.088 -4.305 6.461 847 1HB SER 112 HB2 SER 112 -7.992 -2.205 5.048 848 2HB SER 112 HB3 SER 112 -6.446 -2.967 5.413 849 HG SER 112 HG SER 112 -6.502 -3.863 3.276 850 HA PRO 113 HA PRO 113 -12.148 -5.161 5.485 851 1HB PRO 113 HB2 PRO 113 -13.557 -2.708 5.501 852 2HB PRO 113 HB3 PRO 113 -13.069 -3.677 6.915 853 1HG PRO 113 HG2 PRO 113 -11.586 -1.362 5.645 854 2HG PRO 113 HG3 PRO 113 -11.945 -1.598 7.376 855 1HD PRO 113 HD2 PRO 113 -9.546 -2.268 6.470 856 2HD PRO 113 HD3 PRO 113 -10.386 -3.472 7.468 857 H VAL 114 H VAL 114 -14.112 -4.865 4.166 858 HA VAL 114 HA VAL 114 -13.576 -4.092 1.324 859 HB VAL 114 HB VAL 114 -15.113 -6.468 2.425 860 1HG1 VAL 114 HG12 VAL 114 -14.653 -5.497 -0.425 861 2HG1 VAL 114 HG13 VAL 114 -15.358 -7.066 0.013 862 3HG1 VAL 114 HG11 VAL 114 -16.220 -5.572 0.404 863 1HG2 VAL 114 HG22 VAL 114 -12.538 -6.267 0.798 864 2HG2 VAL 114 HG23 VAL 114 -12.665 -6.813 2.486 865 3HG2 VAL 114 HG21 VAL 114 -13.393 -7.773 1.193 866 HA PRO 115 HA PRO 115 -16.993 -1.539 3.016 867 1HB PRO 115 HB2 PRO 115 -16.327 0.133 0.593 868 2HB PRO 115 HB3 PRO 115 -16.553 0.673 2.276 869 1HG PRO 115 HG2 PRO 115 -14.129 0.457 1.153 870 2HG PRO 115 HG3 PRO 115 -14.365 -0.066 2.859 871 1HD PRO 115 HD2 PRO 115 -14.240 -1.764 0.343 872 2HD PRO 115 HD3 PRO 115 -13.415 -1.979 1.917 873 H LYS 116 H LYS 116 -18.775 -0.243 1.816 874 HA LYS 116 HA LYS 116 -20.000 -1.805 -0.414 875 1HB LYS 116 HB2 LYS 116 -21.411 -0.153 1.721 876 2HB LYS 116 HB3 LYS 116 -22.165 -1.175 0.489 877 1HG LYS 116 HG2 LYS 116 -20.489 -2.130 2.851 878 2HG LYS 116 HG3 LYS 116 -22.240 -2.252 2.665 879 1HD LYS 116 HD2 LYS 116 -21.922 -3.730 0.672 880 2HD LYS 116 HD3 LYS 116 -20.163 -3.650 0.910 881 1HE LYS 116 HE2 LYS 116 -20.406 -4.620 3.175 882 2HE LYS 116 HE3 LYS 116 -22.159 -4.760 2.926 883 1HZ LYS 116 HZ1 LYS 116 -20.079 -6.068 1.317 884 2HZ LYS 116 HZ2 LYS 116 -21.016 -6.795 2.461 885 3HZ LYS 116 HZ3 LYS 116 -21.704 -6.213 1.081 886 H ASP 117 H ASP 117 -21.914 0.216 -1.025 887 HA ASP 117 HA ASP 117 -20.327 1.907 -2.704 888 1HB ASP 117 HB2 ASP 117 -22.438 2.975 -3.283 889 2HB ASP 117 HB3 ASP 117 -22.697 1.228 -3.183 890 HD2 ASP 117 HD ASP 117 -24.580 3.702 -0.688 891 H GLY 118 H GLY 118 -20.053 4.207 -2.606 892 1HA GLY 118 HA2 GLY 118 -19.916 6.299 -1.703 893 2HA GLY 118 HA3 GLY 118 -20.927 5.795 -0.348 894 H LYS 119 H LYS 119 -19.456 3.804 0.853 895 HA LYS 119 HA LYS 119 -17.497 5.459 2.193 896 1HB LYS 119 HB2 LYS 119 -18.302 2.598 2.812 897 2HB LYS 119 HB3 LYS 119 -17.380 3.700 3.841 898 1HG LYS 119 HG2 LYS 119 -19.559 5.282 3.399 899 2HG LYS 119 HG3 LYS 119 -20.298 3.710 3.109 900 1HD LYS 119 HD2 LYS 119 -20.700 3.907 5.356 901 2HD LYS 119 HD3 LYS 119 -19.135 3.098 5.456 902 1HE LYS 119 HE2 LYS 119 -19.659 6.121 5.647 903 2HE LYS 119 HE3 LYS 119 -19.338 5.040 7.008 904 1HZ LYS 119 HZ2 LYS 119 -17.181 4.622 6.111 905 2HZ LYS 119 HZ3 LYS 119 -17.437 5.642 4.844 906 3HZ LYS 119 HZ1 LYS 119 -17.394 6.224 6.382 907 H PHE 120 H PHE 120 -15.373 4.791 2.755 908 HA PHE 120 HA PHE 120 -13.907 3.195 0.684 909 1HB PHE 120 HB2 PHE 120 -13.768 6.052 1.495 910 2HB PHE 120 HB3 PHE 120 -12.235 5.313 1.143 911 HD1 PHE 120 HD1 PHE 120 -11.974 4.048 -1.112 912 HD2 PHE 120 HD2 PHE 120 -15.580 6.124 -0.263 913 HE1 PHE 120 HE1 PHE 120 -12.417 4.238 -3.557 914 HE2 PHE 120 HE2 PHE 120 -16.140 6.182 -2.671 915 HZ PHE 120 HZ PHE 120 -14.470 5.410 -4.346 916 H GLY 121 H GLY 121 -12.909 1.672 1.738 917 1HA GLY 121 HA2 GLY 121 -12.391 1.634 4.594 918 2HA GLY 121 HA3 GLY 121 -11.931 0.411 3.396 919 H TYR 122 H TYR 122 -10.586 2.476 5.515 920 HA TYR 122 HA TYR 122 -8.158 2.600 3.938 921 1HB TYR 122 HB2 TYR 122 -7.554 4.837 4.538 922 2HB TYR 122 HB3 TYR 122 -9.113 4.880 3.772 923 HD1 TYR 122 HD1 TYR 122 -11.107 4.830 5.691 924 HD2 TYR 122 HD2 TYR 122 -7.105 6.311 6.183 925 HE1 TYR 122 HE1 TYR 122 -11.878 6.324 7.543 926 HE2 TYR 122 HE2 TYR 122 -7.906 7.914 7.876 927 HH TYR 122 HH TYR 122 -9.735 8.739 9.023 928 H THR 123 H THR 123 -6.243 3.005 5.306 929 HA THR 123 HA THR 123 -6.537 2.187 8.102 930 HB THR 123 HB THR 123 -5.149 0.493 5.991 931 HG1 THR 123 HG1 THR 123 -7.581 0.409 7.058 932 1HG2 THR 123 HG22 THR 123 -3.793 0.655 8.072 933 2HG2 THR 123 HG23 THR 123 -5.173 0.026 8.985 934 3HG2 THR 123 HG21 THR 123 -4.397 -0.956 7.740 935 H ASP 124 H ASP 124 -5.159 3.418 9.136 936 HA ASP 124 HA ASP 124 -2.794 4.640 7.757 937 1HB ASP 124 HB2 ASP 124 -4.359 5.483 10.241 938 2HB ASP 124 HB3 ASP 124 -2.874 6.240 9.660 939 HD2 ASP 124 HD ASP 124 -5.739 8.133 8.448 940 H PHE 125 H PHE 125 -1.113 3.153 8.158 941 HA PHE 125 HA PHE 125 -0.787 2.373 11.031 942 1HB PHE 125 HB2 PHE 125 0.237 0.376 10.517 943 2HB PHE 125 HB3 PHE 125 -1.335 0.411 9.724 944 HD1 PHE 125 HD2 PHE 125 2.335 0.292 9.294 945 HD2 PHE 125 HD1 PHE 125 -1.451 0.435 7.225 946 HE1 PHE 125 HE2 PHE 125 3.351 -0.833 7.335 947 HE2 PHE 125 HE1 PHE 125 -0.445 -0.774 5.315 948 HZ PHE 125 HZ PHE 125 1.949 -1.494 5.411 949 H THR 126 H THR 126 1.431 2.497 11.771 950 HA THR 126 HA THR 126 3.122 4.375 10.178 951 HB THR 126 HB THR 126 3.101 3.906 13.179 952 HG1 THR 126 HG1 THR 126 1.181 4.871 12.374 953 1HG2 THR 126 HG22 THR 126 4.407 6.058 11.445 954 2HG2 THR 126 HG23 THR 126 4.305 6.096 13.214 955 3HG2 THR 126 HG21 THR 126 5.253 4.835 12.417 956 H TRP 127 H TRP 127 5.399 3.971 10.061 957 HA TRP 127 HA TRP 127 6.510 1.557 11.273 958 1HB TRP 127 HB2 TRP 127 5.590 0.677 9.184 959 2HB TRP 127 HB3 TRP 127 6.322 1.987 8.267 960 HD1 TRP 127 HD1 TRP 127 8.053 -0.340 10.818 961 HE1 TRP 127 HE1 TRP 127 10.002 -1.532 9.694 962 HE3 TRP 127 HE3 TRP 127 7.366 1.334 6.047 963 HZ2 TRP 127 HZ2 TRP 127 11.059 -1.837 6.997 964 HZ3 TRP 127 HZ3 TRP 127 8.971 0.705 4.256 965 HH2 TRP 127 HH2 TRP 127 10.698 -0.974 4.669 966 H HIS 128 H HIS 128 8.769 1.669 11.400 967 HA HIS 128 HA HIS 128 10.098 4.186 10.522 968 1HB HIS 128 HB2 HIS 128 10.429 2.603 13.082 969 2HB HIS 128 HB3 HIS 128 11.673 3.683 12.444 970 HD1 HIS 128 HD1 HIS 128 8.389 3.860 14.303 971 HD2 HIS 128 HD2 HIS 128 10.879 6.322 11.954 972 HE1 HIS 128 HE1 HIS 128 7.537 6.268 14.596 973 HE2 HIS 128 HE2 HIS 128 9.051 7.748 13.129 974 HA PRO 129 HA PRO 129 11.860 0.677 8.287 975 1HB PRO 129 HB2 PRO 129 12.836 1.935 6.135 976 2HB PRO 129 HB3 PRO 129 11.092 1.951 6.473 977 1HG PRO 129 HG2 PRO 129 13.088 4.116 7.222 978 2HG PRO 129 HG3 PRO 129 11.582 4.309 6.277 979 1HD PRO 129 HD2 PRO 129 11.686 4.703 8.982 980 2HD PRO 129 HD3 PRO 129 10.239 3.981 8.209 981 H THR 130 H THR 130 14.248 0.616 7.004 982 HA THR 130 HA THR 130 16.399 1.792 8.597 983 HB THR 130 HB THR 130 17.546 -0.458 8.643 984 HG1 THR 130 HG1 THR 130 16.197 -1.429 7.053 985 1HG2 THR 130 HG23 THR 130 16.402 0.423 10.668 986 2HG2 THR 130 HG21 THR 130 14.921 -0.443 10.198 987 3HG2 THR 130 HG22 THR 130 16.394 -1.352 10.591 988 H ALA 131 H ALA 131 18.302 1.966 7.242 989 HA ALA 131 HA ALA 131 17.560 2.409 4.586 990 1HB ALA 131 HB1 ALA 131 19.356 3.668 5.702 991 2HB ALA 131 HB2 ALA 131 20.402 2.229 5.626 992 3HB ALA 131 HB3 ALA 131 19.860 3.028 4.127 993 H GLY 132 H GLY 132 18.252 1.515 2.611 994 1HA GLY 132 HA2 GLY 132 19.486 -0.190 1.361 995 2HA GLY 132 HA3 GLY 132 18.975 -1.396 2.574 996 H THR 133 H THR 133 17.303 -2.607 1.685 997 HA THR 133 HA THR 133 15.186 -1.225 0.171 998 HB THR 133 HB THR 133 16.701 -3.640 -0.889 999 HG1 THR 133 HG1 THR 133 17.477 -2.141 -2.428 1000 1HG2 THR 133 HG21 THR 133 14.545 -1.869 -2.138 1001 2HG2 THR 133 HG22 THR 133 15.432 -3.156 -2.982 1002 3HG2 THR 133 HG23 THR 133 14.346 -3.565 -1.651 1003 H TYR 134 H TYR 134 13.235 -2.117 0.435 1004 HA TYR 134 HA TYR 134 12.871 -4.803 1.651 1005 1HB TYR 134 HB2 TYR 134 11.558 -2.171 2.459 1006 2HB TYR 134 HB3 TYR 134 10.869 -3.730 2.851 1007 HD1 TYR 134 HD1 TYR 134 12.212 -5.376 4.288 1008 HD2 TYR 134 HD2 TYR 134 13.158 -1.193 3.905 1009 HE1 TYR 134 HE1 TYR 134 13.077 -5.361 6.604 1010 HE2 TYR 134 HE2 TYR 134 13.776 -1.129 6.272 1011 HH TYR 134 HH TYR 134 14.441 -2.497 8.141 1012 H TYR 135 H TYR 135 10.339 -5.244 1.294 1013 HA TYR 135 HA TYR 135 9.329 -3.905 -1.098 1014 1HB TYR 135 HB2 TYR 135 9.478 -6.923 -0.954 1015 2HB TYR 135 HB3 TYR 135 8.776 -5.970 -2.238 1016 HD1 TYR 135 HD1 TYR 135 12.042 -6.810 -0.592 1017 HD2 TYR 135 HD2 TYR 135 10.077 -5.290 -4.091 1018 HE1 TYR 135 HE1 TYR 135 14.214 -6.767 -1.774 1019 HE2 TYR 135 HE2 TYR 135 12.244 -5.289 -5.300 1020 HH TYR 135 HH TYR 135 14.524 -5.624 -5.145 1021 H TYR 136 H TYR 136 7.014 -4.020 -1.164 1022 HA TYR 136 HA TYR 136 5.788 -5.398 1.166 1023 1HB TYR 136 HB2 TYR 136 4.207 -3.786 1.507 1024 2HB TYR 136 HB3 TYR 136 5.704 -2.886 1.335 1025 HD1 TYR 136 HD1 TYR 136 6.076 -1.484 -0.729 1026 HD2 TYR 136 HD2 TYR 136 2.354 -3.525 0.019 1027 HE1 TYR 136 HE1 TYR 136 4.871 0.194 -2.095 1028 HE2 TYR 136 HE2 TYR 136 1.163 -1.839 -1.353 1029 HH TYR 136 HH TYR 136 2.881 0.551 -3.207 1030 H VAL 137 H VAL 137 3.898 -6.499 0.837 1031 HA VAL 137 HA VAL 137 2.971 -6.946 -1.950 1032 HB VAL 137 HB VAL 137 3.147 -9.390 -1.555 1033 1HG1 VAL 137 HG12 VAL 137 4.857 -8.278 -2.909 1034 2HG1 VAL 137 HG13 VAL 137 5.863 -8.017 -1.466 1035 3HG1 VAL 137 HG11 VAL 137 5.510 -9.661 -2.022 1036 1HG2 VAL 137 HG22 VAL 137 3.328 -9.388 0.940 1037 2HG2 VAL 137 HG23 VAL 137 4.623 -10.304 0.169 1038 3HG2 VAL 137 HG21 VAL 137 4.953 -8.686 0.810 1039 H CYS 138 H CYS 138 0.918 -7.921 -2.057 1040 HA CYS 138 HA CYS 138 -0.763 -7.803 0.413 1041 1HB CYS 138 HB2 CYS 138 -1.739 -6.695 -1.499 1042 2HB CYS 138 HB3 CYS 138 -1.315 -8.037 -2.554 1043 H GLN 139 H GLN 139 -0.531 -9.710 1.564 1044 HA GLN 139 HA GLN 139 0.246 -12.196 0.276 1045 1HB GLN 139 HB2 GLN 139 -0.535 -11.477 3.115 1046 2HB GLN 139 HB3 GLN 139 0.032 -13.078 2.660 1047 1HG GLN 139 HG2 GLN 139 1.700 -10.604 2.085 1048 2HG GLN 139 HG3 GLN 139 1.744 -11.462 3.625 1049 1HE2 GLN 139 HE21 GLN 139 4.457 -13.243 2.174 1050 2HE2 GLN 139 HE22 GLN 139 4.091 -11.783 3.084 1051 H ILE 140 H ILE 140 -2.085 -11.497 -0.977 1052 HA ILE 140 HA ILE 140 -4.037 -13.566 -0.069 1053 HB ILE 140 HB ILE 140 -4.322 -11.255 -2.008 1054 1HG1 ILE 140 HG12 ILE 140 -5.591 -12.010 0.662 1055 2HG1 ILE 140 HG13 ILE 140 -4.611 -10.584 0.293 1056 1HG2 ILE 140 HG21 ILE 140 -5.431 -13.297 -2.941 1057 2HG2 ILE 140 HG22 ILE 140 -6.379 -13.421 -1.436 1058 3HG2 ILE 140 HG23 ILE 140 -6.566 -12.034 -2.520 1059 1HD1 ILE 140 HD13 ILE 140 -6.494 -9.821 -1.241 1060 2HD1 ILE 140 HD11 ILE 140 -7.462 -11.165 -0.590 1061 3HD1 ILE 140 HD12 ILE 140 -6.885 -9.895 0.487 1062 HA PRO 141 HA PRO 141 -1.868 -16.150 -2.955 1063 1HB PRO 141 HB2 PRO 141 -4.625 -16.956 -3.925 1064 2HB PRO 141 HB3 PRO 141 -3.212 -18.010 -3.619 1065 1HG PRO 141 HG2 PRO 141 -5.177 -17.820 -1.758 1066 2HG PRO 141 HG3 PRO 141 -3.471 -17.749 -1.236 1067 1HD PRO 141 HD2 PRO 141 -5.405 -15.474 -1.636 1068 2HD PRO 141 HD3 PRO 141 -4.230 -15.736 -0.316 1069 H GLY 142 H GLY 142 -1.031 -15.941 -4.985 1070 1HA GLY 142 HA2 GLY 142 -0.797 -15.344 -7.178 1071 2HA GLY 142 HA3 GLY 142 -2.517 -14.955 -7.255 1072 H HIS 143 H HIS 143 -2.689 -12.947 -5.336 1073 HA HIS 143 HA HIS 143 -2.414 -10.671 -6.786 1074 1HB HIS 143 HB2 HIS 143 -2.363 -11.059 -3.782 1075 2HB HIS 143 HB3 HIS 143 -2.397 -9.482 -4.537 1076 HD2 HIS 143 HD2 HIS 143 -4.544 -12.222 -6.215 1077 HE1 HIS 143 HE1 HIS 143 -7.203 -9.568 -4.266 1078 HE2 HIS 143 HE2 HIS 143 -7.031 -11.550 -5.835 1079 H ALA 144 H ALA 144 0.059 -11.549 -4.303 1080 HA ALA 144 HA ALA 144 1.793 -9.384 -4.827 1081 1HB ALA 144 HB3 ALA 144 1.959 -10.889 -2.865 1082 2HB ALA 144 HB1 ALA 144 2.613 -12.168 -3.913 1083 3HB ALA 144 HB2 ALA 144 3.506 -10.645 -3.709 1084 H ALA 145 H ALA 145 1.894 -12.716 -6.138 1085 HA ALA 145 HA ALA 145 4.205 -12.397 -7.764 1086 1HB ALA 145 HB1 ALA 145 3.300 -14.580 -7.026 1087 2HB ALA 145 HB2 ALA 145 1.884 -14.348 -8.073 1088 3HB ALA 145 HB3 ALA 145 3.505 -14.507 -8.781 1089 H THR 146 H THR 146 0.755 -11.911 -8.437 1090 HA THR 146 HA THR 146 1.164 -11.617 -11.295 1091 HB THR 146 HB THR 146 -1.252 -10.933 -11.283 1092 HG1 THR 146 HG1 THR 146 -1.068 -11.627 -8.538 1093 1HG2 THR 146 HG22 THR 146 -0.533 -13.562 -9.911 1094 2HG2 THR 146 HG23 THR 146 -2.086 -13.181 -10.685 1095 3HG2 THR 146 HG21 THR 146 -0.605 -13.258 -11.656 1096 H GLY 147 H GLY 147 0.942 -9.275 -8.555 1097 1HA GLY 147 HA2 GLY 147 2.449 -7.440 -10.034 1098 2HA GLY 147 HA3 GLY 147 0.778 -7.001 -10.378 1099 H MET 148 H MET 148 -0.062 -7.737 -7.448 1100 HA MET 148 HA MET 148 0.562 -4.962 -6.676 1101 1HB MET 148 HB2 MET 148 -0.938 -5.185 -4.864 1102 2HB MET 148 HB3 MET 148 -1.594 -5.275 -6.485 1103 1HG MET 148 HG2 MET 148 -2.138 -7.601 -6.174 1104 2HG MET 148 HG3 MET 148 -1.108 -7.680 -4.734 1105 1HE MET 148 HE2 MET 148 -4.304 -5.854 -6.255 1106 2HE MET 148 HE3 MET 148 -4.886 -5.005 -4.800 1107 3HE MET 148 HE1 MET 148 -3.358 -4.521 -5.528 1108 H PHE 149 H PHE 149 2.671 -5.071 -6.450 1109 HA PHE 149 HA PHE 149 3.454 -5.553 -3.677 1110 1HB PHE 149 HB2 PHE 149 5.556 -6.578 -4.324 1111 2HB PHE 149 HB3 PHE 149 4.244 -7.448 -5.098 1112 HD1 PHE 149 HD1 PHE 149 6.987 -4.966 -5.695 1113 HD2 PHE 149 HD2 PHE 149 4.049 -7.545 -7.517 1114 HE1 PHE 149 HE1 PHE 149 7.973 -4.522 -7.919 1115 HE2 PHE 149 HE2 PHE 149 5.093 -7.160 -9.729 1116 HZ PHE 149 HZ PHE 149 7.068 -5.659 -9.934 1117 H GLY 150 H GLY 150 5.619 -4.245 -3.354 1118 1HA GLY 150 HA2 GLY 150 6.180 -2.106 -5.357 1119 2HA GLY 150 HA3 GLY 150 5.540 -1.587 -3.789 1120 H LYS 151 H LYS 151 8.307 -1.789 -5.386 1121 HA LYS 151 HA LYS 151 10.013 -3.037 -3.349 1122 1HB LYS 151 HB2 LYS 151 11.008 -1.191 -5.514 1123 2HB LYS 151 HB3 LYS 151 11.816 -2.550 -4.739 1124 1HG LYS 151 HG2 LYS 151 10.198 -4.085 -6.002 1125 2HG LYS 151 HG3 LYS 151 9.582 -2.639 -6.816 1126 1HD LYS 151 HD2 LYS 151 11.913 -2.125 -7.613 1127 2HD LYS 151 HD3 LYS 151 12.463 -3.637 -6.896 1128 1HE LYS 151 HE2 LYS 151 12.102 -4.036 -9.236 1129 2HE LYS 151 HE3 LYS 151 10.797 -4.867 -8.374 1130 1HZ LYS 151 HZ3 LYS 151 10.619 -2.224 -9.660 1131 2HZ LYS 151 HZ1 LYS 151 10.019 -3.629 -10.275 1132 3HZ LYS 151 HZ2 LYS 151 9.381 -2.991 -8.898 1133 H ILE 152 H ILE 152 10.845 -1.906 -1.628 1134 HA ILE 152 HA ILE 152 10.304 1.035 -1.448 1135 HB ILE 152 HB ILE 152 10.651 -0.962 0.815 1136 1HG1 ILE 152 HG12 ILE 152 8.125 0.156 -0.444 1137 2HG1 ILE 152 HG13 ILE 152 8.579 -1.541 -0.171 1138 1HG2 ILE 152 HG21 ILE 152 11.301 1.510 1.137 1139 2HG2 ILE 152 HG22 ILE 152 9.603 1.879 0.808 1140 3HG2 ILE 152 HG23 ILE 152 10.070 0.902 2.231 1141 1HD1 ILE 152 HD13 ILE 152 8.522 -1.083 2.308 1142 2HD1 ILE 152 HD11 ILE 152 7.807 0.506 1.940 1143 3HD1 ILE 152 HD12 ILE 152 6.949 -0.964 1.490 1144 H VAL 153 H VAL 153 12.253 1.881 -2.222 1145 HA VAL 153 HA VAL 153 14.810 0.704 -1.228 1146 HB VAL 153 HB VAL 153 14.382 3.101 -3.004 1147 1HG1 VAL 153 HG11 VAL 153 16.794 1.355 -2.272 1148 2HG1 VAL 153 HG12 VAL 153 16.825 2.566 -3.573 1149 3HG1 VAL 153 HG13 VAL 153 16.573 3.072 -1.897 1150 1HG2 VAL 153 HG22 VAL 153 14.946 0.184 -3.748 1151 2HG2 VAL 153 HG23 VAL 153 13.492 1.113 -4.174 1152 3HG2 VAL 153 HG21 VAL 153 15.052 1.546 -4.880 1153 H VAL 154 H VAL 154 15.366 1.357 0.804 1154 HA VAL 154 HA VAL 154 14.356 3.981 1.829 1155 HB VAL 154 HB VAL 154 15.501 1.591 3.313 1156 1HG1 VAL 154 HG12 VAL 154 15.773 3.841 4.406 1157 2HG1 VAL 154 HG13 VAL 154 14.016 4.081 4.278 1158 3HG1 VAL 154 HG11 VAL 154 14.681 2.797 5.303 1159 1HG2 VAL 154 HG22 VAL 154 12.612 2.498 2.957 1160 2HG2 VAL 154 HG23 VAL 154 13.328 0.994 2.324 1161 3HG2 VAL 154 HG21 VAL 154 13.173 1.222 4.062 1162 H LYS 155 H LYS 155 15.885 5.414 0.953 1163 HA LYS 155 HA LYS 155 18.547 5.265 2.167 1164 1HB LYS 155 HB2 LYS 155 18.361 5.378 -0.874 1165 2HB LYS 155 HB3 LYS 155 19.814 5.572 0.135 1166 1HG LYS 155 HG2 LYS 155 19.567 3.256 0.960 1167 2HG LYS 155 HG3 LYS 155 18.177 3.023 -0.118 1168 1HD LYS 155 HD2 LYS 155 19.590 3.428 -2.092 1169 2HD LYS 155 HD3 LYS 155 20.977 3.780 -1.047 1170 1HE LYS 155 HE2 LYS 155 21.163 1.503 -1.886 1171 2HE LYS 155 HE3 LYS 155 20.901 1.468 -0.137 1172 1HZ LYS 155 HZ3 LYS 155 18.859 1.018 -2.203 1173 2HZ LYS 155 HZ1 LYS 155 19.563 -0.142 -1.276 1174 3HZ LYS 155 HZ2 LYS 155 18.579 0.977 -0.579 No H/Q in entry = 1174 Start of MODEL 2 1 H GLY 1 H GLY 1 -7.073 -7.736 8.588 2 1HA GLY 1 HA2 GLY 1 -6.278 -9.986 10.175 3 2HA GLY 1 HA3 GLY 1 -4.900 -9.354 9.247 4 H THR 2 H THR 2 -4.701 -9.200 11.985 5 HA THR 2 HA THR 2 -5.741 -6.786 13.143 6 HB THR 2 HB THR 2 -3.875 -7.355 14.828 7 HG1 THR 2 HG1 THR 2 -2.998 -9.487 14.452 8 1HG2 THR 2 HG23 THR 2 -5.851 -9.576 14.097 9 2HG2 THR 2 HG21 THR 2 -5.035 -9.374 15.660 10 3HG2 THR 2 HG22 THR 2 -6.205 -8.163 15.112 11 H LEU 3 H LEU 3 -2.360 -7.590 12.726 12 HA LEU 3 HA LEU 3 -0.532 -6.234 12.403 13 1HB LEU 3 HB2 LEU 3 -2.081 -6.776 9.964 14 2HB LEU 3 HB3 LEU 3 -0.825 -5.596 9.708 15 HG LEU 3 HG LEU 3 -0.186 -8.200 11.150 16 1HD1 LEU 3 HD12 LEU 3 -0.245 -7.692 8.139 17 2HD1 LEU 3 HD13 LEU 3 0.448 -9.128 8.927 18 3HD1 LEU 3 HD11 LEU 3 -1.296 -8.824 9.022 19 1HD2 LEU 3 HD23 LEU 3 1.481 -6.360 11.186 20 2HD2 LEU 3 HD21 LEU 3 2.044 -7.797 10.314 21 3HD2 LEU 3 HD22 LEU 3 1.478 -6.380 9.414 22 H ASP 4 H ASP 4 -2.567 -4.203 10.314 23 HA ASP 4 HA ASP 4 -1.385 -1.738 11.133 24 1HB ASP 4 HB2 ASP 4 -2.547 -1.520 9.152 25 2HB ASP 4 HB3 ASP 4 -3.875 -2.591 9.664 26 HD2 ASP 4 HD ASP 4 -5.794 0.064 9.720 27 H THR 5 H THR 5 -4.344 -3.381 12.224 28 HA THR 5 HA THR 5 -5.779 -3.109 13.871 29 HB THR 5 HB THR 5 -5.159 -2.463 16.056 30 HG1 THR 5 HG1 THR 5 -2.852 -1.319 14.894 31 1HG2 THR 5 HG22 THR 5 -4.319 -4.636 15.175 32 2HG2 THR 5 HG23 THR 5 -2.779 -3.852 14.754 33 3HG2 THR 5 HG21 THR 5 -3.284 -3.952 16.447 34 H THR 6 H THR 6 -4.239 -0.009 12.994 35 HA THR 6 HA THR 6 -6.539 1.551 13.851 36 HB THR 6 HB THR 6 -4.155 2.371 12.075 37 HG1 THR 6 HG1 THR 6 -3.604 1.549 14.165 38 1HG2 THR 6 HG23 THR 6 -6.157 3.942 13.766 39 2HG2 THR 6 HG21 THR 6 -4.742 4.609 12.917 40 3HG2 THR 6 HG22 THR 6 -6.096 3.935 11.991 41 H TRP 7 H TRP 7 -7.951 -0.023 12.762 42 HA TRP 7 HA TRP 7 -8.310 0.256 9.816 43 1HB TRP 7 HB2 TRP 7 -9.283 -1.722 11.915 44 2HB TRP 7 HB3 TRP 7 -9.963 -1.649 10.297 45 HD1 TRP 7 HD1 TRP 7 -7.594 -3.635 12.073 46 HE1 TRP 7 HE1 TRP 7 -6.102 -4.965 10.475 47 HE3 TRP 7 HE3 TRP 7 -8.467 -0.987 7.779 48 HZ2 TRP 7 HZ2 TRP 7 -5.387 -4.871 7.686 49 HZ3 TRP 7 HZ3 TRP 7 -7.176 -1.475 5.734 50 HH2 TRP 7 HH2 TRP 7 -5.702 -3.485 5.632 51 H LYS 8 H LYS 8 -10.009 1.423 8.995 52 HA LYS 8 HA LYS 8 -12.524 1.702 10.455 53 1HB LYS 8 HB2 LYS 8 -10.714 4.048 9.730 54 2HB LYS 8 HB3 LYS 8 -12.431 4.253 10.058 55 1HG LYS 8 HG2 LYS 8 -10.318 3.318 12.038 56 2HG LYS 8 HG3 LYS 8 -11.026 4.919 11.938 57 1HD LYS 8 HD2 LYS 8 -12.553 2.370 12.652 58 2HD LYS 8 HD3 LYS 8 -11.991 3.613 13.765 59 1HE LYS 8 HE2 LYS 8 -13.416 5.305 12.534 60 2HE LYS 8 HE3 LYS 8 -14.094 3.970 11.581 61 1HZ LYS 8 HZ2 LYS 8 -14.851 2.982 13.611 62 2HZ LYS 8 HZ3 LYS 8 -14.230 4.226 14.496 63 3HZ LYS 8 HZ1 LYS 8 -15.459 4.504 13.437 64 H GLU 9 H GLU 9 -13.962 3.216 8.853 65 HA GLU 9 HA GLU 9 -13.120 2.824 6.058 66 1HB GLU 9 HB2 GLU 9 -16.012 2.399 6.728 67 2HB GLU 9 HB3 GLU 9 -15.094 2.062 5.246 68 1HG GLU 9 HG2 GLU 9 -13.847 0.247 6.655 69 2HG GLU 9 HG3 GLU 9 -15.036 0.546 7.915 70 HE1 GLU 9 HE GLU 9 -15.835 -1.428 4.566 71 H ALA 10 H ALA 10 -13.295 4.723 5.003 72 HA ALA 10 HA ALA 10 -14.736 7.018 6.285 73 1HB ALA 10 HB3 ALA 10 -12.305 7.265 5.590 74 2HB ALA 10 HB1 ALA 10 -12.816 6.997 3.908 75 3HB ALA 10 HB2 ALA 10 -13.421 8.395 4.836 76 H THR 11 H THR 11 -15.131 8.268 3.557 77 HA THR 11 HA THR 11 -16.708 6.234 2.108 78 HB THR 11 HB THR 11 -18.610 7.609 1.857 79 HG1 THR 11 HG1 THR 11 -17.178 9.573 3.329 80 1HG2 THR 11 HG22 THR 11 -18.588 6.378 4.007 81 2HG2 THR 11 HG23 THR 11 -17.902 7.806 4.813 82 3HG2 THR 11 HG21 THR 11 -19.511 7.886 4.083 83 H LEU 12 H LEU 12 -17.314 7.162 -0.090 84 HA LEU 12 HA LEU 12 -15.157 7.420 -1.625 85 1HB LEU 12 HB2 LEU 12 -17.398 7.044 -2.426 86 2HB LEU 12 HB3 LEU 12 -17.830 8.733 -2.212 87 HG LEU 12 HG LEU 12 -15.403 8.132 -3.897 88 1HD1 LEU 12 HD13 LEU 12 -18.260 7.667 -4.861 89 2HD1 LEU 12 HD11 LEU 12 -16.807 7.680 -5.883 90 3HD1 LEU 12 HD12 LEU 12 -17.010 6.419 -4.656 91 1HD2 LEU 12 HD21 LEU 12 -17.730 10.086 -4.217 92 2HD2 LEU 12 HD22 LEU 12 -16.113 10.493 -3.614 93 3HD2 LEU 12 HD23 LEU 12 -16.319 9.971 -5.284 94 HA PRO 13 HA PRO 13 -15.029 12.171 -1.854 95 1HB PRO 13 HB2 PRO 13 -15.898 13.621 0.413 96 2HB PRO 13 HB3 PRO 13 -16.783 13.413 -1.124 97 1HG PRO 13 HG2 PRO 13 -17.041 11.759 1.396 98 2HG PRO 13 HG3 PRO 13 -18.352 12.440 0.389 99 1HD PRO 13 HD2 PRO 13 -17.676 9.886 0.118 100 2HD PRO 13 HD3 PRO 13 -17.904 10.863 -1.353 101 H GLN 14 H GLN 14 -14.541 10.464 1.259 102 HA GLN 14 HA GLN 14 -12.317 12.137 2.092 103 1HB GLN 14 HB2 GLN 14 -13.151 9.362 2.922 104 2HB GLN 14 HB3 GLN 14 -11.722 10.208 3.533 105 1HG GLN 14 HG2 GLN 14 -13.318 10.670 5.168 106 2HG GLN 14 HG3 GLN 14 -13.126 12.155 4.250 107 1HE2 GLN 14 HE22 GLN 14 -16.590 12.267 3.496 108 2HE2 GLN 14 HE21 GLN 14 -15.051 13.105 3.520 109 H VAL 15 H VAL 15 -12.702 9.500 -0.233 110 HA VAL 15 HA VAL 15 -9.971 8.667 -0.354 111 HB VAL 15 HB VAL 15 -11.874 9.004 -2.703 112 1HG1 VAL 15 HG12 VAL 15 -9.396 7.277 -2.323 113 2HG1 VAL 15 HG13 VAL 15 -10.522 7.166 -3.692 114 3HG1 VAL 15 HG11 VAL 15 -9.584 8.639 -3.441 115 1HG2 VAL 15 HG22 VAL 15 -12.881 7.554 -0.892 116 2HG2 VAL 15 HG23 VAL 15 -12.464 6.668 -2.360 117 3HG2 VAL 15 HG21 VAL 15 -11.414 6.580 -0.918 118 H LYS 16 H LYS 16 -11.671 11.439 -1.838 119 HA LYS 16 HA LYS 16 -9.440 12.453 -3.321 120 1HB LYS 16 HB2 LYS 16 -11.656 14.142 -2.119 121 2HB LYS 16 HB3 LYS 16 -10.660 14.471 -3.540 122 1HG LYS 16 HG2 LYS 16 -11.725 12.378 -4.596 123 2HG LYS 16 HG3 LYS 16 -12.883 12.404 -3.259 124 1HD LYS 16 HD2 LYS 16 -12.423 14.526 -5.393 125 2HD LYS 16 HD3 LYS 16 -13.877 13.562 -5.128 126 1HE LYS 16 HE2 LYS 16 -12.792 15.806 -3.355 127 2HE LYS 16 HE3 LYS 16 -14.256 15.829 -4.340 128 1HZ LYS 16 HZ1 LYS 16 -15.159 14.116 -2.946 129 2HZ LYS 16 HZ2 LYS 16 -13.796 14.094 -2.014 130 3HZ LYS 16 HZ3 LYS 16 -14.747 15.438 -2.054 131 H ALA 17 H ALA 17 -10.812 13.336 -0.127 132 HA ALA 17 HA ALA 17 -8.980 15.296 0.609 133 1HB ALA 17 HB1 ALA 17 -11.042 14.731 1.865 134 2HB ALA 17 HB2 ALA 17 -10.258 13.253 2.475 135 3HB ALA 17 HB3 ALA 17 -9.616 14.846 2.917 136 H MET 18 H MET 18 -8.685 11.753 1.160 137 HA MET 18 HA MET 18 -6.142 11.898 2.458 138 1HB MET 18 HB2 MET 18 -7.630 9.676 1.072 139 2HB MET 18 HB3 MET 18 -6.012 9.449 1.763 140 1HG MET 18 HG2 MET 18 -6.755 10.254 3.949 141 2HG MET 18 HG3 MET 18 -8.390 10.525 3.342 142 1HE MET 18 HE2 MET 18 -9.095 8.061 1.691 143 2HE MET 18 HE3 MET 18 -9.772 6.951 2.913 144 3HE MET 18 HE1 MET 18 -10.134 8.693 2.979 145 H LEU 19 H LEU 19 -6.961 11.150 -1.002 146 HA LEU 19 HA LEU 19 -4.302 10.921 -1.927 147 1HB LEU 19 HB2 LEU 19 -6.803 11.969 -3.286 148 2HB LEU 19 HB3 LEU 19 -5.279 11.750 -4.145 149 HG LEU 19 HG LEU 19 -6.634 9.463 -2.661 150 1HD1 LEU 19 HD13 LEU 19 -8.154 10.355 -4.400 151 2HD1 LEU 19 HD11 LEU 19 -6.850 10.248 -5.601 152 3HD1 LEU 19 HD12 LEU 19 -7.507 8.771 -4.865 153 1HD2 LEU 19 HD21 LEU 19 -4.538 9.521 -4.886 154 2HD2 LEU 19 HD22 LEU 19 -4.218 9.107 -3.193 155 3HD2 LEU 19 HD23 LEU 19 -5.257 8.067 -4.169 156 H GLU 20 H GLU 20 -6.261 13.887 -1.631 157 HA GLU 20 HA GLU 20 -4.436 15.715 -2.732 158 1HB GLU 20 HB2 GLU 20 -6.500 16.010 -0.521 159 2HB GLU 20 HB3 GLU 20 -5.630 17.379 -1.220 160 1HG GLU 20 HG2 GLU 20 -6.576 17.037 -3.394 161 2HG GLU 20 HG3 GLU 20 -7.237 15.459 -2.964 162 HE1 GLU 20 HE GLU 20 -9.060 18.718 -1.441 163 H LYS 21 H LYS 21 -4.161 14.037 0.381 164 HA LYS 21 HA LYS 21 -2.282 16.086 1.440 165 1HB LYS 21 HB2 LYS 21 -3.459 13.517 2.508 166 2HB LYS 21 HB3 LYS 21 -2.236 14.472 3.370 167 1HG LYS 21 HG2 LYS 21 -3.717 16.316 3.644 168 2HG LYS 21 HG3 LYS 21 -4.851 15.707 2.433 169 1HD LYS 21 HD2 LYS 21 -5.630 15.373 4.807 170 2HD LYS 21 HD3 LYS 21 -5.604 13.927 3.795 171 1HE LYS 21 HE2 LYS 21 -4.741 13.435 6.045 172 2HE LYS 21 HE3 LYS 21 -3.499 13.169 4.818 173 1HZ LYS 21 HZ2 LYS 21 -3.751 15.555 6.524 174 2HZ LYS 21 HZ3 LYS 21 -2.648 14.344 6.709 175 3HZ LYS 21 HZ1 LYS 21 -2.588 15.316 5.380 176 H ASP 22 H ASP 22 -2.112 13.388 -0.616 177 HA ASP 22 HA ASP 22 0.015 11.857 0.218 178 1HB ASP 22 HB2 ASP 22 -1.251 11.308 -1.792 179 2HB ASP 22 HB3 ASP 22 -0.719 12.810 -2.579 180 HD1 ASP 22 HD ASP 22 2.306 10.383 -1.812 181 H THR 23 H THR 23 2.231 11.782 -0.006 182 HA THR 23 HA THR 23 3.656 14.195 -1.061 183 HB THR 23 HB THR 23 5.411 13.804 0.636 184 HG1 THR 23 HG1 THR 23 3.598 11.818 1.476 185 1HG2 THR 23 HG23 THR 23 3.647 15.480 1.075 186 2HG2 THR 23 HG21 THR 23 2.649 14.245 1.864 187 3HG2 THR 23 HG22 THR 23 4.211 14.708 2.571 188 H GLY 24 H GLY 24 5.898 13.606 -1.800 189 1HA GLY 24 HA2 GLY 24 7.411 11.726 -2.509 190 2HA GLY 24 HA3 GLY 24 5.974 10.885 -3.041 191 H LYS 25 H LYS 25 8.506 12.692 -4.080 192 HA LYS 25 HA LYS 25 7.204 14.204 -6.251 193 1HB LYS 25 HB2 LYS 25 10.100 13.667 -5.488 194 2HB LYS 25 HB3 LYS 25 9.595 14.715 -6.821 195 1HG LYS 25 HG2 LYS 25 8.486 16.252 -5.352 196 2HG LYS 25 HG3 LYS 25 8.674 15.205 -3.946 197 1HD LYS 25 HD2 LYS 25 11.048 16.366 -5.462 198 2HD LYS 25 HD3 LYS 25 10.265 17.169 -4.090 199 1HE LYS 25 HE2 LYS 25 10.712 15.170 -2.657 200 2HE LYS 25 HE3 LYS 25 11.594 14.415 -3.993 201 1HZ LYS 25 HZ1 LYS 25 12.291 16.979 -2.756 202 2HZ LYS 25 HZ2 LYS 25 13.002 15.530 -2.430 203 3HZ LYS 25 HZ3 LYS 25 13.139 16.199 -3.936 204 H VAL 26 H VAL 26 7.347 13.560 -8.450 205 HA VAL 26 HA VAL 26 7.330 10.728 -8.911 206 HB VAL 26 HB VAL 26 7.293 13.127 -10.793 207 1HG1 VAL 26 HG11 VAL 26 6.875 10.171 -11.374 208 2HG1 VAL 26 HG12 VAL 26 6.346 11.480 -12.458 209 3HG1 VAL 26 HG13 VAL 26 8.063 11.261 -12.121 210 1HG2 VAL 26 HG23 VAL 26 5.089 11.280 -9.763 211 2HG2 VAL 26 HG21 VAL 26 5.330 12.972 -9.283 212 3HG2 VAL 26 HG22 VAL 26 4.873 12.585 -10.946 213 H SER 27 H SER 27 8.851 9.370 -9.890 214 HA SER 27 HA SER 27 11.289 10.486 -11.115 215 1HB SER 27 HB2 SER 27 11.335 8.521 -8.786 216 2HB SER 27 HB3 SER 27 12.732 9.055 -9.735 217 HG SER 27 HG SER 27 11.473 11.239 -8.911 218 H GLY 28 H GLY 28 9.719 9.678 -12.833 219 1HA GLY 28 HA2 GLY 28 9.330 8.176 -14.530 220 2HA GLY 28 HA3 GLY 28 10.607 7.133 -13.874 221 H ASP 29 H ASP 29 9.874 5.200 -13.036 222 HA ASP 29 HA ASP 29 6.999 4.756 -12.460 223 1HB ASP 29 HB2 ASP 29 8.218 2.889 -13.421 224 2HB ASP 29 HB3 ASP 29 9.484 3.009 -12.172 225 HD1 ASP 29 HD ASP 29 6.003 1.198 -11.306 226 H THR 30 H THR 30 10.026 5.539 -10.802 227 HA THR 30 HA THR 30 9.088 4.606 -8.253 228 HB THR 30 HB THR 30 11.587 6.158 -9.045 229 HG1 THR 30 HG1 THR 30 12.520 4.147 -9.176 230 1HG2 THR 30 HG21 THR 30 11.009 4.559 -6.536 231 2HG2 THR 30 HG22 THR 30 12.598 5.145 -7.057 232 3HG2 THR 30 HG23 THR 30 11.329 6.303 -6.640 233 H VAL 31 H VAL 31 8.778 5.976 -6.411 234 HA VAL 31 HA VAL 31 8.343 8.877 -6.956 235 HB VAL 31 HB VAL 31 6.658 6.987 -5.270 236 1HG1 VAL 31 HG12 VAL 31 6.577 10.027 -5.489 237 2HG1 VAL 31 HG13 VAL 31 5.363 9.030 -4.666 238 3HG1 VAL 31 HG11 VAL 31 7.018 9.091 -4.040 239 1HG2 VAL 31 HG23 VAL 31 6.093 8.766 -7.695 240 2HG2 VAL 31 HG21 VAL 31 6.065 6.992 -7.646 241 3HG2 VAL 31 HG22 VAL 31 4.840 7.930 -6.778 242 H THR 32 H THR 32 9.345 10.224 -5.449 243 HA THR 32 HA THR 32 11.275 8.846 -3.642 244 HB THR 32 HB THR 32 11.719 11.211 -5.504 245 HG1 THR 32 HG1 THR 32 12.218 9.745 -6.879 246 1HG2 THR 32 HG22 THR 32 13.626 9.713 -3.650 247 2HG2 THR 32 HG23 THR 32 14.126 10.866 -4.903 248 3HG2 THR 32 HG21 THR 32 13.152 11.420 -3.531 249 H TYR 33 H TYR 33 11.470 9.627 -1.664 250 HA TYR 33 HA TYR 33 9.848 12.026 -0.913 251 1HB TYR 33 HB2 TYR 33 10.792 9.608 0.662 252 2HB TYR 33 HB3 TYR 33 9.955 11.006 1.340 253 HD1 TYR 33 HD1 TYR 33 9.620 8.100 -0.997 254 HD2 TYR 33 HD2 TYR 33 7.565 11.276 1.082 255 HE1 TYR 33 HE1 TYR 33 7.480 7.379 -2.002 256 HE2 TYR 33 HE2 TYR 33 5.407 10.357 0.303 257 HH TYR 33 HH TYR 33 4.577 9.383 -1.636 258 H SER 34 H SER 34 10.895 12.954 1.255 259 HA SER 34 HA SER 34 13.802 13.007 1.308 260 1HB SER 34 HB2 SER 34 12.389 15.621 0.608 261 2HB SER 34 HB3 SER 34 14.122 15.353 0.859 262 HG SER 34 HG SER 34 13.559 13.636 -0.953 263 H GLY 35 H GLY 35 10.804 14.747 2.327 264 1HA GLY 35 HA2 GLY 35 11.784 15.400 4.951 265 2HA GLY 35 HA3 GLY 35 10.089 15.343 4.428 266 H LYS 36 H LYS 36 11.519 14.246 6.896 267 HA LYS 36 HA LYS 36 11.536 11.409 6.831 268 1HB LYS 36 HB2 LYS 36 11.014 13.395 9.077 269 2HB LYS 36 HB3 LYS 36 11.213 11.664 9.349 270 1HG LYS 36 HG2 LYS 36 13.356 13.327 7.945 271 2HG LYS 36 HG3 LYS 36 13.255 13.158 9.701 272 1HD LYS 36 HD2 LYS 36 13.416 10.698 9.510 273 2HD LYS 36 HD3 LYS 36 13.575 10.829 7.745 274 1HE LYS 36 HE2 LYS 36 15.649 12.092 7.964 275 2HE LYS 36 HE3 LYS 36 15.466 12.169 9.729 276 1HZ LYS 36 HZ2 LYS 36 15.671 9.803 9.805 277 2HZ LYS 36 HZ3 LYS 36 15.869 9.701 8.173 278 3HZ LYS 36 HZ1 LYS 36 16.988 10.479 9.089 279 H THR 37 H THR 37 8.863 13.725 7.237 280 HA THR 37 HA THR 37 6.936 11.731 8.019 281 HB THR 37 HB THR 37 6.405 14.494 6.855 282 HG1 THR 37 HG1 THR 37 7.129 13.795 9.504 283 1HG2 THR 37 HG21 THR 37 4.973 12.796 8.963 284 2HG2 THR 37 HG22 THR 37 4.498 14.424 8.431 285 3HG2 THR 37 HG23 THR 37 4.422 13.062 7.297 286 H VAL 38 H VAL 38 7.546 10.215 6.323 287 HA VAL 38 HA VAL 38 6.861 10.740 3.526 288 HB VAL 38 HB VAL 38 7.691 8.316 5.147 289 1HG1 VAL 38 HG12 VAL 38 6.982 8.411 2.185 290 2HG1 VAL 38 HG13 VAL 38 7.922 7.118 2.946 291 3HG1 VAL 38 HG11 VAL 38 6.242 7.383 3.421 292 1HG2 VAL 38 HG23 VAL 38 9.422 9.989 4.650 293 2HG2 VAL 38 HG21 VAL 38 9.710 8.483 3.752 294 3HG2 VAL 38 HG22 VAL 38 9.012 9.891 2.936 295 H HIS 39 H HIS 39 4.721 11.241 3.207 296 HA HIS 39 HA HIS 39 2.646 9.534 4.513 297 1HB HIS 39 HB2 HIS 39 2.442 11.846 5.107 298 2HB HIS 39 HB3 HIS 39 2.510 12.346 3.413 299 HD1 HIS 39 HD1 HIS 39 0.163 12.814 2.458 300 HD2 HIS 39 HD2 HIS 39 0.302 9.687 5.293 301 HE1 HIS 39 HE1 HIS 39 -2.155 11.706 2.466 302 HE2 HIS 39 HE2 HIS 39 -2.070 9.858 4.237 303 H VAL 40 H VAL 40 2.263 7.866 3.222 304 HA VAL 40 HA VAL 40 2.117 8.199 0.260 305 HB VAL 40 HB VAL 40 2.393 5.776 2.075 306 1HG1 VAL 40 HG12 VAL 40 2.262 5.885 -0.967 307 2HG1 VAL 40 HG13 VAL 40 2.786 4.478 -0.025 308 3HG1 VAL 40 HG11 VAL 40 1.127 5.051 0.118 309 1HG2 VAL 40 HG23 VAL 40 4.458 7.156 1.844 310 2HG2 VAL 40 HG21 VAL 40 4.622 5.546 1.133 311 3HG2 VAL 40 HG22 VAL 40 4.357 6.950 0.083 312 H VAL 41 H VAL 41 0.238 7.451 -0.853 313 HA VAL 41 HA VAL 41 -2.109 6.681 0.759 314 HB VAL 41 HB VAL 41 -2.191 8.644 -1.566 315 1HG1 VAL 41 HG11 VAL 41 -4.247 7.741 0.506 316 2HG1 VAL 41 HG12 VAL 41 -4.503 9.036 -0.667 317 3HG1 VAL 41 HG13 VAL 41 -4.261 7.367 -1.231 318 1HG2 VAL 41 HG21 VAL 41 -2.370 9.232 1.422 319 2HG2 VAL 41 HG22 VAL 41 -1.067 9.758 0.337 320 3HG2 VAL 41 HG23 VAL 41 -2.696 10.383 0.113 321 H ALA 42 H ALA 42 -2.215 4.595 0.283 322 HA ALA 42 HA ALA 42 -1.853 3.675 -2.525 323 1HB ALA 42 HB1 ALA 42 -0.260 2.733 -0.892 324 2HB ALA 42 HB2 ALA 42 -1.615 2.171 0.098 325 3HB ALA 42 HB3 ALA 42 -1.361 1.493 -1.522 326 H ALA 43 H ALA 43 -3.326 2.100 -3.365 327 HA ALA 43 HA ALA 43 -5.781 1.552 -1.864 328 1HB ALA 43 HB1 ALA 43 -6.232 3.674 -3.094 329 2HB ALA 43 HB2 ALA 43 -5.700 2.907 -4.604 330 3HB ALA 43 HB3 ALA 43 -7.156 2.319 -3.777 331 H ALA 44 H ALA 44 -7.067 -0.126 -2.970 332 HA ALA 44 HA ALA 44 -5.296 -2.013 -4.511 333 1HB ALA 44 HB3 ALA 44 -7.161 -2.581 -2.182 334 2HB ALA 44 HB1 ALA 44 -6.379 -3.795 -3.172 335 3HB ALA 44 HB2 ALA 44 -5.377 -2.692 -2.200 336 H VAL 45 H VAL 45 -6.129 -2.350 -6.480 337 HA VAL 45 HA VAL 45 -7.601 -2.549 -8.170 338 HB VAL 45 HB VAL 45 -8.956 -4.426 -6.205 339 1HG1 VAL 45 HG11 VAL 45 -9.989 -4.182 -8.536 340 2HG1 VAL 45 HG12 VAL 45 -8.421 -4.662 -9.203 341 3HG1 VAL 45 HG13 VAL 45 -9.342 -5.791 -8.194 342 1HG2 VAL 45 HG23 VAL 45 -6.376 -4.788 -7.743 343 2HG2 VAL 45 HG21 VAL 45 -6.596 -4.856 -5.978 344 3HG2 VAL 45 HG22 VAL 45 -7.299 -6.111 -7.007 345 H LEU 46 H LEU 46 -8.286 -0.239 -7.715 346 HA LEU 46 HA LEU 46 -10.954 0.108 -6.573 347 1HB LEU 46 HB2 LEU 46 -9.186 1.963 -8.219 348 2HB LEU 46 HB3 LEU 46 -10.705 2.445 -7.465 349 HG LEU 46 HG LEU 46 -8.181 1.524 -6.017 350 1HD1 LEU 46 HD13 LEU 46 -9.559 4.239 -6.259 351 2HD1 LEU 46 HD11 LEU 46 -8.131 3.899 -5.268 352 3HD1 LEU 46 HD12 LEU 46 -8.030 3.767 -7.031 353 1HD2 LEU 46 HD21 LEU 46 -10.920 2.367 -4.958 354 2HD2 LEU 46 HD22 LEU 46 -10.067 0.830 -4.666 355 3HD2 LEU 46 HD23 LEU 46 -9.453 2.326 -3.966 356 HA PRO 47 HA PRO 47 -13.519 -0.772 -10.079 357 1HB PRO 47 HB2 PRO 47 -14.490 2.082 -9.736 358 2HB PRO 47 HB3 PRO 47 -15.457 0.623 -10.101 359 1HG PRO 47 HG2 PRO 47 -15.333 1.523 -7.553 360 2HG PRO 47 HG3 PRO 47 -15.113 -0.224 -7.870 361 1HD PRO 47 HD2 PRO 47 -12.990 1.860 -7.341 362 2HD PRO 47 HD3 PRO 47 -13.135 0.193 -6.708 363 H GLY 48 H GLY 48 -12.856 -0.828 -12.171 364 1HA GLY 48 HA2 GLY 48 -12.427 0.251 -14.280 365 2HA GLY 48 HA3 GLY 48 -11.636 1.594 -13.454 366 H PHE 49 H PHE 49 -10.198 -0.288 -11.552 367 HA PHE 49 HA PHE 49 -7.931 -0.854 -13.384 368 1HB PHE 49 HB2 PHE 49 -8.060 -0.560 -10.388 369 2HB PHE 49 HB3 PHE 49 -6.614 -0.846 -11.350 370 HD1 PHE 49 HD2 PHE 49 -5.829 0.876 -13.015 371 HD2 PHE 49 HD1 PHE 49 -9.206 1.642 -10.465 372 HE1 PHE 49 HE2 PHE 49 -5.796 3.271 -13.664 373 HE2 PHE 49 HE1 PHE 49 -9.091 4.042 -11.015 374 HZ PHE 49 HZ PHE 49 -7.380 4.869 -12.618 375 HA PRO 50 HA PRO 50 -9.403 -5.099 -12.936 376 1HB PRO 50 HB2 PRO 50 -6.757 -5.660 -14.295 377 2HB PRO 50 HB3 PRO 50 -8.352 -6.390 -14.633 378 1HG PRO 50 HG2 PRO 50 -7.416 -4.421 -16.237 379 2HG PRO 50 HG3 PRO 50 -9.116 -4.363 -15.679 380 1HD PRO 50 HD2 PRO 50 -6.741 -2.854 -14.552 381 2HD PRO 50 HD3 PRO 50 -8.381 -2.280 -14.966 382 H PHE 51 H PHE 51 -8.745 -7.126 -11.944 383 HA PHE 51 HA PHE 51 -7.142 -6.804 -9.602 384 1HB PHE 51 HB2 PHE 51 -8.490 -9.132 -10.995 385 2HB PHE 51 HB3 PHE 51 -7.250 -9.489 -9.823 386 HD1 PHE 51 HD2 PHE 51 -10.557 -7.786 -10.193 387 HD2 PHE 51 HD1 PHE 51 -7.640 -9.495 -7.509 388 HE1 PHE 51 HE2 PHE 51 -12.202 -7.707 -8.337 389 HE2 PHE 51 HE1 PHE 51 -9.316 -9.440 -5.672 390 HZ PHE 51 HZ PHE 51 -11.554 -8.501 -6.071 391 HA PRO 52 HA PRO 52 -5.654 -7.414 -8.323 392 1HB PRO 52 HB2 PRO 52 -3.626 -8.695 -7.269 393 2HB PRO 52 HB3 PRO 52 -4.877 -9.614 -8.129 394 1HG PRO 52 HG2 PRO 52 -2.106 -8.952 -9.103 395 2HG PRO 52 HG3 PRO 52 -3.106 -10.410 -9.367 396 1HD PRO 52 HD2 PRO 52 -2.882 -8.066 -11.068 397 2HD PRO 52 HD3 PRO 52 -3.895 -9.511 -11.313 398 H SER 53 H SER 53 -5.142 -5.116 -9.611 399 HA SER 53 HA SER 53 -2.322 -4.327 -9.242 400 1HB SER 53 HB2 SER 53 -3.015 -2.328 -10.492 401 2HB SER 53 HB3 SER 53 -3.413 -3.826 -11.345 402 HG SER 53 HG SER 53 -5.548 -3.566 -10.844 403 H PHE 54 H PHE 54 -1.505 -3.021 -7.709 404 HA PHE 54 HA PHE 54 -3.256 -1.719 -5.695 405 1HB PHE 54 HB2 PHE 54 -0.218 -1.831 -6.079 406 2HB PHE 54 HB3 PHE 54 -1.006 -0.761 -4.959 407 HD1 PHE 54 HD2 PHE 54 -2.683 -1.764 -3.249 408 HD2 PHE 54 HD1 PHE 54 0.649 -3.834 -5.079 409 HE1 PHE 54 HE2 PHE 54 -2.390 -3.125 -1.197 410 HE2 PHE 54 HE1 PHE 54 0.992 -5.092 -2.979 411 HZ PHE 54 HZ PHE 54 -0.511 -4.740 -1.054 412 H GLU 55 H GLU 55 -3.891 0.423 -6.042 413 HA GLU 55 HA GLU 55 -2.510 1.955 -8.241 414 1HB GLU 55 HB2 GLU 55 -5.163 2.527 -6.886 415 2HB GLU 55 HB3 GLU 55 -4.247 3.503 -8.066 416 1HG GLU 55 HG2 GLU 55 -6.119 2.357 -9.144 417 2HG GLU 55 HG3 GLU 55 -4.551 1.948 -9.830 418 HE2 GLU 55 HE GLU 55 -4.940 -1.386 -9.395 419 H VAL 56 H VAL 56 -1.130 3.704 -7.433 420 HA VAL 56 HA VAL 56 -1.330 4.220 -4.509 421 HB VAL 56 HB VAL 56 1.278 3.468 -5.801 422 1HG1 VAL 56 HG11 VAL 56 1.439 4.968 -3.826 423 2HG1 VAL 56 HG12 VAL 56 0.512 3.803 -2.875 424 3HG1 VAL 56 HG13 VAL 56 2.115 3.369 -3.495 425 1HG2 VAL 56 HG21 VAL 56 -0.535 1.743 -4.061 426 2HG2 VAL 56 HG22 VAL 56 -0.012 1.403 -5.728 427 3HG2 VAL 56 HG23 VAL 56 1.160 1.366 -4.409 428 H HIS 57 H HIS 57 -1.510 6.271 -4.244 429 HA HIS 57 HA HIS 57 -1.724 8.429 -4.895 430 1HB HIS 57 HB2 HIS 57 0.473 9.591 -4.592 431 2HB HIS 57 HB3 HIS 57 -0.115 8.557 -3.298 432 HD1 HIS 57 HD1 HIS 57 1.918 6.916 -6.133 433 HD2 HIS 57 HD2 HIS 57 2.220 8.223 -2.142 434 HE1 HIS 57 HE1 HIS 57 4.217 6.156 -5.263 435 HE2 HIS 57 HE2 HIS 57 4.387 7.024 -2.841 436 H ASP 58 H ASP 58 1.224 9.001 -6.512 437 HA ASP 58 HA ASP 58 -0.304 9.902 -8.814 438 1HB ASP 58 HB2 ASP 58 1.598 11.124 -7.675 439 2HB ASP 58 HB3 ASP 58 2.715 9.971 -8.417 440 HD1 ASP 58 HD ASP 58 2.270 9.981 -11.026 441 H LYS 59 H LYS 59 0.465 6.778 -8.220 442 HA LYS 59 HA LYS 59 1.103 6.092 -11.022 443 1HB LYS 59 HB2 LYS 59 2.685 5.207 -8.581 444 2HB LYS 59 HB3 LYS 59 2.995 4.654 -10.235 445 1HG LYS 59 HG2 LYS 59 3.438 7.490 -9.245 446 2HG LYS 59 HG3 LYS 59 4.665 6.240 -9.422 447 1HD LYS 59 HD2 LYS 59 4.352 6.082 -11.808 448 2HD LYS 59 HD3 LYS 59 2.980 7.205 -11.764 449 1HE LYS 59 HE2 LYS 59 4.494 8.972 -10.833 450 2HE LYS 59 HE3 LYS 59 5.856 7.844 -10.987 451 1HZ LYS 59 HZ3 LYS 59 4.148 8.676 -13.240 452 2HZ LYS 59 HZ1 LYS 59 5.573 9.406 -12.845 453 3HZ LYS 59 HZ2 LYS 59 5.573 7.828 -13.293 454 H LYS 60 H LYS 60 1.533 3.461 -10.758 455 HA LYS 60 HA LYS 60 -0.478 2.252 -8.980 456 1HB LYS 60 HB2 LYS 60 -0.154 1.635 -11.937 457 2HB LYS 60 HB3 LYS 60 -1.250 0.806 -10.803 458 1HG LYS 60 HG2 LYS 60 -2.351 3.092 -10.436 459 2HG LYS 60 HG3 LYS 60 -1.426 3.675 -11.819 460 1HD LYS 60 HD2 LYS 60 -3.473 1.399 -11.850 461 2HD LYS 60 HD3 LYS 60 -3.696 3.055 -12.425 462 1HE LYS 60 HE2 LYS 60 -3.298 1.909 -14.403 463 2HE LYS 60 HE3 LYS 60 -1.699 2.573 -14.038 464 1HZ LYS 60 HZ2 LYS 60 -2.645 -0.161 -13.472 465 2HZ LYS 60 HZ3 LYS 60 -1.622 0.277 -14.686 466 3HZ LYS 60 HZ1 LYS 60 -1.140 0.404 -13.120 467 H ASN 61 H ASN 61 0.411 0.536 -8.007 468 HA ASN 61 HA ASN 61 2.158 -0.650 -7.118 469 1HB ASN 61 HB2 ASN 61 2.421 -1.678 -9.961 470 2HB ASN 61 HB3 ASN 61 2.702 -2.542 -8.465 471 1HD2 ASN 61 HD21 ASN 61 -1.101 -1.273 -9.286 472 2HD2 ASN 61 HD22 ASN 61 0.177 -0.994 -10.423 473 HA PRO 62 HA PRO 62 5.589 1.911 -9.120 474 1HB PRO 62 HB2 PRO 62 5.887 4.054 -7.478 475 2HB PRO 62 HB3 PRO 62 4.557 3.949 -8.654 476 1HG PRO 62 HG2 PRO 62 4.483 3.146 -5.703 477 2HG PRO 62 HG3 PRO 62 3.402 4.313 -6.520 478 1HD PRO 62 HD2 PRO 62 2.671 1.706 -6.250 479 2HD PRO 62 HD3 PRO 62 2.346 2.639 -7.741 480 H THR 63 H THR 63 7.655 2.631 -8.196 481 HA THR 63 HA THR 63 8.598 0.922 -5.963 482 HB THR 63 HB THR 63 10.053 2.566 -8.083 483 HG1 THR 63 HG1 THR 63 9.049 0.879 -9.035 484 1HG2 THR 63 HG23 THR 63 11.025 0.588 -6.017 485 2HG2 THR 63 HG21 THR 63 12.002 1.145 -7.404 486 3HG2 THR 63 HG22 THR 63 11.500 2.303 -6.160 487 H LEU 64 H LEU 64 9.502 1.975 -4.063 488 HA LEU 64 HA LEU 64 9.046 4.948 -3.912 489 1HB LEU 64 HB2 LEU 64 8.803 2.827 -1.761 490 2HB LEU 64 HB3 LEU 64 8.985 4.555 -1.458 491 HG LEU 64 HG LEU 64 6.926 4.921 -2.966 492 1HD1 LEU 64 HD13 LEU 64 6.582 1.964 -2.296 493 2HD1 LEU 64 HD11 LEU 64 5.299 3.021 -2.920 494 3HD1 LEU 64 HD12 LEU 64 6.693 2.648 -3.933 495 1HD2 LEU 64 HD21 LEU 64 6.954 5.247 -0.521 496 2HD2 LEU 64 HD22 LEU 64 5.423 4.535 -1.053 497 3HD2 LEU 64 HD23 LEU 64 6.653 3.514 -0.277 498 H GLU 65 H GLU 65 10.692 6.231 -3.341 499 HA GLU 65 HA GLU 65 13.284 5.029 -2.432 500 1HB GLU 65 HB2 GLU 65 12.629 7.248 -4.354 501 2HB GLU 65 HB3 GLU 65 14.080 7.400 -3.362 502 1HG GLU 65 HG2 GLU 65 13.499 4.879 -4.963 503 2HG GLU 65 HG3 GLU 65 14.306 6.290 -5.681 504 HE1 GLU 65 HE GLU 65 16.658 5.259 -2.742 505 H ILE 66 H ILE 66 13.081 5.095 -0.321 506 HA ILE 66 HA ILE 66 11.873 7.396 1.066 507 HB ILE 66 HB ILE 66 12.468 4.504 1.734 508 1HG1 ILE 66 HG12 ILE 66 9.935 6.170 1.451 509 2HG1 ILE 66 HG13 ILE 66 10.473 4.795 0.475 510 1HG2 ILE 66 HG23 ILE 66 11.478 6.628 3.681 511 2HG2 ILE 66 HG21 ILE 66 11.559 4.885 4.018 512 3HG2 ILE 66 HG22 ILE 66 13.039 5.780 3.777 513 1HD1 ILE 66 HD11 ILE 66 10.239 3.376 2.633 514 2HD1 ILE 66 HD12 ILE 66 9.384 4.775 3.304 515 3HD1 ILE 66 HD13 ILE 66 8.742 3.963 1.880 516 HA PRO 67 HA PRO 67 16.036 8.317 2.650 517 1HB PRO 67 HB2 PRO 67 15.448 10.309 4.404 518 2HB PRO 67 HB3 PRO 67 15.422 10.544 2.631 519 1HG PRO 67 HG2 PRO 67 13.084 10.026 4.463 520 2HG PRO 67 HG3 PRO 67 13.203 11.229 3.160 521 1HD PRO 67 HD2 PRO 67 11.977 8.817 2.801 522 2HD PRO 67 HD3 PRO 67 12.895 9.623 1.487 523 H ALA 68 H ALA 68 16.941 6.948 4.112 524 HA ALA 68 HA ALA 68 15.571 5.265 5.831 525 1HB ALA 68 HB2 ALA 68 17.901 4.906 5.089 526 2HB ALA 68 HB3 ALA 68 18.440 6.261 6.107 527 3HB ALA 68 HB1 ALA 68 17.772 4.794 6.857 528 H GLY 69 H GLY 69 14.939 5.224 7.939 529 1HA GLY 69 HA2 GLY 69 14.592 5.980 10.097 530 2HA GLY 69 HA3 GLY 69 15.508 7.455 9.777 531 H ALA 70 H ALA 70 13.381 7.231 7.170 532 HA ALA 70 HA ALA 70 11.627 9.244 8.020 533 1HB ALA 70 HB3 ALA 70 11.272 7.015 5.980 534 2HB ALA 70 HB2 ALA 70 10.157 8.380 6.161 535 3HB ALA 70 HB1 ALA 70 11.832 8.676 5.671 536 H THR 71 H THR 71 9.464 9.241 8.592 537 HA THR 71 HA THR 71 8.455 6.892 10.134 538 HB THR 71 HB THR 71 7.564 9.813 10.095 539 HG1 THR 71 HG1 THR 71 9.622 9.288 11.088 540 1HG2 THR 71 HG22 THR 71 6.697 7.406 11.762 541 2HG2 THR 71 HG23 THR 71 6.296 9.092 12.154 542 3HG2 THR 71 HG21 THR 71 5.688 8.362 10.662 543 H VAL 72 H VAL 72 7.860 5.601 8.466 544 HA VAL 72 HA VAL 72 6.655 6.667 6.042 545 HB VAL 72 HB VAL 72 7.148 3.777 6.829 546 1HG1 VAL 72 HG13 VAL 72 6.862 5.208 4.145 547 2HG1 VAL 72 HG11 VAL 72 7.263 3.496 4.382 548 3HG1 VAL 72 HG12 VAL 72 5.671 4.110 4.874 549 1HG2 VAL 72 HG23 VAL 72 8.989 5.793 5.463 550 2HG2 VAL 72 HG21 VAL 72 9.284 4.977 7.011 551 3HG2 VAL 72 HG22 VAL 72 9.264 4.037 5.522 552 H ASP 73 H ASP 73 4.702 7.415 6.313 553 HA ASP 73 HA ASP 73 2.642 6.001 7.929 554 1HB ASP 73 HB2 ASP 73 2.764 8.821 6.782 555 2HB ASP 73 HB3 ASP 73 1.410 8.127 7.679 556 HD2 ASP 73 HD ASP 73 4.883 9.047 8.213 557 H VAL 74 H VAL 74 1.578 4.527 6.678 558 HA VAL 74 HA VAL 74 1.101 5.173 3.785 559 HB VAL 74 HB VAL 74 1.251 2.565 5.268 560 1HG1 VAL 74 HG13 VAL 74 0.232 3.105 2.434 561 2HG1 VAL 74 HG11 VAL 74 0.702 1.503 3.035 562 3HG1 VAL 74 HG12 VAL 74 -0.676 2.337 3.755 563 1HG2 VAL 74 HG22 VAL 74 3.384 3.560 4.443 564 2HG2 VAL 74 HG23 VAL 74 2.942 2.051 3.606 565 3HG2 VAL 74 HG21 VAL 74 2.709 3.608 2.801 566 H THR 75 H THR 75 -0.771 6.016 3.380 567 HA THR 75 HA THR 75 -3.092 5.475 5.082 568 HB THR 75 HB THR 75 -2.979 7.182 2.579 569 HG1 THR 75 HG1 THR 75 -1.473 7.911 3.998 570 1HG2 THR 75 HG22 THR 75 -4.907 7.069 4.917 571 2HG2 THR 75 HG23 THR 75 -4.873 8.344 3.683 572 3HG2 THR 75 HG21 THR 75 -5.240 6.670 3.227 573 H PHE 76 H PHE 76 -4.737 4.098 4.313 574 HA PHE 76 HA PHE 76 -4.341 2.756 1.648 575 1HB PHE 76 HB2 PHE 76 -5.407 1.818 4.303 576 2HB PHE 76 HB3 PHE 76 -6.049 1.120 2.847 577 HD1 PHE 76 HD2 PHE 76 -2.634 1.459 2.002 578 HD2 PHE 76 HD1 PHE 76 -5.343 -0.862 4.407 579 HE1 PHE 76 HE2 PHE 76 -2.032 -0.574 0.729 580 HE2 PHE 76 HE1 PHE 76 -4.635 -2.919 3.226 581 HZ PHE 76 HZ PHE 76 -3.182 -2.741 1.235 582 H ILE 77 H ILE 77 -5.943 2.718 0.281 583 HA ILE 77 HA ILE 77 -8.750 2.995 1.206 584 HB ILE 77 HB ILE 77 -7.655 4.312 -1.336 585 1HG1 ILE 77 HG12 ILE 77 -9.241 6.152 -0.080 586 2HG1 ILE 77 HG13 ILE 77 -8.761 5.264 1.333 587 1HG2 ILE 77 HG21 ILE 77 -10.458 3.890 -0.280 588 2HG2 ILE 77 HG22 ILE 77 -10.055 4.879 -1.716 589 3HG2 ILE 77 HG23 ILE 77 -9.843 3.144 -1.764 590 1HD1 ILE 77 HD13 ILE 77 -6.306 5.644 0.590 591 2HD1 ILE 77 HD11 ILE 77 -6.948 6.604 -0.756 592 3HD1 ILE 77 HD12 ILE 77 -7.184 7.142 0.912 593 H ASN 78 H ASN 78 -7.942 0.828 1.552 594 HA ASN 78 HA ASN 78 -7.455 -0.829 -0.879 595 1HB ASN 78 HB2 ASN 78 -5.758 -0.915 0.811 596 2HB ASN 78 HB3 ASN 78 -6.901 -1.353 2.073 597 1HD2 ASN 78 HD22 ASN 78 -7.208 -4.746 1.095 598 2HD2 ASN 78 HD21 ASN 78 -8.295 -3.435 1.458 599 H THR 79 H THR 79 -9.695 -0.264 -1.379 600 HA THR 79 HA THR 79 -11.771 -1.316 0.378 601 HB THR 79 HB THR 79 -13.198 -0.014 -1.301 602 HG1 THR 79 HG1 THR 79 -11.909 1.345 -2.677 603 1HG2 THR 79 HG23 THR 79 -12.284 0.924 0.810 604 2HG2 THR 79 HG21 THR 79 -10.880 1.526 -0.076 605 3HG2 THR 79 HG22 THR 79 -12.506 2.117 -0.478 606 H ASN 80 H ASN 80 -11.596 -1.311 -3.149 607 HA ASN 80 HA ASN 80 -12.435 -2.767 -4.692 608 1HB ASN 80 HB2 ASN 80 -10.302 -3.933 -4.087 609 2HB ASN 80 HB3 ASN 80 -11.202 -4.925 -2.930 610 1HD2 ASN 80 HD21 ASN 80 -11.730 -5.527 -6.998 611 2HD2 ASN 80 HD22 ASN 80 -11.166 -3.961 -6.433 612 H LYS 81 H LYS 81 -13.466 -5.682 -3.736 613 HA LYS 81 HA LYS 81 -15.693 -4.946 -1.997 614 1HB LYS 81 HB2 LYS 81 -16.145 -6.080 -4.805 615 2HB LYS 81 HB3 LYS 81 -17.343 -5.921 -3.506 616 1HG LYS 81 HG2 LYS 81 -17.126 -3.456 -3.589 617 2HG LYS 81 HG3 LYS 81 -15.906 -3.604 -4.857 618 1HD LYS 81 HD2 LYS 81 -17.992 -2.987 -5.833 619 2HD LYS 81 HD3 LYS 81 -17.510 -4.577 -6.420 620 1HE LYS 81 HE2 LYS 81 -19.439 -4.307 -4.072 621 2HE LYS 81 HE3 LYS 81 -20.005 -4.087 -5.733 622 1HZ LYS 81 HZ3 LYS 81 -19.233 -6.245 -6.285 623 2HZ LYS 81 HZ1 LYS 81 -18.685 -6.511 -4.757 624 3HZ LYS 81 HZ2 LYS 81 -20.295 -6.317 -5.029 625 H GLY 82 H GLY 82 -15.734 -6.671 -0.566 626 1HA GLY 82 HA2 GLY 82 -15.717 -8.859 0.175 627 2HA GLY 82 HA3 GLY 82 -15.536 -9.417 -1.489 628 H PHE 83 H PHE 83 -13.204 -8.480 -2.378 629 HA PHE 83 HA PHE 83 -11.301 -10.134 -0.958 630 1HB PHE 83 HB2 PHE 83 -11.055 -8.332 -3.389 631 2HB PHE 83 HB3 PHE 83 -9.747 -9.311 -2.758 632 HD1 PHE 83 HD1 PHE 83 -13.100 -9.473 -4.383 633 HD2 PHE 83 HD2 PHE 83 -9.665 -11.719 -3.045 634 HE1 PHE 83 HE1 PHE 83 -13.849 -11.418 -5.714 635 HE2 PHE 83 HE2 PHE 83 -10.418 -13.659 -4.393 636 HZ PHE 83 HZ PHE 83 -12.505 -13.510 -5.734 637 H GLY 84 H GLY 84 -11.339 -8.961 1.077 638 1HA GLY 84 HA2 GLY 84 -10.133 -6.455 1.637 639 2HA GLY 84 HA3 GLY 84 -10.071 -7.887 2.647 640 H HIS 85 H HIS 85 -8.538 -6.537 -0.321 641 HA HIS 85 HA HIS 85 -6.148 -8.031 -0.259 642 1HB HIS 85 HB2 HIS 85 -6.522 -5.138 -1.076 643 2HB HIS 85 HB3 HIS 85 -5.111 -6.111 -1.462 644 HD2 HIS 85 HD2 HIS 85 -8.672 -5.353 -2.482 645 HE1 HIS 85 HE1 HIS 85 -7.141 -7.968 -5.447 646 HE2 HIS 85 HE2 HIS 85 -9.085 -6.455 -4.815 647 H SER 86 H SER 86 -3.908 -7.225 0.322 648 HA SER 86 HA SER 86 -3.886 -5.680 2.851 649 1HB SER 86 HB2 SER 86 -2.401 -7.369 3.807 650 2HB SER 86 HB3 SER 86 -3.930 -8.124 3.380 651 HG SER 86 HG SER 86 -1.564 -8.890 2.677 652 H PHE 87 H PHE 87 -1.679 -4.923 3.332 653 HA PHE 87 HA PHE 87 0.234 -4.885 1.055 654 1HB PHE 87 HB2 PHE 87 -0.963 -2.801 1.065 655 2HB PHE 87 HB3 PHE 87 -0.661 -2.554 2.781 656 HD1 PHE 87 HD2 PHE 87 1.785 -2.129 3.514 657 HD2 PHE 87 HD1 PHE 87 0.443 -1.916 -0.587 658 HE1 PHE 87 HE2 PHE 87 3.613 -0.556 2.988 659 HE2 PHE 87 HE1 PHE 87 2.199 -0.252 -1.065 660 HZ PHE 87 HZ PHE 87 3.798 0.429 0.712 661 H ASP 88 H ASP 88 1.446 -6.490 2.004 662 HA ASP 88 HA ASP 88 2.195 -6.296 4.878 663 1HB ASP 88 HB2 ASP 88 2.354 -8.562 2.874 664 2HB ASP 88 HB3 ASP 88 3.006 -8.618 4.518 665 HD1 ASP 88 HD ASP 88 -0.035 -9.003 6.084 666 H ILE 89 H ILE 89 4.272 -5.821 5.437 667 HA ILE 89 HA ILE 89 6.064 -4.966 3.231 668 HB ILE 89 HB ILE 89 5.892 -4.084 6.135 669 1HG1 ILE 89 HG12 ILE 89 5.498 -2.275 3.756 670 2HG1 ILE 89 HG13 ILE 89 4.138 -3.300 4.230 671 1HG2 ILE 89 HG22 ILE 89 7.779 -3.254 3.910 672 2HG2 ILE 89 HG23 ILE 89 7.563 -2.360 5.430 673 3HG2 ILE 89 HG21 ILE 89 8.176 -4.011 5.474 674 1HD1 ILE 89 HD13 ILE 89 5.598 -1.515 6.197 675 2HD1 ILE 89 HD11 ILE 89 4.102 -1.085 5.341 676 3HD1 ILE 89 HD12 ILE 89 4.127 -2.454 6.477 677 H THR 90 H THR 90 8.023 -5.882 3.003 678 HA THR 90 HA THR 90 9.351 -7.328 5.146 679 HB THR 90 HB THR 90 7.779 -8.942 4.606 680 HG1 THR 90 HG1 THR 90 9.169 -10.526 4.423 681 1HG2 THR 90 HG23 THR 90 6.918 -8.237 2.425 682 2HG2 THR 90 HG21 THR 90 8.451 -8.682 1.641 683 3HG2 THR 90 HG22 THR 90 7.383 -9.918 2.333 684 H LYS 91 H LYS 91 11.031 -8.772 3.409 685 HA LYS 91 HA LYS 91 12.307 -6.633 1.733 686 1HB LYS 91 HB2 LYS 91 13.741 -8.505 3.663 687 2HB LYS 91 HB3 LYS 91 14.510 -7.317 2.594 688 1HG LYS 91 HG2 LYS 91 13.277 -5.492 3.768 689 2HG LYS 91 HG3 LYS 91 12.641 -6.659 4.926 690 1HD LYS 91 HD2 LYS 91 15.580 -5.987 4.413 691 2HD LYS 91 HD3 LYS 91 14.618 -5.437 5.786 692 1HE LYS 91 HE2 LYS 91 15.430 -8.322 5.196 693 2HE LYS 91 HE3 LYS 91 16.057 -7.277 6.472 694 1HZ LYS 91 HZ3 LYS 91 13.856 -7.215 7.420 695 2HZ LYS 91 HZ1 LYS 91 13.291 -8.228 6.249 696 3HZ LYS 91 HZ2 LYS 91 14.423 -8.759 7.319 697 H LYS 92 H LYS 92 10.884 -9.619 1.654 698 HA LYS 92 HA LYS 92 12.762 -11.056 -0.003 699 1HB LYS 92 HB2 LYS 92 9.741 -11.278 0.288 700 2HB LYS 92 HB3 LYS 92 10.781 -12.429 -0.575 701 1HG LYS 92 HG2 LYS 92 12.088 -12.746 1.571 702 2HG LYS 92 HG3 LYS 92 10.877 -11.781 2.416 703 1HD LYS 92 HD2 LYS 92 10.443 -14.421 0.938 704 2HD LYS 92 HD3 LYS 92 10.443 -14.171 2.685 705 1HE LYS 92 HE2 LYS 92 8.380 -13.145 0.676 706 2HE LYS 92 HE3 LYS 92 8.155 -14.374 1.920 707 1HZ LYS 92 HZ3 LYS 92 8.525 -12.667 3.585 708 2HZ LYS 92 HZ1 LYS 92 8.689 -11.537 2.404 709 3HZ LYS 92 HZ2 LYS 92 7.250 -12.319 2.607 710 H GLY 93 H GLY 93 13.173 -10.780 -2.146 711 1HA GLY 93 HA2 GLY 93 11.779 -8.666 -3.647 712 2HA GLY 93 HA3 GLY 93 13.214 -9.580 -4.148 713 HA PRO 94 HA PRO 94 9.321 -11.435 -6.106 714 1HB PRO 94 HB2 PRO 94 9.576 -10.500 -8.688 715 2HB PRO 94 HB3 PRO 94 8.735 -9.580 -7.411 716 1HG PRO 94 HG2 PRO 94 11.618 -9.286 -8.301 717 2HG PRO 94 HG3 PRO 94 10.393 -7.994 -8.124 718 1HD PRO 94 HD2 PRO 94 12.187 -8.519 -6.154 719 2HD PRO 94 HD3 PRO 94 10.487 -8.134 -5.745 720 HA PRO 95 HA PRO 95 8.503 -12.616 -8.104 721 1HB PRO 95 HB2 PRO 95 8.108 -15.227 -8.707 722 2HB PRO 95 HB3 PRO 95 8.907 -14.115 -9.856 723 1HG PRO 95 HG2 PRO 95 10.247 -16.008 -7.896 724 2HG PRO 95 HG3 PRO 95 10.556 -15.866 -9.653 725 1HD PRO 95 HD2 PRO 95 12.093 -14.568 -7.790 726 2HD PRO 95 HD3 PRO 95 11.710 -13.804 -9.356 727 H TYR 96 H TYR 96 6.691 -13.750 -6.987 728 HA TYR 96 HA TYR 96 7.436 -14.744 -4.260 729 1HB TYR 96 HB2 TYR 96 4.947 -13.285 -5.106 730 2HB TYR 96 HB3 TYR 96 5.349 -13.840 -3.485 731 HD1 TYR 96 HD1 TYR 96 7.380 -12.861 -2.293 732 HD2 TYR 96 HD2 TYR 96 5.874 -11.202 -5.975 733 HE1 TYR 96 HE1 TYR 96 8.717 -10.827 -1.925 734 HE2 TYR 96 HE2 TYR 96 7.226 -9.178 -5.613 735 HH TYR 96 HH TYR 96 9.345 -8.763 -2.755 736 H ALA 97 H ALA 97 6.095 -16.453 -3.471 737 HA ALA 97 HA ALA 97 5.308 -18.326 -5.584 738 1HB ALA 97 HB2 ALA 97 6.511 -19.124 -3.574 739 2HB ALA 97 HB3 ALA 97 5.160 -18.584 -2.553 740 3HB ALA 97 HB1 ALA 97 4.917 -19.889 -3.728 741 H VAL 98 H VAL 98 3.209 -19.225 -5.792 742 HA VAL 98 HA VAL 98 1.043 -17.402 -5.647 743 HB VAL 98 HB VAL 98 1.108 -20.427 -5.943 744 1HG1 VAL 98 HG13 VAL 98 -1.204 -18.495 -6.436 745 2HG1 VAL 98 HG11 VAL 98 -1.170 -20.200 -6.925 746 3HG1 VAL 98 HG12 VAL 98 -1.153 -19.780 -5.211 747 1HG2 VAL 98 HG22 VAL 98 0.833 -18.187 -7.995 748 2HG2 VAL 98 HG23 VAL 98 2.268 -19.207 -7.761 749 3HG2 VAL 98 HG21 VAL 98 0.763 -19.925 -8.344 750 H MET 99 H MET 99 2.176 -19.926 -3.432 751 HA MET 99 HA MET 99 0.007 -19.605 -1.505 752 1HB MET 99 HB2 MET 99 2.672 -21.045 -1.431 753 2HB MET 99 HB3 MET 99 1.508 -21.004 -0.095 754 1HG MET 99 HG2 MET 99 -0.236 -21.946 -1.569 755 2HG MET 99 HG3 MET 99 0.933 -22.051 -2.894 756 1HE MET 99 HE2 MET 99 -0.957 -24.335 -1.810 757 2HE MET 99 HE3 MET 99 0.135 -24.516 -3.204 758 3HE MET 99 HE1 MET 99 0.142 -25.737 -1.904 759 HA PRO 100 HA PRO 100 2.099 -15.757 -0.334 760 1HB PRO 100 HB2 PRO 100 0.311 -15.932 2.095 761 2HB PRO 100 HB3 PRO 100 0.649 -14.536 1.031 762 1HG PRO 100 HG2 PRO 100 -1.664 -15.922 0.760 763 2HG PRO 100 HG3 PRO 100 -0.735 -15.438 -0.694 764 1HD PRO 100 HD2 PRO 100 -0.716 -18.130 0.715 765 2HD PRO 100 HD3 PRO 100 -0.918 -17.761 -1.018 766 H VAL 101 H VAL 101 4.181 -15.982 0.374 767 HA VAL 101 HA VAL 101 4.895 -17.738 2.597 768 HB VAL 101 HB VAL 101 6.631 -15.822 0.992 769 1HG1 VAL 101 HG12 VAL 101 7.300 -18.351 2.581 770 2HG1 VAL 101 HG13 VAL 101 8.450 -17.377 1.641 771 3HG1 VAL 101 HG11 VAL 101 7.695 -16.695 3.079 772 1HG2 VAL 101 HG21 VAL 101 5.899 -18.724 0.445 773 2HG2 VAL 101 HG22 VAL 101 5.564 -17.318 -0.592 774 3HG2 VAL 101 HG23 VAL 101 7.227 -17.852 -0.348 775 H ILE 102 H ILE 102 3.264 -16.411 3.879 776 HA ILE 102 HA ILE 102 4.016 -13.752 4.635 777 HB ILE 102 HB ILE 102 2.166 -14.072 6.381 778 1HG1 ILE 102 HG12 ILE 102 1.378 -16.446 4.661 779 2HG1 ILE 102 HG13 ILE 102 2.213 -16.615 6.217 780 1HG2 ILE 102 HG22 ILE 102 2.057 -12.780 4.310 781 2HG2 ILE 102 HG23 ILE 102 1.626 -14.238 3.395 782 3HG2 ILE 102 HG21 ILE 102 0.504 -13.576 4.612 783 1HD1 ILE 102 HD11 ILE 102 0.370 -15.374 7.328 784 2HD1 ILE 102 HD12 ILE 102 -0.489 -15.279 5.772 785 3HD1 ILE 102 HD13 ILE 102 -0.185 -16.854 6.522 786 H ASP 103 H ASP 103 4.801 -16.807 6.154 787 HA ASP 103 HA ASP 103 5.273 -15.982 8.738 788 1HB ASP 103 HB2 ASP 103 6.972 -17.924 7.125 789 2HB ASP 103 HB3 ASP 103 7.089 -17.669 8.874 790 HD1 ASP 103 HD ASP 103 3.763 -19.365 7.352 791 HA PRO 104 HA PRO 104 9.366 -13.740 7.882 792 1HB PRO 104 HB2 PRO 104 10.540 -13.591 5.437 793 2HB PRO 104 HB3 PRO 104 10.683 -15.025 6.481 794 1HG PRO 104 HG2 PRO 104 8.642 -14.609 4.269 795 2HG PRO 104 HG3 PRO 104 9.801 -15.967 4.429 796 1HD PRO 104 HD2 PRO 104 7.271 -16.185 5.336 797 2HD PRO 104 HD3 PRO 104 8.646 -16.803 6.306 798 H ILE 105 H ILE 105 7.097 -12.513 8.097 799 HA ILE 105 HA ILE 105 7.224 -10.189 6.216 800 HB ILE 105 HB ILE 105 4.867 -11.381 7.685 801 1HG1 ILE 105 HG12 ILE 105 5.337 -12.223 5.413 802 2HG1 ILE 105 HG13 ILE 105 3.785 -11.367 5.509 803 1HG2 ILE 105 HG22 ILE 105 5.031 -8.572 6.559 804 2HG2 ILE 105 HG23 ILE 105 3.520 -9.425 6.919 805 3HG2 ILE 105 HG21 ILE 105 4.657 -9.070 8.217 806 1HD1 ILE 105 HD12 ILE 105 5.183 -9.354 4.493 807 2HD1 ILE 105 HD13 ILE 105 6.373 -10.638 4.168 808 3HD1 ILE 105 HD11 ILE 105 4.763 -10.736 3.458 809 H VAL 106 H VAL 106 7.274 -8.124 7.166 810 HA VAL 106 HA VAL 106 8.204 -8.184 10.010 811 HB VAL 106 HB VAL 106 8.665 -6.093 7.838 812 1HG1 VAL 106 HG13 VAL 106 9.771 -6.356 10.678 813 2HG1 VAL 106 HG11 VAL 106 10.255 -5.138 9.478 814 3HG1 VAL 106 HG12 VAL 106 8.620 -5.118 10.147 815 1HG2 VAL 106 HG21 VAL 106 10.539 -8.158 9.058 816 2HG2 VAL 106 HG22 VAL 106 9.943 -8.149 7.386 817 3HG2 VAL 106 HG23 VAL 106 11.006 -6.853 7.948 818 H ALA 107 H ALA 107 6.822 -5.511 8.202 819 HA ALA 107 HA ALA 107 4.573 -5.306 10.188 820 1HB ALA 107 HB3 ALA 107 6.106 -3.326 10.161 821 2HB ALA 107 HB1 ALA 107 5.823 -3.139 8.419 822 3HB ALA 107 HB2 ALA 107 4.489 -2.915 9.573 823 H GLY 108 H GLY 108 2.662 -4.046 8.966 824 1HA GLY 108 HA2 GLY 108 2.291 -4.253 6.240 825 2HA GLY 108 HA3 GLY 108 1.748 -5.814 6.939 826 H THR 109 H THR 109 -0.157 -4.334 5.742 827 HA THR 109 HA THR 109 -1.632 -2.863 7.786 828 HB THR 109 HB THR 109 -3.384 -2.767 6.038 829 HG1 THR 109 HG1 THR 109 -3.260 -4.569 4.886 830 1HG2 THR 109 HG22 THR 109 -0.561 -2.101 5.101 831 2HG2 THR 109 HG23 THR 109 -2.040 -1.452 4.395 832 3HG2 THR 109 HG21 THR 109 -1.659 -1.094 6.076 833 H GLY 110 H GLY 110 -1.989 -5.841 5.959 834 1HA GLY 110 HA2 GLY 110 -2.821 -7.970 6.791 835 2HA GLY 110 HA3 GLY 110 -3.683 -7.092 8.081 836 H PHE 111 H PHE 111 -5.504 -8.479 6.769 837 HA PHE 111 HA PHE 111 -6.334 -7.400 4.205 838 1HB PHE 111 HB2 PHE 111 -7.934 -9.193 6.027 839 2HB PHE 111 HB3 PHE 111 -8.055 -9.062 4.307 840 HD1 PHE 111 HD2 PHE 111 -5.867 -9.670 2.892 841 HD2 PHE 111 HD1 PHE 111 -6.529 -10.922 6.969 842 HE1 PHE 111 HE2 PHE 111 -4.053 -11.333 2.675 843 HE2 PHE 111 HE1 PHE 111 -4.707 -12.586 6.739 844 HZ PHE 111 HZ PHE 111 -3.463 -12.794 4.590 845 H SER 112 H SER 112 -8.036 -5.933 3.818 846 HA SER 112 HA SER 112 -8.651 -4.229 6.074 847 1HB SER 112 HB2 SER 112 -9.454 -2.692 4.300 848 2HB SER 112 HB3 SER 112 -7.862 -3.356 3.894 849 HG SER 112 HG SER 112 -9.887 -3.417 2.355 850 HA PRO 113 HA PRO 113 -13.048 -5.194 6.403 851 1HB PRO 113 HB2 PRO 113 -14.008 -2.925 7.540 852 2HB PRO 113 HB3 PRO 113 -12.921 -4.034 8.422 853 1HG PRO 113 HG2 PRO 113 -12.158 -1.476 6.980 854 2HG PRO 113 HG3 PRO 113 -11.704 -1.986 8.627 855 1HD PRO 113 HD2 PRO 113 -10.093 -2.352 6.450 856 2HD PRO 113 HD3 PRO 113 -10.124 -3.527 7.801 857 H VAL 114 H VAL 114 -13.230 -5.318 4.114 858 HA VAL 114 HA VAL 114 -13.221 -3.306 2.288 859 HB VAL 114 HB VAL 114 -14.543 -4.881 0.815 860 1HG1 VAL 114 HG11 VAL 114 -12.068 -5.039 1.189 861 2HG1 VAL 114 HG12 VAL 114 -12.391 -6.277 2.425 862 3HG1 VAL 114 HG13 VAL 114 -12.864 -6.553 0.736 863 1HG2 VAL 114 HG22 VAL 114 -14.720 -6.604 3.327 864 2HG2 VAL 114 HG23 VAL 114 -16.086 -5.846 2.474 865 3HG2 VAL 114 HG21 VAL 114 -15.111 -7.101 1.682 866 HA PRO 115 HA PRO 115 -16.711 -0.708 2.272 867 1HB PRO 115 HB2 PRO 115 -17.398 -1.800 -0.479 868 2HB PRO 115 HB3 PRO 115 -17.465 -0.104 0.068 869 1HG PRO 115 HG2 PRO 115 -15.328 -0.927 -1.302 870 2HG PRO 115 HG3 PRO 115 -15.043 -0.041 0.236 871 1HD PRO 115 HD2 PRO 115 -15.034 -3.035 -0.234 872 2HD PRO 115 HD3 PRO 115 -13.829 -2.046 0.635 873 H LYS 116 H LYS 116 -18.806 -0.672 2.902 874 HA LYS 116 HA LYS 116 -20.537 -3.108 2.634 875 1HB LYS 116 HB2 LYS 116 -20.707 -0.738 4.498 876 2HB LYS 116 HB3 LYS 116 -21.680 -2.207 4.613 877 1HG LYS 116 HG2 LYS 116 -18.691 -1.892 5.178 878 2HG LYS 116 HG3 LYS 116 -19.963 -2.251 6.339 879 1HD LYS 116 HD2 LYS 116 -18.989 -4.095 4.102 880 2HD LYS 116 HD3 LYS 116 -18.609 -4.225 5.816 881 1HE LYS 116 HE2 LYS 116 -21.018 -4.586 6.342 882 2HE LYS 116 HE3 LYS 116 -21.409 -4.493 4.613 883 1HZ LYS 116 HZ3 LYS 116 -19.641 -6.479 5.843 884 2HZ LYS 116 HZ1 LYS 116 -21.190 -6.733 5.342 885 3HZ LYS 116 HZ2 LYS 116 -20.017 -6.376 4.241 886 H ASP 117 H ASP 117 -19.869 -0.824 0.791 887 HA ASP 117 HA ASP 117 -20.827 0.314 -0.874 888 1HB ASP 117 HB2 ASP 117 -22.908 -1.113 -0.753 889 2HB ASP 117 HB3 ASP 117 -23.564 0.038 0.437 890 HD2 ASP 117 HD ASP 117 -25.192 0.070 -1.296 891 H GLY 118 H GLY 118 -21.101 2.569 -1.115 892 1HA GLY 118 HA2 GLY 118 -20.904 4.760 -0.451 893 2HA GLY 118 HA3 GLY 118 -21.675 4.357 1.087 894 H LYS 119 H LYS 119 -19.930 2.581 2.251 895 HA LYS 119 HA LYS 119 -17.894 4.379 3.122 896 1HB LYS 119 HB2 LYS 119 -18.399 1.491 3.938 897 2HB LYS 119 HB3 LYS 119 -17.368 2.666 4.775 898 1HG LYS 119 HG2 LYS 119 -19.484 4.157 4.921 899 2HG LYS 119 HG3 LYS 119 -20.397 2.689 4.534 900 1HD LYS 119 HD2 LYS 119 -18.467 3.094 6.877 901 2HD LYS 119 HD3 LYS 119 -20.232 3.102 6.979 902 1HE LYS 119 HE2 LYS 119 -20.328 0.741 6.284 903 2HE LYS 119 HE3 LYS 119 -18.563 0.692 6.101 904 1HZ LYS 119 HZ1 LYS 119 -18.365 1.165 8.425 905 2HZ LYS 119 HZ2 LYS 119 -20.004 1.170 8.604 906 3HZ LYS 119 HZ3 LYS 119 -19.225 -0.214 8.165 907 H PHE 120 H PHE 120 -15.673 3.922 3.345 908 HA PHE 120 HA PHE 120 -14.366 2.316 1.166 909 1HB PHE 120 HB2 PHE 120 -14.273 5.224 1.925 910 2HB PHE 120 HB3 PHE 120 -12.774 4.529 1.379 911 HD1 PHE 120 HD1 PHE 120 -16.434 4.730 0.365 912 HD2 PHE 120 HD2 PHE 120 -12.371 4.421 -0.974 913 HE1 PHE 120 HE1 PHE 120 -17.219 4.548 -1.960 914 HE2 PHE 120 HE2 PHE 120 -13.142 4.250 -3.308 915 HZ PHE 120 HZ PHE 120 -15.555 4.314 -3.816 916 H GLY 121 H GLY 121 -13.714 0.701 2.604 917 1HA GLY 121 HA2 GLY 121 -12.508 0.760 5.068 918 2HA GLY 121 HA3 GLY 121 -12.041 -0.327 3.760 919 H TYR 122 H TYR 122 -10.896 2.018 5.865 920 HA TYR 122 HA TYR 122 -8.549 2.555 4.171 921 1HB TYR 122 HB2 TYR 122 -8.584 4.851 4.400 922 2HB TYR 122 HB3 TYR 122 -10.275 4.516 4.218 923 HD1 TYR 122 HD2 TYR 122 -11.595 4.364 6.494 924 HD2 TYR 122 HD1 TYR 122 -7.688 6.099 6.156 925 HE1 TYR 122 HE2 TYR 122 -12.138 5.939 8.356 926 HE2 TYR 122 HE1 TYR 122 -8.135 7.516 8.120 927 HH TYR 122 HH TYR 122 -9.704 8.191 9.682 928 H THR 123 H THR 123 -6.884 3.761 5.559 929 HA THR 123 HA THR 123 -6.654 3.106 8.327 930 HB THR 123 HB THR 123 -5.732 1.128 6.267 931 HG1 THR 123 HG1 THR 123 -7.324 0.897 7.903 932 1HG2 THR 123 HG21 THR 123 -3.940 1.724 8.624 933 2HG2 THR 123 HG22 THR 123 -3.896 0.276 7.582 934 3HG2 THR 123 HG23 THR 123 -3.508 1.859 6.902 935 H ASP 124 H ASP 124 -4.669 3.852 9.129 936 HA ASP 124 HA ASP 124 -2.751 5.267 7.402 937 1HB ASP 124 HB2 ASP 124 -4.519 6.596 9.480 938 2HB ASP 124 HB3 ASP 124 -2.827 7.084 9.335 939 HD1 ASP 124 HD ASP 124 -3.019 8.128 6.012 940 H PHE 125 H PHE 125 -1.300 3.629 7.901 941 HA PHE 125 HA PHE 125 -0.815 3.183 10.823 942 1HB PHE 125 HB2 PHE 125 -0.353 1.034 10.603 943 2HB PHE 125 HB3 PHE 125 -1.636 1.211 9.434 944 HD1 PHE 125 HD1 PHE 125 -0.793 1.691 6.904 945 HD2 PHE 125 HD2 PHE 125 1.500 -0.252 10.008 946 HE1 PHE 125 HE1 PHE 125 0.352 0.298 5.208 947 HE2 PHE 125 HE2 PHE 125 2.615 -1.641 8.307 948 HZ PHE 125 HZ PHE 125 1.944 -1.456 5.912 949 H THR 126 H THR 126 1.429 2.994 11.399 950 HA THR 126 HA THR 126 3.251 4.574 9.645 951 HB THR 126 HB THR 126 3.083 4.500 12.676 952 HG1 THR 126 HG1 THR 126 2.235 6.599 10.974 953 1HG2 THR 126 HG21 THR 126 4.593 6.284 10.720 954 2HG2 THR 126 HG22 THR 126 4.418 6.614 12.461 955 3HG2 THR 126 HG23 THR 126 5.304 5.178 11.916 956 H TRP 127 H TRP 127 5.345 3.798 9.341 957 HA TRP 127 HA TRP 127 6.420 1.797 11.185 958 1HB TRP 127 HB2 TRP 127 7.168 0.392 9.158 959 2HB TRP 127 HB3 TRP 127 5.511 0.253 9.714 960 HD1 TRP 127 HD1 TRP 127 3.629 1.642 8.283 961 HE1 TRP 127 HE1 TRP 127 3.353 1.820 5.780 962 HE3 TRP 127 HE3 TRP 127 8.383 0.340 6.849 963 HZ2 TRP 127 HZ2 TRP 127 5.023 1.460 3.384 964 HZ3 TRP 127 HZ3 TRP 127 8.985 0.249 4.473 965 HH2 TRP 127 HH2 TRP 127 7.322 0.865 2.737 966 H HIS 128 H HIS 128 8.719 1.379 10.810 967 HA HIS 128 HA HIS 128 10.210 3.703 9.657 968 1HB HIS 128 HB2 HIS 128 10.523 2.489 12.427 969 2HB HIS 128 HB3 HIS 128 11.660 3.598 11.661 970 HD1 HIS 128 HD1 HIS 128 8.185 3.599 13.275 971 HD2 HIS 128 HD2 HIS 128 11.010 6.192 11.510 972 HE1 HIS 128 HE1 HIS 128 7.405 5.993 13.783 973 HE2 HIS 128 HE2 HIS 128 9.102 7.561 12.650 974 HA PRO 129 HA PRO 129 11.934 -0.413 8.446 975 1HB PRO 129 HB2 PRO 129 12.469 0.031 5.845 976 2HB PRO 129 HB3 PRO 129 10.793 -0.182 6.412 977 1HG PRO 129 HG2 PRO 129 12.231 2.439 5.895 978 2HG PRO 129 HG3 PRO 129 10.618 1.950 5.309 979 1HD PRO 129 HD2 PRO 129 11.039 3.469 7.568 980 2HD PRO 129 HD3 PRO 129 9.657 2.339 7.449 981 H THR 130 H THR 130 14.128 -1.067 8.152 982 HA THR 130 HA THR 130 16.154 0.964 8.763 983 HB THR 130 HB THR 130 17.679 -1.000 8.821 984 HG1 THR 130 HG1 THR 130 16.928 -2.998 8.423 985 1HG2 THR 130 HG22 THR 130 16.412 -0.316 10.855 986 2HG2 THR 130 HG23 THR 130 15.102 -1.431 10.408 987 3HG2 THR 130 HG21 THR 130 16.710 -2.064 10.809 988 H ALA 131 H ALA 131 18.245 0.966 7.443 989 HA ALA 131 HA ALA 131 17.480 1.721 4.832 990 1HB ALA 131 HB1 ALA 131 19.326 2.817 6.045 991 2HB ALA 131 HB2 ALA 131 20.309 1.346 5.859 992 3HB ALA 131 HB3 ALA 131 19.807 2.281 4.429 993 H GLY 132 H GLY 132 18.300 0.966 2.804 994 1HA GLY 132 HA2 GLY 132 19.493 -0.743 1.514 995 2HA GLY 132 HA3 GLY 132 18.819 -1.987 2.591 996 H THR 133 H THR 133 16.936 -2.932 1.788 997 HA THR 133 HA THR 133 15.062 -1.308 0.258 998 HB THR 133 HB THR 133 16.373 -3.743 -1.011 999 HG1 THR 133 HG1 THR 133 16.888 -1.022 -1.086 1000 1HG2 THR 133 HG23 THR 133 14.318 -1.752 -2.088 1001 2HG2 THR 133 HG21 THR 133 15.119 -3.027 -3.028 1002 3HG2 THR 133 HG22 THR 133 14.016 -3.462 -1.714 1003 H TYR 134 H TYR 134 13.106 -1.859 0.690 1004 HA TYR 134 HA TYR 134 12.391 -4.441 1.963 1005 1HB TYR 134 HB2 TYR 134 11.451 -1.581 2.390 1006 2HB TYR 134 HB3 TYR 134 10.394 -2.945 2.726 1007 HD1 TYR 134 HD2 TYR 134 14.046 -2.107 3.478 1008 HD2 TYR 134 HD1 TYR 134 10.173 -3.219 4.991 1009 HE1 TYR 134 HE2 TYR 134 15.005 -2.386 5.719 1010 HE2 TYR 134 HE1 TYR 134 11.113 -3.344 7.282 1011 HH TYR 134 HH TYR 134 14.585 -2.877 7.941 1012 H TYR 135 H TYR 135 9.965 -4.861 1.409 1013 HA TYR 135 HA TYR 135 9.185 -3.937 -1.270 1014 1HB TYR 135 HB2 TYR 135 9.590 -6.841 -0.466 1015 2HB TYR 135 HB3 TYR 135 8.608 -6.341 -1.837 1016 HD1 TYR 135 HD1 TYR 135 12.093 -6.367 -0.506 1017 HD2 TYR 135 HD2 TYR 135 9.573 -5.785 -3.947 1018 HE1 TYR 135 HE1 TYR 135 14.087 -6.400 -1.952 1019 HE2 TYR 135 HE2 TYR 135 11.582 -5.901 -5.412 1020 HH TYR 135 HH TYR 135 14.876 -6.278 -4.123 1021 H TYR 136 H TYR 136 6.932 -3.996 -1.551 1022 HA TYR 136 HA TYR 136 5.319 -4.774 0.841 1023 1HB TYR 136 HB2 TYR 136 3.615 -3.270 0.161 1024 2HB TYR 136 HB3 TYR 136 5.103 -2.399 0.452 1025 HD1 TYR 136 HD1 TYR 136 2.658 -3.478 -2.128 1026 HD2 TYR 136 HD2 TYR 136 6.193 -1.160 -1.339 1027 HE1 TYR 136 HE1 TYR 136 2.310 -2.184 -4.256 1028 HE2 TYR 136 HE2 TYR 136 5.832 0.104 -3.441 1029 HH TYR 136 HH TYR 136 4.601 0.225 -5.377 1030 H VAL 137 H VAL 137 3.854 -6.395 0.479 1031 HA VAL 137 HA VAL 137 3.142 -7.144 -2.319 1032 HB VAL 137 HB VAL 137 3.385 -9.530 -1.684 1033 1HG1 VAL 137 HG13 VAL 137 5.979 -7.944 -1.607 1034 2HG1 VAL 137 HG11 VAL 137 5.853 -9.702 -1.775 1035 3HG1 VAL 137 HG12 VAL 137 5.160 -8.669 -3.018 1036 1HG2 VAL 137 HG21 VAL 137 3.342 -9.319 0.785 1037 2HG2 VAL 137 HG22 VAL 137 4.764 -10.201 0.233 1038 3HG2 VAL 137 HG23 VAL 137 4.925 -8.515 0.751 1039 H CYS 138 H CYS 138 1.063 -7.946 -2.517 1040 HA CYS 138 HA CYS 138 -0.710 -7.790 -0.108 1041 1HB CYS 138 HB2 CYS 138 -1.660 -6.805 -2.113 1042 2HB CYS 138 HB3 CYS 138 -1.160 -8.210 -3.048 1043 H GLN 139 H GLN 139 -1.570 -9.675 0.844 1044 HA GLN 139 HA GLN 139 -0.243 -12.212 -0.082 1045 1HB GLN 139 HB2 GLN 139 -0.860 -11.223 2.705 1046 2HB GLN 139 HB3 GLN 139 -0.165 -12.793 2.312 1047 1HG GLN 139 HG2 GLN 139 1.134 -10.125 1.562 1048 2HG GLN 139 HG3 GLN 139 1.520 -11.060 2.993 1049 1HE2 GLN 139 HE21 GLN 139 2.925 -12.367 -0.646 1050 2HE2 GLN 139 HE22 GLN 139 1.558 -11.267 -0.643 1051 H ILE 140 H ILE 140 -2.634 -11.512 -1.222 1052 HA ILE 140 HA ILE 140 -4.454 -13.606 -0.128 1053 HB ILE 140 HB ILE 140 -4.814 -11.497 -2.262 1054 1HG1 ILE 140 HG12 ILE 140 -6.142 -12.084 0.426 1055 2HG1 ILE 140 HG13 ILE 140 -5.060 -10.734 0.057 1056 1HG2 ILE 140 HG22 ILE 140 -5.856 -13.664 -3.005 1057 2HG2 ILE 140 HG23 ILE 140 -6.777 -13.698 -1.484 1058 3HG2 ILE 140 HG21 ILE 140 -7.047 -12.420 -2.680 1059 1HD1 ILE 140 HD11 ILE 140 -6.760 -9.873 -1.574 1060 2HD1 ILE 140 HD12 ILE 140 -7.873 -11.158 -1.030 1061 3HD1 ILE 140 HD13 ILE 140 -7.305 -9.948 0.117 1062 HA PRO 141 HA PRO 141 -2.101 -16.502 -2.454 1063 1HB PRO 141 HB2 PRO 141 -4.834 -17.454 -3.368 1064 2HB PRO 141 HB3 PRO 141 -3.397 -18.452 -2.983 1065 1HG PRO 141 HG2 PRO 141 -5.280 -18.064 -1.077 1066 2HG PRO 141 HG3 PRO 141 -3.555 -17.882 -0.648 1067 1HD PRO 141 HD2 PRO 141 -5.590 -15.727 -1.171 1068 2HD PRO 141 HD3 PRO 141 -4.264 -15.785 0.030 1069 H GLY 142 H GLY 142 -1.009 -16.385 -4.314 1070 1HA GLY 142 HA2 GLY 142 -0.573 -16.093 -6.560 1071 2HA GLY 142 HA3 GLY 142 -2.287 -15.843 -6.864 1072 H HIS 143 H HIS 143 -2.189 -13.486 -4.734 1073 HA HIS 143 HA HIS 143 -2.038 -11.535 -6.796 1074 1HB HIS 143 HB2 HIS 143 -2.134 -11.188 -3.791 1075 2HB HIS 143 HB3 HIS 143 -2.189 -9.878 -4.964 1076 HD2 HIS 143 HD2 HIS 143 -4.181 -12.981 -6.014 1077 HE1 HIS 143 HE1 HIS 143 -7.033 -10.192 -4.592 1078 HE2 HIS 143 HE2 HIS 143 -6.693 -12.406 -5.782 1079 H ALA 144 H ALA 144 0.302 -12.026 -4.071 1080 HA ALA 144 HA ALA 144 2.219 -10.159 -4.967 1081 1HB ALA 144 HB2 ALA 144 2.318 -11.331 -2.797 1082 2HB ALA 144 HB3 ALA 144 2.808 -12.829 -3.621 1083 3HB ALA 144 HB1 ALA 144 3.846 -11.387 -3.684 1084 H ALA 145 H ALA 145 1.851 -13.627 -5.790 1085 HA ALA 145 HA ALA 145 4.142 -13.913 -7.388 1086 1HB ALA 145 HB3 ALA 145 2.780 -15.790 -6.493 1087 2HB ALA 145 HB1 ALA 145 1.496 -15.407 -7.659 1088 3HB ALA 145 HB2 ALA 145 3.086 -15.947 -8.228 1089 H THR 146 H THR 146 0.854 -12.857 -8.314 1090 HA THR 146 HA THR 146 1.540 -12.767 -11.150 1091 HB THR 146 HB THR 146 -0.698 -11.590 -11.315 1092 HG1 THR 146 HG1 THR 146 -0.924 -12.416 -8.610 1093 1HG2 THR 146 HG23 THR 146 -0.585 -14.332 -9.965 1094 2HG2 THR 146 HG21 THR 146 -1.985 -13.658 -10.828 1095 3HG2 THR 146 HG22 THR 146 -0.482 -14.002 -11.705 1096 H GLY 147 H GLY 147 1.276 -10.350 -8.498 1097 1HA GLY 147 HA2 GLY 147 3.345 -8.826 -8.999 1098 2HA GLY 147 HA3 GLY 147 2.389 -8.278 -10.376 1099 H MET 148 H MET 148 0.642 -8.931 -7.346 1100 HA MET 148 HA MET 148 0.065 -6.059 -7.185 1101 1HB MET 148 HB2 MET 148 -1.569 -8.027 -6.731 1102 2HB MET 148 HB3 MET 148 -0.872 -8.066 -5.112 1103 1HG MET 148 HG2 MET 148 -1.357 -6.010 -4.521 1104 2HG MET 148 HG3 MET 148 -1.762 -5.458 -6.144 1105 1HE MET 148 HE3 MET 148 -3.424 -4.230 -5.130 1106 2HE MET 148 HE2 MET 148 -4.787 -4.834 -4.134 1107 3HE MET 148 HE1 MET 148 -3.099 -5.014 -3.553 1108 H PHE 149 H PHE 149 2.397 -5.474 -6.900 1109 HA PHE 149 HA PHE 149 3.198 -5.391 -4.090 1110 1HB PHE 149 HB2 PHE 149 4.982 -6.859 -4.177 1111 2HB PHE 149 HB3 PHE 149 3.912 -7.669 -5.285 1112 HD1 PHE 149 HD1 PHE 149 4.253 -6.587 -7.886 1113 HD2 PHE 149 HD2 PHE 149 7.211 -6.628 -4.750 1114 HE1 PHE 149 HE1 PHE 149 6.036 -6.338 -9.568 1115 HE2 PHE 149 HE2 PHE 149 8.988 -6.322 -6.436 1116 HZ PHE 149 HZ PHE 149 8.412 -6.196 -8.855 1117 H GLY 150 H GLY 150 5.633 -4.487 -4.052 1118 1HA GLY 150 HA2 GLY 150 6.729 -3.112 -6.289 1119 2HA GLY 150 HA3 GLY 150 5.857 -1.942 -5.319 1120 H LYS 151 H LYS 151 8.512 -1.631 -5.556 1121 HA LYS 151 HA LYS 151 9.899 -3.008 -3.314 1122 1HB LYS 151 HB2 LYS 151 11.400 -1.405 -5.345 1123 2HB LYS 151 HB3 LYS 151 11.845 -2.859 -4.467 1124 1HG LYS 151 HG2 LYS 151 10.198 -4.131 -5.947 1125 2HG LYS 151 HG3 LYS 151 9.974 -2.628 -6.861 1126 1HD LYS 151 HD2 LYS 151 12.370 -2.531 -7.401 1127 2HD LYS 151 HD3 LYS 151 12.671 -4.000 -6.465 1128 1HE LYS 151 HE2 LYS 151 12.555 -4.527 -8.849 1129 2HE LYS 151 HE3 LYS 151 11.202 -5.293 -8.002 1130 1HZ LYS 151 HZ1 LYS 151 11.061 -2.767 -9.503 1131 2HZ LYS 151 HZ2 LYS 151 10.551 -4.234 -10.055 1132 3HZ LYS 151 HZ3 LYS 151 9.796 -3.529 -8.773 1133 H ILE 152 H ILE 152 11.070 -1.764 -1.812 1134 HA ILE 152 HA ILE 152 10.473 1.173 -1.694 1135 HB ILE 152 HB ILE 152 10.507 -0.886 0.533 1136 1HG1 ILE 152 HG12 ILE 152 8.009 0.634 -0.129 1137 2HG1 ILE 152 HG13 ILE 152 8.397 -0.812 -1.068 1138 1HG2 ILE 152 HG23 ILE 152 11.268 1.373 1.256 1139 2HG2 ILE 152 HG21 ILE 152 9.803 2.080 0.558 1140 3HG2 ILE 152 HG22 ILE 152 9.699 0.997 1.960 1141 1HD1 ILE 152 HD13 ILE 152 8.434 -0.895 1.965 1142 2HD1 ILE 152 HD11 ILE 152 6.987 -1.234 0.998 1143 3HD1 ILE 152 HD12 ILE 152 8.444 -2.228 0.817 1144 H VAL 153 H VAL 153 12.585 1.866 -2.339 1145 HA VAL 153 HA VAL 153 14.956 0.564 -1.137 1146 HB VAL 153 HB VAL 153 14.706 3.146 -2.675 1147 1HG1 VAL 153 HG12 VAL 153 17.095 1.369 -1.944 1148 2HG1 VAL 153 HG13 VAL 153 17.182 2.707 -3.108 1149 3HG1 VAL 153 HG11 VAL 153 16.795 3.036 -1.418 1150 1HG2 VAL 153 HG23 VAL 153 15.376 0.333 -3.681 1151 2HG2 VAL 153 HG21 VAL 153 13.947 1.292 -4.125 1152 3HG2 VAL 153 HG22 VAL 153 15.553 1.816 -4.643 1153 H VAL 154 H VAL 154 15.863 1.292 0.777 1154 HA VAL 154 HA VAL 154 14.732 3.778 2.031 1155 HB VAL 154 HB VAL 154 15.634 1.232 3.417 1156 1HG1 VAL 154 HG12 VAL 154 14.218 3.756 4.413 1157 2HG1 VAL 154 HG13 VAL 154 14.612 2.340 5.400 1158 3HG1 VAL 154 HG11 VAL 154 15.911 3.334 4.733 1159 1HG2 VAL 154 HG22 VAL 154 12.822 2.274 2.903 1160 2HG2 VAL 154 HG23 VAL 154 13.534 0.779 2.243 1161 3HG2 VAL 154 HG21 VAL 154 13.258 0.927 3.975 1162 H LYS 155 H LYS 155 16.379 5.168 1.355 1163 HA LYS 155 HA LYS 155 19.006 4.752 2.611 1164 1HB LYS 155 HB2 LYS 155 18.858 5.079 -0.413 1165 2HB LYS 155 HB3 LYS 155 20.313 5.083 0.611 1166 1HG LYS 155 HG2 LYS 155 19.938 2.752 1.234 1167 2HG LYS 155 HG3 LYS 155 18.496 2.676 0.202 1168 1HD LYS 155 HD2 LYS 155 19.822 3.220 -1.788 1169 2HD LYS 155 HD3 LYS 155 21.300 3.304 -0.816 1170 1HE LYS 155 HE2 LYS 155 19.530 0.820 -1.090 1171 2HE LYS 155 HE3 LYS 155 20.996 1.127 -2.035 1172 1HZ LYS 155 HZ2 LYS 155 22.240 1.175 -0.003 1173 2HZ LYS 155 HZ3 LYS 155 20.886 0.873 0.884 1174 3HZ LYS 155 HZ1 LYS 155 21.447 -0.259 -0.172 No H/Q in entry = 1174 Start of MODEL 3 1 H GLY 1 H GLY 1 -2.702 -12.477 11.101 2 1HA GLY 1 HA2 GLY 1 -3.605 -11.366 9.005 3 2HA GLY 1 HA3 GLY 1 -4.866 -11.962 10.103 4 H THR 2 H THR 2 -4.446 -9.961 12.160 5 HA THR 2 HA THR 2 -5.973 -7.715 11.082 6 HB THR 2 HB THR 2 -5.897 -7.175 13.617 7 HG1 THR 2 HG1 THR 2 -5.196 -8.964 14.870 8 1HG2 THR 2 HG22 THR 2 -7.829 -8.307 12.536 9 2HG2 THR 2 HG21 THR 2 -7.029 -9.880 12.743 10 3HG2 THR 2 HG23 THR 2 -7.532 -8.942 14.164 11 H LEU 3 H LEU 3 -2.711 -8.460 11.940 12 HA LEU 3 HA LEU 3 -0.938 -7.172 12.580 13 1HB LEU 3 HB2 LEU 3 -1.577 -7.132 9.728 14 2HB LEU 3 HB3 LEU 3 -0.407 -5.927 10.123 15 HG LEU 3 HG LEU 3 0.655 -7.921 9.361 16 1HD1 LEU 3 HD11 LEU 3 1.790 -6.610 11.081 17 2HD1 LEU 3 HD12 LEU 3 1.183 -7.708 12.340 18 3HD1 LEU 3 HD13 LEU 3 2.262 -8.319 11.076 19 1HD2 LEU 3 HD22 LEU 3 -1.126 -9.564 9.983 20 2HD2 LEU 3 HD21 LEU 3 0.488 -10.092 10.495 21 3HD2 LEU 3 HD23 LEU 3 -0.644 -9.430 11.689 22 H ASP 4 H ASP 4 -2.330 -4.734 10.448 23 HA ASP 4 HA ASP 4 -1.082 -2.558 11.701 24 1HB ASP 4 HB2 ASP 4 -1.738 -2.037 9.625 25 2HB ASP 4 HB3 ASP 4 -3.273 -2.939 9.719 26 HD2 ASP 4 HD ASP 4 -5.142 -0.367 10.465 27 H THR 5 H THR 5 -4.302 -3.937 12.339 28 HA THR 5 HA THR 5 -5.910 -3.546 13.822 29 HB THR 5 HB THR 5 -5.513 -2.886 16.056 30 HG1 THR 5 HG1 THR 5 -2.999 -1.966 15.157 31 1HG2 THR 5 HG21 THR 5 -4.758 -5.146 15.315 32 2HG2 THR 5 HG22 THR 5 -3.120 -4.497 15.092 33 3HG2 THR 5 HG23 THR 5 -3.851 -4.514 16.704 34 H THR 6 H THR 6 -4.071 -0.537 13.251 35 HA THR 6 HA THR 6 -6.302 1.205 13.889 36 HB THR 6 HB THR 6 -3.654 1.731 12.430 37 HG1 THR 6 HG1 THR 6 -3.518 0.894 14.598 38 1HG2 THR 6 HG21 THR 6 -5.626 3.613 13.808 39 2HG2 THR 6 HG22 THR 6 -4.016 4.050 13.188 40 3HG2 THR 6 HG23 THR 6 -5.287 3.556 12.061 41 H TRP 7 H TRP 7 -7.783 -0.062 12.584 42 HA TRP 7 HA TRP 7 -7.794 0.339 9.607 43 1HB TRP 7 HB2 TRP 7 -9.403 -1.428 11.547 44 2HB TRP 7 HB3 TRP 7 -9.617 -1.386 9.803 45 HD1 TRP 7 HD1 TRP 7 -7.852 -3.299 12.394 46 HE1 TRP 7 HE1 TRP 7 -6.135 -4.923 11.335 47 HE3 TRP 7 HE3 TRP 7 -7.868 -1.462 7.667 48 HZ2 TRP 7 HZ2 TRP 7 -5.184 -5.515 8.673 49 HZ3 TRP 7 HZ3 TRP 7 -6.371 -2.414 5.943 50 HH2 TRP 7 HH2 TRP 7 -5.167 -4.526 6.377 51 H LYS 8 H LYS 8 -9.501 1.729 8.742 52 HA LYS 8 HA LYS 8 -11.874 2.212 10.362 53 1HB LYS 8 HB2 LYS 8 -9.992 4.505 9.611 54 2HB LYS 8 HB3 LYS 8 -11.635 4.708 10.234 55 1HG LYS 8 HG2 LYS 8 -10.889 3.544 12.360 56 2HG LYS 8 HG3 LYS 8 -9.245 3.579 11.719 57 1HD LYS 8 HD2 LYS 8 -9.494 5.423 13.223 58 2HD LYS 8 HD3 LYS 8 -9.275 6.028 11.581 59 1HE LYS 8 HE2 LYS 8 -10.965 7.310 12.856 60 2HE LYS 8 HE3 LYS 8 -11.675 6.575 11.422 61 1HZ LYS 8 HZ1 LYS 8 -11.857 5.514 14.157 62 2HZ LYS 8 HZ2 LYS 8 -13.052 6.310 13.346 63 3HZ LYS 8 HZ3 LYS 8 -12.542 4.835 12.819 64 H GLU 9 H GLU 9 -13.174 4.129 8.974 65 HA GLU 9 HA GLU 9 -12.609 3.724 6.154 66 1HB GLU 9 HB2 GLU 9 -15.508 3.551 6.955 67 2HB GLU 9 HB3 GLU 9 -14.713 3.176 5.423 68 1HG GLU 9 HG2 GLU 9 -15.348 1.068 6.403 69 2HG GLU 9 HG3 GLU 9 -13.603 1.176 6.656 70 HE2 GLU 9 HE GLU 9 -14.137 0.482 9.968 71 H ALA 10 H ALA 10 -13.342 5.370 4.867 72 HA ALA 10 HA ALA 10 -14.427 7.855 6.136 73 1HB ALA 10 HB3 ALA 10 -11.945 7.986 5.561 74 2HB ALA 10 HB1 ALA 10 -12.381 7.653 3.867 75 3HB ALA 10 HB2 ALA 10 -12.975 9.122 4.706 76 H THR 11 H THR 11 -14.580 9.068 3.378 77 HA THR 11 HA THR 11 -16.208 7.130 1.882 78 HB THR 11 HB THR 11 -18.026 8.600 1.542 79 HG1 THR 11 HG1 THR 11 -16.415 10.525 2.892 80 1HG2 THR 11 HG21 THR 11 -18.034 7.467 3.780 81 2HG2 THR 11 HG22 THR 11 -17.389 8.954 4.503 82 3HG2 THR 11 HG23 THR 11 -18.975 8.970 3.716 83 H LEU 12 H LEU 12 -16.662 8.144 -0.359 84 HA LEU 12 HA LEU 12 -14.435 8.198 -1.790 85 1HB LEU 12 HB2 LEU 12 -16.675 8.089 -2.695 86 2HB LEU 12 HB3 LEU 12 -16.905 9.818 -2.516 87 HG LEU 12 HG LEU 12 -14.466 8.909 -4.039 88 1HD1 LEU 12 HD13 LEU 12 -17.288 8.736 -5.178 89 2HD1 LEU 12 HD11 LEU 12 -15.781 8.578 -6.107 90 3HD1 LEU 12 HD12 LEU 12 -16.189 7.369 -4.880 91 1HD2 LEU 12 HD21 LEU 12 -16.539 11.098 -4.540 92 2HD2 LEU 12 HD22 LEU 12 -14.936 11.344 -3.819 93 3HD2 LEU 12 HD23 LEU 12 -15.072 10.820 -5.497 94 HA PRO 13 HA PRO 13 -13.749 12.931 -2.028 95 1HB PRO 13 HB2 PRO 13 -14.496 14.423 0.250 96 2HB PRO 13 HB3 PRO 13 -15.370 14.346 -1.303 97 1HG PRO 13 HG2 PRO 13 -15.861 12.688 1.182 98 2HG PRO 13 HG3 PRO 13 -17.069 13.537 0.173 99 1HD PRO 13 HD2 PRO 13 -16.700 10.930 -0.153 100 2HD PRO 13 HD3 PRO 13 -16.771 11.956 -1.604 101 H GLN 14 H GLN 14 -13.568 11.147 1.101 102 HA GLN 14 HA GLN 14 -11.155 12.555 1.916 103 1HB GLN 14 HB2 GLN 14 -12.282 9.936 2.860 104 2HB GLN 14 HB3 GLN 14 -10.825 10.752 3.477 105 1HG GLN 14 HG2 GLN 14 -12.514 11.376 5.010 106 2HG GLN 14 HG3 GLN 14 -12.105 12.787 4.041 107 1HE2 GLN 14 HE21 GLN 14 -15.544 13.282 3.381 108 2HE2 GLN 14 HE22 GLN 14 -13.979 13.981 3.740 109 H VAL 15 H VAL 15 -11.880 9.859 -0.266 110 HA VAL 15 HA VAL 15 -9.236 8.699 -0.286 111 HB VAL 15 HB VAL 15 -11.230 8.891 -2.587 112 1HG1 VAL 15 HG13 VAL 15 -8.806 7.135 -2.122 113 2HG1 VAL 15 HG11 VAL 15 -10.065 6.819 -3.344 114 3HG1 VAL 15 HG12 VAL 15 -9.092 8.288 -3.436 115 1HG2 VAL 15 HG21 VAL 15 -10.909 6.728 -0.466 116 2HG2 VAL 15 HG22 VAL 15 -12.293 7.823 -0.617 117 3HG2 VAL 15 HG23 VAL 15 -11.955 6.668 -1.907 118 H LYS 16 H LYS 16 -10.847 11.222 -2.212 119 HA LYS 16 HA LYS 16 -8.614 11.960 -3.821 120 1HB LYS 16 HB2 LYS 16 -10.962 13.674 -2.895 121 2HB LYS 16 HB3 LYS 16 -9.820 14.050 -4.194 122 1HG LYS 16 HG2 LYS 16 -10.557 12.034 -5.444 123 2HG LYS 16 HG3 LYS 16 -11.666 11.612 -4.142 124 1HD LYS 16 HD2 LYS 16 -12.880 12.677 -5.962 125 2HD LYS 16 HD3 LYS 16 -12.982 13.630 -4.479 126 1HE LYS 16 HE2 LYS 16 -12.663 15.031 -6.502 127 2HE LYS 16 HE3 LYS 16 -11.359 15.252 -5.335 128 1HZ LYS 16 HZ1 LYS 16 -11.245 13.551 -7.732 129 2HZ LYS 16 HZ2 LYS 16 -10.549 15.035 -7.565 130 3HZ LYS 16 HZ3 LYS 16 -10.018 13.772 -6.652 131 H ALA 17 H ALA 17 -9.875 13.366 -0.753 132 HA ALA 17 HA ALA 17 -7.908 15.273 -0.299 133 1HB ALA 17 HB1 ALA 17 -9.937 14.912 1.101 134 2HB ALA 17 HB2 ALA 17 -9.150 13.499 1.849 135 3HB ALA 17 HB3 ALA 17 -8.451 15.114 2.052 136 H MET 18 H MET 18 -7.766 11.829 0.808 137 HA MET 18 HA MET 18 -5.193 12.027 1.960 138 1HB MET 18 HB2 MET 18 -6.789 9.693 0.915 139 2HB MET 18 HB3 MET 18 -5.152 9.493 1.566 140 1HG MET 18 HG2 MET 18 -5.758 10.563 3.661 141 2HG MET 18 HG3 MET 18 -7.410 10.836 3.105 142 1HE MET 18 HE3 MET 18 -8.361 8.300 1.808 143 2HE MET 18 HE1 MET 18 -8.964 7.312 3.164 144 3HE MET 18 HE2 MET 18 -9.263 9.067 3.127 145 H LEU 19 H LEU 19 -6.123 10.879 -1.340 146 HA LEU 19 HA LEU 19 -3.514 10.383 -2.295 147 1HB LEU 19 HB2 LEU 19 -6.003 11.387 -3.717 148 2HB LEU 19 HB3 LEU 19 -4.529 10.941 -4.577 149 HG LEU 19 HG LEU 19 -5.963 8.988 -2.727 150 1HD1 LEU 19 HD13 LEU 19 -7.505 9.724 -4.521 151 2HD1 LEU 19 HD11 LEU 19 -6.271 9.361 -5.742 152 3HD1 LEU 19 HD12 LEU 19 -6.980 8.050 -4.777 153 1HD2 LEU 19 HD21 LEU 19 -3.584 8.432 -3.316 154 2HD2 LEU 19 HD22 LEU 19 -4.732 7.307 -4.051 155 3HD2 LEU 19 HD23 LEU 19 -4.005 8.595 -5.028 156 H GLU 20 H GLU 20 -5.321 13.474 -2.373 157 HA GLU 20 HA GLU 20 -3.349 15.015 -3.697 158 1HB GLU 20 HB2 GLU 20 -5.368 15.784 -1.557 159 2HB GLU 20 HB3 GLU 20 -4.415 16.946 -2.489 160 1HG GLU 20 HG2 GLU 20 -5.474 16.386 -4.540 161 2HG GLU 20 HG3 GLU 20 -6.178 14.903 -3.897 162 HE1 GLU 20 HE GLU 20 -7.841 18.270 -2.473 163 H LYS 21 H LYS 21 -3.413 13.834 -0.342 164 HA LYS 21 HA LYS 21 -1.151 15.632 0.416 165 1HB LYS 21 HB2 LYS 21 -3.203 14.009 1.910 166 2HB LYS 21 HB3 LYS 21 -1.638 14.283 2.655 167 1HG LYS 21 HG2 LYS 21 -3.146 15.896 3.448 168 2HG LYS 21 HG3 LYS 21 -1.869 16.694 2.540 169 1HD LYS 21 HD2 LYS 21 -4.413 16.049 1.065 170 2HD LYS 21 HD3 LYS 21 -4.517 17.270 2.333 171 1HE LYS 21 HE2 LYS 21 -2.721 18.591 1.276 172 2HE LYS 21 HE3 LYS 21 -2.588 17.400 -0.024 173 1HZ LYS 21 HZ2 LYS 21 -4.882 17.860 -0.572 174 2HZ LYS 21 HZ3 LYS 21 -4.958 19.005 0.609 175 3HZ LYS 21 HZ1 LYS 21 -3.946 19.211 -0.674 176 H ASP 22 H ASP 22 -1.189 12.924 -1.427 177 HA ASP 22 HA ASP 22 0.685 11.306 0.088 178 1HB ASP 22 HB2 ASP 22 -0.605 10.355 -1.810 179 2HB ASP 22 HB3 ASP 22 0.259 11.430 -2.918 180 HD1 ASP 22 HD ASP 22 1.349 9.152 -0.303 181 H THR 23 H THR 23 2.652 12.210 0.746 182 HA THR 23 HA THR 23 3.858 14.376 -0.710 183 HB THR 23 HB THR 23 5.587 13.974 1.204 184 HG1 THR 23 HG1 THR 23 4.789 12.667 2.838 185 1HG2 THR 23 HG21 THR 23 3.797 15.685 1.285 186 2HG2 THR 23 HG22 THR 23 2.659 14.470 1.901 187 3HG2 THR 23 HG23 THR 23 4.071 14.938 2.868 188 H GLY 24 H GLY 24 3.714 12.101 -2.455 189 1HA GLY 24 HA2 GLY 24 6.536 11.060 -2.690 190 2HA GLY 24 HA3 GLY 24 5.048 10.297 -3.241 191 H LYS 25 H LYS 25 7.611 12.366 -4.084 192 HA LYS 25 HA LYS 25 6.298 13.773 -6.295 193 1HB LYS 25 HB2 LYS 25 9.247 13.443 -5.589 194 2HB LYS 25 HB3 LYS 25 8.557 14.620 -6.716 195 1HG LYS 25 HG2 LYS 25 7.324 15.684 -4.836 196 2HG LYS 25 HG3 LYS 25 8.040 14.520 -3.701 197 1HD LYS 25 HD2 LYS 25 10.315 15.265 -4.332 198 2HD LYS 25 HD3 LYS 25 9.625 16.496 -5.403 199 1HE LYS 25 HE2 LYS 25 9.185 16.291 -2.381 200 2HE LYS 25 HE3 LYS 25 10.310 17.397 -3.179 201 1HZ LYS 25 HZ3 LYS 25 8.446 18.403 -4.291 202 2HZ LYS 25 HZ1 LYS 25 7.395 17.394 -3.522 203 3HZ LYS 25 HZ2 LYS 25 8.273 18.484 -2.655 204 H VAL 26 H VAL 26 6.816 13.319 -8.544 205 HA VAL 26 HA VAL 26 6.984 10.496 -9.136 206 HB VAL 26 HB VAL 26 6.967 13.006 -10.852 207 1HG1 VAL 26 HG13 VAL 26 6.927 10.091 -11.704 208 2HG1 VAL 26 HG11 VAL 26 6.379 11.427 -12.743 209 3HG1 VAL 26 HG12 VAL 26 8.062 11.356 -12.220 210 1HG2 VAL 26 HG21 VAL 26 4.850 10.904 -10.242 211 2HG2 VAL 26 HG22 VAL 26 4.869 12.566 -9.619 212 3HG2 VAL 26 HG23 VAL 26 4.653 12.281 -11.351 213 H SER 27 H SER 27 8.679 9.294 -10.017 214 HA SER 27 HA SER 27 11.147 10.627 -10.926 215 1HB SER 27 HB2 SER 27 11.111 8.513 -8.735 216 2HB SER 27 HB3 SER 27 12.548 9.214 -9.500 217 HG SER 27 HG SER 27 11.082 11.247 -8.684 218 H GLY 28 H GLY 28 9.777 9.854 -12.826 219 1HA GLY 28 HA2 GLY 28 9.619 8.459 -14.637 220 2HA GLY 28 HA3 GLY 28 10.954 7.499 -13.976 221 H ASP 29 H ASP 29 10.425 5.471 -13.199 222 HA ASP 29 HA ASP 29 7.600 4.608 -13.044 223 1HB ASP 29 HB2 ASP 29 8.526 2.423 -12.570 224 2HB ASP 29 HB3 ASP 29 9.424 3.107 -13.938 225 HD2 ASP 29 HD ASP 29 11.062 2.881 -10.297 226 H THR 30 H THR 30 10.177 5.762 -10.970 227 HA THR 30 HA THR 30 9.135 4.499 -8.553 228 HB THR 30 HB THR 30 11.564 6.244 -9.169 229 HG1 THR 30 HG1 THR 30 12.677 4.412 -9.377 230 1HG2 THR 30 HG21 THR 30 11.114 6.265 -6.739 231 2HG2 THR 30 HG22 THR 30 11.292 4.493 -6.739 232 3HG2 THR 30 HG23 THR 30 12.634 5.512 -7.249 233 H VAL 31 H VAL 31 8.667 5.788 -6.662 234 HA VAL 31 HA VAL 31 7.928 8.622 -7.153 235 HB VAL 31 HB VAL 31 6.332 6.494 -5.683 236 1HG1 VAL 31 HG11 VAL 31 6.529 8.533 -4.226 237 2HG1 VAL 31 HG12 VAL 31 5.961 9.512 -5.593 238 3HG1 VAL 31 HG13 VAL 31 4.888 8.309 -4.848 239 1HG2 VAL 31 HG23 VAL 31 5.581 8.537 -7.838 240 2HG2 VAL 31 HG21 VAL 31 5.794 6.789 -8.062 241 3HG2 VAL 31 HG22 VAL 31 4.459 7.405 -7.066 242 H THR 32 H THR 32 8.769 9.967 -5.561 243 HA THR 32 HA THR 32 10.604 8.696 -3.590 244 HB THR 32 HB THR 32 11.096 11.097 -5.398 245 HG1 THR 32 HG1 THR 32 11.779 9.654 -6.695 246 1HG2 THR 32 HG21 THR 32 12.893 9.744 -3.331 247 2HG2 THR 32 HG22 THR 32 13.423 10.956 -4.515 248 3HG2 THR 32 HG23 THR 32 12.253 11.396 -3.262 249 H TYR 33 H TYR 33 10.131 9.299 -1.586 250 HA TYR 33 HA TYR 33 8.303 11.592 -1.203 251 1HB TYR 33 HB2 TYR 33 9.222 9.393 0.672 252 2HB TYR 33 HB3 TYR 33 8.173 10.748 1.114 253 HD1 TYR 33 HD1 TYR 33 8.349 7.863 -1.317 254 HD2 TYR 33 HD2 TYR 33 5.853 10.625 0.860 255 HE1 TYR 33 HE1 TYR 33 6.328 6.901 -2.374 256 HE2 TYR 33 HE2 TYR 33 3.850 9.606 -0.139 257 HH TYR 33 HH TYR 33 3.041 8.069 -1.704 258 H SER 34 H SER 34 8.796 12.940 0.875 259 HA SER 34 HA SER 34 11.647 13.508 1.235 260 1HB SER 34 HB2 SER 34 9.742 15.547 -0.001 261 2HB SER 34 HB3 SER 34 11.414 15.853 0.502 262 HG SER 34 HG SER 34 11.489 13.739 -1.079 263 H GLY 35 H GLY 35 11.998 14.822 3.075 264 1HA GLY 35 HA2 GLY 35 11.516 15.674 5.161 265 2HA GLY 35 HA3 GLY 35 9.798 15.793 4.728 266 H LYS 36 H LYS 36 10.111 14.917 7.211 267 HA LYS 36 HA LYS 36 10.498 12.030 7.326 268 1HB LYS 36 HB2 LYS 36 9.587 14.032 9.424 269 2HB LYS 36 HB3 LYS 36 9.737 12.286 9.680 270 1HG LYS 36 HG2 LYS 36 12.138 12.470 8.819 271 2HG LYS 36 HG3 LYS 36 11.975 14.226 8.972 272 1HD LYS 36 HD2 LYS 36 11.487 13.998 11.374 273 2HD LYS 36 HD3 LYS 36 11.480 12.232 11.248 274 1HE LYS 36 HE2 LYS 36 13.908 14.011 10.743 275 2HE LYS 36 HE3 LYS 36 13.588 13.070 12.210 276 1HZ LYS 36 HZ1 LYS 36 13.601 11.075 10.821 277 2HZ LYS 36 HZ2 LYS 36 14.046 11.985 9.524 278 3HZ LYS 36 HZ3 LYS 36 15.044 11.876 10.827 279 H THR 37 H THR 37 7.704 14.150 6.844 280 HA THR 37 HA THR 37 5.789 12.167 7.653 281 HB THR 37 HB THR 37 5.321 14.616 5.907 282 HG1 THR 37 HG1 THR 37 5.628 14.470 8.720 283 1HG2 THR 37 HG21 THR 37 3.650 13.223 8.061 284 2HG2 THR 37 HG22 THR 37 3.183 14.676 7.150 285 3HG2 THR 37 HG23 THR 37 3.370 13.124 6.311 286 H VAL 38 H VAL 38 6.737 10.374 6.354 287 HA VAL 38 HA VAL 38 6.385 10.473 3.417 288 HB VAL 38 HB VAL 38 7.511 8.417 5.321 289 1HG1 VAL 38 HG11 VAL 38 7.096 8.276 2.305 290 2HG1 VAL 38 HG12 VAL 38 8.286 7.295 3.176 291 3HG1 VAL 38 HG13 VAL 38 6.569 7.106 3.527 292 1HG2 VAL 38 HG22 VAL 38 8.821 10.511 4.820 293 2HG2 VAL 38 HG23 VAL 38 9.591 9.017 4.247 294 3HG2 VAL 38 HG21 VAL 38 8.767 10.089 3.113 295 H HIS 39 H HIS 39 4.204 10.932 3.320 296 HA HIS 39 HA HIS 39 2.251 9.125 4.562 297 1HB HIS 39 HB2 HIS 39 2.006 11.586 4.593 298 2HB HIS 39 HB3 HIS 39 1.928 11.608 2.830 299 HD1 HIS 39 HD1 HIS 39 -0.524 12.061 2.245 300 HD2 HIS 39 HD2 HIS 39 0.009 9.412 5.477 301 HE1 HIS 39 HE1 HIS 39 -2.874 11.240 2.916 302 HE2 HIS 39 HE2 HIS 39 -2.512 9.605 4.880 303 H VAL 40 H VAL 40 2.616 7.161 3.437 304 HA VAL 40 HA VAL 40 2.599 7.081 0.492 305 HB VAL 40 HB VAL 40 2.736 4.910 2.617 306 1HG1 VAL 40 HG12 VAL 40 3.047 4.707 -0.412 307 2HG1 VAL 40 HG13 VAL 40 3.406 3.416 0.756 308 3HG1 VAL 40 HG11 VAL 40 1.746 3.976 0.553 309 1HG2 VAL 40 HG23 VAL 40 4.727 6.362 2.517 310 2HG2 VAL 40 HG21 VAL 40 5.091 4.736 1.922 311 3HG2 VAL 40 HG22 VAL 40 4.869 6.069 0.771 312 H VAL 41 H VAL 41 0.628 7.297 -0.527 313 HA VAL 41 HA VAL 41 -1.813 6.359 0.886 314 HB VAL 41 HB VAL 41 -1.600 8.246 -1.456 315 1HG1 VAL 41 HG12 VAL 41 -3.866 7.484 0.454 316 2HG1 VAL 41 HG13 VAL 41 -3.942 8.785 -0.738 317 3HG1 VAL 41 HG11 VAL 41 -3.795 7.101 -1.279 318 1HG2 VAL 41 HG22 VAL 41 -0.566 9.207 0.629 319 2HG2 VAL 41 HG23 VAL 41 -2.086 9.986 0.234 320 3HG2 VAL 41 HG21 VAL 41 -2.028 8.776 1.528 321 H ALA 42 H ALA 42 -2.006 4.236 0.477 322 HA ALA 42 HA ALA 42 -1.482 3.148 -2.243 323 1HB ALA 42 HB1 ALA 42 -1.781 1.849 0.479 324 2HB ALA 42 HB2 ALA 42 -1.587 0.959 -1.051 325 3HB ALA 42 HB3 ALA 42 -0.305 2.044 -0.477 326 H ALA 43 H ALA 43 -3.230 3.444 -3.503 327 HA ALA 43 HA ALA 43 -5.981 3.014 -2.493 328 1HB ALA 43 HB3 ALA 43 -4.858 4.109 -5.098 329 2HB ALA 43 HB1 ALA 43 -6.580 3.949 -4.725 330 3HB ALA 43 HB2 ALA 43 -5.568 5.034 -3.762 331 H ALA 44 H ALA 44 -6.405 0.773 -2.428 332 HA ALA 44 HA ALA 44 -5.040 -0.967 -4.428 333 1HB ALA 44 HB1 ALA 44 -4.989 -1.515 -1.982 334 2HB ALA 44 HB2 ALA 44 -6.736 -1.826 -2.107 335 3HB ALA 44 HB3 ALA 44 -5.605 -2.801 -3.048 336 H VAL 45 H VAL 45 -6.075 -1.216 -6.326 337 HA VAL 45 HA VAL 45 -7.733 -1.290 -7.869 338 HB VAL 45 HB VAL 45 -8.660 -3.553 -6.073 339 1HG1 VAL 45 HG12 VAL 45 -10.023 -3.008 -8.181 340 2HG1 VAL 45 HG13 VAL 45 -8.540 -3.219 -9.102 341 3HG1 VAL 45 HG11 VAL 45 -9.253 -4.597 -8.209 342 1HG2 VAL 45 HG23 VAL 45 -6.365 -3.526 -8.053 343 2HG2 VAL 45 HG21 VAL 45 -6.223 -3.739 -6.291 344 3HG2 VAL 45 HG22 VAL 45 -7.039 -4.968 -7.271 345 H LEU 46 H LEU 46 -8.692 0.820 -7.277 346 HA LEU 46 HA LEU 46 -11.067 0.805 -5.601 347 1HB LEU 46 HB2 LEU 46 -9.635 2.819 -7.344 348 2HB LEU 46 HB3 LEU 46 -11.271 3.173 -6.797 349 HG LEU 46 HG LEU 46 -10.654 3.004 -4.490 350 1HD1 LEU 46 HD12 LEU 46 -7.895 2.144 -5.425 351 2HD1 LEU 46 HD13 LEU 46 -8.285 2.688 -3.772 352 3HD1 LEU 46 HD11 LEU 46 -9.042 1.239 -4.408 353 1HD2 LEU 46 HD21 LEU 46 -10.265 5.152 -5.625 354 2HD2 LEU 46 HD22 LEU 46 -9.054 4.892 -4.354 355 3HD2 LEU 46 HD23 LEU 46 -8.617 4.647 -6.058 356 HA PRO 47 HA PRO 47 -14.294 -0.606 -8.059 357 1HB PRO 47 HB2 PRO 47 -15.457 2.196 -8.037 358 2HB PRO 47 HB3 PRO 47 -16.326 0.638 -7.893 359 1HG PRO 47 HG2 PRO 47 -15.670 1.978 -5.636 360 2HG PRO 47 HG3 PRO 47 -15.327 0.224 -5.729 361 1HD PRO 47 HD2 PRO 47 -13.401 2.509 -6.061 362 2HD PRO 47 HD3 PRO 47 -13.200 0.943 -5.222 363 H GLY 48 H GLY 48 -13.290 2.587 -9.408 364 1HA GLY 48 HA2 GLY 48 -14.279 2.214 -12.024 365 2HA GLY 48 HA3 GLY 48 -12.931 3.262 -11.561 366 H PHE 49 H PHE 49 -11.551 0.669 -10.499 367 HA PHE 49 HA PHE 49 -10.265 -0.043 -13.093 368 1HB PHE 49 HB2 PHE 49 -9.127 -0.083 -10.290 369 2HB PHE 49 HB3 PHE 49 -8.271 -0.377 -11.796 370 HD1 PHE 49 HD1 PHE 49 -7.955 1.562 -13.434 371 HD2 PHE 49 HD2 PHE 49 -9.676 2.137 -9.533 372 HE1 PHE 49 HE1 PHE 49 -7.456 3.993 -13.568 373 HE2 PHE 49 HE2 PHE 49 -9.157 4.564 -9.656 374 HZ PHE 49 HZ PHE 49 -8.021 5.487 -11.667 375 HA PRO 50 HA PRO 50 -12.207 -3.927 -11.501 376 1HB PRO 50 HB2 PRO 50 -12.657 -5.224 -13.847 377 2HB PRO 50 HB3 PRO 50 -13.660 -3.855 -13.295 378 1HG PRO 50 HG2 PRO 50 -11.325 -3.746 -15.223 379 2HG PRO 50 HG3 PRO 50 -12.968 -3.078 -15.458 380 1HD PRO 50 HD2 PRO 50 -10.905 -1.546 -14.574 381 2HD PRO 50 HD3 PRO 50 -12.556 -1.313 -13.925 382 H PHE 51 H PHE 51 -9.948 -3.948 -10.639 383 HA PHE 51 HA PHE 51 -8.153 -5.181 -10.053 384 1HB PHE 51 HB2 PHE 51 -9.440 -7.164 -11.895 385 2HB PHE 51 HB3 PHE 51 -7.755 -7.386 -11.573 386 HD1 PHE 51 HD1 PHE 51 -10.921 -6.558 -9.698 387 HD2 PHE 51 HD2 PHE 51 -7.183 -8.716 -9.693 388 HE1 PHE 51 HE1 PHE 51 -11.474 -7.539 -7.482 389 HE2 PHE 51 HE2 PHE 51 -7.745 -9.683 -7.497 390 HZ PHE 51 HZ PHE 51 -9.893 -9.081 -6.378 391 HA PRO 52 HA PRO 52 -6.402 -6.472 -9.904 392 1HB PRO 52 HB2 PRO 52 -4.113 -7.658 -10.460 393 2HB PRO 52 HB3 PRO 52 -5.448 -7.871 -11.626 394 1HG PRO 52 HG2 PRO 52 -3.119 -5.931 -11.802 395 2HG PRO 52 HG3 PRO 52 -3.739 -7.022 -13.071 396 1HD PRO 52 HD2 PRO 52 -4.487 -4.314 -12.760 397 2HD PRO 52 HD3 PRO 52 -5.442 -5.546 -13.617 398 H SER 53 H SER 53 -4.426 -3.655 -10.701 399 HA SER 53 HA SER 53 -2.470 -4.316 -8.744 400 1HB SER 53 HB2 SER 53 -1.621 -1.991 -9.763 401 2HB SER 53 HB3 SER 53 -1.584 -3.500 -10.693 402 HG SER 53 HG SER 53 -2.571 -1.811 -11.875 403 H PHE 54 H PHE 54 -1.434 -3.059 -7.288 404 HA PHE 54 HA PHE 54 -3.049 -1.423 -5.474 405 1HB PHE 54 HB2 PHE 54 -0.044 -2.002 -5.704 406 2HB PHE 54 HB3 PHE 54 -0.725 -0.905 -4.525 407 HD1 PHE 54 HD1 PHE 54 -2.912 -2.027 -3.223 408 HD2 PHE 54 HD2 PHE 54 0.745 -3.920 -4.521 409 HE1 PHE 54 HE1 PHE 54 -3.143 -3.725 -1.426 410 HE2 PHE 54 HE2 PHE 54 0.544 -5.550 -2.683 411 HZ PHE 54 HZ PHE 54 -1.377 -5.445 -1.111 412 H GLU 55 H GLU 55 -3.371 0.725 -5.904 413 HA GLU 55 HA GLU 55 -1.796 1.947 -8.080 414 1HB GLU 55 HB2 GLU 55 -4.408 3.073 -7.231 415 2HB GLU 55 HB3 GLU 55 -3.584 2.892 -8.810 416 1HG GLU 55 HG2 GLU 55 -4.203 0.546 -8.967 417 2HG GLU 55 HG3 GLU 55 -4.969 0.589 -7.382 418 HE1 GLU 55 HE GLU 55 -6.832 2.523 -10.367 419 H VAL 56 H VAL 56 -0.692 3.880 -7.650 420 HA VAL 56 HA VAL 56 -0.868 5.000 -4.876 421 HB VAL 56 HB VAL 56 1.654 4.188 -6.314 422 1HG1 VAL 56 HG12 VAL 56 1.210 5.398 -3.539 423 2HG1 VAL 56 HG13 VAL 56 2.761 4.785 -4.145 424 3HG1 VAL 56 HG11 VAL 56 2.023 6.193 -4.903 425 1HG2 VAL 56 HG22 VAL 56 0.246 2.989 -3.893 426 2HG2 VAL 56 HG23 VAL 56 0.573 2.184 -5.444 427 3HG2 VAL 56 HG21 VAL 56 1.907 2.598 -4.362 428 H HIS 57 H HIS 57 -2.086 6.532 -5.832 429 HA HIS 57 HA HIS 57 -2.734 8.340 -6.861 430 1HB HIS 57 HB2 HIS 57 -1.940 10.232 -5.940 431 2HB HIS 57 HB3 HIS 57 -1.319 9.015 -4.829 432 HD1 HIS 57 HD1 HIS 57 -0.293 11.993 -6.668 433 HD2 HIS 57 HD2 HIS 57 1.480 8.489 -5.132 434 HE1 HIS 57 HE1 HIS 57 2.201 12.501 -6.378 435 HE2 HIS 57 HE2 HIS 57 3.269 10.405 -5.439 436 H ASP 58 H ASP 58 0.700 8.400 -7.839 437 HA ASP 58 HA ASP 58 -0.153 9.555 -10.456 438 1HB ASP 58 HB2 ASP 58 1.609 10.666 -8.974 439 2HB ASP 58 HB3 ASP 58 2.701 9.368 -9.466 440 HD1 ASP 58 HD ASP 58 2.143 9.178 -12.221 441 H LYS 59 H LYS 59 1.045 6.630 -8.968 442 HA LYS 59 HA LYS 59 1.567 5.385 -11.641 443 1HB LYS 59 HB2 LYS 59 3.116 4.905 -9.084 444 2HB LYS 59 HB3 LYS 59 3.510 4.254 -10.686 445 1HG LYS 59 HG2 LYS 59 3.761 7.141 -9.778 446 2HG LYS 59 HG3 LYS 59 5.070 5.975 -9.998 447 1HD LYS 59 HD2 LYS 59 4.770 5.860 -12.366 448 2HD LYS 59 HD3 LYS 59 3.305 6.857 -12.306 449 1HE LYS 59 HE2 LYS 59 4.644 8.720 -11.300 450 2HE LYS 59 HE3 LYS 59 6.099 7.725 -11.442 451 1HZ LYS 59 HZ3 LYS 59 4.383 8.491 -13.718 452 2HZ LYS 59 HZ1 LYS 59 5.741 9.308 -13.268 453 3HZ LYS 59 HZ2 LYS 59 5.869 7.750 -13.769 454 H LYS 60 H LYS 60 1.997 2.864 -10.905 455 HA LYS 60 HA LYS 60 0.171 2.000 -8.802 456 1HB LYS 60 HB2 LYS 60 0.069 0.787 -11.596 457 2HB LYS 60 HB3 LYS 60 -0.936 0.369 -10.198 458 1HG LYS 60 HG2 LYS 60 -1.836 2.779 -10.324 459 2HG LYS 60 HG3 LYS 60 -1.010 2.909 -11.884 460 1HD LYS 60 HD2 LYS 60 -2.295 0.929 -12.709 461 2HD LYS 60 HD3 LYS 60 -3.142 0.852 -11.149 462 1HE LYS 60 HE2 LYS 60 -3.947 3.217 -11.534 463 2HE LYS 60 HE3 LYS 60 -3.205 3.163 -13.146 464 1HZ LYS 60 HZ2 LYS 60 -4.638 1.273 -13.618 465 2HZ LYS 60 HZ3 LYS 60 -5.337 1.425 -12.127 466 3HZ LYS 60 HZ1 LYS 60 -5.502 2.626 -13.238 467 H ASN 61 H ASN 61 1.026 0.294 -7.759 468 HA ASN 61 HA ASN 61 2.815 -0.871 -6.897 469 1HB ASN 61 HB2 ASN 61 2.946 -1.719 -9.828 470 2HB ASN 61 HB3 ASN 61 3.886 -2.468 -8.563 471 1HD2 ASN 61 HD22 ASN 61 -0.052 -3.325 -8.434 472 2HD2 ASN 61 HD21 ASN 61 0.237 -1.553 -8.432 473 HA PRO 62 HA PRO 62 6.037 1.899 -9.040 474 1HB PRO 62 HB2 PRO 62 6.301 4.108 -7.461 475 2HB PRO 62 HB3 PRO 62 5.079 3.972 -8.745 476 1HG PRO 62 HG2 PRO 62 4.732 3.358 -5.777 477 2HG PRO 62 HG3 PRO 62 3.755 4.473 -6.769 478 1HD PRO 62 HD2 PRO 62 2.975 1.869 -6.328 479 2HD PRO 62 HD3 PRO 62 2.759 2.649 -7.921 480 H THR 63 H THR 63 8.112 2.344 -8.311 481 HA THR 63 HA THR 63 9.111 0.819 -6.029 482 HB THR 63 HB THR 63 10.409 2.762 -7.987 483 HG1 THR 63 HG1 THR 63 10.093 1.283 -9.419 484 1HG2 THR 63 HG22 THR 63 11.787 2.162 -5.985 485 2HG2 THR 63 HG23 THR 63 11.611 0.451 -6.490 486 3HG2 THR 63 HG21 THR 63 12.469 1.628 -7.535 487 H LEU 64 H LEU 64 9.291 1.813 -3.954 488 HA LEU 64 HA LEU 64 8.713 4.733 -3.737 489 1HB LEU 64 HB2 LEU 64 8.553 2.354 -1.903 490 2HB LEU 64 HB3 LEU 64 8.792 3.958 -1.220 491 HG LEU 64 HG LEU 64 6.776 4.792 -2.112 492 1HD1 LEU 64 HD12 LEU 64 6.501 2.166 -3.602 493 2HD1 LEU 64 HD13 LEU 64 5.170 3.320 -3.382 494 3HD1 LEU 64 HD11 LEU 64 6.606 3.793 -4.302 495 1HD2 LEU 64 HD23 LEU 64 6.649 3.466 -0.029 496 2HD2 LEU 64 HD21 LEU 64 5.148 3.349 -0.965 497 3HD2 LEU 64 HD22 LEU 64 6.304 2.003 -0.979 498 H GLU 65 H GLU 65 10.338 6.151 -3.402 499 HA GLU 65 HA GLU 65 12.915 5.178 -2.188 500 1HB GLU 65 HB2 GLU 65 12.333 7.446 -4.095 501 2HB GLU 65 HB3 GLU 65 13.782 7.426 -3.069 502 1HG GLU 65 HG2 GLU 65 14.405 5.208 -3.975 503 2HG GLU 65 HG3 GLU 65 13.000 5.231 -5.031 504 HE1 GLU 65 HE GLU 65 13.202 7.976 -5.888 505 H ILE 66 H ILE 66 13.095 5.608 -0.124 506 HA ILE 66 HA ILE 66 11.445 7.767 1.095 507 HB ILE 66 HB ILE 66 12.218 4.981 1.905 508 1HG1 ILE 66 HG12 ILE 66 9.582 6.407 1.337 509 2HG1 ILE 66 HG13 ILE 66 10.346 5.113 0.407 510 1HG2 ILE 66 HG21 ILE 66 10.884 7.114 3.638 511 2HG2 ILE 66 HG22 ILE 66 11.040 5.400 4.071 512 3HG2 ILE 66 HG23 ILE 66 12.480 6.386 3.928 513 1HD1 ILE 66 HD13 ILE 66 10.106 3.639 2.474 514 2HD1 ILE 66 HD11 ILE 66 9.024 4.897 3.110 515 3HD1 ILE 66 HD12 ILE 66 8.615 4.074 1.604 516 HA PRO 67 HA PRO 67 15.364 9.308 2.760 517 1HB PRO 67 HB2 PRO 67 13.535 10.748 4.658 518 2HB PRO 67 HB3 PRO 67 14.894 11.385 3.704 519 1HG PRO 67 HG2 PRO 67 12.307 11.840 2.969 520 2HG PRO 67 HG3 PRO 67 13.555 11.478 1.735 521 1HD PRO 67 HD2 PRO 67 11.517 9.593 2.934 522 2HD PRO 67 HD3 PRO 67 12.021 9.823 1.228 523 H ALA 68 H ALA 68 16.346 7.716 3.956 524 HA ALA 68 HA ALA 68 15.330 6.075 5.949 525 1HB ALA 68 HB1 ALA 68 17.575 5.789 4.938 526 2HB ALA 68 HB2 ALA 68 18.146 7.240 5.792 527 3HB ALA 68 HB3 ALA 68 17.671 5.794 6.709 528 H GLY 69 H GLY 69 14.764 6.223 8.040 529 1HA GLY 69 HA2 GLY 69 14.675 7.096 10.196 530 2HA GLY 69 HA3 GLY 69 15.541 8.550 9.695 531 H ALA 70 H ALA 70 13.209 8.221 7.301 532 HA ALA 70 HA ALA 70 11.466 10.179 8.481 533 1HB ALA 70 HB3 ALA 70 11.136 8.427 6.015 534 2HB ALA 70 HB1 ALA 70 10.123 9.813 6.454 535 3HB ALA 70 HB2 ALA 70 11.825 10.073 6.062 536 H THR 71 H THR 71 9.083 9.863 8.498 537 HA THR 71 HA THR 71 8.313 7.421 10.007 538 HB THR 71 HB THR 71 7.014 10.181 9.848 539 HG1 THR 71 HG1 THR 71 9.081 10.054 10.923 540 1HG2 THR 71 HG21 THR 71 6.490 7.720 11.561 541 2HG2 THR 71 HG22 THR 71 5.797 9.329 11.880 542 3HG2 THR 71 HG23 THR 71 5.386 8.471 10.385 543 H VAL 72 H VAL 72 7.633 5.967 8.507 544 HA VAL 72 HA VAL 72 6.209 6.777 6.072 545 HB VAL 72 HB VAL 72 6.979 4.007 7.126 546 1HG1 VAL 72 HG13 VAL 72 6.031 5.001 4.385 547 2HG1 VAL 72 HG11 VAL 72 6.552 3.346 4.768 548 3HG1 VAL 72 HG12 VAL 72 5.080 4.001 5.496 549 1HG2 VAL 72 HG23 VAL 72 8.288 5.893 5.108 550 2HG2 VAL 72 HG21 VAL 72 8.977 5.391 6.654 551 3HG2 VAL 72 HG22 VAL 72 8.728 4.194 5.367 552 H ASP 73 H ASP 73 4.087 7.238 6.255 553 HA ASP 73 HA ASP 73 2.408 5.665 8.190 554 1HB ASP 73 HB2 ASP 73 2.169 8.484 7.158 555 2HB ASP 73 HB3 ASP 73 0.717 7.553 7.577 556 HD1 ASP 73 HD ASP 73 1.627 7.034 10.926 557 H VAL 74 H VAL 74 1.829 3.885 7.166 558 HA VAL 74 HA VAL 74 1.438 3.869 4.249 559 HB VAL 74 HB VAL 74 1.137 1.649 6.300 560 1HG1 VAL 74 HG11 VAL 74 1.296 1.581 3.246 561 2HG1 VAL 74 HG12 VAL 74 1.295 0.163 4.313 562 3HG1 VAL 74 HG13 VAL 74 -0.140 1.189 4.217 563 1HG2 VAL 74 HG23 VAL 74 3.428 2.483 4.462 564 2HG2 VAL 74 HG21 VAL 74 3.446 2.404 6.242 565 3HG2 VAL 74 HG22 VAL 74 3.352 0.921 5.285 566 H THR 75 H THR 75 -0.265 5.117 3.821 567 HA THR 75 HA THR 75 -2.777 4.935 5.309 568 HB THR 75 HB THR 75 -1.910 6.777 3.071 569 HG1 THR 75 HG1 THR 75 -0.661 6.957 4.942 570 1HG2 THR 75 HG22 THR 75 -4.245 6.935 5.029 571 2HG2 THR 75 HG23 THR 75 -3.778 8.178 3.850 572 3HG2 THR 75 HG21 THR 75 -4.378 6.615 3.291 573 H PHE 76 H PHE 76 -3.886 3.045 4.627 574 HA PHE 76 HA PHE 76 -3.940 2.403 1.732 575 1HB PHE 76 HB2 PHE 76 -5.275 1.200 4.157 576 2HB PHE 76 HB3 PHE 76 -5.990 0.881 2.631 577 HD1 PHE 76 HD2 PHE 76 -3.602 0.523 0.832 578 HD2 PHE 76 HD1 PHE 76 -4.995 -1.169 4.539 579 HE1 PHE 76 HE2 PHE 76 -3.384 -1.689 -0.116 580 HE2 PHE 76 HE1 PHE 76 -4.751 -3.434 3.567 581 HZ PHE 76 HZ PHE 76 -4.092 -3.683 1.188 582 H ILE 77 H ILE 77 -5.700 2.336 0.490 583 HA ILE 77 HA ILE 77 -8.355 3.079 1.472 584 HB ILE 77 HB ILE 77 -7.195 4.351 -1.053 585 1HG1 ILE 77 HG12 ILE 77 -8.642 6.270 0.287 586 2HG1 ILE 77 HG13 ILE 77 -8.089 5.344 1.657 587 1HG2 ILE 77 HG23 ILE 77 -9.472 3.336 -1.453 588 2HG2 ILE 77 HG21 ILE 77 -10.051 4.198 -0.013 589 3HG2 ILE 77 HG22 ILE 77 -9.520 5.083 -1.458 590 1HD1 ILE 77 HD12 ILE 77 -5.702 5.571 0.733 591 2HD1 ILE 77 HD13 ILE 77 -6.374 6.610 -0.544 592 3HD1 ILE 77 HD11 ILE 77 -6.454 7.117 1.151 593 H ASN 78 H ASN 78 -8.588 0.816 1.552 594 HA ASN 78 HA ASN 78 -8.506 -0.506 -1.130 595 1HB ASN 78 HB2 ASN 78 -6.911 -1.799 0.037 596 2HB ASN 78 HB3 ASN 78 -7.862 -2.000 1.465 597 1HD2 ASN 78 HD22 ASN 78 -9.178 -4.983 -0.095 598 2HD2 ASN 78 HD21 ASN 78 -8.232 -4.341 1.243 599 H THR 79 H THR 79 -10.461 -0.558 -1.848 600 HA THR 79 HA THR 79 -12.700 -1.375 -0.118 601 HB THR 79 HB THR 79 -12.695 1.255 -1.662 602 HG1 THR 79 HG1 THR 79 -11.923 0.618 0.754 603 1HG2 THR 79 HG23 THR 79 -14.931 -0.133 -0.138 604 2HG2 THR 79 HG21 THR 79 -14.935 1.584 -0.595 605 3HG2 THR 79 HG22 THR 79 -14.968 0.352 -1.844 606 H ASN 80 H ASN 80 -11.034 -2.732 -1.921 607 HA ASN 80 HA ASN 80 -12.469 -2.908 -4.443 608 1HB ASN 80 HB2 ASN 80 -9.998 -3.320 -4.195 609 2HB ASN 80 HB3 ASN 80 -10.384 -4.767 -3.253 610 1HD2 ASN 80 HD21 ASN 80 -11.656 -4.671 -7.212 611 2HD2 ASN 80 HD22 ASN 80 -11.403 -3.173 -6.316 612 H LYS 81 H LYS 81 -14.433 -3.094 -3.263 613 HA LYS 81 HA LYS 81 -15.887 -4.288 -1.737 614 1HB LYS 81 HB2 LYS 81 -16.429 -5.255 -4.567 615 2HB LYS 81 HB3 LYS 81 -17.591 -4.899 -3.280 616 1HG LYS 81 HG2 LYS 81 -16.748 -2.466 -3.399 617 2HG LYS 81 HG3 LYS 81 -15.851 -2.950 -4.855 618 1HD LYS 81 HD2 LYS 81 -18.021 -3.815 -5.832 619 2HD LYS 81 HD3 LYS 81 -18.873 -3.057 -4.479 620 1HE LYS 81 HE2 LYS 81 -17.105 -1.633 -6.532 621 2HE LYS 81 HE3 LYS 81 -18.876 -1.620 -6.489 622 1HZ LYS 81 HZ1 LYS 81 -18.781 -0.549 -4.375 623 2HZ LYS 81 HZ2 LYS 81 -17.130 -0.536 -4.396 624 3HZ LYS 81 HZ3 LYS 81 -17.975 0.341 -5.508 625 H GLY 82 H GLY 82 -15.060 -5.898 -0.364 626 1HA GLY 82 HA2 GLY 82 -15.390 -8.096 0.363 627 2HA GLY 82 HA3 GLY 82 -15.478 -8.686 -1.294 628 H PHE 83 H PHE 83 -12.921 -7.363 -2.150 629 HA PHE 83 HA PHE 83 -11.153 -9.504 -1.209 630 1HB PHE 83 HB2 PHE 83 -10.730 -7.247 -3.167 631 2HB PHE 83 HB3 PHE 83 -9.553 -8.492 -2.799 632 HD1 PHE 83 HD1 PHE 83 -9.950 -10.877 -3.420 633 HD2 PHE 83 HD2 PHE 83 -12.713 -7.762 -4.556 634 HE1 PHE 83 HE1 PHE 83 -10.916 -12.359 -5.160 635 HE2 PHE 83 HE2 PHE 83 -13.686 -9.256 -6.271 636 HZ PHE 83 HZ PHE 83 -12.764 -11.543 -6.606 637 H GLY 84 H GLY 84 -10.783 -9.060 0.963 638 1HA GLY 84 HA2 GLY 84 -9.695 -6.682 2.127 639 2HA GLY 84 HA3 GLY 84 -9.582 -8.317 2.729 640 H HIS 85 H HIS 85 -8.164 -6.689 -0.179 641 HA HIS 85 HA HIS 85 -5.749 -8.066 -0.306 642 1HB HIS 85 HB2 HIS 85 -6.200 -5.112 -0.869 643 2HB HIS 85 HB3 HIS 85 -4.840 -6.068 -1.441 644 HD2 HIS 85 HD2 HIS 85 -8.354 -5.090 -2.284 645 HE1 HIS 85 HE1 HIS 85 -7.190 -7.779 -5.344 646 HE2 HIS 85 HE2 HIS 85 -8.982 -6.159 -4.597 647 H SER 86 H SER 86 -3.908 -8.142 0.938 648 HA SER 86 HA SER 86 -3.724 -6.269 3.221 649 1HB SER 86 HB2 SER 86 -2.389 -8.164 4.186 650 2HB SER 86 HB3 SER 86 -4.040 -8.618 3.779 651 HG SER 86 HG SER 86 -2.782 -10.203 2.982 652 H PHE 87 H PHE 87 -2.210 -4.650 2.980 653 HA PHE 87 HA PHE 87 -0.200 -4.968 0.856 654 1HB PHE 87 HB2 PHE 87 -1.397 -2.858 1.200 655 2HB PHE 87 HB3 PHE 87 -0.686 -2.674 2.786 656 HD1 PHE 87 HD1 PHE 87 1.825 -2.253 2.969 657 HD2 PHE 87 HD2 PHE 87 -0.289 -2.205 -0.795 658 HE1 PHE 87 HE1 PHE 87 3.554 -0.758 1.999 659 HE2 PHE 87 HE2 PHE 87 1.393 -0.652 -1.717 660 HZ PHE 87 HZ PHE 87 3.326 0.066 -0.330 661 H ASP 88 H ASP 88 1.224 -6.604 1.671 662 HA ASP 88 HA ASP 88 2.064 -6.554 4.530 663 1HB ASP 88 HB2 ASP 88 2.473 -8.717 2.440 664 2HB ASP 88 HB3 ASP 88 2.608 -8.864 4.200 665 HD2 ASP 88 HD ASP 88 -0.852 -9.067 2.289 666 H ILE 89 H ILE 89 4.252 -6.064 5.085 667 HA ILE 89 HA ILE 89 6.057 -5.504 2.790 668 HB ILE 89 HB ILE 89 6.074 -4.191 5.521 669 1HG1 ILE 89 HG12 ILE 89 5.049 -3.206 2.823 670 2HG1 ILE 89 HG13 ILE 89 4.068 -3.546 4.256 671 1HG2 ILE 89 HG21 ILE 89 7.640 -3.663 2.977 672 2HG2 ILE 89 HG22 ILE 89 7.698 -2.702 4.475 673 3HG2 ILE 89 HG23 ILE 89 8.293 -4.348 4.481 674 1HD1 ILE 89 HD11 ILE 89 5.390 -1.769 5.494 675 2HD1 ILE 89 HD12 ILE 89 6.067 -1.289 3.925 676 3HD1 ILE 89 HD13 ILE 89 4.326 -1.200 4.194 677 H THR 90 H THR 90 7.941 -6.527 2.630 678 HA THR 90 HA THR 90 9.329 -7.711 4.871 679 HB THR 90 HB THR 90 7.699 -9.388 4.705 680 HG1 THR 90 HG1 THR 90 9.342 -10.609 4.956 681 1HG2 THR 90 HG22 THR 90 8.127 -9.438 1.701 682 2HG2 THR 90 HG23 THR 90 7.264 -10.710 2.606 683 3HG2 THR 90 HG21 THR 90 6.636 -9.060 2.580 684 H LYS 91 H LYS 91 10.742 -9.557 2.995 685 HA LYS 91 HA LYS 91 12.028 -7.494 1.209 686 1HB LYS 91 HB2 LYS 91 13.453 -9.646 2.817 687 2HB LYS 91 HB3 LYS 91 14.195 -8.490 1.690 688 1HG LYS 91 HG2 LYS 91 13.187 -6.628 3.123 689 2HG LYS 91 HG3 LYS 91 12.828 -7.856 4.344 690 1HD LYS 91 HD2 LYS 91 15.584 -7.152 3.219 691 2HD LYS 91 HD3 LYS 91 14.941 -6.644 4.784 692 1HE LYS 91 HE2 LYS 91 14.767 -9.044 5.482 693 2HE LYS 91 HE3 LYS 91 15.504 -9.527 3.941 694 1HZ LYS 91 HZ3 LYS 91 16.761 -7.819 5.965 695 2HZ LYS 91 HZ1 LYS 91 17.106 -9.405 5.681 696 3HZ LYS 91 HZ2 LYS 91 17.434 -8.273 4.530 697 H LYS 92 H LYS 92 9.937 -9.043 0.360 698 HA LYS 92 HA LYS 92 10.921 -11.387 -1.086 699 1HB LYS 92 HB2 LYS 92 8.336 -9.790 -1.142 700 2HB LYS 92 HB3 LYS 92 8.624 -11.195 -2.178 701 1HG LYS 92 HG2 LYS 92 9.004 -11.405 0.822 702 2HG LYS 92 HG3 LYS 92 7.383 -11.502 0.127 703 1HD LYS 92 HD2 LYS 92 9.635 -13.286 -0.897 704 2HD LYS 92 HD3 LYS 92 8.719 -13.670 0.557 705 1HE LYS 92 HE2 LYS 92 6.593 -13.589 -0.704 706 2HE LYS 92 HE3 LYS 92 7.502 -13.299 -2.203 707 1HZ LYS 92 HZ3 LYS 92 7.828 -15.626 -0.435 708 2HZ LYS 92 HZ1 LYS 92 6.939 -15.614 -1.828 709 3HZ LYS 92 HZ2 LYS 92 8.573 -15.393 -1.887 710 H GLY 93 H GLY 93 12.652 -10.681 -2.393 711 1HA GLY 93 HA2 GLY 93 12.342 -8.460 -4.248 712 2HA GLY 93 HA3 GLY 93 13.605 -9.707 -4.290 713 HA PRO 94 HA PRO 94 10.127 -10.690 -7.423 714 1HB PRO 94 HB2 PRO 94 11.243 -9.718 -9.782 715 2HB PRO 94 HB3 PRO 94 10.103 -8.804 -8.770 716 1HG PRO 94 HG2 PRO 94 13.115 -8.641 -8.795 717 2HG PRO 94 HG3 PRO 94 11.928 -7.298 -8.789 718 1HD PRO 94 HD2 PRO 94 13.187 -8.154 -6.512 719 2HD PRO 94 HD3 PRO 94 11.484 -7.609 -6.479 720 HA PRO 95 HA PRO 95 9.744 -11.645 -9.665 721 1HB PRO 95 HB2 PRO 95 9.179 -14.133 -10.575 722 2HB PRO 95 HB3 PRO 95 10.395 -13.090 -11.371 723 1HG PRO 95 HG2 PRO 95 10.899 -15.292 -9.346 724 2HG PRO 95 HG3 PRO 95 11.703 -15.056 -10.925 725 1HD PRO 95 HD2 PRO 95 12.786 -14.154 -8.563 726 2HD PRO 95 HD3 PRO 95 12.985 -13.243 -10.085 727 H TYR 96 H TYR 96 7.673 -11.906 -8.779 728 HA TYR 96 HA TYR 96 7.513 -13.205 -6.152 729 1HB TYR 96 HB2 TYR 96 5.394 -11.759 -7.762 730 2HB TYR 96 HB3 TYR 96 5.242 -12.293 -6.099 731 HD1 TYR 96 HD2 TYR 96 6.492 -11.198 -4.293 732 HD2 TYR 96 HD1 TYR 96 6.799 -9.804 -8.360 733 HE1 TYR 96 HE2 TYR 96 7.847 -9.276 -3.544 734 HE2 TYR 96 HE1 TYR 96 8.353 -8.023 -7.618 735 HH TYR 96 HH TYR 96 9.476 -7.814 -4.264 736 H ALA 97 H ALA 97 5.945 -14.809 -5.673 737 HA ALA 97 HA ALA 97 5.516 -16.717 -7.921 738 1HB ALA 97 HB1 ALA 97 6.911 -17.535 -6.059 739 2HB ALA 97 HB2 ALA 97 5.609 -17.159 -4.906 740 3HB ALA 97 HB3 ALA 97 5.370 -18.411 -6.141 741 H VAL 98 H VAL 98 3.523 -17.657 -8.222 742 HA VAL 98 HA VAL 98 1.164 -16.187 -7.520 743 HB VAL 98 HB VAL 98 1.737 -18.904 -8.736 744 1HG1 VAL 98 HG13 VAL 98 -1.029 -17.715 -8.259 745 2HG1 VAL 98 HG11 VAL 98 -0.671 -19.076 -9.336 746 3HG1 VAL 98 HG12 VAL 98 -0.399 -19.239 -7.601 747 1HG2 VAL 98 HG22 VAL 98 2.195 -16.898 -10.111 748 2HG2 VAL 98 HG23 VAL 98 0.861 -17.856 -10.775 749 3HG2 VAL 98 HG21 VAL 98 0.519 -16.360 -9.883 750 H MET 99 H MET 99 2.932 -18.866 -6.035 751 HA MET 99 HA MET 99 0.868 -19.477 -4.094 752 1HB MET 99 HB2 MET 99 3.809 -20.223 -4.119 753 2HB MET 99 HB3 MET 99 2.567 -20.838 -3.030 754 1HG MET 99 HG2 MET 99 2.746 -22.511 -4.656 755 2HG MET 99 HG3 MET 99 1.277 -21.636 -5.071 756 1HE MET 99 HE2 MET 99 4.938 -22.541 -6.014 757 2HE MET 99 HE3 MET 99 5.240 -21.532 -7.449 758 3HE MET 99 HE1 MET 99 5.098 -20.776 -5.847 759 HA PRO 100 HA PRO 100 2.262 -15.752 -1.913 760 1HB PRO 100 HB2 PRO 100 0.352 -15.513 -0.032 761 2HB PRO 100 HB3 PRO 100 -0.025 -15.327 -1.770 762 1HG PRO 100 HG2 PRO 100 -0.420 -17.781 -0.044 763 2HG PRO 100 HG3 PRO 100 -1.580 -17.020 -1.163 764 1HD PRO 100 HD2 PRO 100 0.052 -19.176 -1.833 765 2HD PRO 100 HD3 PRO 100 -0.511 -17.991 -3.036 766 H VAL 101 H VAL 101 4.170 -17.199 -1.402 767 HA VAL 101 HA VAL 101 4.137 -18.717 1.052 768 HB VAL 101 HB VAL 101 6.481 -17.654 -0.578 769 1HG1 VAL 101 HG11 VAL 101 6.382 -19.804 1.589 770 2HG1 VAL 101 HG12 VAL 101 7.788 -19.419 0.575 771 3HG1 VAL 101 HG13 VAL 101 7.187 -18.227 1.730 772 1HG2 VAL 101 HG23 VAL 101 5.107 -20.381 -0.558 773 2HG2 VAL 101 HG21 VAL 101 5.050 -19.197 -1.878 774 3HG2 VAL 101 HG22 VAL 101 6.580 -19.969 -1.460 775 H ILE 102 H ILE 102 3.725 -17.679 2.923 776 HA ILE 102 HA ILE 102 4.435 -14.896 3.301 777 HB ILE 102 HB ILE 102 3.587 -15.208 5.541 778 1HG1 ILE 102 HG12 ILE 102 2.438 -17.876 4.535 779 2HG1 ILE 102 HG13 ILE 102 3.800 -17.763 5.657 780 1HG2 ILE 102 HG23 ILE 102 2.312 -14.230 3.725 781 2HG2 ILE 102 HG21 ILE 102 1.692 -15.830 3.241 782 3HG2 ILE 102 HG22 ILE 102 1.220 -15.098 4.789 783 1HD1 ILE 102 HD11 ILE 102 2.330 -16.473 7.240 784 2HD1 ILE 102 HD12 ILE 102 0.955 -16.817 6.163 785 3HD1 ILE 102 HD13 ILE 102 1.819 -18.148 6.947 786 H ASP 103 H ASP 103 6.547 -15.111 2.929 787 HA ASP 103 HA ASP 103 8.421 -16.206 4.908 788 1HB ASP 103 HB2 ASP 103 8.762 -14.063 2.764 789 2HB ASP 103 HB3 ASP 103 10.084 -14.656 3.766 790 HD1 ASP 103 HD ASP 103 10.200 -17.819 2.252 791 HA PRO 104 HA PRO 104 7.903 -13.640 8.285 792 1HB PRO 104 HB2 PRO 104 10.652 -12.438 7.824 793 2HB PRO 104 HB3 PRO 104 9.884 -12.877 9.380 794 1HG PRO 104 HG2 PRO 104 11.561 -14.641 8.209 795 2HG PRO 104 HG3 PRO 104 9.988 -15.225 8.830 796 1HD PRO 104 HD2 PRO 104 10.764 -14.611 5.985 797 2HD PRO 104 HD3 PRO 104 9.784 -15.961 6.628 798 H ILE 105 H ILE 105 6.301 -12.171 8.045 799 HA ILE 105 HA ILE 105 6.608 -9.752 6.423 800 HB ILE 105 HB ILE 105 4.376 -10.750 8.207 801 1HG1 ILE 105 HG12 ILE 105 4.523 -12.139 6.250 802 2HG1 ILE 105 HG13 ILE 105 3.166 -11.036 6.039 803 1HG2 ILE 105 HG21 ILE 105 4.490 -8.289 6.423 804 2HG2 ILE 105 HG22 ILE 105 3.008 -8.956 7.134 805 3HG2 ILE 105 HG23 ILE 105 4.282 -8.327 8.181 806 1HD1 ILE 105 HD11 ILE 105 4.795 -9.566 4.625 807 2HD1 ILE 105 HD12 ILE 105 5.875 -10.975 4.672 808 3HD1 ILE 105 HD13 ILE 105 4.279 -11.120 3.938 809 H VAL 106 H VAL 106 7.439 -7.923 7.116 810 HA VAL 106 HA VAL 106 8.307 -7.745 9.954 811 HB VAL 106 HB VAL 106 8.952 -6.062 7.482 812 1HG1 VAL 106 HG11 VAL 106 10.072 -5.928 10.322 813 2HG1 VAL 106 HG12 VAL 106 10.706 -5.046 8.916 814 3HG1 VAL 106 HG13 VAL 106 9.094 -4.672 9.534 815 1HG2 VAL 106 HG23 VAL 106 10.605 -8.095 9.033 816 2HG2 VAL 106 HG21 VAL 106 9.951 -8.310 7.396 817 3HG2 VAL 106 HG22 VAL 106 11.186 -7.081 7.696 818 H ALA 107 H ALA 107 7.075 -5.341 7.665 819 HA ALA 107 HA ALA 107 5.042 -4.433 9.674 820 1HB ALA 107 HB2 ALA 107 6.344 -2.873 7.381 821 2HB ALA 107 HB3 ALA 107 5.027 -2.297 8.423 822 3HB ALA 107 HB1 ALA 107 6.624 -2.614 9.110 823 H GLY 108 H GLY 108 2.914 -3.787 8.581 824 1HA GLY 108 HA2 GLY 108 2.316 -4.355 5.963 825 2HA GLY 108 HA3 GLY 108 2.120 -5.919 6.805 826 H THR 109 H THR 109 -0.050 -4.493 5.617 827 HA THR 109 HA THR 109 -1.473 -3.195 7.801 828 HB THR 109 HB THR 109 -3.346 -3.123 6.230 829 HG1 THR 109 HG1 THR 109 -3.131 -5.022 5.087 830 1HG2 THR 109 HG21 THR 109 -1.604 -1.424 6.191 831 2HG2 THR 109 HG22 THR 109 -0.690 -2.366 4.982 832 3HG2 THR 109 HG23 THR 109 -2.257 -1.685 4.569 833 H GLY 110 H GLY 110 -1.656 -6.318 6.103 834 1HA GLY 110 HA2 GLY 110 -2.420 -8.390 7.089 835 2HA GLY 110 HA3 GLY 110 -3.236 -7.454 8.368 836 H PHE 111 H PHE 111 -5.253 -8.793 7.346 837 HA PHE 111 HA PHE 111 -5.962 -7.897 4.606 838 1HB PHE 111 HB2 PHE 111 -7.529 -9.817 6.294 839 2HB PHE 111 HB3 PHE 111 -7.704 -9.476 4.597 840 HD1 PHE 111 HD2 PHE 111 -5.368 -11.051 7.068 841 HD2 PHE 111 HD1 PHE 111 -6.306 -10.495 2.896 842 HE1 PHE 111 HE2 PHE 111 -3.458 -12.501 6.435 843 HE2 PHE 111 HE1 PHE 111 -4.424 -11.980 2.280 844 HZ PHE 111 HZ PHE 111 -2.948 -12.928 4.029 845 H SER 112 H SER 112 -7.464 -6.439 4.071 846 HA SER 112 HA SER 112 -8.224 -4.615 6.183 847 1HB SER 112 HB2 SER 112 -8.810 -3.286 3.946 848 2HB SER 112 HB3 SER 112 -7.115 -3.605 4.349 849 HG SER 112 HG SER 112 -6.915 -4.979 2.791 850 HA PRO 113 HA PRO 113 -12.681 -5.143 5.776 851 1HB PRO 113 HB2 PRO 113 -13.569 -2.747 6.709 852 2HB PRO 113 HB3 PRO 113 -12.772 -3.921 7.797 853 1HG PRO 113 HG2 PRO 113 -11.519 -1.518 6.438 854 2HG PRO 113 HG3 PRO 113 -11.405 -1.974 8.153 855 1HD PRO 113 HD2 PRO 113 -9.493 -2.624 6.285 856 2HD PRO 113 HD3 PRO 113 -9.857 -3.704 7.671 857 H VAL 114 H VAL 114 -14.116 -4.598 4.023 858 HA VAL 114 HA VAL 114 -13.236 -2.451 2.137 859 HB VAL 114 HB VAL 114 -13.637 -4.228 0.329 860 1HG1 VAL 114 HG11 VAL 114 -11.466 -3.128 0.857 861 2HG1 VAL 114 HG12 VAL 114 -11.113 -4.428 2.012 862 3HG1 VAL 114 HG13 VAL 114 -11.326 -4.786 0.284 863 1HG2 VAL 114 HG22 VAL 114 -14.415 -6.102 1.816 864 2HG2 VAL 114 HG23 VAL 114 -12.915 -6.481 0.944 865 3HG2 VAL 114 HG21 VAL 114 -12.843 -6.083 2.647 866 HA PRO 115 HA PRO 115 -17.760 -1.981 2.539 867 1HB PRO 115 HB2 PRO 115 -16.777 0.547 1.197 868 2HB PRO 115 HB3 PRO 115 -18.100 0.367 2.386 869 1HG PRO 115 HG2 PRO 115 -15.671 1.257 3.218 870 2HG PRO 115 HG3 PRO 115 -16.494 -0.022 4.163 871 1HD PRO 115 HD2 PRO 115 -14.304 -0.353 2.094 872 2HD PRO 115 HD3 PRO 115 -14.441 -1.094 3.713 873 H LYS 116 H LYS 116 -19.386 -1.386 0.799 874 HA LYS 116 HA LYS 116 -18.451 -2.340 -1.857 875 1HB LYS 116 HB2 LYS 116 -21.149 -2.730 -0.522 876 2HB LYS 116 HB3 LYS 116 -20.664 -3.359 -2.111 877 1HG LYS 116 HG2 LYS 116 -18.780 -4.604 -0.975 878 2HG LYS 116 HG3 LYS 116 -19.459 -4.155 0.587 879 1HD LYS 116 HD2 LYS 116 -20.811 -5.804 -1.606 880 2HD LYS 116 HD3 LYS 116 -20.154 -6.424 -0.090 881 1HE LYS 116 HE2 LYS 116 -22.562 -4.565 -0.397 882 2HE LYS 116 HE3 LYS 116 -22.584 -6.274 0.047 883 1HZ LYS 116 HZ3 LYS 116 -21.366 -5.724 2.029 884 2HZ LYS 116 HZ1 LYS 116 -21.368 -4.125 1.631 885 3HZ LYS 116 HZ2 LYS 116 -22.787 -4.894 1.957 886 H ASP 117 H ASP 117 -19.431 0.401 -0.476 887 HA ASP 117 HA ASP 117 -19.502 1.903 -2.794 888 1HB ASP 117 HB2 ASP 117 -21.688 0.881 -3.401 889 2HB ASP 117 HB3 ASP 117 -22.339 1.309 -1.810 890 HD1 ASP 117 HD ASP 117 -21.572 4.416 -4.251 891 H GLY 118 H GLY 118 -19.902 4.139 -2.366 892 1HA GLY 118 HA2 GLY 118 -19.924 6.085 -1.217 893 2HA GLY 118 HA3 GLY 118 -20.882 5.309 0.039 894 H LYS 119 H LYS 119 -19.366 3.598 1.311 895 HA LYS 119 HA LYS 119 -17.522 5.343 2.735 896 1HB LYS 119 HB2 LYS 119 -18.154 2.429 3.292 897 2HB LYS 119 HB3 LYS 119 -17.451 3.608 4.399 898 1HG LYS 119 HG2 LYS 119 -20.316 3.536 3.337 899 2HG LYS 119 HG3 LYS 119 -19.758 3.194 4.977 900 1HD LYS 119 HD2 LYS 119 -18.918 5.575 5.132 901 2HD LYS 119 HD3 LYS 119 -19.683 5.885 3.552 902 1HE LYS 119 HE2 LYS 119 -21.886 5.236 4.483 903 2HE LYS 119 HE3 LYS 119 -21.135 4.951 6.066 904 1HZ LYS 119 HZ1 LYS 119 -20.504 7.252 6.110 905 2HZ LYS 119 HZ2 LYS 119 -21.203 7.518 4.641 906 3HZ LYS 119 HZ3 LYS 119 -22.135 7.101 5.933 907 H PHE 120 H PHE 120 -15.325 4.681 3.201 908 HA PHE 120 HA PHE 120 -14.017 2.984 1.125 909 1HB PHE 120 HB2 PHE 120 -13.745 5.876 1.742 910 2HB PHE 120 HB3 PHE 120 -12.245 5.073 1.387 911 HD1 PHE 120 HD1 PHE 120 -12.085 3.688 -0.807 912 HD2 PHE 120 HD2 PHE 120 -15.617 5.898 0.063 913 HE1 PHE 120 HE1 PHE 120 -12.645 3.713 -3.225 914 HE2 PHE 120 HE2 PHE 120 -16.272 5.825 -2.319 915 HZ PHE 120 HZ PHE 120 -14.707 4.888 -4.004 916 H GLY 121 H GLY 121 -13.055 1.429 2.183 917 1HA GLY 121 HA2 GLY 121 -12.274 1.429 4.955 918 2HA GLY 121 HA3 GLY 121 -11.851 0.234 3.720 919 H TYR 122 H TYR 122 -10.619 2.623 5.732 920 HA TYR 122 HA TYR 122 -8.135 2.792 4.138 921 1HB TYR 122 HB2 TYR 122 -7.660 4.986 4.792 922 2HB TYR 122 HB3 TYR 122 -9.315 5.011 4.238 923 HD1 TYR 122 HD1 TYR 122 -6.965 5.394 7.059 924 HD2 TYR 122 HD2 TYR 122 -11.075 5.566 5.833 925 HE1 TYR 122 HE1 TYR 122 -7.482 6.801 9.024 926 HE2 TYR 122 HE2 TYR 122 -11.605 6.985 7.818 927 HH TYR 122 HH TYR 122 -10.751 8.123 9.605 928 H THR 123 H THR 123 -6.226 3.317 5.628 929 HA THR 123 HA THR 123 -6.416 2.081 8.271 930 HB THR 123 HB THR 123 -4.625 0.846 6.160 931 HG1 THR 123 HG1 THR 123 -7.345 0.311 6.611 932 1HG2 THR 123 HG23 THR 123 -4.168 0.458 8.461 933 2HG2 THR 123 HG21 THR 123 -5.805 -0.240 8.646 934 3HG2 THR 123 HG22 THR 123 -4.588 -1.045 7.613 935 H ASP 124 H ASP 124 -4.476 2.625 9.453 936 HA ASP 124 HA ASP 124 -2.308 4.012 7.978 937 1HB ASP 124 HB2 ASP 124 -4.248 5.394 9.822 938 2HB ASP 124 HB3 ASP 124 -2.540 5.837 9.899 939 HD1 ASP 124 HD ASP 124 -2.300 7.051 6.652 940 H PHE 125 H PHE 125 -0.788 2.514 8.558 941 HA PHE 125 HA PHE 125 -0.265 2.352 11.505 942 1HB PHE 125 HB2 PHE 125 1.058 0.466 11.249 943 2HB PHE 125 HB3 PHE 125 -0.473 0.122 10.499 944 HD1 PHE 125 HD1 PHE 125 3.140 0.889 9.877 945 HD2 PHE 125 HD2 PHE 125 -0.557 -0.522 8.156 946 HE1 PHE 125 HE1 PHE 125 4.383 -0.070 7.973 947 HE2 PHE 125 HE2 PHE 125 0.756 -1.672 6.377 948 HZ PHE 125 HZ PHE 125 3.186 -1.498 6.309 949 H THR 126 H THR 126 1.853 2.903 12.147 950 HA THR 126 HA THR 126 3.314 4.677 10.259 951 HB THR 126 HB THR 126 3.346 4.644 13.301 952 HG1 THR 126 HG1 THR 126 1.343 5.319 12.388 953 1HG2 THR 126 HG23 THR 126 4.413 6.569 11.203 954 2HG2 THR 126 HG21 THR 126 4.389 6.894 12.952 955 3HG2 THR 126 HG22 THR 126 5.401 5.584 12.307 956 H TRP 127 H TRP 127 5.409 4.060 9.726 957 HA TRP 127 HA TRP 127 6.814 2.082 11.419 958 1HB TRP 127 HB2 TRP 127 5.801 0.802 9.623 959 2HB TRP 127 HB3 TRP 127 6.373 1.929 8.401 960 HD1 TRP 127 HD1 TRP 127 8.509 0.333 11.140 961 HE1 TRP 127 HE1 TRP 127 10.297 -1.187 10.109 962 HE3 TRP 127 HE3 TRP 127 7.178 0.768 6.250 963 HZ2 TRP 127 HZ2 TRP 127 11.027 -2.124 7.423 964 HZ3 TRP 127 HZ3 TRP 127 8.585 -0.243 4.472 965 HH2 TRP 127 HH2 TRP 127 10.334 -1.834 5.032 966 H HIS 128 H HIS 128 8.983 2.434 11.573 967 HA HIS 128 HA HIS 128 10.171 4.778 10.132 968 1HB HIS 128 HB2 HIS 128 10.791 3.608 12.867 969 2HB HIS 128 HB3 HIS 128 11.772 4.808 12.020 970 HD1 HIS 128 HD1 HIS 128 8.435 4.522 13.873 971 HD2 HIS 128 HD2 HIS 128 10.707 7.285 11.639 972 HE1 HIS 128 HE1 HIS 128 7.283 6.804 14.134 973 HE2 HIS 128 HE2 HIS 128 8.657 8.465 12.726 974 HA PRO 129 HA PRO 129 11.764 0.744 8.627 975 1HB PRO 129 HB2 PRO 129 12.431 1.326 6.138 976 2HB PRO 129 HB3 PRO 129 10.724 1.202 6.620 977 1HG PRO 129 HG2 PRO 129 12.301 3.780 6.423 978 2HG PRO 129 HG3 PRO 129 10.744 3.385 5.652 979 1HD PRO 129 HD2 PRO 129 10.862 4.680 8.040 980 2HD PRO 129 HD3 PRO 129 9.621 3.407 7.791 981 H THR 130 H THR 130 13.997 -0.003 8.511 982 HA THR 130 HA THR 130 16.107 1.937 9.038 983 HB THR 130 HB THR 130 17.389 -0.400 8.890 984 HG1 THR 130 HG1 THR 130 15.687 -1.565 7.917 985 1HG2 THR 130 HG21 THR 130 15.250 0.124 11.010 986 2HG2 THR 130 HG22 THR 130 16.640 -0.965 11.182 987 3HG2 THR 130 HG23 THR 130 16.902 0.783 11.016 988 H ALA 131 H ALA 131 18.150 1.864 7.637 989 HA ALA 131 HA ALA 131 17.359 2.549 5.013 990 1HB ALA 131 HB3 ALA 131 19.340 3.492 6.149 991 2HB ALA 131 HB1 ALA 131 20.176 1.933 5.949 992 3HB ALA 131 HB2 ALA 131 19.704 2.892 4.525 993 H GLY 132 H GLY 132 18.437 1.633 3.001 994 1HA GLY 132 HA2 GLY 132 19.334 -0.163 1.751 995 2HA GLY 132 HA3 GLY 132 18.775 -1.342 2.962 996 H THR 133 H THR 133 17.000 -2.508 2.125 997 HA THR 133 HA THR 133 14.937 -1.067 0.697 998 HB THR 133 HB THR 133 16.551 -3.221 -0.728 999 HG1 THR 133 HG1 THR 133 16.676 -0.466 -0.675 1000 1HG2 THR 133 HG22 THR 133 14.169 -1.559 -1.667 1001 2HG2 THR 133 HG23 THR 133 15.202 -2.542 -2.720 1002 3HG2 THR 133 HG21 THR 133 14.226 -3.326 -1.474 1003 H TYR 134 H TYR 134 13.009 -2.109 0.618 1004 HA TYR 134 HA TYR 134 12.738 -4.901 1.568 1005 1HB TYR 134 HB2 TYR 134 10.815 -2.726 2.460 1006 2HB TYR 134 HB3 TYR 134 10.970 -4.345 3.086 1007 HD1 TYR 134 HD1 TYR 134 12.371 -0.953 3.085 1008 HD2 TYR 134 HD2 TYR 134 12.706 -4.917 4.746 1009 HE1 TYR 134 HE1 TYR 134 14.173 -0.185 4.529 1010 HE2 TYR 134 HE2 TYR 134 14.541 -4.135 6.221 1011 HH TYR 134 HH TYR 134 16.065 -0.961 5.771 1012 H TYR 135 H TYR 135 10.113 -5.279 1.167 1013 HA TYR 135 HA TYR 135 9.296 -4.051 -1.359 1014 1HB TYR 135 HB2 TYR 135 9.730 -7.032 -0.972 1015 2HB TYR 135 HB3 TYR 135 8.839 -6.323 -2.312 1016 HD1 TYR 135 HD2 TYR 135 12.220 -6.734 -0.825 1017 HD2 TYR 135 HD1 TYR 135 9.961 -5.273 -4.182 1018 HE1 TYR 135 HE2 TYR 135 14.303 -6.560 -2.131 1019 HE2 TYR 135 HE1 TYR 135 12.037 -5.257 -5.546 1020 HH TYR 135 HH TYR 135 15.230 -6.060 -4.190 1021 H TYR 136 H TYR 136 7.081 -4.094 -1.645 1022 HA TYR 136 HA TYR 136 5.460 -5.115 0.636 1023 1HB TYR 136 HB2 TYR 136 3.719 -3.592 -0.016 1024 2HB TYR 136 HB3 TYR 136 5.189 -2.745 0.427 1025 HD1 TYR 136 HD1 TYR 136 6.528 -1.544 -1.259 1026 HD2 TYR 136 HD2 TYR 136 2.804 -3.443 -2.298 1027 HE1 TYR 136 HE1 TYR 136 6.271 0.004 -3.159 1028 HE2 TYR 136 HE2 TYR 136 2.537 -1.856 -4.198 1029 HH TYR 136 HH TYR 136 5.014 0.530 -5.044 1030 H VAL 137 H VAL 137 3.773 -6.506 0.158 1031 HA VAL 137 HA VAL 137 3.187 -7.281 -2.622 1032 HB VAL 137 HB VAL 137 3.504 -9.684 -2.021 1033 1HG1 VAL 137 HG11 VAL 137 5.178 -8.546 -3.390 1034 2HG1 VAL 137 HG12 VAL 137 6.108 -8.118 -1.929 1035 3HG1 VAL 137 HG13 VAL 137 5.869 -9.817 -2.365 1036 1HG2 VAL 137 HG23 VAL 137 5.085 -8.588 0.368 1037 2HG2 VAL 137 HG21 VAL 137 3.570 -9.514 0.451 1038 3HG2 VAL 137 HG22 VAL 137 5.045 -10.272 -0.162 1039 H CYS 138 H CYS 138 1.202 -8.277 -2.810 1040 HA CYS 138 HA CYS 138 -0.594 -8.367 -0.448 1041 1HB CYS 138 HB2 CYS 138 -1.370 -7.264 -2.512 1042 2HB CYS 138 HB3 CYS 138 -1.112 -8.767 -3.382 1043 H GLN 139 H GLN 139 -0.141 -10.255 0.726 1044 HA GLN 139 HA GLN 139 0.543 -12.727 -0.592 1045 1HB GLN 139 HB2 GLN 139 -0.198 -12.053 2.276 1046 2HB GLN 139 HB3 GLN 139 0.364 -13.642 1.780 1047 1HG GLN 139 HG2 GLN 139 1.933 -11.047 1.454 1048 2HG GLN 139 HG3 GLN 139 2.190 -12.249 2.710 1049 1HE2 GLN 139 HE21 GLN 139 3.791 -14.615 0.476 1050 2HE2 GLN 139 HE22 GLN 139 2.532 -14.652 1.690 1051 H ILE 140 H ILE 140 -1.921 -11.925 -1.698 1052 HA ILE 140 HA ILE 140 -3.803 -14.043 -0.759 1053 HB ILE 140 HB ILE 140 -4.228 -11.640 -2.559 1054 1HG1 ILE 140 HG12 ILE 140 -5.326 -12.507 0.151 1055 2HG1 ILE 140 HG13 ILE 140 -4.288 -11.112 -0.179 1056 1HG2 ILE 140 HG21 ILE 140 -5.431 -13.643 -3.469 1057 2HG2 ILE 140 HG22 ILE 140 -6.224 -13.840 -1.884 1058 3HG2 ILE 140 HG23 ILE 140 -6.532 -12.412 -2.879 1059 1HD1 ILE 140 HD11 ILE 140 -6.201 -10.151 -1.559 1060 2HD1 ILE 140 HD12 ILE 140 -7.213 -11.474 -0.937 1061 3HD1 ILE 140 HD13 ILE 140 -6.507 -10.310 0.184 1062 HA PRO 141 HA PRO 141 -1.855 -16.519 -3.871 1063 1HB PRO 141 HB2 PRO 141 -4.682 -17.200 -4.734 1064 2HB PRO 141 HB3 PRO 141 -3.280 -18.303 -4.593 1065 1HG PRO 141 HG2 PRO 141 -5.097 -18.194 -2.588 1066 2HG PRO 141 HG3 PRO 141 -3.356 -18.186 -2.194 1067 1HD PRO 141 HD2 PRO 141 -5.273 -15.864 -2.284 1068 2HD PRO 141 HD3 PRO 141 -3.984 -16.216 -1.096 1069 H GLY 142 H GLY 142 -1.053 -16.175 -5.899 1070 1HA GLY 142 HA2 GLY 142 -0.916 -15.428 -8.082 1071 2HA GLY 142 HA3 GLY 142 -2.610 -14.953 -8.033 1072 H HIS 143 H HIS 143 -2.710 -13.148 -6.034 1073 HA HIS 143 HA HIS 143 -2.378 -10.784 -7.279 1074 1HB HIS 143 HB2 HIS 143 -2.295 -11.260 -4.316 1075 2HB HIS 143 HB3 HIS 143 -2.404 -9.688 -5.096 1076 HD2 HIS 143 HD2 HIS 143 -4.525 -12.520 -6.695 1077 HE1 HIS 143 HE1 HIS 143 -7.198 -10.070 -4.511 1078 HE2 HIS 143 HE2 HIS 143 -6.993 -12.042 -6.107 1079 H ALA 144 H ALA 144 0.127 -11.840 -4.877 1080 HA ALA 144 HA ALA 144 1.849 -9.677 -5.179 1081 1HB ALA 144 HB3 ALA 144 2.198 -11.453 -3.528 1082 2HB ALA 144 HB1 ALA 144 2.724 -12.557 -4.826 1083 3HB ALA 144 HB2 ALA 144 3.657 -11.082 -4.473 1084 H ALA 145 H ALA 145 1.514 -12.509 -7.339 1085 HA ALA 145 HA ALA 145 3.724 -11.697 -9.106 1086 1HB ALA 145 HB3 ALA 145 3.225 -14.098 -8.777 1087 2HB ALA 145 HB1 ALA 145 1.603 -13.861 -9.447 1088 3HB ALA 145 HB2 ALA 145 3.027 -13.593 -10.461 1089 H THR 146 H THR 146 0.115 -11.746 -9.191 1090 HA THR 146 HA THR 146 0.117 -10.391 -11.774 1091 HB THR 146 HB THR 146 -2.290 -10.548 -11.632 1092 HG1 THR 146 HG1 THR 146 -2.414 -10.171 -9.394 1093 1HG2 THR 146 HG22 THR 146 -1.006 -12.567 -12.340 1094 2HG2 THR 146 HG23 THR 146 -1.005 -13.147 -10.659 1095 3HG2 THR 146 HG21 THR 146 -2.535 -12.974 -11.536 1096 H GLY 147 H GLY 147 1.526 -8.709 -10.578 1097 1HA GLY 147 HA2 GLY 147 1.793 -6.488 -10.223 1098 2HA GLY 147 HA3 GLY 147 0.193 -6.295 -10.931 1099 H MET 148 H MET 148 0.769 -7.882 -7.701 1100 HA MET 148 HA MET 148 -0.123 -5.310 -6.423 1101 1HB MET 148 HB2 MET 148 -0.666 -8.117 -5.443 1102 2HB MET 148 HB3 MET 148 -1.139 -6.588 -4.708 1103 1HG MET 148 HG3 MET 148 -2.247 -6.303 -7.188 1104 2HG MET 148 HG2 MET 148 -2.311 -8.043 -6.985 1105 1HE MET 148 HE1 MET 148 -3.636 -4.598 -6.076 1106 2HE MET 148 HE3 MET 148 -4.615 -4.840 -4.610 1107 3HE MET 148 HE2 MET 148 -2.841 -4.972 -4.528 1108 H PHE 149 H PHE 149 2.342 -4.983 -6.715 1109 HA PHE 149 HA PHE 149 3.522 -5.529 -4.140 1110 1HB PHE 149 HB2 PHE 149 5.389 -6.825 -4.914 1111 2HB PHE 149 HB3 PHE 149 3.978 -7.601 -5.577 1112 HD1 PHE 149 HD1 PHE 149 3.434 -7.400 -8.025 1113 HD2 PHE 149 HD2 PHE 149 7.043 -5.709 -6.375 1114 HE1 PHE 149 HE1 PHE 149 4.442 -7.315 -10.286 1115 HE2 PHE 149 HE2 PHE 149 7.956 -5.439 -8.650 1116 HZ PHE 149 HZ PHE 149 6.725 -6.346 -10.598 1117 H GLY 150 H GLY 150 5.990 -4.653 -4.258 1118 1HA GLY 150 HA2 GLY 150 7.041 -2.981 -6.252 1119 2HA GLY 150 HA3 GLY 150 6.047 -1.933 -5.259 1120 H LYS 151 H LYS 151 8.625 -1.350 -5.244 1121 HA LYS 151 HA LYS 151 10.050 -2.874 -3.123 1122 1HB LYS 151 HB2 LYS 151 11.413 -0.747 -4.693 1123 2HB LYS 151 HB3 LYS 151 12.017 -2.269 -4.052 1124 1HG LYS 151 HG2 LYS 151 10.626 -3.442 -5.867 1125 2HG LYS 151 HG3 LYS 151 10.352 -1.838 -6.566 1126 1HD LYS 151 HD2 LYS 151 12.854 -1.496 -6.646 1127 2HD LYS 151 HD3 LYS 151 13.072 -3.173 -6.151 1128 1HE LYS 151 HE2 LYS 151 11.579 -2.216 -8.647 1129 2HE LYS 151 HE3 LYS 151 13.233 -2.847 -8.620 1130 1HZ LYS 151 HZ2 LYS 151 12.381 -4.923 -7.825 1131 2HZ LYS 151 HZ3 LYS 151 10.833 -4.353 -7.845 1132 3HZ LYS 151 HZ1 LYS 151 11.671 -4.515 -9.254 1133 H ILE 152 H ILE 152 11.037 -1.712 -1.397 1134 HA ILE 152 HA ILE 152 10.224 1.133 -0.958 1135 HB ILE 152 HB ILE 152 10.559 -1.021 1.160 1136 1HG1 ILE 152 HG12 ILE 152 8.021 0.000 -0.131 1137 2HG1 ILE 152 HG13 ILE 152 8.621 -1.676 0.001 1138 1HG2 ILE 152 HG21 ILE 152 11.021 1.413 1.744 1139 2HG2 ILE 152 HG22 ILE 152 9.312 1.727 1.372 1140 3HG2 ILE 152 HG23 ILE 152 9.775 0.634 2.705 1141 1HD1 ILE 152 HD11 ILE 152 8.407 -1.502 2.481 1142 2HD1 ILE 152 HD12 ILE 152 7.549 0.045 2.249 1143 3HD1 ILE 152 HD13 ILE 152 6.872 -1.449 1.584 1144 H VAL 153 H VAL 153 12.207 1.958 -1.720 1145 HA VAL 153 HA VAL 153 14.747 0.882 -0.642 1146 HB VAL 153 HB VAL 153 14.247 3.237 -2.470 1147 1HG1 VAL 153 HG11 VAL 153 16.758 1.626 -1.752 1148 2HG1 VAL 153 HG12 VAL 153 16.679 2.822 -3.067 1149 3HG1 VAL 153 HG13 VAL 153 16.429 3.332 -1.394 1150 1HG2 VAL 153 HG23 VAL 153 14.944 0.347 -3.202 1151 2HG2 VAL 153 HG21 VAL 153 13.434 1.193 -3.611 1152 3HG2 VAL 153 HG22 VAL 153 14.959 1.715 -4.334 1153 H VAL 154 H VAL 154 15.760 1.881 1.066 1154 HA VAL 154 HA VAL 154 14.643 4.460 2.094 1155 HB VAL 154 HB VAL 154 15.489 2.015 3.686 1156 1HG1 VAL 154 HG12 VAL 154 15.797 4.185 4.853 1157 2HG1 VAL 154 HG13 VAL 154 14.111 4.620 4.497 1158 3HG1 VAL 154 HG11 VAL 154 14.479 3.261 5.578 1159 1HG2 VAL 154 HG22 VAL 154 12.701 3.048 3.032 1160 2HG2 VAL 154 HG23 VAL 154 13.402 1.478 2.558 1161 3HG2 VAL 154 HG21 VAL 154 13.099 1.836 4.251 1162 H LYS 155 H LYS 155 16.316 5.958 1.823 1163 HA LYS 155 HA LYS 155 18.984 5.250 2.842 1164 1HB LYS 155 HB2 LYS 155 18.673 6.089 -0.061 1165 2HB LYS 155 HB3 LYS 155 20.189 5.865 0.842 1166 1HG LYS 155 HG2 LYS 155 19.631 3.449 1.133 1167 2HG LYS 155 HG3 LYS 155 18.238 3.666 0.064 1168 1HD LYS 155 HD2 LYS 155 21.168 4.109 -0.663 1169 2HD LYS 155 HD3 LYS 155 20.153 2.737 -1.131 1170 1HE LYS 155 HE2 LYS 155 18.627 4.344 -2.350 1171 2HE LYS 155 HE3 LYS 155 19.785 5.642 -2.005 1172 1HZ LYS 155 HZ1 LYS 155 21.437 4.405 -3.191 1173 2HZ LYS 155 HZ2 LYS 155 20.359 3.203 -3.524 1174 3HZ LYS 155 HZ3 LYS 155 20.130 4.711 -4.147 No H/Q in entry = 1174 Start of MODEL 4 1 H GLY 1 H GLY 1 -4.397 -10.219 11.820 2 1HA GLY 1 HA2 GLY 1 -3.389 -12.016 13.623 3 2HA GLY 1 HA3 GLY 1 -1.983 -11.497 12.661 4 H THR 2 H THR 2 -1.314 -10.522 14.833 5 HA THR 2 HA THR 2 -2.627 -8.458 16.184 6 HB THR 2 HB THR 2 -0.074 -7.914 16.684 7 HG1 THR 2 HG1 THR 2 1.218 -9.718 16.106 8 1HG2 THR 2 HG21 THR 2 -1.335 -10.624 17.335 9 2HG2 THR 2 HG22 THR 2 0.025 -9.878 18.202 10 3HG2 THR 2 HG23 THR 2 -1.571 -9.114 18.241 11 H LEU 3 H LEU 3 -0.933 -8.404 13.144 12 HA LEU 3 HA LEU 3 -0.311 -5.723 12.687 13 1HB LEU 3 HB2 LEU 3 -1.470 -7.937 10.947 14 2HB LEU 3 HB3 LEU 3 -1.088 -6.346 10.302 15 HG LEU 3 HG LEU 3 1.245 -6.556 10.779 16 1HD1 LEU 3 HD13 LEU 3 0.625 -9.277 12.011 17 2HD1 LEU 3 HD11 LEU 3 2.241 -8.684 11.591 18 3HD1 LEU 3 HD12 LEU 3 1.316 -7.858 12.844 19 1HD2 LEU 3 HD23 LEU 3 0.303 -7.550 8.680 20 2HD2 LEU 3 HD21 LEU 3 1.772 -8.376 9.220 21 3HD2 LEU 3 HD22 LEU 3 0.183 -9.116 9.500 22 H ASP 4 H ASP 4 -3.490 -7.320 12.703 23 HA ASP 4 HA ASP 4 -5.059 -5.241 11.554 24 1HB ASP 4 HB2 ASP 4 -5.880 -7.460 11.633 25 2HB ASP 4 HB3 ASP 4 -5.765 -7.502 13.414 26 HD1 ASP 4 HD ASP 4 -8.515 -4.839 12.312 27 H THR 5 H THR 5 -4.604 -3.246 12.361 28 HA THR 5 HA THR 5 -5.357 -2.661 15.194 29 HB THR 5 HB THR 5 -3.440 -0.967 15.029 30 HG1 THR 5 HG1 THR 5 -2.590 -2.706 12.937 31 1HG2 THR 5 HG23 THR 5 -3.235 -3.046 16.349 32 2HG2 THR 5 HG21 THR 5 -2.684 -3.909 14.904 33 3HG2 THR 5 HG22 THR 5 -1.701 -2.597 15.576 34 H THR 6 H THR 6 -4.103 -0.318 12.930 35 HA THR 6 HA THR 6 -6.276 1.416 13.528 36 HB THR 6 HB THR 6 -4.128 1.886 11.428 37 HG1 THR 6 HG1 THR 6 -2.777 2.420 13.100 38 1HG2 THR 6 HG21 THR 6 -5.920 3.619 11.876 39 2HG2 THR 6 HG22 THR 6 -5.433 3.626 13.578 40 3HG2 THR 6 HG23 THR 6 -4.293 4.184 12.327 41 H TRP 7 H TRP 7 -7.801 -0.335 12.424 42 HA TRP 7 HA TRP 7 -8.231 0.091 9.517 43 1HB TRP 7 HB2 TRP 7 -9.475 -1.645 11.683 44 2HB TRP 7 HB3 TRP 7 -10.251 -1.396 10.136 45 HD1 TRP 7 HD1 TRP 7 -10.259 -3.795 9.546 46 HE1 TRP 7 HE1 TRP 7 -8.512 -5.460 8.583 47 HE3 TRP 7 HE3 TRP 7 -5.925 -1.306 10.750 48 HZ2 TRP 7 HZ2 TRP 7 -5.694 -5.712 8.531 49 HZ3 TRP 7 HZ3 TRP 7 -3.766 -2.345 10.377 50 HH2 TRP 7 HH2 TRP 7 -3.645 -4.596 9.376 51 H LYS 8 H LYS 8 -9.754 1.603 8.749 52 HA LYS 8 HA LYS 8 -12.012 2.427 10.454 53 1HB LYS 8 HB2 LYS 8 -9.907 4.306 9.335 54 2HB LYS 8 HB3 LYS 8 -11.450 4.866 9.991 55 1HG LYS 8 HG2 LYS 8 -9.243 3.509 11.598 56 2HG LYS 8 HG3 LYS 8 -9.541 5.242 11.472 57 1HD LYS 8 HD2 LYS 8 -11.795 4.974 12.469 58 2HD LYS 8 HD3 LYS 8 -11.552 3.224 12.572 59 1HE LYS 8 HE2 LYS 8 -11.136 4.218 14.744 60 2HE LYS 8 HE3 LYS 8 -9.635 3.543 14.094 61 1HZ LYS 8 HZ2 LYS 8 -10.412 6.380 14.015 62 2HZ LYS 8 HZ3 LYS 8 -9.332 5.711 15.062 63 3HZ LYS 8 HZ1 LYS 8 -8.995 5.756 13.451 64 H GLU 9 H GLU 9 -13.311 4.148 8.977 65 HA GLU 9 HA GLU 9 -12.770 3.701 6.166 66 1HB GLU 9 HB2 GLU 9 -15.663 3.434 6.974 67 2HB GLU 9 HB3 GLU 9 -14.868 3.077 5.435 68 1HG GLU 9 HG2 GLU 9 -13.653 1.152 6.723 69 2HG GLU 9 HG3 GLU 9 -14.765 1.482 8.053 70 HE1 GLU 9 HE GLU 9 -17.518 0.483 5.863 71 H ALA 10 H ALA 10 -13.662 5.253 4.858 72 HA ALA 10 HA ALA 10 -14.722 7.753 6.074 73 1HB ALA 10 HB2 ALA 10 -12.244 7.854 5.394 74 2HB ALA 10 HB3 ALA 10 -12.771 7.548 3.724 75 3HB ALA 10 HB1 ALA 10 -13.307 9.008 4.615 76 H THR 11 H THR 11 -15.020 8.825 3.267 77 HA THR 11 HA THR 11 -16.701 6.807 1.950 78 HB THR 11 HB THR 11 -18.533 8.381 1.669 79 HG1 THR 11 HG1 THR 11 -18.448 10.341 2.951 80 1HG2 THR 11 HG23 THR 11 -18.627 6.905 3.672 81 2HG2 THR 11 HG21 THR 11 -17.889 8.198 4.641 82 3HG2 THR 11 HG22 THR 11 -19.477 8.438 3.900 83 H LEU 12 H LEU 12 -17.305 7.582 -0.286 84 HA LEU 12 HA LEU 12 -15.172 7.856 -1.811 85 1HB LEU 12 HB2 LEU 12 -17.372 7.389 -2.637 86 2HB LEU 12 HB3 LEU 12 -17.859 9.060 -2.546 87 HG LEU 12 HG LEU 12 -15.367 8.480 -4.123 88 1HD1 LEU 12 HD12 LEU 12 -18.167 7.780 -5.110 89 2HD1 LEU 12 HD13 LEU 12 -16.692 7.815 -6.101 90 3HD1 LEU 12 HD11 LEU 12 -16.848 6.629 -4.797 91 1HD2 LEU 12 HD22 LEU 12 -17.806 10.274 -4.564 92 2HD2 LEU 12 HD23 LEU 12 -16.205 10.805 -4.008 93 3HD2 LEU 12 HD21 LEU 12 -16.413 10.168 -5.645 94 HA PRO 13 HA PRO 13 -15.037 12.621 -2.294 95 1HB PRO 13 HB2 PRO 13 -16.080 13.517 0.394 96 2HB PRO 13 HB3 PRO 13 -16.228 14.332 -1.188 97 1HG PRO 13 HG2 PRO 13 -18.351 13.003 -0.146 98 2HG PRO 13 HG3 PRO 13 -17.948 12.798 -1.879 99 1HD PRO 13 HD2 PRO 13 -17.156 11.005 0.433 100 2HD PRO 13 HD3 PRO 13 -17.967 10.551 -1.081 101 H GLN 14 H GLN 14 -14.635 10.985 0.845 102 HA GLN 14 HA GLN 14 -12.421 12.600 1.728 103 1HB GLN 14 HB2 GLN 14 -13.164 9.815 2.605 104 2HB GLN 14 HB3 GLN 14 -12.183 10.996 3.483 105 1HG GLN 14 HG2 GLN 14 -15.175 11.175 2.903 106 2HG GLN 14 HG3 GLN 14 -14.399 11.043 4.481 107 1HE2 GLN 14 HE21 GLN 14 -13.272 14.522 4.415 108 2HE2 GLN 14 HE22 GLN 14 -12.628 12.936 4.805 109 H VAL 15 H VAL 15 -12.767 9.901 -0.515 110 HA VAL 15 HA VAL 15 -9.989 9.065 -0.367 111 HB VAL 15 HB VAL 15 -11.842 8.930 -2.774 112 1HG1 VAL 15 HG11 VAL 15 -9.334 7.391 -2.003 113 2HG1 VAL 15 HG12 VAL 15 -10.395 6.991 -3.371 114 3HG1 VAL 15 HG13 VAL 15 -9.516 8.525 -3.352 115 1HG2 VAL 15 HG21 VAL 15 -11.453 6.909 -0.526 116 2HG2 VAL 15 HG22 VAL 15 -12.938 7.820 -0.844 117 3HG2 VAL 15 HG23 VAL 15 -12.365 6.656 -2.035 118 H LYS 16 H LYS 16 -11.836 11.391 -2.366 119 HA LYS 16 HA LYS 16 -9.597 12.457 -3.812 120 1HB LYS 16 HB2 LYS 16 -12.294 13.693 -3.125 121 2HB LYS 16 HB3 LYS 16 -11.095 14.403 -4.210 122 1HG LYS 16 HG2 LYS 16 -11.200 12.445 -5.685 123 2HG LYS 16 HG3 LYS 16 -12.361 11.655 -4.598 124 1HD LYS 16 HD2 LYS 16 -14.024 13.393 -5.005 125 2HD LYS 16 HD3 LYS 16 -12.856 14.372 -5.904 126 1HE LYS 16 HE2 LYS 16 -14.399 13.197 -7.428 127 2HE LYS 16 HE3 LYS 16 -12.719 12.700 -7.687 128 1HZ LYS 16 HZ1 LYS 16 -14.704 11.211 -6.118 129 2HZ LYS 16 HZ2 LYS 16 -14.238 10.851 -7.657 130 3HZ LYS 16 HZ3 LYS 16 -13.157 10.734 -6.420 131 H ALA 17 H ALA 17 -11.126 13.346 -0.683 132 HA ALA 17 HA ALA 17 -9.482 15.563 -0.098 133 1HB ALA 17 HB2 ALA 17 -11.442 14.830 1.254 134 2HB ALA 17 HB3 ALA 17 -10.426 13.557 1.972 135 3HB ALA 17 HB1 ALA 17 -9.998 15.257 2.191 136 H MET 18 H MET 18 -8.900 12.158 0.975 137 HA MET 18 HA MET 18 -6.355 12.597 2.066 138 1HB MET 18 HB2 MET 18 -7.658 10.130 0.933 139 2HB MET 18 HB3 MET 18 -6.050 10.102 1.675 140 1HG MET 18 HG2 MET 18 -6.905 11.083 3.747 141 2HG MET 18 HG3 MET 18 -8.544 11.134 3.091 142 1HE MET 18 HE1 MET 18 -8.838 8.400 1.639 143 2HE MET 18 HE2 MET 18 -9.520 7.391 2.940 144 3HE MET 18 HE3 MET 18 -10.052 9.082 2.746 145 H LEU 19 H LEU 19 -7.193 11.653 -1.310 146 HA LEU 19 HA LEU 19 -4.544 11.380 -2.244 147 1HB LEU 19 HB2 LEU 19 -7.104 12.264 -3.597 148 2HB LEU 19 HB3 LEU 19 -5.592 12.134 -4.496 149 HG LEU 19 HG LEU 19 -6.692 9.792 -2.894 150 1HD1 LEU 19 HD13 LEU 19 -7.138 10.463 -5.836 151 2HD1 LEU 19 HD11 LEU 19 -7.593 8.943 -5.037 152 3HD1 LEU 19 HD12 LEU 19 -8.379 10.460 -4.566 153 1HD2 LEU 19 HD23 LEU 19 -4.729 9.967 -5.235 154 2HD2 LEU 19 HD21 LEU 19 -4.280 9.635 -3.553 155 3HD2 LEU 19 HD22 LEU 19 -5.271 8.477 -4.442 156 H GLU 20 H GLU 20 -6.308 14.411 -1.532 157 HA GLU 20 HA GLU 20 -4.416 16.054 -2.988 158 1HB GLU 20 HB2 GLU 20 -6.388 16.722 -0.784 159 2HB GLU 20 HB3 GLU 20 -5.380 17.911 -1.609 160 1HG GLU 20 HG2 GLU 20 -6.374 17.533 -3.721 161 2HG GLU 20 HG3 GLU 20 -7.111 16.009 -3.233 162 HE2 GLU 20 HE GLU 20 -8.948 16.038 -2.205 163 H LYS 21 H LYS 21 -4.045 14.228 -0.068 164 HA LYS 21 HA LYS 21 -1.678 15.896 0.705 165 1HB LYS 21 HB2 LYS 21 -3.339 13.877 2.254 166 2HB LYS 21 HB3 LYS 21 -1.707 14.320 2.718 167 1HG LYS 21 HG2 LYS 21 -3.075 15.669 4.029 168 2HG LYS 21 HG3 LYS 21 -2.269 16.689 2.851 169 1HD LYS 21 HD2 LYS 21 -4.584 17.397 3.187 170 2HD LYS 21 HD3 LYS 21 -4.328 16.880 1.525 171 1HE LYS 21 HE2 LYS 21 -6.478 16.067 2.405 172 2HE LYS 21 HE3 LYS 21 -5.407 14.723 1.994 173 1HZ LYS 21 HZ3 LYS 21 -5.837 15.789 4.698 174 2HZ LYS 21 HZ1 LYS 21 -6.501 14.407 4.092 175 3HZ LYS 21 HZ2 LYS 21 -4.871 14.510 4.306 176 H ASP 22 H ASP 22 -2.131 13.855 -1.665 177 HA ASP 22 HA ASP 22 -0.197 11.792 -1.054 178 1HB ASP 22 HB2 ASP 22 -0.259 11.156 -3.236 179 2HB ASP 22 HB3 ASP 22 -1.890 11.772 -3.034 180 HD1 ASP 22 HD ASP 22 -2.212 13.934 -3.931 181 H THR 23 H THR 23 2.041 11.700 -1.794 182 HA THR 23 HA THR 23 3.392 14.263 -2.407 183 HB THR 23 HB THR 23 4.891 13.398 -0.348 184 HG1 THR 23 HG1 THR 23 3.498 12.521 1.261 185 1HG2 THR 23 HG22 THR 23 3.811 15.628 -0.389 186 2HG2 THR 23 HG23 THR 23 2.309 14.890 0.221 187 3HG2 THR 23 HG21 THR 23 3.782 14.848 1.209 188 H GLY 24 H GLY 24 5.705 13.902 -2.786 189 1HA GLY 24 HA2 GLY 24 7.544 12.265 -2.977 190 2HA GLY 24 HA3 GLY 24 6.404 11.133 -3.662 191 H LYS 25 H LYS 25 8.935 12.619 -4.617 192 HA LYS 25 HA LYS 25 8.080 14.192 -6.912 193 1HB LYS 25 HB2 LYS 25 10.825 13.030 -6.297 194 2HB LYS 25 HB3 LYS 25 10.440 14.370 -7.377 195 1HG LYS 25 HG2 LYS 25 10.241 14.332 -4.329 196 2HG LYS 25 HG3 LYS 25 11.418 15.190 -5.317 197 1HD LYS 25 HD2 LYS 25 9.550 16.537 -6.337 198 2HD LYS 25 HD3 LYS 25 8.416 15.767 -5.212 199 1HE LYS 25 HE2 LYS 25 10.833 17.472 -4.441 200 2HE LYS 25 HE3 LYS 25 9.132 17.963 -4.383 201 1HZ LYS 25 HZ1 LYS 25 8.776 16.178 -2.788 202 2HZ LYS 25 HZ2 LYS 25 10.397 15.857 -2.765 203 3HZ LYS 25 HZ3 LYS 25 9.839 17.317 -2.252 204 H VAL 26 H VAL 26 7.595 13.390 -8.852 205 HA VAL 26 HA VAL 26 7.363 10.586 -9.357 206 HB VAL 26 HB VAL 26 7.061 12.978 -11.215 207 1HG1 VAL 26 HG12 VAL 26 6.028 10.127 -11.435 208 2HG1 VAL 26 HG13 VAL 26 5.575 11.459 -12.512 209 3HG1 VAL 26 HG11 VAL 26 7.240 10.867 -12.496 210 1HG2 VAL 26 HG23 VAL 26 5.066 11.527 -9.431 211 2HG2 VAL 26 HG21 VAL 26 5.547 13.229 -9.319 212 3HG2 VAL 26 HG22 VAL 26 4.613 12.675 -10.708 213 H SER 27 H SER 27 9.415 9.712 -9.154 214 HA SER 27 HA SER 27 11.688 10.738 -10.725 215 1HB SER 27 HB2 SER 27 11.531 8.428 -8.755 216 2HB SER 27 HB3 SER 27 12.982 9.249 -9.347 217 HG SER 27 HG SER 27 10.868 10.586 -7.947 218 H GLY 28 H GLY 28 10.211 10.204 -12.621 219 1HA GLY 28 HA2 GLY 28 9.910 8.959 -14.541 220 2HA GLY 28 HA3 GLY 28 11.178 7.847 -13.997 221 H ASP 29 H ASP 29 10.548 5.882 -13.111 222 HA ASP 29 HA ASP 29 7.661 5.204 -13.079 223 1HB ASP 29 HB2 ASP 29 8.333 2.952 -13.026 224 2HB ASP 29 HB3 ASP 29 9.431 3.711 -14.188 225 HD2 ASP 29 HD ASP 29 10.947 1.683 -11.243 226 H THR 30 H THR 30 10.230 6.094 -10.927 227 HA THR 30 HA THR 30 9.091 4.663 -8.591 228 HB THR 30 HB THR 30 11.762 6.035 -9.172 229 HG1 THR 30 HG1 THR 30 11.565 4.163 -10.275 230 1HG2 THR 30 HG21 THR 30 11.083 4.438 -6.714 231 2HG2 THR 30 HG22 THR 30 12.659 5.037 -7.225 232 3HG2 THR 30 HG23 THR 30 11.379 6.189 -6.774 233 H VAL 31 H VAL 31 8.765 5.942 -6.606 234 HA VAL 31 HA VAL 31 8.304 8.872 -7.070 235 HB VAL 31 HB VAL 31 6.709 6.868 -5.441 236 1HG1 VAL 31 HG11 VAL 31 6.482 9.898 -5.553 237 2HG1 VAL 31 HG12 VAL 31 5.304 8.817 -4.779 238 3HG1 VAL 31 HG13 VAL 31 6.944 8.932 -4.120 239 1HG2 VAL 31 HG21 VAL 31 5.963 8.757 -7.737 240 2HG2 VAL 31 HG22 VAL 31 6.100 6.990 -7.841 241 3HG2 VAL 31 HG23 VAL 31 4.828 7.725 -6.848 242 H THR 32 H THR 32 9.412 10.227 -5.589 243 HA THR 32 HA THR 32 11.093 8.788 -3.550 244 HB THR 32 HB THR 32 11.844 11.056 -5.426 245 HG1 THR 32 HG1 THR 32 12.304 9.427 -6.598 246 1HG2 THR 32 HG22 THR 32 13.403 9.784 -3.138 247 2HG2 THR 32 HG23 THR 32 14.149 10.695 -4.466 248 3HG2 THR 32 HG21 THR 32 13.004 11.492 -3.383 249 H TYR 33 H TYR 33 10.781 9.458 -1.502 250 HA TYR 33 HA TYR 33 9.147 11.862 -1.115 251 1HB TYR 33 HB2 TYR 33 9.348 9.506 0.271 252 2HB TYR 33 HB3 TYR 33 10.312 10.569 1.283 253 HD1 TYR 33 HD2 TYR 33 6.982 9.865 -0.145 254 HD2 TYR 33 HD1 TYR 33 9.194 12.444 2.506 255 HE1 TYR 33 HE2 TYR 33 4.884 10.704 0.833 256 HE2 TYR 33 HE1 TYR 33 7.108 13.546 3.193 257 HH TYR 33 HH TYR 33 4.902 13.026 3.504 258 H SER 34 H SER 34 9.888 13.282 0.863 259 HA SER 34 HA SER 34 12.712 14.043 0.828 260 1HB SER 34 HB2 SER 34 10.697 16.015 -0.324 261 2HB SER 34 HB3 SER 34 12.454 16.174 -0.239 262 HG SER 34 HG SER 34 12.246 14.060 -1.602 263 H GLY 35 H GLY 35 11.274 13.227 3.029 264 1HA GLY 35 HA2 GLY 35 11.464 15.355 4.847 265 2HA GLY 35 HA3 GLY 35 9.758 15.221 4.350 266 H LYS 36 H LYS 36 10.307 14.689 6.969 267 HA LYS 36 HA LYS 36 10.868 11.855 7.391 268 1HB LYS 36 HB2 LYS 36 10.182 14.170 9.223 269 2HB LYS 36 HB3 LYS 36 10.206 12.500 9.783 270 1HG LYS 36 HG2 LYS 36 12.272 13.507 10.326 271 2HG LYS 36 HG3 LYS 36 12.514 12.191 9.174 272 1HD LYS 36 HD2 LYS 36 12.820 13.795 7.337 273 2HD LYS 36 HD3 LYS 36 12.488 15.161 8.425 274 1HE LYS 36 HE2 LYS 36 14.753 13.139 8.762 275 2HE LYS 36 HE3 LYS 36 14.933 14.715 7.968 276 1HZ LYS 36 HZ2 LYS 36 14.286 15.758 10.021 277 2HZ LYS 36 HZ3 LYS 36 14.163 14.292 10.768 278 3HZ LYS 36 HZ1 LYS 36 15.623 14.819 10.224 279 H THR 37 H THR 37 7.906 13.919 7.247 280 HA THR 37 HA THR 37 6.210 11.702 8.157 281 HB THR 37 HB THR 37 4.439 13.451 7.481 282 HG1 THR 37 HG1 THR 37 5.797 14.667 6.127 283 1HG2 THR 37 HG23 THR 37 5.248 12.963 9.756 284 2HG2 THR 37 HG21 THR 37 6.589 14.103 9.544 285 3HG2 THR 37 HG22 THR 37 4.911 14.705 9.559 286 H VAL 38 H VAL 38 6.732 10.137 6.733 287 HA VAL 38 HA VAL 38 6.457 10.595 3.811 288 HB VAL 38 HB VAL 38 7.545 8.291 5.409 289 1HG1 VAL 38 HG13 VAL 38 7.173 8.541 2.385 290 2HG1 VAL 38 HG11 VAL 38 8.260 7.378 3.165 291 3HG1 VAL 38 HG12 VAL 38 6.521 7.264 3.428 292 1HG2 VAL 38 HG23 VAL 38 8.908 10.397 5.136 293 2HG2 VAL 38 HG21 VAL 38 9.641 8.918 4.488 294 3HG2 VAL 38 HG22 VAL 38 8.921 10.098 3.398 295 H HIS 39 H HIS 39 4.296 11.092 3.714 296 HA HIS 39 HA HIS 39 2.269 9.216 4.679 297 1HB HIS 39 HB2 HIS 39 2.009 11.672 4.874 298 2HB HIS 39 HB3 HIS 39 2.072 11.824 3.111 299 HD1 HIS 39 HD1 HIS 39 -0.347 12.304 2.321 300 HD2 HIS 39 HD2 HIS 39 -0.030 9.397 5.373 301 HE1 HIS 39 HE1 HIS 39 -2.721 11.418 2.753 302 HE2 HIS 39 HE2 HIS 39 -2.483 9.587 4.569 303 H VAL 40 H VAL 40 2.056 7.361 3.435 304 HA VAL 40 HA VAL 40 2.258 7.618 0.448 305 HB VAL 40 HB VAL 40 2.493 5.173 2.226 306 1HG1 VAL 40 HG13 VAL 40 2.809 5.520 -0.789 307 2HG1 VAL 40 HG11 VAL 40 3.219 4.057 0.128 308 3HG1 VAL 40 HG12 VAL 40 1.537 4.587 0.028 309 1HG2 VAL 40 HG21 VAL 40 4.574 6.762 0.667 310 2HG2 VAL 40 HG22 VAL 40 4.441 6.649 2.434 311 3HG2 VAL 40 HG23 VAL 40 4.858 5.213 1.491 312 H VAL 41 H VAL 41 0.255 8.188 -0.281 313 HA VAL 41 HA VAL 41 -2.177 6.959 0.810 314 HB VAL 41 HB VAL 41 -1.848 8.775 -1.605 315 1HG1 VAL 41 HG11 VAL 41 -4.273 8.000 0.106 316 2HG1 VAL 41 HG12 VAL 41 -4.270 9.253 -1.140 317 3HG1 VAL 41 HG13 VAL 41 -4.004 7.559 -1.594 318 1HG2 VAL 41 HG22 VAL 41 -2.551 9.433 1.278 319 2HG2 VAL 41 HG23 VAL 41 -1.046 9.914 0.461 320 3HG2 VAL 41 HG21 VAL 41 -2.591 10.578 -0.078 321 H ALA 42 H ALA 42 -2.653 4.892 0.258 322 HA ALA 42 HA ALA 42 -1.948 3.862 -2.460 323 1HB ALA 42 HB2 ALA 42 -1.702 2.432 0.216 324 2HB ALA 42 HB3 ALA 42 -1.424 1.708 -1.384 325 3HB ALA 42 HB1 ALA 42 -0.355 2.997 -0.794 326 H ALA 43 H ALA 43 -3.334 2.087 -3.190 327 HA ALA 43 HA ALA 43 -5.843 1.643 -1.743 328 1HB ALA 43 HB2 ALA 43 -5.670 2.835 -4.556 329 2HB ALA 43 HB3 ALA 43 -7.160 2.268 -3.778 330 3HB ALA 43 HB1 ALA 43 -6.293 3.665 -3.114 331 H ALA 44 H ALA 44 -7.164 -0.019 -2.901 332 HA ALA 44 HA ALA 44 -5.462 -1.984 -4.388 333 1HB ALA 44 HB3 ALA 44 -5.597 -2.627 -1.985 334 2HB ALA 44 HB1 ALA 44 -7.376 -2.637 -2.129 335 3HB ALA 44 HB2 ALA 44 -6.411 -3.775 -3.064 336 H VAL 45 H VAL 45 -6.379 -2.332 -6.259 337 HA VAL 45 HA VAL 45 -7.899 -2.250 -7.955 338 HB VAL 45 HB VAL 45 -8.999 -4.533 -6.284 339 1HG1 VAL 45 HG13 VAL 45 -10.148 -4.087 -8.523 340 2HG1 VAL 45 HG11 VAL 45 -8.563 -4.259 -9.292 341 3HG1 VAL 45 HG12 VAL 45 -9.300 -5.631 -8.450 342 1HG2 VAL 45 HG23 VAL 45 -6.501 -4.471 -7.996 343 2HG2 VAL 45 HG21 VAL 45 -6.546 -4.661 -6.232 344 3HG2 VAL 45 HG22 VAL 45 -7.236 -5.915 -7.256 345 H LEU 46 H LEU 46 -8.851 -0.059 -7.059 346 HA LEU 46 HA LEU 46 -11.521 -0.324 -5.951 347 1HB LEU 46 HB2 LEU 46 -10.146 2.070 -7.235 348 2HB LEU 46 HB3 LEU 46 -11.684 2.119 -6.385 349 HG LEU 46 HG LEU 46 -8.999 1.355 -5.144 350 1HD1 LEU 46 HD11 LEU 46 -10.729 3.857 -4.887 351 2HD1 LEU 46 HD12 LEU 46 -9.248 3.527 -3.970 352 3HD1 LEU 46 HD13 LEU 46 -9.166 3.743 -5.726 353 1HD2 LEU 46 HD22 LEU 46 -11.801 1.599 -3.979 354 2HD2 LEU 46 HD23 LEU 46 -10.726 0.183 -3.947 355 3HD2 LEU 46 HD21 LEU 46 -10.326 1.616 -2.992 356 HA PRO 47 HA PRO 47 -13.981 -1.333 -9.416 357 1HB PRO 47 HB2 PRO 47 -15.447 1.252 -8.789 358 2HB PRO 47 HB3 PRO 47 -16.140 -0.313 -9.309 359 1HG PRO 47 HG2 PRO 47 -16.066 0.305 -6.673 360 2HG PRO 47 HG3 PRO 47 -15.553 -1.327 -7.206 361 1HD PRO 47 HD2 PRO 47 -13.829 1.010 -6.406 362 2HD PRO 47 HD3 PRO 47 -13.629 -0.740 -6.087 363 H GLY 48 H GLY 48 -12.753 -1.205 -11.243 364 1HA GLY 48 HA2 GLY 48 -12.957 0.109 -13.460 365 2HA GLY 48 HA3 GLY 48 -12.219 1.429 -12.537 366 H PHE 49 H PHE 49 -10.440 0.008 -10.883 367 HA PHE 49 HA PHE 49 -8.324 -0.393 -12.842 368 1HB PHE 49 HB2 PHE 49 -8.306 -0.581 -9.819 369 2HB PHE 49 HB3 PHE 49 -6.874 -0.642 -10.842 370 HD1 PHE 49 HD1 PHE 49 -6.535 1.367 -12.515 371 HD2 PHE 49 HD2 PHE 49 -9.174 1.526 -9.132 372 HE1 PHE 49 HE1 PHE 49 -6.581 3.852 -12.659 373 HE2 PHE 49 HE2 PHE 49 -9.153 4.004 -9.217 374 HZ PHE 49 HZ PHE 49 -7.855 5.170 -10.988 375 HA PRO 50 HA PRO 50 -8.914 -4.753 -13.014 376 1HB PRO 50 HB2 PRO 50 -6.638 -5.619 -14.235 377 2HB PRO 50 HB3 PRO 50 -7.805 -4.538 -15.055 378 1HG PRO 50 HG2 PRO 50 -5.273 -3.734 -13.587 379 2HG PRO 50 HG3 PRO 50 -5.764 -3.271 -15.244 380 1HD PRO 50 HD2 PRO 50 -6.247 -1.648 -13.109 381 2HD PRO 50 HD3 PRO 50 -7.446 -1.815 -14.429 382 H PHE 51 H PHE 51 -8.350 -6.753 -12.048 383 HA PHE 51 HA PHE 51 -6.966 -6.567 -9.566 384 1HB PHE 51 HB2 PHE 51 -8.170 -8.818 -11.170 385 2HB PHE 51 HB3 PHE 51 -6.988 -9.242 -9.958 386 HD1 PHE 51 HD1 PHE 51 -10.375 -7.804 -10.431 387 HD2 PHE 51 HD2 PHE 51 -7.373 -9.065 -7.594 388 HE1 PHE 51 HE1 PHE 51 -12.070 -7.806 -8.621 389 HE2 PHE 51 HE2 PHE 51 -9.087 -9.076 -5.798 390 HZ PHE 51 HZ PHE 51 -11.403 -8.426 -6.293 391 HA PRO 52 HA PRO 52 -5.624 -7.269 -8.182 392 1HB PRO 52 HB2 PRO 52 -3.701 -8.464 -6.996 393 2HB PRO 52 HB3 PRO 52 -4.583 -9.420 -8.195 394 1HG PRO 52 HG2 PRO 52 -1.939 -7.978 -8.684 395 2HG PRO 52 HG3 PRO 52 -2.330 -9.677 -9.002 396 1HD PRO 52 HD2 PRO 52 -2.606 -7.593 -10.868 397 2HD PRO 52 HD3 PRO 52 -3.494 -9.137 -10.942 398 H SER 53 H SER 53 -4.853 -4.925 -9.722 399 HA SER 53 HA SER 53 -2.219 -4.122 -8.961 400 1HB SER 53 HB2 SER 53 -2.824 -1.988 -10.116 401 2HB SER 53 HB3 SER 53 -3.224 -3.428 -11.062 402 HG SER 53 HG SER 53 -5.383 -3.145 -10.491 403 H PHE 54 H PHE 54 -1.388 -3.123 -7.207 404 HA PHE 54 HA PHE 54 -3.111 -1.770 -5.230 405 1HB PHE 54 HB2 PHE 54 -0.083 -2.035 -5.600 406 2HB PHE 54 HB3 PHE 54 -0.797 -0.968 -4.420 407 HD1 PHE 54 HD1 PHE 54 -2.780 -2.120 -2.953 408 HD2 PHE 54 HD2 PHE 54 0.882 -3.867 -4.426 409 HE1 PHE 54 HE1 PHE 54 -2.665 -3.597 -0.953 410 HE2 PHE 54 HE2 PHE 54 1.059 -5.214 -2.355 411 HZ PHE 54 HZ PHE 54 -0.726 -5.043 -0.605 412 H GLU 55 H GLU 55 -3.881 0.316 -5.862 413 HA GLU 55 HA GLU 55 -2.262 1.770 -7.888 414 1HB GLU 55 HB2 GLU 55 -4.782 2.960 -6.855 415 2HB GLU 55 HB3 GLU 55 -3.900 3.048 -8.400 416 1HG GLU 55 HG2 GLU 55 -5.787 1.889 -8.991 417 2HG GLU 55 HG3 GLU 55 -4.608 0.593 -8.798 418 HE1 GLU 55 HE GLU 55 -5.053 -0.847 -6.941 419 H VAL 56 H VAL 56 -1.059 3.674 -7.301 420 HA VAL 56 HA VAL 56 -1.117 4.456 -4.420 421 HB VAL 56 HB VAL 56 1.362 3.642 -5.938 422 1HG1 VAL 56 HG13 VAL 56 0.988 4.649 -3.082 423 2HG1 VAL 56 HG11 VAL 56 2.493 3.964 -3.727 424 3HG1 VAL 56 HG12 VAL 56 1.871 5.473 -4.388 425 1HG2 VAL 56 HG21 VAL 56 -0.128 2.320 -3.625 426 2HG2 VAL 56 HG22 VAL 56 0.170 1.630 -5.237 427 3HG2 VAL 56 HG23 VAL 56 1.512 1.873 -4.116 428 H HIS 57 H HIS 57 -2.178 6.250 -5.028 429 HA HIS 57 HA HIS 57 -2.642 8.221 -5.999 430 1HB HIS 57 HB2 HIS 57 -0.940 10.003 -5.454 431 2HB HIS 57 HB3 HIS 57 -1.615 9.053 -4.131 432 HD1 HIS 57 HD1 HIS 57 0.091 7.144 -3.067 433 HD2 HIS 57 HD2 HIS 57 1.569 10.416 -5.270 434 HE1 HIS 57 HE1 HIS 57 2.477 7.597 -2.217 435 HE2 HIS 57 HE2 HIS 57 3.336 9.622 -3.545 436 H ASP 58 H ASP 58 0.718 8.787 -6.862 437 HA ASP 58 HA ASP 58 -0.136 9.757 -9.450 438 1HB ASP 58 HB2 ASP 58 1.719 10.811 -8.257 439 2HB ASP 58 HB3 ASP 58 2.639 9.289 -8.286 440 HD1 ASP 58 HD ASP 58 2.176 11.326 -11.737 441 H LYS 59 H LYS 59 0.979 6.659 -8.257 442 HA LYS 59 HA LYS 59 1.330 5.612 -11.046 443 1HB LYS 59 HB2 LYS 59 2.906 4.967 -8.533 444 2HB LYS 59 HB3 LYS 59 3.180 4.241 -10.128 445 1HG LYS 59 HG2 LYS 59 3.707 7.135 -9.372 446 2HG LYS 59 HG3 LYS 59 4.885 5.842 -9.630 447 1HD LYS 59 HD2 LYS 59 3.890 5.615 -12.017 448 2HD LYS 59 HD3 LYS 59 3.108 7.181 -11.694 449 1HE LYS 59 HE2 LYS 59 5.444 8.024 -11.009 450 2HE LYS 59 HE3 LYS 59 6.081 6.523 -11.683 451 1HZ LYS 59 HZ3 LYS 59 4.997 7.134 -13.772 452 2HZ LYS 59 HZ1 LYS 59 4.583 8.596 -13.121 453 3HZ LYS 59 HZ2 LYS 59 6.177 8.179 -13.299 454 H LYS 60 H LYS 60 1.674 3.046 -10.575 455 HA LYS 60 HA LYS 60 -0.289 2.011 -8.645 456 1HB LYS 60 HB2 LYS 60 -0.069 1.099 -11.541 457 2HB LYS 60 HB3 LYS 60 -1.201 0.487 -10.321 458 1HG LYS 60 HG2 LYS 60 -2.351 2.688 -10.295 459 2HG LYS 60 HG3 LYS 60 -1.208 3.301 -11.504 460 1HD LYS 60 HD2 LYS 60 -1.901 1.513 -13.085 461 2HD LYS 60 HD3 LYS 60 -3.123 0.966 -11.915 462 1HE LYS 60 HE2 LYS 60 -4.241 3.151 -12.018 463 2HE LYS 60 HE3 LYS 60 -2.977 3.792 -13.082 464 1HZ LYS 60 HZ3 LYS 60 -4.763 1.567 -13.761 465 2HZ LYS 60 HZ1 LYS 60 -4.904 3.118 -14.305 466 3HZ LYS 60 HZ2 LYS 60 -3.598 2.210 -14.731 467 H ASN 61 H ASN 61 0.654 0.436 -7.535 468 HA ASN 61 HA ASN 61 2.315 -0.867 -6.692 469 1HB ASN 61 HB2 ASN 61 2.417 -1.804 -9.575 470 2HB ASN 61 HB3 ASN 61 2.898 -2.740 -8.188 471 1HD2 ASN 61 HD22 ASN 61 -1.114 -2.284 -9.038 472 2HD2 ASN 61 HD21 ASN 61 -0.023 -1.063 -9.619 473 HA PRO 62 HA PRO 62 5.742 1.621 -8.902 474 1HB PRO 62 HB2 PRO 62 6.076 3.862 -7.372 475 2HB PRO 62 HB3 PRO 62 4.759 3.687 -8.544 476 1HG PRO 62 HG2 PRO 62 4.658 3.027 -5.563 477 2HG PRO 62 HG3 PRO 62 3.630 4.212 -6.420 478 1HD PRO 62 HD2 PRO 62 2.751 1.674 -6.086 479 2HD PRO 62 HD3 PRO 62 2.574 2.515 -7.649 480 H THR 63 H THR 63 7.732 2.637 -7.883 481 HA THR 63 HA THR 63 8.797 0.942 -5.696 482 HB THR 63 HB THR 63 10.185 2.439 -7.965 483 HG1 THR 63 HG1 THR 63 8.998 0.592 -8.589 484 1HG2 THR 63 HG22 THR 63 11.143 0.678 -5.704 485 2HG2 THR 63 HG23 THR 63 12.097 0.925 -7.190 486 3HG2 THR 63 HG21 THR 63 11.716 2.316 -6.149 487 H LEU 64 H LEU 64 9.417 2.110 -3.820 488 HA LEU 64 HA LEU 64 9.065 5.085 -3.902 489 1HB LEU 64 HB2 LEU 64 8.492 3.059 -1.724 490 2HB LEU 64 HB3 LEU 64 8.710 4.784 -1.429 491 HG LEU 64 HG LEU 64 6.924 5.178 -3.257 492 1HD1 LEU 64 HD13 LEU 64 6.283 2.310 -2.402 493 2HD1 LEU 64 HD11 LEU 64 5.176 3.374 -3.286 494 3HD1 LEU 64 HD12 LEU 64 6.673 2.827 -4.054 495 1HD2 LEU 64 HD21 LEU 64 6.213 4.026 -0.525 496 2HD2 LEU 64 HD22 LEU 64 6.653 5.714 -0.872 497 3HD2 LEU 64 HD23 LEU 64 5.157 5.038 -1.533 498 H GLU 65 H GLU 65 10.822 6.306 -3.565 499 HA GLU 65 HA GLU 65 13.183 5.115 -2.147 500 1HB GLU 65 HB2 GLU 65 12.999 7.667 -3.743 501 2HB GLU 65 HB3 GLU 65 14.414 7.123 -2.827 502 1HG GLU 65 HG2 GLU 65 14.331 4.965 -4.197 503 2HG GLU 65 HG3 GLU 65 13.113 5.752 -5.198 504 HE1 GLU 65 HE GLU 65 14.018 8.180 -5.616 505 H ILE 66 H ILE 66 13.518 5.597 -0.093 506 HA ILE 66 HA ILE 66 11.859 7.691 1.224 507 HB ILE 66 HB ILE 66 12.360 4.758 1.769 508 1HG1 ILE 66 HG12 ILE 66 9.870 6.473 1.361 509 2HG1 ILE 66 HG13 ILE 66 10.516 5.213 0.303 510 1HG2 ILE 66 HG21 ILE 66 12.678 5.942 3.964 511 2HG2 ILE 66 HG22 ILE 66 11.101 6.733 3.745 512 3HG2 ILE 66 HG23 ILE 66 11.220 4.974 3.942 513 1HD1 ILE 66 HD12 ILE 66 10.065 3.543 2.161 514 2HD1 ILE 66 HD13 ILE 66 9.162 4.835 2.986 515 3HD1 ILE 66 HD11 ILE 66 8.642 4.274 1.392 516 HA PRO 67 HA PRO 67 15.786 8.493 3.341 517 1HB PRO 67 HB2 PRO 67 14.987 10.460 5.049 518 2HB PRO 67 HB3 PRO 67 15.252 10.712 3.301 519 1HG PRO 67 HG2 PRO 67 12.641 10.338 4.744 520 2HG PRO 67 HG3 PRO 67 13.016 11.454 3.413 521 1HD PRO 67 HD2 PRO 67 11.754 8.990 3.132 522 2HD PRO 67 HD3 PRO 67 12.690 9.784 1.828 523 H ALA 68 H ALA 68 16.507 7.071 4.816 524 HA ALA 68 HA ALA 68 15.121 5.393 6.498 525 1HB ALA 68 HB3 ALA 68 17.556 5.218 5.925 526 2HB ALA 68 HB1 ALA 68 17.881 6.575 7.018 527 3HB ALA 68 HB2 ALA 68 17.250 5.045 7.665 528 H GLY 69 H GLY 69 14.478 5.281 8.627 529 1HA GLY 69 HA2 GLY 69 13.958 6.011 10.736 530 2HA GLY 69 HA3 GLY 69 14.983 7.430 10.505 531 H ALA 70 H ALA 70 13.059 7.822 7.891 532 HA ALA 70 HA ALA 70 11.355 9.791 8.985 533 1HB ALA 70 HB2 ALA 70 11.132 8.068 6.476 534 2HB ALA 70 HB3 ALA 70 10.172 9.517 6.793 535 3HB ALA 70 HB1 ALA 70 11.931 9.655 6.644 536 H THR 71 H THR 71 9.031 9.751 9.301 537 HA THR 71 HA THR 71 8.052 7.165 10.406 538 HB THR 71 HB THR 71 6.783 9.924 10.501 539 HG1 THR 71 HG1 THR 71 8.789 9.574 11.694 540 1HG2 THR 71 HG21 THR 71 6.157 7.256 11.869 541 2HG2 THR 71 HG22 THR 71 5.392 8.809 12.274 542 3HG2 THR 71 HG23 THR 71 5.148 8.089 10.673 543 H VAL 72 H VAL 72 7.541 5.906 8.721 544 HA VAL 72 HA VAL 72 6.210 6.919 6.300 545 HB VAL 72 HB VAL 72 6.933 4.102 7.234 546 1HG1 VAL 72 HG12 VAL 72 5.889 5.138 4.551 547 2HG1 VAL 72 HG13 VAL 72 6.489 3.494 4.850 548 3HG1 VAL 72 HG11 VAL 72 5.027 4.060 5.667 549 1HG2 VAL 72 HG21 VAL 72 8.909 5.556 6.729 550 2HG2 VAL 72 HG22 VAL 72 8.714 4.238 5.562 551 3HG2 VAL 72 HG23 VAL 72 8.232 5.891 5.130 552 H ASP 73 H ASP 73 4.050 7.084 6.145 553 HA ASP 73 HA ASP 73 2.306 5.498 7.982 554 1HB ASP 73 HB2 ASP 73 2.241 8.466 7.438 555 2HB ASP 73 HB3 ASP 73 0.717 7.580 7.615 556 HD1 ASP 73 HD ASP 73 1.403 6.444 10.871 557 H VAL 74 H VAL 74 1.584 3.969 6.692 558 HA VAL 74 HA VAL 74 1.080 4.555 3.825 559 HB VAL 74 HB VAL 74 0.901 1.982 5.379 560 1HG1 VAL 74 HG12 VAL 74 0.829 2.567 2.376 561 2HG1 VAL 74 HG13 VAL 74 0.891 0.944 3.084 562 3HG1 VAL 74 HG11 VAL 74 -0.531 1.964 3.349 563 1HG2 VAL 74 HG23 VAL 74 3.111 3.075 3.600 564 2HG2 VAL 74 HG21 VAL 74 3.208 2.666 5.330 565 3HG2 VAL 74 HG22 VAL 74 2.998 1.385 4.137 566 H THR 75 H THR 75 -0.752 5.592 3.527 567 HA THR 75 HA THR 75 -3.178 5.091 5.178 568 HB THR 75 HB THR 75 -2.555 7.198 3.066 569 HG1 THR 75 HG1 THR 75 -1.401 7.357 5.040 570 1HG2 THR 75 HG22 THR 75 -4.925 6.916 4.973 571 2HG2 THR 75 HG23 THR 75 -4.583 8.323 3.948 572 3HG2 THR 75 HG21 THR 75 -4.987 6.771 3.208 573 H PHE 76 H PHE 76 -3.902 3.102 4.381 574 HA PHE 76 HA PHE 76 -4.089 2.613 1.493 575 1HB PHE 76 HB2 PHE 76 -5.083 1.246 3.987 576 2HB PHE 76 HB3 PHE 76 -5.885 0.859 2.497 577 HD1 PHE 76 HD1 PHE 76 -3.926 0.641 0.439 578 HD2 PHE 76 HD2 PHE 76 -3.921 -0.830 4.492 579 HE1 PHE 76 HE1 PHE 76 -3.905 -1.648 -0.399 580 HE2 PHE 76 HE2 PHE 76 -3.933 -3.144 3.639 581 HZ PHE 76 HZ PHE 76 -4.042 -3.567 1.191 582 H ILE 77 H ILE 77 -5.946 2.648 0.290 583 HA ILE 77 HA ILE 77 -8.604 3.099 1.522 584 HB ILE 77 HB ILE 77 -7.615 4.467 -1.019 585 1HG1 ILE 77 HG12 ILE 77 -9.084 6.254 0.586 586 2HG1 ILE 77 HG13 ILE 77 -8.202 5.340 1.785 587 1HG2 ILE 77 HG23 ILE 77 -10.409 4.258 0.171 588 2HG2 ILE 77 HG21 ILE 77 -9.955 5.245 -1.236 589 3HG2 ILE 77 HG22 ILE 77 -9.914 3.504 -1.357 590 1HD1 ILE 77 HD11 ILE 77 -6.063 5.807 0.494 591 2HD1 ILE 77 HD12 ILE 77 -7.026 6.841 -0.596 592 3HD1 ILE 77 HD13 ILE 77 -6.854 7.266 1.119 593 H ASN 78 H ASN 78 -8.499 0.793 1.591 594 HA ASN 78 HA ASN 78 -8.463 -0.583 -1.081 595 1HB ASN 78 HB2 ASN 78 -7.158 -2.023 -0.009 596 2HB ASN 78 HB3 ASN 78 -7.683 -1.656 1.587 597 1HD2 ASN 78 HD22 ASN 78 -9.901 -4.438 1.607 598 2HD2 ASN 78 HD21 ASN 78 -8.597 -3.563 2.382 599 H THR 79 H THR 79 -10.385 -0.400 -1.951 600 HA THR 79 HA THR 79 -12.700 -1.321 -0.410 601 HB THR 79 HB THR 79 -12.806 1.374 -1.840 602 HG1 THR 79 HG1 THR 79 -12.032 0.635 0.610 603 1HG2 THR 79 HG22 THR 79 -14.885 -0.346 -0.431 604 2HG2 THR 79 HG23 THR 79 -15.055 1.418 -0.602 605 3HG2 THR 79 HG21 THR 79 -14.984 0.403 -2.030 606 H ASN 80 H ASN 80 -11.143 -2.697 -2.037 607 HA ASN 80 HA ASN 80 -12.208 -2.824 -4.738 608 1HB ASN 80 HB2 ASN 80 -10.034 -3.837 -4.216 609 2HB ASN 80 HB3 ASN 80 -10.753 -4.786 -2.907 610 1HD2 ASN 80 HD21 ASN 80 -11.867 -5.912 -6.707 611 2HD2 ASN 80 HD22 ASN 80 -11.569 -4.200 -6.382 612 H LYS 81 H LYS 81 -12.630 -4.623 -1.801 613 HA LYS 81 HA LYS 81 -14.484 -5.133 -0.599 614 1HB LYS 81 HB2 LYS 81 -16.179 -4.963 -3.104 615 2HB LYS 81 HB3 LYS 81 -16.753 -5.363 -1.494 616 1HG LYS 81 HG2 LYS 81 -16.085 -3.246 -0.568 617 2HG LYS 81 HG3 LYS 81 -15.302 -2.740 -2.061 618 1HD LYS 81 HD2 LYS 81 -18.284 -3.212 -1.641 619 2HD LYS 81 HD3 LYS 81 -17.466 -1.653 -1.779 620 1HE LYS 81 HE2 LYS 81 -17.864 -3.727 -3.976 621 2HE LYS 81 HE3 LYS 81 -18.492 -2.079 -3.896 622 1HZ LYS 81 HZ3 LYS 81 -16.184 -1.315 -4.020 623 2HZ LYS 81 HZ1 LYS 81 -15.683 -2.873 -4.228 624 3HZ LYS 81 HZ2 LYS 81 -16.655 -2.169 -5.351 625 H GLY 82 H GLY 82 -15.611 -7.219 -0.251 626 1HA GLY 82 HA2 GLY 82 -15.577 -9.511 -0.239 627 2HA GLY 82 HA3 GLY 82 -14.936 -9.513 -1.893 628 H PHE 83 H PHE 83 -12.614 -8.539 -1.989 629 HA PHE 83 HA PHE 83 -10.882 -10.175 -0.286 630 1HB PHE 83 HB2 PHE 83 -10.316 -8.206 -2.519 631 2HB PHE 83 HB3 PHE 83 -9.102 -9.187 -1.716 632 HD1 PHE 83 HD1 PHE 83 -9.127 -11.704 -1.989 633 HD2 PHE 83 HD2 PHE 83 -11.904 -9.191 -4.111 634 HE1 PHE 83 HE1 PHE 83 -9.476 -13.505 -3.658 635 HE2 PHE 83 HE2 PHE 83 -12.258 -10.998 -5.777 636 HZ PHE 83 HZ PHE 83 -11.018 -13.140 -5.574 637 H GLY 84 H GLY 84 -10.730 -9.354 1.790 638 1HA GLY 84 HA2 GLY 84 -10.278 -6.560 2.490 639 2HA GLY 84 HA3 GLY 84 -9.986 -7.991 3.475 640 H HIS 85 H HIS 85 -8.622 -6.331 0.560 641 HA HIS 85 HA HIS 85 -6.243 -7.761 0.478 642 1HB HIS 85 HB2 HIS 85 -6.631 -4.852 -0.251 643 2HB HIS 85 HB3 HIS 85 -5.217 -5.814 -0.674 644 HD2 HIS 85 HD2 HIS 85 -8.821 -5.195 -1.655 645 HE1 HIS 85 HE1 HIS 85 -7.305 -7.869 -4.562 646 HE2 HIS 85 HE2 HIS 85 -9.274 -6.420 -3.917 647 H SER 86 H SER 86 -4.291 -7.805 1.474 648 HA SER 86 HA SER 86 -3.823 -6.138 3.863 649 1HB SER 86 HB2 SER 86 -1.945 -7.971 3.947 650 2HB SER 86 HB3 SER 86 -3.607 -8.446 4.284 651 HG SER 86 HG SER 86 -2.860 -9.892 2.825 652 H PHE 87 H PHE 87 -1.738 -5.100 4.037 653 HA PHE 87 HA PHE 87 -0.162 -4.811 1.528 654 1HB PHE 87 HB2 PHE 87 -1.517 -2.756 2.172 655 2HB PHE 87 HB3 PHE 87 -0.514 -2.591 3.585 656 HD1 PHE 87 HD1 PHE 87 2.149 -2.592 3.059 657 HD2 PHE 87 HD2 PHE 87 -0.928 -1.677 0.172 658 HE1 PHE 87 HE1 PHE 87 3.716 -1.111 1.842 659 HE2 PHE 87 HE2 PHE 87 0.698 -0.340 -1.123 660 HZ PHE 87 HZ PHE 87 3.007 -0.004 -0.262 661 H ASP 88 H ASP 88 1.810 -5.877 2.104 662 HA ASP 88 HA ASP 88 2.634 -5.812 4.985 663 1HB ASP 88 HB2 ASP 88 2.870 -8.284 3.283 664 2HB ASP 88 HB3 ASP 88 2.909 -8.114 5.040 665 HD2 ASP 88 HD ASP 88 0.884 -8.051 2.290 666 H ILE 89 H ILE 89 4.661 -5.157 5.256 667 HA ILE 89 HA ILE 89 6.390 -4.803 2.888 668 HB ILE 89 HB ILE 89 6.455 -3.501 5.625 669 1HG1 ILE 89 HG12 ILE 89 5.511 -2.494 2.907 670 2HG1 ILE 89 HG13 ILE 89 4.497 -2.802 4.324 671 1HG2 ILE 89 HG23 ILE 89 8.713 -3.665 4.610 672 2HG2 ILE 89 HG21 ILE 89 8.091 -2.945 3.111 673 3HG2 ILE 89 HG22 ILE 89 8.151 -2.007 4.619 674 1HD1 ILE 89 HD11 ILE 89 5.772 -1.006 5.558 675 2HD1 ILE 89 HD12 ILE 89 6.545 -0.586 4.010 676 3HD1 ILE 89 HD13 ILE 89 4.795 -0.452 4.187 677 H THR 90 H THR 90 8.297 -5.845 2.722 678 HA THR 90 HA THR 90 9.697 -7.005 4.965 679 HB THR 90 HB THR 90 8.004 -8.647 4.713 680 HG1 THR 90 HG1 THR 90 9.344 -10.357 4.607 681 1HG2 THR 90 HG23 THR 90 8.823 -8.925 1.776 682 2HG2 THR 90 HG21 THR 90 7.728 -10.019 2.643 683 3HG2 THR 90 HG22 THR 90 7.264 -8.330 2.382 684 H LYS 91 H LYS 91 11.173 -8.817 3.213 685 HA LYS 91 HA LYS 91 12.450 -6.824 1.356 686 1HB LYS 91 HB2 LYS 91 14.000 -8.640 3.254 687 2HB LYS 91 HB3 LYS 91 14.627 -7.346 2.219 688 1HG LYS 91 HG2 LYS 91 13.188 -5.726 3.567 689 2HG LYS 91 HG3 LYS 91 12.839 -7.065 4.674 690 1HD LYS 91 HD2 LYS 91 14.562 -5.893 5.717 691 2HD LYS 91 HD3 LYS 91 15.365 -7.306 5.011 692 1HE LYS 91 HE2 LYS 91 16.192 -5.906 3.138 693 2HE LYS 91 HE3 LYS 91 15.242 -4.531 3.723 694 1HZ LYS 91 HZ2 LYS 91 17.448 -5.784 5.182 695 2HZ LYS 91 HZ3 LYS 91 17.512 -4.361 4.353 696 3HZ LYS 91 HZ1 LYS 91 16.556 -4.489 5.685 697 H LYS 92 H LYS 92 11.047 -9.851 1.430 698 HA LYS 92 HA LYS 92 12.977 -11.157 -0.331 699 1HB LYS 92 HB2 LYS 92 10.082 -11.900 0.212 700 2HB LYS 92 HB3 LYS 92 11.340 -12.886 -0.561 701 1HG LYS 92 HG2 LYS 92 12.690 -12.464 1.668 702 2HG LYS 92 HG3 LYS 92 11.113 -12.033 2.348 703 1HD LYS 92 HD2 LYS 92 11.938 -14.692 1.092 704 2HD LYS 92 HD3 LYS 92 11.595 -14.366 2.799 705 1HE LYS 92 HE2 LYS 92 9.225 -13.742 2.108 706 2HE LYS 92 HE3 LYS 92 9.602 -14.356 0.487 707 1HZ LYS 92 HZ2 LYS 92 10.169 -16.463 1.554 708 2HZ LYS 92 HZ3 LYS 92 9.647 -15.853 3.005 709 3HZ LYS 92 HZ1 LYS 92 8.590 -16.025 1.747 710 H GLY 93 H GLY 93 13.001 -11.114 -2.539 711 1HA GLY 93 HA2 GLY 93 11.415 -9.033 -3.864 712 2HA GLY 93 HA3 GLY 93 12.791 -9.934 -4.521 713 HA PRO 94 HA PRO 94 8.756 -11.742 -6.198 714 1HB PRO 94 HB2 PRO 94 8.834 -10.735 -8.771 715 2HB PRO 94 HB3 PRO 94 8.124 -9.823 -7.409 716 1HG PRO 94 HG2 PRO 94 10.940 -9.610 -8.520 717 2HG PRO 94 HG3 PRO 94 9.774 -8.282 -8.241 718 1HD PRO 94 HD2 PRO 94 11.688 -8.891 -6.417 719 2HD PRO 94 HD3 PRO 94 10.034 -8.445 -5.883 720 HA PRO 95 HA PRO 95 7.818 -12.726 -8.322 721 1HB PRO 95 HB2 PRO 95 7.307 -15.224 -9.200 722 2HB PRO 95 HB3 PRO 95 8.134 -14.019 -10.228 723 1HG PRO 95 HG2 PRO 95 9.412 -16.209 -8.566 724 2HG PRO 95 HG3 PRO 95 9.718 -15.822 -10.283 725 1HD PRO 95 HD2 PRO 95 11.302 -14.878 -8.234 726 2HD PRO 95 HD3 PRO 95 10.996 -13.912 -9.702 727 H TYR 96 H TYR 96 6.198 -13.165 -6.850 728 HA TYR 96 HA TYR 96 6.888 -14.698 -4.429 729 1HB TYR 96 HB2 TYR 96 4.383 -13.198 -5.130 730 2HB TYR 96 HB3 TYR 96 4.804 -13.867 -3.558 731 HD1 TYR 96 HD2 TYR 96 6.930 -13.037 -2.384 732 HD2 TYR 96 HD1 TYR 96 5.257 -11.034 -5.816 733 HE1 TYR 96 HE2 TYR 96 8.455 -11.138 -2.016 734 HE2 TYR 96 HE1 TYR 96 6.816 -9.157 -5.471 735 HH TYR 96 HH TYR 96 9.174 -9.085 -2.778 736 H ALA 97 H ALA 97 5.596 -16.456 -3.711 737 HA ALA 97 HA ALA 97 4.764 -18.241 -5.890 738 1HB ALA 97 HB3 ALA 97 4.918 -18.604 -2.873 739 2HB ALA 97 HB1 ALA 97 4.444 -19.873 -4.023 740 3HB ALA 97 HB2 ALA 97 6.078 -19.179 -4.084 741 H VAL 98 H VAL 98 2.667 -19.169 -6.041 742 HA VAL 98 HA VAL 98 0.451 -17.430 -5.675 743 HB VAL 98 HB VAL 98 0.663 -20.421 -6.158 744 1HG1 VAL 98 HG11 VAL 98 -1.831 -18.664 -6.238 745 2HG1 VAL 98 HG12 VAL 98 -1.726 -20.318 -6.879 746 3HG1 VAL 98 HG13 VAL 98 -1.544 -20.037 -5.146 747 1HG2 VAL 98 HG21 VAL 98 1.515 -18.963 -7.979 748 2HG2 VAL 98 HG22 VAL 98 0.038 -19.808 -8.463 749 3HG2 VAL 98 HG23 VAL 98 -0.035 -18.096 -8.002 750 H MET 99 H MET 99 1.730 -20.115 -3.695 751 HA MET 99 HA MET 99 -0.269 -19.690 -1.583 752 1HB MET 99 HB2 MET 99 2.282 -21.363 -1.730 753 2HB MET 99 HB3 MET 99 1.239 -21.241 -0.307 754 1HG MET 99 HG2 MET 99 0.628 -23.235 -1.429 755 2HG MET 99 HG3 MET 99 -0.683 -22.079 -1.677 756 1HE MET 99 HE1 MET 99 -1.746 -23.621 -3.507 757 2HE MET 99 HE2 MET 99 -0.843 -24.293 -4.884 758 3HE MET 99 HE3 MET 99 -0.453 -24.816 -3.227 759 HA PRO 100 HA PRO 100 2.181 -16.168 -0.453 760 1HB PRO 100 HB2 PRO 100 1.053 -15.375 1.905 761 2HB PRO 100 HB3 PRO 100 0.219 -15.300 0.332 762 1HG PRO 100 HG2 PRO 100 0.013 -17.470 2.425 763 2HG PRO 100 HG3 PRO 100 -1.313 -16.585 1.613 764 1HD PRO 100 HD2 PRO 100 -0.438 -19.053 0.750 765 2HD PRO 100 HD3 PRO 100 -0.971 -17.804 -0.413 766 H VAL 101 H VAL 101 4.018 -17.776 -0.334 767 HA VAL 101 HA VAL 101 5.086 -18.334 2.349 768 HB VAL 101 HB VAL 101 6.486 -18.421 -0.362 769 1HG1 VAL 101 HG11 VAL 101 7.135 -19.747 2.319 770 2HG1 VAL 101 HG12 VAL 101 8.029 -19.973 0.803 771 3HG1 VAL 101 HG13 VAL 101 8.039 -18.400 1.603 772 1HG2 VAL 101 HG23 VAL 101 5.033 -20.618 1.183 773 2HG2 VAL 101 HG21 VAL 101 4.568 -19.968 -0.401 774 3HG2 VAL 101 HG22 VAL 101 6.068 -20.880 -0.236 775 H ILE 102 H ILE 102 4.440 -16.093 2.794 776 HA ILE 102 HA ILE 102 6.016 -13.856 1.798 777 HB ILE 102 HB ILE 102 4.567 -12.573 3.387 778 1HG1 ILE 102 HG12 ILE 102 2.431 -14.314 3.891 779 2HG1 ILE 102 HG13 ILE 102 3.797 -15.287 4.362 780 1HG2 ILE 102 HG22 ILE 102 4.020 -12.860 1.031 781 2HG2 ILE 102 HG23 ILE 102 3.142 -14.355 1.389 782 3HG2 ILE 102 HG21 ILE 102 2.554 -12.800 2.013 783 1HD1 ILE 102 HD11 ILE 102 3.290 -12.491 5.383 784 2HD1 ILE 102 HD13 ILE 102 2.932 -14.003 6.240 785 3HD1 ILE 102 HD12 ILE 102 4.609 -13.568 5.876 786 H ASP 103 H ASP 103 5.929 -15.741 4.790 787 HA ASP 103 HA ASP 103 7.054 -14.046 6.569 788 1HB ASP 103 HB2 ASP 103 7.683 -17.017 6.309 789 2HB ASP 103 HB3 ASP 103 7.881 -16.053 7.776 790 HD1 ASP 103 HD ASP 103 4.147 -16.966 6.561 791 HA PRO 104 HA PRO 104 8.550 -13.537 8.172 792 1HB PRO 104 HB2 PRO 104 10.408 -11.698 8.831 793 2HB PRO 104 HB3 PRO 104 10.776 -13.445 8.902 794 1HG PRO 104 HG2 PRO 104 11.403 -11.525 6.634 795 2HG PRO 104 HG3 PRO 104 12.538 -12.628 7.469 796 1HD PRO 104 HD2 PRO 104 11.278 -13.306 5.122 797 2HD PRO 104 HD3 PRO 104 11.611 -14.526 6.382 798 H ILE 105 H ILE 105 7.941 -11.223 8.896 799 HA ILE 105 HA ILE 105 7.491 -9.344 6.647 800 HB ILE 105 HB ILE 105 5.514 -10.268 8.750 801 1HG1 ILE 105 HG12 ILE 105 5.492 -11.591 6.703 802 2HG1 ILE 105 HG13 ILE 105 4.017 -10.648 6.889 803 1HG2 ILE 105 HG21 ILE 105 5.406 -7.735 7.083 804 2HG2 ILE 105 HG22 ILE 105 3.979 -8.479 7.829 805 3HG2 ILE 105 HG23 ILE 105 5.300 -7.899 8.844 806 1HD1 ILE 105 HD13 ILE 105 5.115 -8.928 5.248 807 2HD1 ILE 105 HD11 ILE 105 6.281 -10.226 4.912 808 3HD1 ILE 105 HD12 ILE 105 4.564 -10.476 4.595 809 H VAL 106 H VAL 106 7.754 -7.200 7.204 810 HA VAL 106 HA VAL 106 9.035 -6.714 9.863 811 HB VAL 106 HB VAL 106 9.094 -5.099 7.272 812 1HG1 VAL 106 HG13 VAL 106 10.477 -4.621 9.956 813 2HG1 VAL 106 HG11 VAL 106 10.764 -3.705 8.463 814 3HG1 VAL 106 HG12 VAL 106 9.194 -3.606 9.268 815 1HG2 VAL 106 HG22 VAL 106 10.485 -7.159 7.202 816 2HG2 VAL 106 HG23 VAL 106 11.475 -5.694 7.251 817 3HG2 VAL 106 HG21 VAL 106 11.266 -6.670 8.717 818 H ALA 107 H ALA 107 7.158 -4.630 7.700 819 HA ALA 107 HA ALA 107 5.269 -3.999 9.943 820 1HB ALA 107 HB2 ALA 107 6.480 -2.007 9.205 821 2HB ALA 107 HB3 ALA 107 5.976 -2.292 7.527 822 3HB ALA 107 HB1 ALA 107 4.764 -1.915 8.771 823 H GLY 108 H GLY 108 2.887 -3.949 9.228 824 1HA GLY 108 HA2 GLY 108 2.199 -4.367 6.594 825 2HA GLY 108 HA3 GLY 108 2.326 -6.009 7.298 826 H THR 109 H THR 109 -0.040 -5.363 6.295 827 HA THR 109 HA THR 109 -1.740 -4.858 8.681 828 HB THR 109 HB THR 109 -3.409 -3.984 6.899 829 HG1 THR 109 HG1 THR 109 -0.972 -3.847 5.439 830 1HG2 THR 109 HG21 THR 109 -0.814 -2.475 7.408 831 2HG2 THR 109 HG22 THR 109 -2.347 -1.759 6.859 832 3HG2 THR 109 HG23 THR 109 -2.224 -2.488 8.475 833 H GLY 110 H GLY 110 -2.781 -6.599 9.299 834 1HA GLY 110 HA2 GLY 110 -2.980 -8.996 7.697 835 2HA GLY 110 HA3 GLY 110 -3.570 -8.702 9.340 836 H PHE 111 H PHE 111 -4.199 -7.516 6.057 837 HA PHE 111 HA PHE 111 -5.960 -7.520 4.693 838 1HB PHE 111 HB2 PHE 111 -7.577 -9.008 6.755 839 2HB PHE 111 HB3 PHE 111 -7.885 -8.956 5.061 840 HD1 PHE 111 HD2 PHE 111 -5.826 -9.784 3.488 841 HD2 PHE 111 HD1 PHE 111 -6.400 -10.901 7.613 842 HE1 PHE 111 HE2 PHE 111 -4.291 -11.714 3.189 843 HE2 PHE 111 HE1 PHE 111 -4.848 -12.804 7.312 844 HZ PHE 111 HZ PHE 111 -3.788 -13.215 5.099 845 H SER 112 H SER 112 -6.494 -5.396 4.468 846 HA SER 112 HA SER 112 -7.635 -3.877 6.655 847 1HB SER 112 HB2 SER 112 -7.610 -2.000 5.077 848 2HB SER 112 HB3 SER 112 -6.083 -2.855 5.124 849 HG SER 112 HG SER 112 -6.568 -3.819 3.183 850 HA PRO 113 HA PRO 113 -11.852 -4.342 6.419 851 1HB PRO 113 HB2 PRO 113 -12.326 -1.567 5.310 852 2HB PRO 113 HB3 PRO 113 -13.178 -2.375 6.655 853 1HG PRO 113 HG2 PRO 113 -11.218 -0.604 7.211 854 2HG PRO 113 HG3 PRO 113 -11.245 -2.173 8.068 855 1HD PRO 113 HD2 PRO 113 -9.614 -1.367 5.665 856 2HD PRO 113 HD3 PRO 113 -9.060 -2.191 7.156 857 H VAL 114 H VAL 114 -13.903 -4.450 5.307 858 HA VAL 114 HA VAL 114 -13.866 -4.466 2.318 859 HB VAL 114 HB VAL 114 -15.030 -6.506 4.260 860 1HG1 VAL 114 HG11 VAL 114 -15.465 -6.061 1.295 861 2HG1 VAL 114 HG12 VAL 114 -15.743 -7.641 2.071 862 3HG1 VAL 114 HG13 VAL 114 -16.698 -6.234 2.552 863 1HG2 VAL 114 HG23 VAL 114 -12.964 -6.732 2.024 864 2HG2 VAL 114 HG21 VAL 114 -12.628 -6.808 3.768 865 3HG2 VAL 114 HG22 VAL 114 -13.592 -8.076 3.001 866 HA PRO 115 HA PRO 115 -16.978 -1.577 4.013 867 1HB PRO 115 HB2 PRO 115 -16.519 -0.288 1.323 868 2HB PRO 115 HB3 PRO 115 -16.592 0.494 2.927 869 1HG PRO 115 HG2 PRO 115 -14.249 0.091 1.686 870 2HG PRO 115 HG3 PRO 115 -14.386 -0.253 3.442 871 1HD PRO 115 HD2 PRO 115 -14.518 -2.208 1.123 872 2HD PRO 115 HD3 PRO 115 -13.535 -2.264 2.611 873 H LYS 116 H LYS 116 -18.723 -0.281 2.473 874 HA LYS 116 HA LYS 116 -20.143 -2.110 0.667 875 1HB LYS 116 HB2 LYS 116 -21.468 -0.538 2.933 876 2HB LYS 116 HB3 LYS 116 -22.282 -1.525 1.704 877 1HG LYS 116 HG2 LYS 116 -20.974 -3.522 2.563 878 2HG LYS 116 HG3 LYS 116 -20.401 -2.504 3.896 879 1HD LYS 116 HD2 LYS 116 -22.804 -2.038 4.512 880 2HD LYS 116 HD3 LYS 116 -23.309 -3.211 3.284 881 1HE LYS 116 HE2 LYS 116 -21.541 -3.785 5.716 882 2HE LYS 116 HE3 LYS 116 -23.250 -4.216 5.548 883 1HZ LYS 116 HZ2 LYS 116 -22.649 -5.619 3.703 884 2HZ LYS 116 HZ3 LYS 116 -21.056 -5.235 3.885 885 3HZ LYS 116 HZ1 LYS 116 -21.845 -6.059 5.072 886 H ASP 117 H ASP 117 -21.869 -0.570 -0.444 887 HA ASP 117 HA ASP 117 -20.423 1.234 -1.937 888 1HB ASP 117 HB2 ASP 117 -22.596 0.348 -2.662 889 2HB ASP 117 HB3 ASP 117 -23.423 1.288 -1.399 890 HD1 ASP 117 HD ASP 117 -21.746 3.517 -4.295 891 H GLY 118 H GLY 118 -20.294 3.501 -2.116 892 1HA GLY 118 HA2 GLY 118 -20.198 5.686 -1.397 893 2HA GLY 118 HA3 GLY 118 -21.281 5.294 -0.058 894 H LYS 119 H LYS 119 -19.722 3.287 1.239 895 HA LYS 119 HA LYS 119 -17.879 5.013 2.679 896 1HB LYS 119 HB2 LYS 119 -18.616 2.084 3.093 897 2HB LYS 119 HB3 LYS 119 -17.672 3.087 4.209 898 1HG LYS 119 HG2 LYS 119 -19.622 4.637 4.427 899 2HG LYS 119 HG3 LYS 119 -20.578 3.556 3.390 900 1HD LYS 119 HD2 LYS 119 -20.234 1.702 5.009 901 2HD LYS 119 HD3 LYS 119 -19.286 2.787 6.051 902 1HE LYS 119 HE2 LYS 119 -21.276 4.277 6.288 903 2HE LYS 119 HE3 LYS 119 -22.219 3.172 5.268 904 1HZ LYS 119 HZ2 LYS 119 -21.867 1.469 6.907 905 2HZ LYS 119 HZ3 LYS 119 -20.997 2.501 7.854 906 3HZ LYS 119 HZ1 LYS 119 -22.596 2.784 7.579 907 H PHE 120 H PHE 120 -15.665 4.484 3.120 908 HA PHE 120 HA PHE 120 -14.265 2.835 1.053 909 1HB PHE 120 HB2 PHE 120 -14.097 5.741 1.677 910 2HB PHE 120 HB3 PHE 120 -12.586 4.965 1.288 911 HD1 PHE 120 HD1 PHE 120 -16.037 5.572 0.038 912 HD2 PHE 120 HD2 PHE 120 -12.304 3.759 -0.925 913 HE1 PHE 120 HE1 PHE 120 -16.798 5.235 -2.287 914 HE2 PHE 120 HE2 PHE 120 -12.934 3.688 -3.323 915 HZ PHE 120 HZ PHE 120 -15.193 4.476 -4.017 916 H GLY 121 H GLY 121 -12.994 1.440 1.993 917 1HA GLY 121 HA2 GLY 121 -12.494 1.441 4.867 918 2HA GLY 121 HA3 GLY 121 -12.039 0.201 3.687 919 H TYR 122 H TYR 122 -10.790 2.545 5.729 920 HA TYR 122 HA TYR 122 -8.292 2.634 4.142 921 1HB TYR 122 HB2 TYR 122 -7.701 4.761 4.967 922 2HB TYR 122 HB3 TYR 122 -9.287 4.885 4.250 923 HD1 TYR 122 HD2 TYR 122 -7.195 5.074 7.265 924 HD2 TYR 122 HD1 TYR 122 -11.178 5.525 5.705 925 HE1 TYR 122 HE2 TYR 122 -7.742 6.614 9.121 926 HE2 TYR 122 HE1 TYR 122 -11.754 7.007 7.622 927 HH TYR 122 HH TYR 122 -10.999 8.037 9.520 928 H THR 123 H THR 123 -6.353 2.846 5.436 929 HA THR 123 HA THR 123 -6.527 1.989 8.177 930 HB THR 123 HB THR 123 -5.354 0.203 6.012 931 HG1 THR 123 HG1 THR 123 -7.636 0.185 7.258 932 1HG2 THR 123 HG22 THR 123 -4.909 0.045 9.004 933 2HG2 THR 123 HG23 THR 123 -4.531 -1.242 7.834 934 3HG2 THR 123 HG21 THR 123 -3.673 0.307 7.756 935 H ASP 124 H ASP 124 -4.968 3.072 9.207 936 HA ASP 124 HA ASP 124 -2.718 4.307 7.632 937 1HB ASP 124 HB2 ASP 124 -4.498 5.430 9.797 938 2HB ASP 124 HB3 ASP 124 -2.799 5.915 9.724 939 HD2 ASP 124 HD ASP 124 -2.941 7.567 6.738 940 H PHE 125 H PHE 125 -1.290 2.595 7.932 941 HA PHE 125 HA PHE 125 -0.638 1.983 10.788 942 1HB PHE 125 HB2 PHE 125 0.296 -0.027 10.217 943 2HB PHE 125 HB3 PHE 125 -1.270 0.046 9.437 944 HD1 PHE 125 HD2 PHE 125 -1.315 0.486 6.867 945 HD2 PHE 125 HD1 PHE 125 2.352 -0.285 9.012 946 HE1 PHE 125 HE2 PHE 125 -0.313 -0.469 4.818 947 HE2 PHE 125 HE1 PHE 125 3.397 -1.081 6.910 948 HZ PHE 125 HZ PHE 125 2.072 -1.199 4.830 949 H THR 126 H THR 126 1.478 2.203 11.446 950 HA THR 126 HA THR 126 3.003 4.210 9.891 951 HB THR 126 HB THR 126 2.981 3.723 12.891 952 HG1 THR 126 HG1 THR 126 0.990 4.510 12.042 953 1HG2 THR 126 HG21 THR 126 4.093 5.983 11.176 954 2HG2 THR 126 HG22 THR 126 3.973 6.019 12.946 955 3HG2 THR 126 HG23 THR 126 5.047 4.851 12.162 956 H TRP 127 H TRP 127 5.314 3.956 9.742 957 HA TRP 127 HA TRP 127 6.582 1.670 11.051 958 1HB TRP 127 HB2 TRP 127 5.782 0.710 8.933 959 2HB TRP 127 HB3 TRP 127 6.472 2.043 8.024 960 HD1 TRP 127 HD1 TRP 127 8.216 -0.127 10.669 961 HE1 TRP 127 HE1 TRP 127 10.246 -1.290 9.649 962 HE3 TRP 127 HE3 TRP 127 7.657 1.406 5.825 963 HZ2 TRP 127 HZ2 TRP 127 11.437 -1.592 7.004 964 HZ3 TRP 127 HZ3 TRP 127 9.404 0.812 4.133 965 HH2 TRP 127 HH2 TRP 127 11.190 -0.728 4.671 966 H HIS 128 H HIS 128 8.795 1.924 11.300 967 HA HIS 128 HA HIS 128 10.014 4.530 10.501 968 1HB HIS 128 HB2 HIS 128 10.385 2.900 13.025 969 2HB HIS 128 HB3 HIS 128 11.486 4.172 12.483 970 HD1 HIS 128 HD1 HIS 128 8.194 3.796 14.268 971 HD2 HIS 128 HD2 HIS 128 10.264 6.680 11.995 972 HE1 HIS 128 HE1 HIS 128 6.950 6.022 14.589 973 HE2 HIS 128 HE2 HIS 128 8.221 7.765 13.181 974 HA PRO 129 HA PRO 129 12.017 1.114 8.321 975 1HB PRO 129 HB2 PRO 129 12.675 2.348 6.057 976 2HB PRO 129 HB3 PRO 129 10.965 2.182 6.530 977 1HG PRO 129 HG2 PRO 129 12.734 4.613 6.885 978 2HG PRO 129 HG3 PRO 129 11.092 4.536 6.201 979 1HD PRO 129 HD2 PRO 129 11.670 5.083 8.862 980 2HD PRO 129 HD3 PRO 129 10.115 4.357 8.299 981 H THR 130 H THR 130 14.027 0.278 8.504 982 HA THR 130 HA THR 130 16.410 1.902 9.029 983 HB THR 130 HB THR 130 17.294 -0.605 8.971 984 HG1 THR 130 HG1 THR 130 15.434 -1.531 8.024 985 1HG2 THR 130 HG21 THR 130 15.269 0.314 11.067 986 2HG2 THR 130 HG22 THR 130 16.470 -0.976 11.277 987 3HG2 THR 130 HG23 THR 130 17.004 0.703 11.056 988 H ALA 131 H ALA 131 18.325 1.580 7.517 989 HA ALA 131 HA ALA 131 17.502 2.188 4.907 990 1HB ALA 131 HB3 ALA 131 19.593 2.980 5.897 991 2HB ALA 131 HB1 ALA 131 20.275 1.339 5.770 992 3HB ALA 131 HB2 ALA 131 19.840 2.256 4.305 993 H GLY 132 H GLY 132 18.253 1.132 2.885 994 1HA GLY 132 HA2 GLY 132 19.076 -0.728 1.667 995 2HA GLY 132 HA3 GLY 132 18.444 -1.853 2.894 996 H THR 133 H THR 133 17.723 -2.737 0.656 997 HA THR 133 HA THR 133 15.379 -1.444 -0.524 998 HB THR 133 HB THR 133 16.666 -4.124 -1.172 999 HG1 THR 133 HG1 THR 133 17.229 -1.529 -2.171 1000 1HG2 THR 133 HG21 THR 133 14.945 -2.212 -2.828 1001 2HG2 THR 133 HG22 THR 133 15.730 -3.687 -3.430 1002 3HG2 THR 133 HG23 THR 133 14.449 -3.802 -2.213 1003 H TYR 134 H TYR 134 13.279 -2.186 -0.305 1004 HA TYR 134 HA TYR 134 12.715 -4.631 1.247 1005 1HB TYR 134 HB2 TYR 134 11.454 -1.921 1.777 1006 2HB TYR 134 HB3 TYR 134 10.889 -3.414 2.465 1007 HD1 TYR 134 HD1 TYR 134 13.755 -1.058 2.230 1008 HD2 TYR 134 HD2 TYR 134 11.730 -3.986 4.645 1009 HE1 TYR 134 HE1 TYR 134 15.289 -0.591 4.071 1010 HE2 TYR 134 HE2 TYR 134 13.291 -3.503 6.511 1011 HH TYR 134 HH TYR 134 16.229 -1.490 5.946 1012 H TYR 135 H TYR 135 10.309 -5.140 0.897 1013 HA TYR 135 HA TYR 135 9.288 -4.211 -1.708 1014 1HB TYR 135 HB2 TYR 135 9.623 -7.106 -0.850 1015 2HB TYR 135 HB3 TYR 135 8.633 -6.574 -2.204 1016 HD1 TYR 135 HD1 TYR 135 12.136 -6.760 -0.945 1017 HD2 TYR 135 HD2 TYR 135 9.591 -6.073 -4.344 1018 HE1 TYR 135 HE1 TYR 135 14.101 -6.936 -2.440 1019 HE2 TYR 135 HE2 TYR 135 11.553 -6.258 -5.848 1020 HH TYR 135 HH TYR 135 13.836 -6.597 -5.992 1021 H TYR 136 H TYR 136 6.977 -4.315 -1.802 1022 HA TYR 136 HA TYR 136 5.631 -5.027 0.764 1023 1HB TYR 136 HB2 TYR 136 3.914 -3.415 0.298 1024 2HB TYR 136 HB3 TYR 136 5.483 -2.664 0.551 1025 HD1 TYR 136 HD2 TYR 136 2.790 -3.291 -1.915 1026 HD2 TYR 136 HD1 TYR 136 6.646 -1.482 -1.249 1027 HE1 TYR 136 HE2 TYR 136 2.441 -1.775 -3.876 1028 HE2 TYR 136 HE1 TYR 136 6.237 0.071 -3.130 1029 HH TYR 136 HH TYR 136 4.896 0.418 -4.994 1030 H VAL 137 H VAL 137 3.920 -6.420 0.603 1031 HA VAL 137 HA VAL 137 2.916 -7.237 -2.069 1032 HB VAL 137 HB VAL 137 3.148 -9.595 -1.478 1033 1HG1 VAL 137 HG13 VAL 137 5.845 -8.185 -1.361 1034 2HG1 VAL 137 HG11 VAL 137 5.556 -9.897 -1.701 1035 3HG1 VAL 137 HG12 VAL 137 4.936 -8.678 -2.813 1036 1HG2 VAL 137 HG21 VAL 137 4.734 -8.668 0.968 1037 2HG2 VAL 137 HG22 VAL 137 3.157 -9.490 0.997 1038 3HG2 VAL 137 HG23 VAL 137 4.584 -10.338 0.405 1039 H CYS 138 H CYS 138 0.886 -8.301 -1.973 1040 HA CYS 138 HA CYS 138 -0.739 -7.867 0.490 1041 1HB CYS 138 HB2 CYS 138 -1.703 -7.007 -1.515 1042 2HB CYS 138 HB3 CYS 138 -1.379 -8.502 -2.397 1043 H GLN 139 H GLN 139 -0.731 -9.518 1.894 1044 HA GLN 139 HA GLN 139 0.251 -12.130 1.403 1045 1HB GLN 139 HB2 GLN 139 -1.198 -10.716 3.623 1046 2HB GLN 139 HB3 GLN 139 -1.146 -12.480 3.680 1047 1HG GLN 139 HG2 GLN 139 1.197 -12.525 3.738 1048 2HG GLN 139 HG3 GLN 139 1.362 -10.829 3.264 1049 1HE2 GLN 139 HE21 GLN 139 -0.079 -11.361 7.097 1050 2HE2 GLN 139 HE22 GLN 139 -0.855 -12.219 5.780 1051 H ILE 140 H ILE 140 -2.883 -11.019 0.450 1052 HA ILE 140 HA ILE 140 -4.312 -13.458 0.892 1053 HB ILE 140 HB ILE 140 -4.664 -11.376 -1.275 1054 1HG1 ILE 140 HG12 ILE 140 -5.992 -11.857 1.432 1055 2HG1 ILE 140 HG13 ILE 140 -5.014 -10.457 0.958 1056 1HG2 ILE 140 HG22 ILE 140 -5.650 -13.592 -1.933 1057 2HG2 ILE 140 HG23 ILE 140 -6.585 -13.585 -0.423 1058 3HG2 ILE 140 HG21 ILE 140 -6.863 -12.365 -1.679 1059 1HD1 ILE 140 HD13 ILE 140 -6.806 -9.894 -0.745 1060 2HD1 ILE 140 HD11 ILE 140 -7.799 -11.190 -0.026 1061 3HD1 ILE 140 HD12 ILE 140 -7.319 -9.816 0.955 1062 HA PRO 141 HA PRO 141 -1.874 -16.158 -1.720 1063 1HB PRO 141 HB2 PRO 141 -4.608 -17.342 -2.292 1064 2HB PRO 141 HB3 PRO 141 -3.075 -18.212 -1.990 1065 1HG PRO 141 HG2 PRO 141 -4.904 -17.913 0.003 1066 2HG PRO 141 HG3 PRO 141 -3.172 -17.670 0.352 1067 1HD PRO 141 HD2 PRO 141 -5.302 -15.593 -0.062 1068 2HD PRO 141 HD3 PRO 141 -3.914 -15.608 1.067 1069 H GLY 142 H GLY 142 -1.376 -16.425 -3.911 1070 1HA GLY 142 HA2 GLY 142 -1.466 -16.109 -6.181 1071 2HA GLY 142 HA3 GLY 142 -3.175 -15.687 -6.046 1072 H HIS 143 H HIS 143 -2.964 -13.415 -4.329 1073 HA HIS 143 HA HIS 143 -2.764 -11.422 -6.245 1074 1HB HIS 143 HB2 HIS 143 -2.542 -11.167 -3.231 1075 2HB HIS 143 HB3 HIS 143 -2.691 -9.823 -4.357 1076 HD2 HIS 143 HD2 HIS 143 -4.898 -12.808 -5.300 1077 HE1 HIS 143 HE1 HIS 143 -7.458 -9.966 -3.494 1078 HE2 HIS 143 HE2 HIS 143 -7.350 -12.126 -4.793 1079 H ALA 144 H ALA 144 -0.232 -12.007 -3.711 1080 HA ALA 144 HA ALA 144 1.606 -10.098 -4.651 1081 1HB ALA 144 HB3 ALA 144 1.849 -11.371 -2.536 1082 2HB ALA 144 HB1 ALA 144 2.362 -12.798 -3.470 1083 3HB ALA 144 HB2 ALA 144 3.325 -11.305 -3.518 1084 H ALA 145 H ALA 145 1.342 -13.564 -5.547 1085 HA ALA 145 HA ALA 145 3.446 -13.711 -7.399 1086 1HB ALA 145 HB2 ALA 145 2.210 -15.659 -6.449 1087 2HB ALA 145 HB3 ALA 145 0.822 -15.276 -7.477 1088 3HB ALA 145 HB1 ALA 145 2.367 -15.738 -8.208 1089 H THR 146 H THR 146 0.041 -12.777 -7.905 1090 HA THR 146 HA THR 146 0.481 -12.382 -10.777 1091 HB THR 146 HB THR 146 -1.929 -11.643 -10.740 1092 HG1 THR 146 HG1 THR 146 -1.800 -12.695 -8.103 1093 1HG2 THR 146 HG21 THR 146 -1.243 -14.408 -9.637 1094 2HG2 THR 146 HG22 THR 146 -2.761 -13.943 -10.432 1095 3HG2 THR 146 HG23 THR 146 -1.245 -13.928 -11.350 1096 H GLY 147 H GLY 147 1.722 -10.578 -8.410 1097 1HA GLY 147 HA2 GLY 147 2.907 -8.695 -9.026 1098 2HA GLY 147 HA3 GLY 147 1.716 -8.243 -10.233 1099 H MET 148 H MET 148 0.311 -8.994 -7.082 1100 HA MET 148 HA MET 148 -0.242 -6.133 -6.709 1101 1HB MET 148 HB3 MET 148 -1.860 -7.916 -6.198 1102 2HB MET 148 HB2 MET 148 -0.877 -8.467 -4.828 1103 1HG MET 148 HG2 MET 148 -1.405 -6.396 -3.671 1104 2HG MET 148 HG3 MET 148 -1.772 -5.616 -5.193 1105 1HE MET 148 HE1 MET 148 -3.786 -4.679 -5.383 1106 2HE MET 148 HE3 MET 148 -5.262 -5.113 -4.479 1107 3HE MET 148 HE2 MET 148 -3.790 -4.641 -3.593 1108 H PHE 149 H PHE 149 2.134 -5.589 -6.653 1109 HA PHE 149 HA PHE 149 3.148 -5.641 -3.913 1110 1HB PHE 149 HB2 PHE 149 4.982 -7.023 -4.220 1111 2HB PHE 149 HB3 PHE 149 3.861 -7.805 -5.284 1112 HD1 PHE 149 HD1 PHE 149 3.946 -6.767 -7.843 1113 HD2 PHE 149 HD2 PHE 149 7.152 -6.615 -4.965 1114 HE1 PHE 149 HE1 PHE 149 5.578 -6.449 -9.675 1115 HE2 PHE 149 HE2 PHE 149 8.775 -6.280 -6.794 1116 HZ PHE 149 HZ PHE 149 7.997 -6.207 -9.161 1117 H GLY 150 H GLY 150 5.723 -4.759 -4.277 1118 1HA GLY 150 HA2 GLY 150 6.514 -2.958 -6.283 1119 2HA GLY 150 HA3 GLY 150 5.538 -2.027 -5.164 1120 H LYS 151 H LYS 151 7.928 -1.224 -5.230 1121 HA LYS 151 HA LYS 151 9.715 -2.755 -3.372 1122 1HB LYS 151 HB2 LYS 151 10.183 -1.212 -5.908 1123 2HB LYS 151 HB3 LYS 151 11.502 -1.464 -4.747 1124 1HG LYS 151 HG2 LYS 151 11.557 -3.719 -5.037 1125 2HG LYS 151 HG3 LYS 151 9.906 -3.865 -5.662 1126 1HD LYS 151 HD2 LYS 151 11.897 -2.254 -7.271 1127 2HD LYS 151 HD3 LYS 151 12.067 -4.010 -7.265 1128 1HE LYS 151 HE2 LYS 151 10.690 -3.216 -9.169 1129 2HE LYS 151 HE3 LYS 151 9.820 -4.339 -8.114 1130 1HZ LYS 151 HZ3 LYS 151 9.550 -1.414 -8.073 1131 2HZ LYS 151 HZ1 LYS 151 8.475 -2.481 -8.730 1132 3HZ LYS 151 HZ2 LYS 151 8.742 -2.474 -7.106 1133 H ILE 152 H ILE 152 11.006 -1.583 -1.990 1134 HA ILE 152 HA ILE 152 10.443 1.310 -1.556 1135 HB ILE 152 HB ILE 152 10.338 -1.048 0.289 1136 1HG1 ILE 152 HG12 ILE 152 8.690 1.422 0.653 1137 2HG1 ILE 152 HG13 ILE 152 8.276 0.279 -0.640 1138 1HG2 ILE 152 HG23 ILE 152 11.129 1.789 1.093 1139 2HG2 ILE 152 HG21 ILE 152 10.599 0.556 2.254 1140 3HG2 ILE 152 HG22 ILE 152 12.065 0.300 1.325 1141 1HD1 ILE 152 HD11 ILE 152 8.585 -0.491 2.301 1142 2HD1 ILE 152 HD12 ILE 152 7.050 -0.229 1.448 1143 3HD1 ILE 152 HD13 ILE 152 8.115 -1.562 0.969 1144 H VAL 153 H VAL 153 12.390 2.416 -1.240 1145 HA VAL 153 HA VAL 153 14.889 0.843 -0.785 1146 HB VAL 153 HB VAL 153 14.599 3.240 -2.607 1147 1HG1 VAL 153 HG13 VAL 153 16.901 1.306 -1.988 1148 2HG1 VAL 153 HG11 VAL 153 16.947 2.527 -3.282 1149 3HG1 VAL 153 HG12 VAL 153 16.820 3.033 -1.593 1150 1HG2 VAL 153 HG23 VAL 153 14.868 0.284 -3.342 1151 2HG2 VAL 153 HG21 VAL 153 13.501 1.351 -3.735 1152 3HG2 VAL 153 HG22 VAL 153 15.073 1.626 -4.488 1153 H VAL 154 H VAL 154 15.409 1.424 1.249 1154 HA VAL 154 HA VAL 154 14.745 4.148 2.203 1155 HB VAL 154 HB VAL 154 15.675 1.725 3.743 1156 1HG1 VAL 154 HG12 VAL 154 15.997 3.983 4.795 1157 2HG1 VAL 154 HG13 VAL 154 14.272 4.316 4.561 1158 3HG1 VAL 154 HG11 VAL 154 14.790 3.035 5.666 1159 1HG2 VAL 154 HG23 VAL 154 13.521 1.257 2.614 1160 2HG2 VAL 154 HG21 VAL 154 13.394 1.304 4.352 1161 3HG2 VAL 154 HG22 VAL 154 12.813 2.690 3.385 1162 H LYS 155 H LYS 155 16.419 5.609 1.949 1163 HA LYS 155 HA LYS 155 19.098 4.846 2.902 1164 1HB LYS 155 HB2 LYS 155 18.781 5.962 0.084 1165 2HB LYS 155 HB3 LYS 155 20.294 5.711 0.984 1166 1HG LYS 155 HG2 LYS 155 19.853 3.276 1.048 1167 2HG LYS 155 HG3 LYS 155 18.413 3.522 0.038 1168 1HD LYS 155 HD2 LYS 155 19.837 4.563 -1.724 1169 2HD LYS 155 HD3 LYS 155 21.279 4.227 -0.752 1170 1HE LYS 155 HE2 LYS 155 19.337 2.143 -1.869 1171 2HE LYS 155 HE3 LYS 155 20.934 2.530 -2.524 1172 1HZ LYS 155 HZ2 LYS 155 21.891 1.803 -0.458 1173 2HZ LYS 155 HZ3 LYS 155 20.403 1.416 0.139 1174 3HZ LYS 155 HZ1 LYS 155 21.008 0.601 -1.157 No H/Q in entry = 1174 Start of MODEL 5 1 H GLY 1 H GLY 1 -1.896 -5.930 15.486 2 1HA GLY 1 HA2 GLY 1 -0.481 -6.758 17.694 3 2HA GLY 1 HA3 GLY 1 -2.099 -7.436 17.980 4 H THR 2 H THR 2 -3.107 -8.464 15.889 5 HA THR 2 HA THR 2 -1.267 -10.438 14.712 6 HB THR 2 HB THR 2 -3.429 -11.028 13.502 7 HG1 THR 2 HG1 THR 2 -4.291 -8.916 13.654 8 1HG2 THR 2 HG22 THR 2 -2.839 -12.137 15.654 9 2HG2 THR 2 HG23 THR 2 -3.667 -10.843 16.546 10 3HG2 THR 2 HG21 THR 2 -4.592 -11.917 15.482 11 H LEU 3 H LEU 3 0.124 -8.628 13.972 12 HA LEU 3 HA LEU 3 0.918 -7.081 12.556 13 1HB LEU 3 HB2 LEU 3 -0.825 -8.763 10.910 14 2HB LEU 3 HB3 LEU 3 -0.490 -7.219 10.130 15 HG LEU 3 HG LEU 3 1.719 -8.930 11.402 16 1HD1 LEU 3 HD13 LEU 3 0.528 -9.263 8.621 17 2HD1 LEU 3 HD11 LEU 3 2.075 -9.963 9.153 18 3HD1 LEU 3 HD12 LEU 3 0.558 -10.467 9.924 19 1HD2 LEU 3 HD21 LEU 3 2.200 -6.563 10.649 20 2HD2 LEU 3 HD22 LEU 3 3.178 -7.810 9.858 21 3HD2 LEU 3 HD23 LEU 3 1.807 -7.089 8.998 22 H ASP 4 H ASP 4 -0.237 -5.150 10.864 23 HA ASP 4 HA ASP 4 -1.391 -3.520 12.966 24 1HB ASP 4 HB2 ASP 4 0.056 -2.498 11.272 25 2HB ASP 4 HB3 ASP 4 -1.118 -2.914 10.008 26 HD2 ASP 4 HD ASP 4 -1.957 0.041 12.589 27 H THR 5 H THR 5 -3.498 -3.220 13.443 28 HA THR 5 HA THR 5 -5.561 -3.849 11.403 29 HB THR 5 HB THR 5 -6.983 -4.718 13.189 30 HG1 THR 5 HG1 THR 5 -6.166 -3.574 14.909 31 1HG2 THR 5 HG23 THR 5 -5.451 -6.314 11.995 32 2HG2 THR 5 HG21 THR 5 -4.272 -6.115 13.310 33 3HG2 THR 5 HG22 THR 5 -5.862 -6.814 13.649 34 H THR 6 H THR 6 -4.400 -1.288 11.687 35 HA THR 6 HA THR 6 -6.143 0.318 13.419 36 HB THR 6 HB THR 6 -4.093 1.227 11.350 37 HG1 THR 6 HG1 THR 6 -3.839 0.670 14.108 38 1HG2 THR 6 HG23 THR 6 -5.318 2.586 13.790 39 2HG2 THR 6 HG21 THR 6 -4.049 3.264 12.733 40 3HG2 THR 6 HG22 THR 6 -5.682 2.985 12.103 41 H TRP 7 H TRP 7 -7.919 -0.855 12.343 42 HA TRP 7 HA TRP 7 -8.672 -0.270 9.578 43 1HB TRP 7 HB2 TRP 7 -10.168 -1.542 11.915 44 2HB TRP 7 HB3 TRP 7 -10.690 -1.571 10.242 45 HD1 TRP 7 HD1 TRP 7 -10.559 -4.170 11.729 46 HE1 TRP 7 HE1 TRP 7 -9.040 -6.084 11.005 47 HE3 TRP 7 HE3 TRP 7 -6.918 -1.489 9.282 48 HZ2 TRP 7 HZ2 TRP 7 -6.585 -6.415 9.513 49 HZ3 TRP 7 HZ3 TRP 7 -5.141 -2.652 8.066 50 HH2 TRP 7 HH2 TRP 7 -4.990 -5.127 8.141 51 H LYS 8 H LYS 8 -9.693 1.590 8.918 52 HA LYS 8 HA LYS 8 -11.941 2.577 10.537 53 1HB LYS 8 HB2 LYS 8 -9.704 4.308 9.369 54 2HB LYS 8 HB3 LYS 8 -11.191 4.940 10.091 55 1HG LYS 8 HG2 LYS 8 -9.049 3.383 11.601 56 2HG LYS 8 HG3 LYS 8 -9.175 5.140 11.508 57 1HD LYS 8 HD2 LYS 8 -11.389 5.101 12.594 58 2HD LYS 8 HD3 LYS 8 -11.366 3.332 12.630 59 1HE LYS 8 HE2 LYS 8 -10.761 4.172 14.818 60 2HE LYS 8 HE3 LYS 8 -9.372 3.352 14.090 61 1HZ LYS 8 HZ1 LYS 8 -9.809 6.261 14.155 62 2HZ LYS 8 HZ2 LYS 8 -8.778 5.423 15.129 63 3HZ LYS 8 HZ3 LYS 8 -8.496 5.502 13.508 64 H GLU 9 H GLU 9 -13.206 4.196 9.014 65 HA GLU 9 HA GLU 9 -12.682 3.585 6.200 66 1HB GLU 9 HB2 GLU 9 -15.557 3.548 7.011 67 2HB GLU 9 HB3 GLU 9 -14.746 3.095 5.501 68 1HG GLU 9 HG2 GLU 9 -15.419 1.036 6.576 69 2HG GLU 9 HG3 GLU 9 -13.671 1.142 6.827 70 HE2 GLU 9 HE GLU 9 -14.204 0.686 10.190 71 H ALA 10 H ALA 10 -12.760 5.360 5.022 72 HA ALA 10 HA ALA 10 -13.834 7.912 6.150 73 1HB ALA 10 HB3 ALA 10 -11.409 7.727 5.353 74 2HB ALA 10 HB1 ALA 10 -12.043 7.463 3.715 75 3HB ALA 10 HB2 ALA 10 -12.364 8.978 4.596 76 H THR 11 H THR 11 -14.325 9.014 3.456 77 HA THR 11 HA THR 11 -16.126 7.066 2.174 78 HB THR 11 HB THR 11 -17.916 8.700 1.972 79 HG1 THR 11 HG1 THR 11 -16.290 10.325 3.685 80 1HG2 THR 11 HG23 THR 11 -18.027 7.304 3.980 81 2HG2 THR 11 HG21 THR 11 -17.095 8.505 4.902 82 3HG2 THR 11 HG22 THR 11 -18.694 8.918 4.263 83 H LEU 12 H LEU 12 -16.850 7.928 -0.008 84 HA LEU 12 HA LEU 12 -14.868 8.014 -1.721 85 1HB LEU 12 HB2 LEU 12 -17.220 7.862 -2.276 86 2HB LEU 12 HB3 LEU 12 -17.428 9.593 -2.128 87 HG LEU 12 HG LEU 12 -15.266 8.645 -4.002 88 1HD1 LEU 12 HD13 LEU 12 -18.235 8.377 -4.638 89 2HD1 LEU 12 HD11 LEU 12 -16.902 8.200 -5.800 90 3HD1 LEU 12 HD12 LEU 12 -17.072 7.041 -4.473 91 1HD2 LEU 12 HD23 LEU 12 -17.444 10.784 -4.187 92 2HD2 LEU 12 HD21 LEU 12 -15.732 11.070 -3.817 93 3HD2 LEU 12 HD22 LEU 12 -16.205 10.478 -5.413 94 HA PRO 13 HA PRO 13 -14.092 12.673 -2.325 95 1HB PRO 13 HB2 PRO 13 -14.736 14.466 -0.316 96 2HB PRO 13 HB3 PRO 13 -15.793 14.079 -1.702 97 1HG PRO 13 HG2 PRO 13 -15.880 12.855 1.073 98 2HG PRO 13 HG3 PRO 13 -17.240 13.537 0.135 99 1HD PRO 13 HD2 PRO 13 -16.819 10.897 0.146 100 2HD PRO 13 HD3 PRO 13 -17.196 11.715 -1.398 101 H GLN 14 H GLN 14 -13.879 11.124 0.861 102 HA GLN 14 HA GLN 14 -11.538 12.577 1.729 103 1HB GLN 14 HB2 GLN 14 -12.568 9.899 2.660 104 2HB GLN 14 HB3 GLN 14 -11.407 10.962 3.481 105 1HG GLN 14 HG2 GLN 14 -13.090 12.780 3.654 106 2HG GLN 14 HG3 GLN 14 -14.300 11.768 2.860 107 1HE2 GLN 14 HE21 GLN 14 -13.358 10.989 6.777 108 2HE2 GLN 14 HE22 GLN 14 -12.226 11.907 5.803 109 H VAL 15 H VAL 15 -12.161 9.856 -0.446 110 HA VAL 15 HA VAL 15 -9.489 8.755 -0.366 111 HB VAL 15 HB VAL 15 -11.449 8.797 -2.690 112 1HG1 VAL 15 HG12 VAL 15 -9.015 7.079 -2.102 113 2HG1 VAL 15 HG13 VAL 15 -10.208 6.751 -3.378 114 3HG1 VAL 15 HG11 VAL 15 -9.229 8.218 -3.441 115 1HG2 VAL 15 HG22 VAL 15 -11.068 6.713 -0.496 116 2HG2 VAL 15 HG23 VAL 15 -12.495 7.749 -0.688 117 3HG2 VAL 15 HG21 VAL 15 -12.104 6.562 -1.933 118 H LYS 16 H LYS 16 -11.106 11.344 -2.254 119 HA LYS 16 HA LYS 16 -8.797 12.038 -3.826 120 1HB LYS 16 HB2 LYS 16 -11.173 13.776 -3.042 121 2HB LYS 16 HB3 LYS 16 -9.954 14.135 -4.269 122 1HG LYS 16 HG2 LYS 16 -10.597 12.064 -5.505 123 2HG LYS 16 HG3 LYS 16 -11.879 11.767 -4.310 124 1HD LYS 16 HD2 LYS 16 -12.958 13.911 -4.900 125 2HD LYS 16 HD3 LYS 16 -11.629 14.303 -6.001 126 1HE LYS 16 HE2 LYS 16 -13.554 13.484 -7.269 127 2HE LYS 16 HE3 LYS 16 -12.190 12.370 -7.433 128 1HZ LYS 16 HZ1 LYS 16 -14.469 12.022 -5.610 129 2HZ LYS 16 HZ2 LYS 16 -14.253 11.237 -7.043 130 3HZ LYS 16 HZ3 LYS 16 -13.214 10.968 -5.795 131 H ALA 17 H ALA 17 -10.169 13.366 -0.776 132 HA ALA 17 HA ALA 17 -8.227 15.293 -0.245 133 1HB ALA 17 HB3 ALA 17 -10.280 14.884 1.122 134 2HB ALA 17 HB1 ALA 17 -9.468 13.483 1.863 135 3HB ALA 17 HB2 ALA 17 -8.808 15.107 2.090 136 H MET 18 H MET 18 -8.056 11.794 0.653 137 HA MET 18 HA MET 18 -5.433 11.994 1.776 138 1HB MET 18 HB2 MET 18 -7.061 9.662 0.763 139 2HB MET 18 HB3 MET 18 -5.411 9.473 1.381 140 1HG MET 18 HG2 MET 18 -5.988 10.533 3.494 141 2HG MET 18 HG3 MET 18 -7.653 10.786 2.966 142 1HE MET 18 HE2 MET 18 -9.452 8.991 2.877 143 2HE MET 18 HE3 MET 18 -8.501 8.146 1.636 144 3HE MET 18 HE1 MET 18 -9.155 7.239 3.023 145 H LEU 19 H LEU 19 -6.496 10.984 -1.551 146 HA LEU 19 HA LEU 19 -3.919 10.480 -2.596 147 1HB LEU 19 HB2 LEU 19 -6.440 11.550 -3.893 148 2HB LEU 19 HB3 LEU 19 -4.991 11.178 -4.823 149 HG LEU 19 HG LEU 19 -6.339 9.089 -3.063 150 1HD1 LEU 19 HD12 LEU 19 -6.755 9.671 -6.031 151 2HD1 LEU 19 HD13 LEU 19 -7.394 8.266 -5.154 152 3HD1 LEU 19 HD11 LEU 19 -7.958 9.897 -4.746 153 1HD2 LEU 19 HD23 LEU 19 -4.437 8.873 -5.440 154 2HD2 LEU 19 HD21 LEU 19 -3.990 8.585 -3.745 155 3HD2 LEU 19 HD22 LEU 19 -5.144 7.515 -4.545 156 H GLU 20 H GLU 20 -5.605 13.602 -2.294 157 HA GLU 20 HA GLU 20 -3.646 15.200 -3.606 158 1HB GLU 20 HB2 GLU 20 -5.544 15.812 -1.312 159 2HB GLU 20 HB3 GLU 20 -4.579 17.038 -2.136 160 1HG GLU 20 HG2 GLU 20 -5.737 16.784 -4.184 161 2HG GLU 20 HG3 GLU 20 -6.398 15.207 -3.753 162 HE1 GLU 20 HE GLU 20 -8.086 18.304 -1.825 163 H LYS 21 H LYS 21 -3.687 13.765 -0.336 164 HA LYS 21 HA LYS 21 -1.258 15.202 0.520 165 1HB LYS 21 HB2 LYS 21 -2.716 12.862 1.793 166 2HB LYS 21 HB3 LYS 21 -1.499 13.859 2.559 167 1HG LYS 21 HG2 LYS 21 -3.968 15.292 1.548 168 2HG LYS 21 HG3 LYS 21 -4.186 14.140 2.846 169 1HD LYS 21 HD2 LYS 21 -3.847 16.346 3.756 170 2HD LYS 21 HD3 LYS 21 -2.559 15.245 4.252 171 1HE LYS 21 HE2 LYS 21 -1.684 17.493 3.670 172 2HE LYS 21 HE3 LYS 21 -1.011 16.251 2.612 173 1HZ LYS 21 HZ2 LYS 21 -3.246 18.049 1.955 174 2HZ LYS 21 HZ3 LYS 21 -1.699 18.180 1.399 175 3HZ LYS 21 HZ1 LYS 21 -2.626 16.894 0.954 176 H ASP 22 H ASP 22 -0.713 14.117 -1.853 177 HA ASP 22 HA ASP 22 0.093 11.357 -1.796 178 1HB ASP 22 HB2 ASP 22 -0.102 11.756 -3.962 179 2HB ASP 22 HB3 ASP 22 -0.038 13.500 -3.768 180 HD2 ASP 22 HD ASP 22 3.278 11.581 -4.865 181 H THR 23 H THR 23 1.955 14.374 -1.688 182 HA THR 23 HA THR 23 3.914 14.981 -0.928 183 HB THR 23 HB THR 23 4.862 14.030 1.092 184 HG1 THR 23 HG1 THR 23 3.023 11.945 0.616 185 1HG2 THR 23 HG23 THR 23 2.957 15.625 1.188 186 2HG2 THR 23 HG21 THR 23 1.820 14.255 1.196 187 3HG2 THR 23 HG22 THR 23 2.954 14.476 2.540 188 H GLY 24 H GLY 24 4.121 11.484 -1.718 189 1HA GLY 24 HA2 GLY 24 6.909 11.419 -2.371 190 2HA GLY 24 HA3 GLY 24 5.632 10.370 -2.986 191 H LYS 25 H LYS 25 7.933 12.514 -3.943 192 HA LYS 25 HA LYS 25 6.526 13.825 -6.174 193 1HB LYS 25 HB2 LYS 25 9.509 13.719 -5.506 194 2HB LYS 25 HB3 LYS 25 8.702 14.764 -6.675 195 1HG LYS 25 HG2 LYS 25 8.855 16.260 -4.983 196 2HG LYS 25 HG3 LYS 25 7.301 15.541 -4.538 197 1HD LYS 25 HD2 LYS 25 8.494 14.092 -2.862 198 2HD LYS 25 HD3 LYS 25 10.045 14.734 -3.415 199 1HE LYS 25 HE2 LYS 25 9.330 15.789 -1.331 200 2HE LYS 25 HE3 LYS 25 9.384 16.994 -2.629 201 1HZ LYS 25 HZ3 LYS 25 6.952 15.596 -1.736 202 2HZ LYS 25 HZ1 LYS 25 7.399 17.108 -1.237 203 3HZ LYS 25 HZ2 LYS 25 7.032 16.833 -2.819 204 H VAL 26 H VAL 26 7.514 13.457 -8.419 205 HA VAL 26 HA VAL 26 7.647 10.555 -8.900 206 HB VAL 26 HB VAL 26 7.512 12.924 -10.812 207 1HG1 VAL 26 HG12 VAL 26 7.307 9.919 -11.265 208 2HG1 VAL 26 HG13 VAL 26 6.765 11.133 -12.444 209 3HG1 VAL 26 HG11 VAL 26 8.468 11.043 -12.003 210 1HG2 VAL 26 HG22 VAL 26 5.386 11.002 -9.766 211 2HG2 VAL 26 HG23 VAL 26 5.467 12.747 -9.454 212 3HG2 VAL 26 HG21 VAL 26 5.137 12.164 -11.086 213 H SER 27 H SER 27 9.371 9.509 -9.985 214 HA SER 27 HA SER 27 11.797 10.990 -10.768 215 1HB SER 27 HB2 SER 27 11.831 8.815 -8.647 216 2HB SER 27 HB3 SER 27 13.252 9.547 -9.411 217 HG SER 27 HG SER 27 11.699 11.532 -8.535 218 H GLY 28 H GLY 28 10.584 10.267 -12.760 219 1HA GLY 28 HA2 GLY 28 10.485 8.838 -14.587 220 2HA GLY 28 HA3 GLY 28 11.743 7.830 -13.835 221 H ASP 29 H ASP 29 10.649 5.776 -14.071 222 HA ASP 29 HA ASP 29 7.897 5.481 -13.036 223 1HB ASP 29 HB2 ASP 29 8.622 4.138 -14.989 224 2HB ASP 29 HB3 ASP 29 9.858 3.356 -13.974 225 HD2 ASP 29 HD ASP 29 7.419 0.952 -13.498 226 H THR 30 H THR 30 9.094 6.609 -11.027 227 HA THR 30 HA THR 30 9.053 4.687 -8.900 228 HB THR 30 HB THR 30 11.673 5.971 -9.770 229 HG1 THR 30 HG1 THR 30 10.981 3.707 -10.190 230 1HG2 THR 30 HG21 THR 30 11.149 4.997 -6.965 231 2HG2 THR 30 HG22 THR 30 12.710 5.415 -7.691 232 3HG2 THR 30 HG23 THR 30 11.491 6.676 -7.453 233 H VAL 31 H VAL 31 8.884 5.886 -6.894 234 HA VAL 31 HA VAL 31 8.254 8.768 -7.180 235 HB VAL 31 HB VAL 31 6.748 6.532 -5.785 236 1HG1 VAL 31 HG11 VAL 31 6.598 9.494 -5.081 237 2HG1 VAL 31 HG12 VAL 31 5.468 8.253 -4.529 238 3HG1 VAL 31 HG13 VAL 31 7.148 8.201 -3.990 239 1HG2 VAL 31 HG21 VAL 31 5.878 8.874 -7.495 240 2HG2 VAL 31 HG22 VAL 31 6.034 7.173 -7.996 241 3HG2 VAL 31 HG23 VAL 31 4.823 7.629 -6.791 242 H THR 32 H THR 32 8.910 10.036 -5.269 243 HA THR 32 HA THR 32 10.987 8.746 -3.594 244 HB THR 32 HB THR 32 11.323 11.148 -5.436 245 HG1 THR 32 HG1 THR 32 12.372 9.841 -6.658 246 1HG2 THR 32 HG23 THR 32 13.247 9.972 -3.380 247 2HG2 THR 32 HG21 THR 32 13.705 11.115 -4.662 248 3HG2 THR 32 HG22 THR 32 12.568 11.613 -3.403 249 H TYR 33 H TYR 33 11.092 9.588 -1.590 250 HA TYR 33 HA TYR 33 9.337 11.927 -0.928 251 1HB TYR 33 HB2 TYR 33 10.218 9.488 0.644 252 2HB TYR 33 HB3 TYR 33 9.542 10.938 1.385 253 HD1 TYR 33 HD2 TYR 33 8.785 8.237 -1.128 254 HD2 TYR 33 HD1 TYR 33 7.203 11.348 1.411 255 HE1 TYR 33 HE2 TYR 33 6.465 7.555 -1.707 256 HE2 TYR 33 HE1 TYR 33 4.935 10.424 1.083 257 HH TYR 33 HH TYR 33 3.612 9.145 -0.225 258 H SER 34 H SER 34 10.160 13.216 0.922 259 HA SER 34 HA SER 34 13.053 13.413 1.282 260 1HB SER 34 HB2 SER 34 11.659 15.671 -0.224 261 2HB SER 34 HB3 SER 34 13.371 15.538 0.194 262 HG SER 34 HG SER 34 13.034 13.411 -1.139 263 H GLY 35 H GLY 35 11.111 12.969 3.185 264 1HA GLY 35 HA2 GLY 35 11.557 15.055 5.035 265 2HA GLY 35 HA3 GLY 35 9.891 15.170 4.404 266 H LYS 36 H LYS 36 10.104 14.523 7.063 267 HA LYS 36 HA LYS 36 10.362 11.669 7.477 268 1HB LYS 36 HB2 LYS 36 9.465 13.960 9.241 269 2HB LYS 36 HB3 LYS 36 9.340 12.276 9.741 270 1HG LYS 36 HG2 LYS 36 11.311 13.192 10.658 271 2HG LYS 36 HG3 LYS 36 11.712 11.904 9.522 272 1HD LYS 36 HD2 LYS 36 12.365 13.560 7.817 273 2HD LYS 36 HD3 LYS 36 11.908 14.896 8.899 274 1HE LYS 36 HE2 LYS 36 14.020 12.766 9.476 275 2HE LYS 36 HE3 LYS 36 14.369 14.383 8.837 276 1HZ LYS 36 HZ1 LYS 36 13.407 15.303 10.834 277 2HZ LYS 36 HZ2 LYS 36 13.157 13.791 11.443 278 3HZ LYS 36 HZ3 LYS 36 14.688 14.324 11.171 279 H THR 37 H THR 37 7.608 13.871 6.864 280 HA THR 37 HA THR 37 5.637 11.939 7.651 281 HB THR 37 HB THR 37 5.228 14.408 5.921 282 HG1 THR 37 HG1 THR 37 5.538 14.244 8.735 283 1HG2 THR 37 HG21 THR 37 3.537 13.040 8.076 284 2HG2 THR 37 HG22 THR 37 3.095 14.508 7.176 285 3HG2 THR 37 HG23 THR 37 3.248 12.956 6.327 286 H VAL 38 H VAL 38 6.575 10.147 6.334 287 HA VAL 38 HA VAL 38 6.247 10.335 3.405 288 HB VAL 38 HB VAL 38 7.379 8.212 5.223 289 1HG1 VAL 38 HG11 VAL 38 6.989 8.177 2.191 290 2HG1 VAL 38 HG12 VAL 38 8.176 7.179 3.035 291 3HG1 VAL 38 HG13 VAL 38 6.453 6.954 3.347 292 1HG2 VAL 38 HG23 VAL 38 8.680 10.282 4.868 293 2HG2 VAL 38 HG21 VAL 38 9.460 8.876 4.123 294 3HG2 VAL 38 HG22 VAL 38 8.583 10.051 3.126 295 H HIS 39 H HIS 39 4.045 10.885 3.514 296 HA HIS 39 HA HIS 39 2.090 8.879 4.343 297 1HB HIS 39 HB2 HIS 39 1.833 11.429 4.389 298 2HB HIS 39 HB3 HIS 39 1.613 11.356 2.639 299 HD1 HIS 39 HD1 HIS 39 -0.920 11.237 2.044 300 HD2 HIS 39 HD2 HIS 39 0.088 9.575 5.783 301 HE1 HIS 39 HE1 HIS 39 -3.133 10.526 3.155 302 HE2 HIS 39 HE2 HIS 39 -2.497 9.493 5.437 303 H VAL 40 H VAL 40 1.801 7.059 3.112 304 HA VAL 40 HA VAL 40 2.236 7.222 0.130 305 HB VAL 40 HB VAL 40 2.471 4.839 1.991 306 1HG1 VAL 40 HG13 VAL 40 2.931 5.139 -1.002 307 2HG1 VAL 40 HG11 VAL 40 3.394 3.718 -0.037 308 3HG1 VAL 40 HG12 VAL 40 1.689 4.144 -0.214 309 1HG2 VAL 40 HG21 VAL 40 4.350 6.393 2.300 310 2HG2 VAL 40 HG22 VAL 40 4.863 4.913 1.480 311 3HG2 VAL 40 HG23 VAL 40 4.634 6.404 0.547 312 H VAL 41 H VAL 41 0.242 7.558 -0.792 313 HA VAL 41 HA VAL 41 -2.137 6.487 0.537 314 HB VAL 41 HB VAL 41 -2.013 8.143 -1.983 315 1HG1 VAL 41 HG11 VAL 41 -4.133 7.641 0.157 316 2HG1 VAL 41 HG12 VAL 41 -4.302 8.786 -1.174 317 3HG1 VAL 41 HG13 VAL 41 -4.175 7.056 -1.523 318 1HG2 VAL 41 HG21 VAL 41 -0.779 9.337 -0.141 319 2HG2 VAL 41 HG22 VAL 41 -2.284 10.099 -0.598 320 3HG2 VAL 41 HG23 VAL 41 -2.212 9.129 0.890 321 H ALA 42 H ALA 42 -2.239 4.300 0.226 322 HA ALA 42 HA ALA 42 -1.799 3.116 -2.476 323 1HB ALA 42 HB1 ALA 42 -1.864 1.885 0.297 324 2HB ALA 42 HB2 ALA 42 -1.603 1.003 -1.224 325 3HB ALA 42 HB3 ALA 42 -0.429 2.222 -0.686 326 H ALA 43 H ALA 43 -3.722 3.285 -3.633 327 HA ALA 43 HA ALA 43 -6.228 2.515 -2.303 328 1HB ALA 43 HB3 ALA 43 -6.212 4.470 -3.788 329 2HB ALA 43 HB1 ALA 43 -5.784 3.416 -5.157 330 3HB ALA 43 HB2 ALA 43 -7.312 3.172 -4.287 331 H ALA 44 H ALA 44 -6.601 0.349 -2.126 332 HA ALA 44 HA ALA 44 -5.259 -1.521 -4.027 333 1HB ALA 44 HB2 ALA 44 -5.190 -1.939 -1.576 334 2HB ALA 44 HB3 ALA 44 -6.933 -2.255 -1.626 335 3HB ALA 44 HB1 ALA 44 -5.831 -3.269 -2.553 336 H VAL 45 H VAL 45 -6.455 -0.755 -5.809 337 HA VAL 45 HA VAL 45 -7.944 -1.129 -7.468 338 HB VAL 45 HB VAL 45 -9.169 -3.264 -5.694 339 1HG1 VAL 45 HG11 VAL 45 -10.594 -2.591 -7.605 340 2HG1 VAL 45 HG12 VAL 45 -9.243 -2.929 -8.720 341 3HG1 VAL 45 HG13 VAL 45 -9.976 -4.231 -7.773 342 1HG2 VAL 45 HG22 VAL 45 -6.964 -3.471 -7.790 343 2HG2 VAL 45 HG23 VAL 45 -6.743 -3.688 -6.041 344 3HG2 VAL 45 HG21 VAL 45 -7.731 -4.831 -6.945 345 H LEU 46 H LEU 46 -8.921 0.879 -7.502 346 HA LEU 46 HA LEU 46 -10.908 1.615 -5.517 347 1HB LEU 46 HB2 LEU 46 -10.023 2.842 -8.161 348 2HB LEU 46 HB3 LEU 46 -11.246 3.593 -7.142 349 HG LEU 46 HG LEU 46 -8.424 2.973 -6.200 350 1HD1 LEU 46 HD11 LEU 46 -8.361 4.571 -8.067 351 2HD1 LEU 46 HD12 LEU 46 -9.577 5.586 -7.260 352 3HD1 LEU 46 HD13 LEU 46 -7.967 5.376 -6.540 353 1HD2 LEU 46 HD21 LEU 46 -10.694 4.704 -5.080 354 2HD2 LEU 46 HD22 LEU 46 -9.995 3.259 -4.316 355 3HD2 LEU 46 HD23 LEU 46 -9.038 4.737 -4.461 356 HA PRO 47 HA PRO 47 -14.431 -0.272 -7.392 357 1HB PRO 47 HB2 PRO 47 -16.473 1.474 -6.774 358 2HB PRO 47 HB3 PRO 47 -15.682 0.370 -5.607 359 1HG PRO 47 HG2 PRO 47 -15.061 3.288 -6.073 360 2HG PRO 47 HG3 PRO 47 -15.335 2.446 -4.513 361 1HD PRO 47 HD2 PRO 47 -12.837 2.920 -5.445 362 2HD PRO 47 HD3 PRO 47 -13.212 1.365 -4.638 363 H GLY 48 H GLY 48 -14.232 -0.331 -9.489 364 1HA GLY 48 HA2 GLY 48 -15.407 0.936 -11.553 365 2HA GLY 48 HA3 GLY 48 -14.011 2.008 -11.235 366 H PHE 49 H PHE 49 -12.144 0.299 -10.240 367 HA PHE 49 HA PHE 49 -11.338 -1.374 -12.537 368 1HB PHE 49 HB2 PHE 49 -10.047 -0.803 -9.833 369 2HB PHE 49 HB3 PHE 49 -9.357 -1.827 -11.081 370 HD1 PHE 49 HD2 PHE 49 -10.194 1.664 -10.155 371 HD2 PHE 49 HD1 PHE 49 -8.341 -0.873 -13.104 372 HE1 PHE 49 HE2 PHE 49 -9.163 3.655 -11.216 373 HE2 PHE 49 HE1 PHE 49 -7.326 1.120 -14.175 374 HZ PHE 49 HZ PHE 49 -7.726 3.385 -13.231 375 HA PRO 50 HA PRO 50 -13.485 -4.635 -10.107 376 1HB PRO 50 HB2 PRO 50 -12.922 -6.821 -11.645 377 2HB PRO 50 HB3 PRO 50 -14.120 -5.585 -12.123 378 1HG PRO 50 HG2 PRO 50 -11.249 -5.823 -13.052 379 2HG PRO 50 HG3 PRO 50 -12.707 -5.544 -14.041 380 1HD PRO 50 HD2 PRO 50 -11.060 -3.512 -13.226 381 2HD PRO 50 HD3 PRO 50 -12.825 -3.275 -13.397 382 H PHE 51 H PHE 51 -10.191 -4.778 -11.364 383 HA PHE 51 HA PHE 51 -8.774 -5.535 -9.027 384 1HB PHE 51 HB2 PHE 51 -9.704 -7.555 -11.076 385 2HB PHE 51 HB3 PHE 51 -8.096 -7.768 -10.472 386 HD1 PHE 51 HD2 PHE 51 -8.580 -7.046 -7.481 387 HD2 PHE 51 HD1 PHE 51 -10.680 -9.564 -10.304 388 HE1 PHE 51 HE2 PHE 51 -9.297 -8.509 -5.656 389 HE2 PHE 51 HE1 PHE 51 -11.304 -11.081 -8.453 390 HZ PHE 51 HZ PHE 51 -10.556 -10.596 -6.140 391 HA PRO 52 HA PRO 52 -6.738 -6.798 -9.112 392 1HB PRO 52 HB2 PRO 52 -4.453 -7.839 -9.988 393 2HB PRO 52 HB3 PRO 52 -5.917 -8.139 -10.958 394 1HG PRO 52 HG2 PRO 52 -3.755 -6.075 -11.462 395 2HG PRO 52 HG3 PRO 52 -4.519 -7.184 -12.627 396 1HD PRO 52 HD2 PRO 52 -5.334 -4.515 -12.180 397 2HD PRO 52 HD3 PRO 52 -6.340 -5.795 -12.889 398 H SER 53 H SER 53 -4.655 -4.112 -10.299 399 HA SER 53 HA SER 53 -2.696 -4.683 -8.331 400 1HB SER 53 HB2 SER 53 -1.810 -2.452 -9.594 401 2HB SER 53 HB3 SER 53 -1.767 -4.065 -10.325 402 HG SER 53 HG SER 53 -2.729 -2.567 -11.725 403 H PHE 54 H PHE 54 -1.570 -3.222 -7.025 404 HA PHE 54 HA PHE 54 -3.213 -1.499 -5.322 405 1HB PHE 54 HB2 PHE 54 -0.188 -1.954 -5.581 406 2HB PHE 54 HB3 PHE 54 -0.887 -0.769 -4.495 407 HD1 PHE 54 HD2 PHE 54 -3.058 -2.022 -3.092 408 HD2 PHE 54 HD1 PHE 54 0.879 -3.443 -4.122 409 HE1 PHE 54 HE2 PHE 54 -3.148 -3.685 -1.237 410 HE2 PHE 54 HE1 PHE 54 0.882 -4.872 -2.104 411 HZ PHE 54 HZ PHE 54 -1.139 -4.983 -0.662 412 H GLU 55 H GLU 55 -3.760 0.498 -6.000 413 HA GLU 55 HA GLU 55 -2.183 1.804 -8.146 414 1HB GLU 55 HB2 GLU 55 -4.872 2.830 -7.400 415 2HB GLU 55 HB3 GLU 55 -4.000 2.600 -8.948 416 1HG GLU 55 HG2 GLU 55 -4.467 0.166 -8.891 417 2HG GLU 55 HG3 GLU 55 -5.399 0.389 -7.411 418 HE1 GLU 55 HE GLU 55 -7.009 1.437 -10.905 419 H VAL 56 H VAL 56 -0.662 3.165 -7.172 420 HA VAL 56 HA VAL 56 -1.307 4.143 -4.418 421 HB VAL 56 HB VAL 56 1.452 3.588 -5.418 422 1HG1 VAL 56 HG11 VAL 56 1.163 5.160 -3.475 423 2HG1 VAL 56 HG12 VAL 56 0.396 3.845 -2.580 424 3HG1 VAL 56 HG13 VAL 56 2.084 3.695 -3.094 425 1HG2 VAL 56 HG23 VAL 56 -0.381 1.743 -3.827 426 2HG2 VAL 56 HG21 VAL 56 0.335 1.410 -5.417 427 3HG2 VAL 56 HG22 VAL 56 1.370 1.516 -3.990 428 H HIS 57 H HIS 57 -1.702 6.206 -4.418 429 HA HIS 57 HA HIS 57 -2.161 8.206 -5.466 430 1HB HIS 57 HB2 HIS 57 -0.172 9.752 -5.091 431 2HB HIS 57 HB3 HIS 57 -0.893 8.914 -3.738 432 HD1 HIS 57 HD1 HIS 57 1.682 6.929 -5.762 433 HD2 HIS 57 HD2 HIS 57 1.267 9.212 -2.238 434 HE1 HIS 57 HE1 HIS 57 3.791 6.515 -4.367 435 HE2 HIS 57 HE2 HIS 57 3.527 7.922 -2.228 436 H ASP 58 H ASP 58 1.037 8.744 -6.681 437 HA ASP 58 HA ASP 58 -0.044 9.651 -9.130 438 1HB ASP 58 HB2 ASP 58 2.004 10.565 -8.109 439 2HB ASP 58 HB3 ASP 58 2.853 9.034 -8.425 440 HD1 ASP 58 HD ASP 58 1.892 11.397 -11.553 441 H LYS 59 H LYS 59 0.913 6.352 -8.309 442 HA LYS 59 HA LYS 59 0.736 5.620 -11.182 443 1HB LYS 59 HB2 LYS 59 2.972 4.410 -9.589 444 2HB LYS 59 HB3 LYS 59 2.773 4.573 -11.332 445 1HG LYS 59 HG2 LYS 59 3.135 7.097 -10.957 446 2HG LYS 59 HG3 LYS 59 3.750 6.654 -9.332 447 1HD LYS 59 HD2 LYS 59 5.472 5.242 -10.341 448 2HD LYS 59 HD3 LYS 59 4.808 5.486 -11.958 449 1HE LYS 59 HE2 LYS 59 5.918 7.746 -10.219 450 2HE LYS 59 HE3 LYS 59 6.808 6.872 -11.464 451 1HZ LYS 59 HZ2 LYS 59 5.085 7.591 -13.031 452 2HZ LYS 59 HZ3 LYS 59 4.438 8.547 -11.844 453 3HZ LYS 59 HZ1 LYS 59 5.965 8.824 -12.389 454 H LYS 60 H LYS 60 1.501 2.958 -10.918 455 HA LYS 60 HA LYS 60 -0.205 1.839 -8.788 456 1HB LYS 60 HB2 LYS 60 -0.075 0.743 -11.607 457 2HB LYS 60 HB3 LYS 60 -1.066 0.154 -10.261 458 1HG LYS 60 HG2 LYS 60 -2.079 2.602 -10.323 459 2HG LYS 60 HG3 LYS 60 -1.411 2.657 -11.952 460 1HD LYS 60 HD2 LYS 60 -3.356 0.549 -10.885 461 2HD LYS 60 HD3 LYS 60 -3.806 1.940 -11.875 462 1HE LYS 60 HE2 LYS 60 -2.425 1.088 -13.741 463 2HE LYS 60 HE3 LYS 60 -1.921 -0.300 -12.755 464 1HZ LYS 60 HZ2 LYS 60 -4.679 0.313 -13.544 465 2HZ LYS 60 HZ3 LYS 60 -3.720 -0.853 -14.205 466 3HZ LYS 60 HZ1 LYS 60 -4.204 -0.973 -12.632 467 H ASN 61 H ASN 61 0.768 0.297 -7.675 468 HA ASN 61 HA ASN 61 2.607 -0.701 -6.719 469 1HB ASN 61 HB2 ASN 61 2.824 -1.693 -9.585 470 2HB ASN 61 HB3 ASN 61 3.759 -2.345 -8.262 471 1HD2 ASN 61 HD22 ASN 61 -0.165 -3.338 -8.185 472 2HD2 ASN 61 HD21 ASN 61 0.062 -1.566 -8.283 473 HA PRO 62 HA PRO 62 5.700 2.252 -8.846 474 1HB PRO 62 HB2 PRO 62 5.862 4.317 -7.024 475 2HB PRO 62 HB3 PRO 62 4.730 4.301 -8.386 476 1HG PRO 62 HG2 PRO 62 4.200 3.479 -5.516 477 2HG PRO 62 HG3 PRO 62 3.209 4.548 -6.554 478 1HD PRO 62 HD2 PRO 62 2.632 1.878 -6.203 479 2HD PRO 62 HD3 PRO 62 2.381 2.716 -7.763 480 H THR 63 H THR 63 7.821 2.555 -8.151 481 HA THR 63 HA THR 63 8.694 1.012 -5.773 482 HB THR 63 HB THR 63 10.059 2.228 -8.218 483 HG1 THR 63 HG1 THR 63 8.888 0.232 -8.362 484 1HG2 THR 63 HG21 THR 63 11.231 1.000 -5.721 485 2HG2 THR 63 HG22 THR 63 12.082 0.979 -7.289 486 3HG2 THR 63 HG23 THR 63 11.675 2.535 -6.540 487 H LEU 64 H LEU 64 9.385 2.160 -3.928 488 HA LEU 64 HA LEU 64 9.125 5.145 -4.040 489 1HB LEU 64 HB2 LEU 64 8.530 3.096 -1.900 490 2HB LEU 64 HB3 LEU 64 8.872 4.786 -1.524 491 HG LEU 64 HG LEU 64 7.042 5.539 -3.001 492 1HD1 LEU 64 HD12 LEU 64 6.461 2.555 -3.194 493 2HD1 LEU 64 HD13 LEU 64 5.243 3.811 -3.489 494 3HD1 LEU 64 HD11 LEU 64 6.670 3.720 -4.525 495 1HD2 LEU 64 HD22 LEU 64 6.793 5.281 -0.546 496 2HD2 LEU 64 HD23 LEU 64 5.281 4.965 -1.408 497 3HD2 LEU 64 HD21 LEU 64 6.245 3.607 -0.783 498 H GLU 65 H GLU 65 10.913 6.331 -3.698 499 HA GLU 65 HA GLU 65 13.298 5.128 -2.346 500 1HB GLU 65 HB2 GLU 65 13.011 7.698 -3.938 501 2HB GLU 65 HB3 GLU 65 14.498 7.089 -3.192 502 1HG GLU 65 HG2 GLU 65 14.277 4.988 -4.563 503 2HG GLU 65 HG3 GLU 65 12.869 5.690 -5.363 504 HE1 GLU 65 HE GLU 65 13.483 8.090 -6.051 505 H ILE 66 H ILE 66 13.331 5.418 -0.210 506 HA ILE 66 HA ILE 66 11.798 7.663 0.989 507 HB ILE 66 HB ILE 66 12.248 4.763 1.657 508 1HG1 ILE 66 HG12 ILE 66 9.809 6.493 1.041 509 2HG1 ILE 66 HG13 ILE 66 10.503 5.181 0.077 510 1HG2 ILE 66 HG22 ILE 66 12.451 5.998 3.822 511 2HG2 ILE 66 HG23 ILE 66 10.908 6.822 3.487 512 3HG2 ILE 66 HG21 ILE 66 10.966 5.069 3.731 513 1HD1 ILE 66 HD13 ILE 66 9.906 3.607 1.990 514 2HD1 ILE 66 HD11 ILE 66 8.960 4.941 2.677 515 3HD1 ILE 66 HD12 ILE 66 8.550 4.303 1.082 516 HA PRO 67 HA PRO 67 15.563 8.619 3.273 517 1HB PRO 67 HB2 PRO 67 14.584 10.506 4.997 518 2HB PRO 67 HB3 PRO 67 14.977 10.804 3.280 519 1HG PRO 67 HG2 PRO 67 12.276 10.360 4.507 520 2HG PRO 67 HG3 PRO 67 12.735 11.469 3.196 521 1HD PRO 67 HD2 PRO 67 11.544 8.981 2.852 522 2HD PRO 67 HD3 PRO 67 12.551 9.789 1.609 523 H ALA 68 H ALA 68 16.261 7.147 4.683 524 HA ALA 68 HA ALA 68 14.924 5.401 6.330 525 1HB ALA 68 HB1 ALA 68 17.372 5.329 5.736 526 2HB ALA 68 HB2 ALA 68 17.649 6.651 6.882 527 3HB ALA 68 HB3 ALA 68 17.068 5.079 7.468 528 H GLY 69 H GLY 69 14.219 5.285 8.451 529 1HA GLY 69 HA2 GLY 69 13.614 6.017 10.528 530 2HA GLY 69 HA3 GLY 69 14.669 7.422 10.349 531 H ALA 70 H ALA 70 12.716 7.688 7.629 532 HA ALA 70 HA ALA 70 11.044 9.712 8.738 533 1HB ALA 70 HB3 ALA 70 10.790 8.034 6.204 534 2HB ALA 70 HB1 ALA 70 9.839 9.481 6.578 535 3HB ALA 70 HB2 ALA 70 11.595 9.616 6.396 536 H THR 71 H THR 71 8.683 9.680 8.854 537 HA THR 71 HA THR 71 7.667 7.200 10.132 538 HB THR 71 HB THR 71 6.474 9.993 9.978 539 HG1 THR 71 HG1 THR 71 8.434 9.702 11.239 540 1HG2 THR 71 HG21 THR 71 5.741 7.479 11.553 541 2HG2 THR 71 HG22 THR 71 5.020 9.088 11.808 542 3HG2 THR 71 HG23 THR 71 4.776 8.245 10.268 543 H VAL 72 H VAL 72 7.317 5.838 8.496 544 HA VAL 72 HA VAL 72 6.100 6.636 5.952 545 HB VAL 72 HB VAL 72 6.971 3.919 7.043 546 1HG1 VAL 72 HG12 VAL 72 6.032 4.844 4.269 547 2HG1 VAL 72 HG13 VAL 72 6.757 3.262 4.619 548 3HG1 VAL 72 HG11 VAL 72 5.200 3.701 5.330 549 1HG2 VAL 72 HG23 VAL 72 8.819 5.621 6.569 550 2HG2 VAL 72 HG21 VAL 72 8.842 4.196 5.504 551 3HG2 VAL 72 HG22 VAL 72 8.211 5.746 4.921 552 H ASP 73 H ASP 73 4.056 7.250 6.186 553 HA ASP 73 HA ASP 73 2.135 5.619 7.799 554 1HB ASP 73 HB2 ASP 73 2.133 8.463 6.817 555 2HB ASP 73 HB3 ASP 73 0.596 7.590 6.964 556 HD1 ASP 73 HD ASP 73 0.876 6.936 10.354 557 H VAL 74 H VAL 74 1.956 3.821 6.563 558 HA VAL 74 HA VAL 74 1.438 4.016 3.671 559 HB VAL 74 HB VAL 74 1.250 1.638 5.520 560 1HG1 VAL 74 HG12 VAL 74 1.427 1.886 2.469 561 2HG1 VAL 74 HG13 VAL 74 1.431 0.365 3.373 562 3HG1 VAL 74 HG11 VAL 74 -0.013 1.383 3.381 563 1HG2 VAL 74 HG21 VAL 74 3.579 2.608 3.848 564 2HG2 VAL 74 HG22 VAL 74 3.503 2.343 5.617 565 3HG2 VAL 74 HG23 VAL 74 3.432 0.968 4.517 566 H THR 75 H THR 75 -0.385 4.955 3.241 567 HA THR 75 HA THR 75 -2.749 4.748 5.003 568 HB THR 75 HB THR 75 -1.975 6.787 2.903 569 HG1 THR 75 HG1 THR 75 -0.586 6.765 4.680 570 1HG2 THR 75 HG23 THR 75 -4.227 6.653 4.971 571 2HG2 THR 75 HG21 THR 75 -3.791 8.104 4.045 572 3HG2 THR 75 HG22 THR 75 -4.402 6.675 3.210 573 H PHE 76 H PHE 76 -3.717 2.901 4.389 574 HA PHE 76 HA PHE 76 -4.020 2.241 1.588 575 1HB PHE 76 HB2 PHE 76 -5.152 1.192 4.200 576 2HB PHE 76 HB3 PHE 76 -5.928 0.699 2.727 577 HD1 PHE 76 HD1 PHE 76 -3.686 0.308 0.797 578 HD2 PHE 76 HD2 PHE 76 -4.289 -1.018 4.862 579 HE1 PHE 76 HE1 PHE 76 -3.759 -1.980 0.037 580 HE2 PHE 76 HE2 PHE 76 -4.291 -3.363 4.060 581 HZ PHE 76 HZ PHE 76 -4.265 -3.822 1.612 582 H ILE 77 H ILE 77 -5.850 2.115 0.394 583 HA ILE 77 HA ILE 77 -8.474 2.935 1.452 584 HB ILE 77 HB ILE 77 -7.365 4.064 -1.161 585 1HG1 ILE 77 HG12 ILE 77 -8.723 6.065 0.194 586 2HG1 ILE 77 HG13 ILE 77 -8.050 5.188 1.547 587 1HG2 ILE 77 HG21 ILE 77 -9.687 3.135 -1.451 588 2HG2 ILE 77 HG22 ILE 77 -10.175 4.067 -0.018 589 3HG2 ILE 77 HG23 ILE 77 -9.665 4.887 -1.510 590 1HD1 ILE 77 HD11 ILE 77 -5.764 5.395 0.427 591 2HD1 ILE 77 HD12 ILE 77 -6.558 6.364 -0.843 592 3HD1 ILE 77 HD13 ILE 77 -6.513 6.955 0.828 593 H ASN 78 H ASN 78 -8.601 0.692 1.726 594 HA ASN 78 HA ASN 78 -8.446 -1.002 -0.748 595 1HB ASN 78 HB2 ASN 78 -7.074 -2.194 0.591 596 2HB ASN 78 HB3 ASN 78 -7.707 -1.626 2.091 597 1HD2 ASN 78 HD21 ASN 78 -9.381 -4.670 2.588 598 2HD2 ASN 78 HD22 ASN 78 -8.120 -3.590 3.093 599 H THR 79 H THR 79 -10.346 -0.723 -1.712 600 HA THR 79 HA THR 79 -12.763 -1.576 -0.291 601 HB THR 79 HB THR 79 -12.650 1.207 -1.509 602 HG1 THR 79 HG1 THR 79 -12.091 0.242 0.955 603 1HG2 THR 79 HG21 THR 79 -14.890 -0.313 -0.092 604 2HG2 THR 79 HG22 THR 79 -14.899 1.433 -0.412 605 3HG2 THR 79 HG23 THR 79 -14.920 0.298 -1.753 606 H ASN 80 H ASN 80 -11.473 -3.052 -1.964 607 HA ASN 80 HA ASN 80 -12.361 -2.839 -4.715 608 1HB ASN 80 HB2 ASN 80 -10.402 -4.124 -3.713 609 2HB ASN 80 HB3 ASN 80 -11.559 -5.347 -3.189 610 1HD2 ASN 80 HD22 ASN 80 -12.066 -5.718 -7.084 611 2HD2 ASN 80 HD21 ASN 80 -13.159 -4.992 -5.907 612 H LYS 81 H LYS 81 -13.781 -3.808 -1.722 613 HA LYS 81 HA LYS 81 -15.878 -4.360 -1.115 614 1HB LYS 81 HB2 LYS 81 -16.634 -5.115 -3.957 615 2HB LYS 81 HB3 LYS 81 -17.684 -4.875 -2.568 616 1HG LYS 81 HG2 LYS 81 -17.099 -2.455 -2.515 617 2HG LYS 81 HG3 LYS 81 -16.055 -2.680 -3.927 618 1HD LYS 81 HD2 LYS 81 -18.127 -3.689 -5.107 619 2HD LYS 81 HD3 LYS 81 -19.071 -2.961 -3.799 620 1HE LYS 81 HE2 LYS 81 -17.224 -1.546 -5.783 621 2HE LYS 81 HE3 LYS 81 -18.992 -1.460 -5.732 622 1HZ LYS 81 HZ3 LYS 81 -18.826 -0.422 -3.595 623 2HZ LYS 81 HZ1 LYS 81 -17.177 -0.463 -3.652 624 3HZ LYS 81 HZ2 LYS 81 -18.015 0.457 -4.736 625 H GLY 82 H GLY 82 -15.920 -6.295 0.011 626 1HA GLY 82 HA2 GLY 82 -15.887 -8.554 0.420 627 2HA GLY 82 HA3 GLY 82 -15.772 -8.868 -1.313 628 H PHE 83 H PHE 83 -13.416 -7.853 -2.116 629 HA PHE 83 HA PHE 83 -11.547 -9.740 -0.973 630 1HB PHE 83 HB2 PHE 83 -11.113 -7.607 -3.090 631 2HB PHE 83 HB3 PHE 83 -10.028 -8.934 -2.713 632 HD1 PHE 83 HD1 PHE 83 -10.981 -11.359 -2.886 633 HD2 PHE 83 HD2 PHE 83 -12.879 -7.923 -4.696 634 HE1 PHE 83 HE1 PHE 83 -12.233 -12.848 -4.410 635 HE2 PHE 83 HE2 PHE 83 -14.125 -9.418 -6.211 636 HZ PHE 83 HZ PHE 83 -13.831 -11.885 -6.067 637 H GLY 84 H GLY 84 -11.591 -8.848 1.185 638 1HA GLY 84 HA2 GLY 84 -10.453 -6.541 2.269 639 2HA GLY 84 HA3 GLY 84 -10.310 -8.149 2.929 640 H HIS 85 H HIS 85 -8.775 -6.073 0.391 641 HA HIS 85 HA HIS 85 -6.417 -7.575 0.273 642 1HB HIS 85 HB2 HIS 85 -6.721 -4.586 -0.142 643 2HB HIS 85 HB3 HIS 85 -5.306 -5.527 -0.595 644 HD2 HIS 85 HD2 HIS 85 -8.564 -4.352 -1.932 645 HE1 HIS 85 HE1 HIS 85 -7.178 -7.168 -4.772 646 HE2 HIS 85 HE2 HIS 85 -8.857 -5.346 -4.328 647 H SER 86 H SER 86 -4.448 -7.535 1.230 648 HA SER 86 HA SER 86 -4.028 -6.116 3.805 649 1HB SER 86 HB2 SER 86 -2.180 -8.000 3.742 650 2HB SER 86 HB3 SER 86 -3.830 -8.463 4.143 651 HG SER 86 HG SER 86 -3.596 -9.782 2.549 652 H PHE 87 H PHE 87 -1.915 -5.068 3.953 653 HA PHE 87 HA PHE 87 -0.332 -4.925 1.450 654 1HB PHE 87 HB2 PHE 87 -1.704 -2.925 1.684 655 2HB PHE 87 HB3 PHE 87 -0.966 -2.530 3.212 656 HD1 PHE 87 HD2 PHE 87 1.812 -2.499 2.989 657 HD2 PHE 87 HD1 PHE 87 -1.012 -1.736 -0.179 658 HE1 PHE 87 HE2 PHE 87 3.496 -1.129 1.813 659 HE2 PHE 87 HE1 PHE 87 0.703 -0.432 -1.385 660 HZ PHE 87 HZ PHE 87 2.949 -0.086 -0.375 661 H ASP 88 H ASP 88 1.554 -6.009 2.156 662 HA ASP 88 HA ASP 88 2.527 -5.352 4.896 663 1HB ASP 88 HB2 ASP 88 2.244 -8.118 3.659 664 2HB ASP 88 HB3 ASP 88 3.151 -7.716 5.139 665 HD1 ASP 88 HD ASP 88 -0.862 -7.477 5.420 666 H ILE 89 H ILE 89 4.689 -5.530 5.282 667 HA ILE 89 HA ILE 89 6.353 -5.098 2.870 668 HB ILE 89 HB ILE 89 6.467 -3.772 5.606 669 1HG1 ILE 89 HG12 ILE 89 5.670 -2.714 2.858 670 2HG1 ILE 89 HG13 ILE 89 4.566 -3.019 4.207 671 1HG2 ILE 89 HG22 ILE 89 8.173 -3.339 3.118 672 2HG2 ILE 89 HG23 ILE 89 8.250 -2.385 4.614 673 3HG2 ILE 89 HG21 ILE 89 8.729 -4.067 4.643 674 1HD1 ILE 89 HD13 ILE 89 5.821 -1.328 5.573 675 2HD1 ILE 89 HD11 ILE 89 6.705 -0.884 4.087 676 3HD1 ILE 89 HD12 ILE 89 4.956 -0.696 4.156 677 H THR 90 H THR 90 8.287 -6.078 2.724 678 HA THR 90 HA THR 90 9.668 -7.306 4.914 679 HB THR 90 HB THR 90 8.051 -8.964 4.769 680 HG1 THR 90 HG1 THR 90 9.307 -10.690 4.484 681 1HG2 THR 90 HG23 THR 90 8.472 -9.165 1.752 682 2HG2 THR 90 HG21 THR 90 7.505 -10.284 2.739 683 3HG2 THR 90 HG22 THR 90 7.010 -8.600 2.577 684 H LYS 91 H LYS 91 11.094 -9.131 3.120 685 HA LYS 91 HA LYS 91 12.314 -7.163 1.197 686 1HB LYS 91 HB2 LYS 91 13.763 -9.227 2.898 687 2HB LYS 91 HB3 LYS 91 14.503 -8.137 1.709 688 1HG LYS 91 HG2 LYS 91 13.621 -6.181 3.045 689 2HG LYS 91 HG3 LYS 91 13.124 -7.312 4.309 690 1HD LYS 91 HD2 LYS 91 15.969 -6.894 3.272 691 2HD LYS 91 HD3 LYS 91 15.296 -6.209 4.756 692 1HE LYS 91 HE2 LYS 91 14.877 -8.541 5.611 693 2HE LYS 91 HE3 LYS 91 15.694 -9.184 4.173 694 1HZ LYS 91 HZ2 LYS 91 16.902 -7.416 6.174 695 2HZ LYS 91 HZ3 LYS 91 17.161 -9.037 6.025 696 3HZ LYS 91 HZ1 LYS 91 17.658 -8.012 4.834 697 H LYS 92 H LYS 92 10.379 -9.752 1.175 698 HA LYS 92 HA LYS 92 11.686 -11.562 -0.636 699 1HB LYS 92 HB2 LYS 92 8.727 -10.904 -0.333 700 2HB LYS 92 HB3 LYS 92 9.421 -12.286 -1.207 701 1HG LYS 92 HG2 LYS 92 10.516 -12.947 1.026 702 2HG LYS 92 HG3 LYS 92 9.447 -11.770 1.793 703 1HD LYS 92 HD2 LYS 92 8.641 -14.264 0.211 704 2HD LYS 92 HD3 LYS 92 8.488 -13.983 1.944 705 1HE LYS 92 HE2 LYS 92 6.318 -13.655 1.213 706 2HE LYS 92 HE3 LYS 92 6.918 -12.000 1.317 707 1HZ LYS 92 HZ2 LYS 92 6.726 -13.650 -1.115 708 2HZ LYS 92 HZ3 LYS 92 5.712 -12.422 -0.696 709 3HZ LYS 92 HZ1 LYS 92 7.280 -12.100 -1.072 710 H GLY 93 H GLY 93 12.480 -10.924 -2.594 711 1HA GLY 93 HA2 GLY 93 11.254 -8.692 -4.085 712 2HA GLY 93 HA3 GLY 93 12.743 -9.569 -4.484 713 HA PRO 94 HA PRO 94 9.144 -11.276 -7.022 714 1HB PRO 94 HB2 PRO 94 9.763 -10.188 -9.496 715 2HB PRO 94 HB3 PRO 94 8.729 -9.364 -8.297 716 1HG PRO 94 HG2 PRO 94 11.698 -8.990 -8.773 717 2HG PRO 94 HG3 PRO 94 10.440 -7.723 -8.658 718 1HD PRO 94 HD2 PRO 94 12.003 -8.405 -6.535 719 2HD PRO 94 HD3 PRO 94 10.272 -7.995 -6.309 720 HA PRO 95 HA PRO 95 8.804 -12.241 -9.500 721 1HB PRO 95 HB2 PRO 95 8.486 -14.822 -10.264 722 2HB PRO 95 HB3 PRO 95 9.553 -13.686 -11.138 723 1HG PRO 95 HG2 PRO 95 10.357 -15.721 -9.040 724 2HG PRO 95 HG3 PRO 95 11.091 -15.463 -10.650 725 1HD PRO 95 HD2 PRO 95 12.135 -14.341 -8.381 726 2HD PRO 95 HD3 PRO 95 12.149 -13.457 -9.932 727 H TYR 96 H TYR 96 6.920 -12.330 -8.378 728 HA TYR 96 HA TYR 96 6.781 -13.821 -5.844 729 1HB TYR 96 HB2 TYR 96 4.807 -12.020 -7.277 730 2HB TYR 96 HB3 TYR 96 4.564 -12.723 -5.677 731 HD1 TYR 96 HD2 TYR 96 6.457 -12.256 -3.906 732 HD2 TYR 96 HD1 TYR 96 5.834 -9.878 -7.450 733 HE1 TYR 96 HE2 TYR 96 7.882 -10.485 -2.964 734 HE2 TYR 96 HE1 TYR 96 7.315 -8.123 -6.517 735 HH TYR 96 HH TYR 96 8.905 -8.448 -3.343 736 H ALA 97 H ALA 97 4.907 -15.241 -5.446 737 HA ALA 97 HA ALA 97 3.898 -16.708 -7.808 738 1HB ALA 97 HB2 ALA 97 5.398 -17.969 -5.466 739 2HB ALA 97 HB3 ALA 97 4.574 -18.854 -6.770 740 3HB ALA 97 HB1 ALA 97 5.995 -17.856 -7.136 741 H VAL 98 H VAL 98 2.228 -18.296 -7.027 742 HA VAL 98 HA VAL 98 0.330 -16.854 -5.378 743 HB VAL 98 HB VAL 98 0.114 -19.581 -6.707 744 1HG1 VAL 98 HG12 VAL 98 -2.039 -17.566 -5.919 745 2HG1 VAL 98 HG13 VAL 98 -2.312 -19.093 -6.774 746 3HG1 VAL 98 HG11 VAL 98 -1.746 -19.116 -5.107 747 1HG2 VAL 98 HG23 VAL 98 -0.478 -16.841 -7.876 748 2HG2 VAL 98 HG21 VAL 98 0.729 -18.003 -8.452 749 3HG2 VAL 98 HG22 VAL 98 -0.984 -18.380 -8.589 750 H MET 99 H MET 99 2.141 -17.115 -3.581 751 HA MET 99 HA MET 99 1.422 -19.395 -1.787 752 1HB MET 99 HB2 MET 99 4.221 -18.729 -2.693 753 2HB MET 99 HB3 MET 99 3.788 -19.788 -1.335 754 1HG MET 99 HG2 MET 99 2.401 -21.155 -3.009 755 2HG MET 99 HG3 MET 99 3.231 -20.245 -4.279 756 1HE MET 99 HE2 MET 99 5.897 -20.197 -4.454 757 2HE MET 99 HE3 MET 99 6.129 -19.991 -2.698 758 3HE MET 99 HE1 MET 99 6.970 -21.303 -3.557 759 HA PRO 100 HA PRO 100 1.676 -15.571 0.726 760 1HB PRO 100 HB2 PRO 100 0.070 -17.404 2.537 761 2HB PRO 100 HB3 PRO 100 -0.128 -15.654 2.236 762 1HG PRO 100 HG2 PRO 100 -1.747 -17.419 1.051 763 2HG PRO 100 HG3 PRO 100 -1.031 -16.081 0.091 764 1HD PRO 100 HD2 PRO 100 -0.041 -18.965 0.293 765 2HD PRO 100 HD3 PRO 100 -0.358 -18.009 -1.183 766 H VAL 101 H VAL 101 4.047 -16.415 0.712 767 HA VAL 101 HA VAL 101 4.870 -17.887 3.124 768 HB VAL 101 HB VAL 101 6.560 -16.235 1.201 769 1HG1 VAL 101 HG12 VAL 101 7.278 -18.462 3.173 770 2HG1 VAL 101 HG13 VAL 101 8.395 -17.694 2.029 771 3HG1 VAL 101 HG11 VAL 101 7.707 -16.750 3.348 772 1HG2 VAL 101 HG21 VAL 101 5.859 -19.206 1.176 773 2HG2 VAL 101 HG22 VAL 101 5.419 -18.011 -0.062 774 3HG2 VAL 101 HG23 VAL 101 7.110 -18.445 0.173 775 H ILE 102 H ILE 102 3.328 -16.430 4.297 776 HA ILE 102 HA ILE 102 4.078 -13.668 4.719 777 HB ILE 102 HB ILE 102 2.181 -13.696 6.319 778 1HG1 ILE 102 HG12 ILE 102 1.542 -16.485 5.292 779 2HG1 ILE 102 HG13 ILE 102 2.277 -16.153 6.867 780 1HG2 ILE 102 HG21 ILE 102 2.009 -13.002 3.949 781 2HG2 ILE 102 HG22 ILE 102 1.669 -14.670 3.469 782 3HG2 ILE 102 HG23 ILE 102 0.503 -13.780 4.465 783 1HD1 ILE 102 HD13 ILE 102 0.315 -14.732 7.463 784 2HD1 ILE 102 HD11 ILE 102 -0.456 -15.204 5.930 785 3HD1 ILE 102 HD12 ILE 102 -0.093 -16.430 7.153 786 H ASP 103 H ASP 103 4.688 -16.595 6.509 787 HA ASP 103 HA ASP 103 5.204 -15.660 9.031 788 1HB ASP 103 HB2 ASP 103 6.891 -17.683 7.506 789 2HB ASP 103 HB3 ASP 103 7.009 -17.360 9.245 790 HD2 ASP 103 HD ASP 103 4.328 -19.390 9.914 791 HA PRO 104 HA PRO 104 9.316 -13.498 8.061 792 1HB PRO 104 HB2 PRO 104 10.443 -13.404 5.603 793 2HB PRO 104 HB3 PRO 104 10.588 -14.843 6.645 794 1HG PRO 104 HG2 PRO 104 8.520 -14.393 4.460 795 2HG PRO 104 HG3 PRO 104 9.657 -15.770 4.613 796 1HD PRO 104 HD2 PRO 104 7.143 -15.956 5.582 797 2HD PRO 104 HD3 PRO 104 8.529 -16.599 6.511 798 H ILE 105 H ILE 105 7.110 -12.211 8.334 799 HA ILE 105 HA ILE 105 7.175 -10.016 6.311 800 HB ILE 105 HB ILE 105 4.825 -11.152 7.798 801 1HG1 ILE 105 HG12 ILE 105 5.570 -11.914 5.430 802 2HG1 ILE 105 HG13 ILE 105 3.872 -11.475 5.662 803 1HG2 ILE 105 HG23 ILE 105 4.988 -8.381 6.559 804 2HG2 ILE 105 HG21 ILE 105 3.482 -9.238 6.972 805 3HG2 ILE 105 HG22 ILE 105 4.627 -8.809 8.241 806 1HD1 ILE 105 HD11 ILE 105 5.822 -9.413 4.596 807 2HD1 ILE 105 HD12 ILE 105 5.116 -10.657 3.541 808 3HD1 ILE 105 HD13 ILE 105 4.069 -9.534 4.400 809 H VAL 106 H VAL 106 7.329 -7.910 7.097 810 HA VAL 106 HA VAL 106 8.335 -7.812 9.907 811 HB VAL 106 HB VAL 106 8.838 -5.946 7.549 812 1HG1 VAL 106 HG12 VAL 106 10.054 -6.040 10.351 813 2HG1 VAL 106 HG13 VAL 106 10.585 -4.991 9.023 814 3HG1 VAL 106 HG11 VAL 106 8.989 -4.759 9.741 815 1HG2 VAL 106 HG21 VAL 106 10.595 -8.050 8.875 816 2HG2 VAL 106 HG22 VAL 106 9.931 -8.132 7.231 817 3HG2 VAL 106 HG23 VAL 106 11.120 -6.892 7.637 818 H ALA 107 H ALA 107 7.034 -5.174 7.949 819 HA ALA 107 HA ALA 107 4.994 -4.631 10.081 820 1HB ALA 107 HB1 ALA 107 6.546 -2.737 9.645 821 2HB ALA 107 HB2 ALA 107 6.128 -2.777 7.921 822 3HB ALA 107 HB3 ALA 107 4.900 -2.344 9.125 823 H GLY 108 H GLY 108 2.764 -4.064 9.241 824 1HA GLY 108 HA2 GLY 108 2.013 -3.988 6.628 825 2HA GLY 108 HA3 GLY 108 2.123 -5.734 6.973 826 H THR 109 H THR 109 -0.241 -4.895 6.160 827 HA THR 109 HA THR 109 -1.967 -4.604 8.584 828 HB THR 109 HB THR 109 -3.649 -4.019 6.674 829 HG1 THR 109 HG1 THR 109 -1.173 -3.566 5.338 830 1HG2 THR 109 HG21 THR 109 -1.276 -2.295 7.439 831 2HG2 THR 109 HG22 THR 109 -2.745 -1.672 6.643 832 3HG2 THR 109 HG23 THR 109 -2.838 -2.386 8.270 833 H GLY 110 H GLY 110 -3.111 -6.290 9.245 834 1HA GLY 110 HA2 GLY 110 -3.056 -8.811 7.738 835 2HA GLY 110 HA3 GLY 110 -3.737 -8.494 9.335 836 H PHE 111 H PHE 111 -4.278 -7.298 6.004 837 HA PHE 111 HA PHE 111 -6.035 -7.246 4.584 838 1HB PHE 111 HB2 PHE 111 -7.578 -9.085 6.378 839 2HB PHE 111 HB3 PHE 111 -7.779 -8.847 4.681 840 HD1 PHE 111 HD2 PHE 111 -6.120 -9.819 3.028 841 HD2 PHE 111 HD1 PHE 111 -5.991 -10.725 7.241 842 HE1 PHE 111 HE2 PHE 111 -4.704 -11.814 2.580 843 HE2 PHE 111 HE1 PHE 111 -4.437 -12.588 6.795 844 HZ PHE 111 HZ PHE 111 -3.788 -13.140 4.461 845 H SER 112 H SER 112 -6.837 -5.087 4.625 846 HA SER 112 HA SER 112 -8.205 -4.180 7.024 847 1HB SER 112 HB2 SER 112 -8.378 -2.050 5.381 848 2HB SER 112 HB3 SER 112 -6.898 -2.495 6.239 849 HG SER 112 HG SER 112 -6.444 -2.179 4.061 850 HA PRO 113 HA PRO 113 -12.412 -4.641 6.008 851 1HB PRO 113 HB2 PRO 113 -12.892 -1.670 6.178 852 2HB PRO 113 HB3 PRO 113 -13.733 -2.982 7.051 853 1HG PRO 113 HG2 PRO 113 -11.902 -1.413 8.299 854 2HG PRO 113 HG3 PRO 113 -11.924 -3.183 8.600 855 1HD PRO 113 HD2 PRO 113 -10.134 -1.624 6.734 856 2HD PRO 113 HD3 PRO 113 -9.699 -2.894 7.909 857 H VAL 114 H VAL 114 -14.112 -4.261 4.386 858 HA VAL 114 HA VAL 114 -13.375 -2.629 2.008 859 HB VAL 114 HB VAL 114 -14.247 -4.704 0.686 860 1HG1 VAL 114 HG11 VAL 114 -12.063 -3.691 0.417 861 2HG1 VAL 114 HG12 VAL 114 -11.462 -4.556 1.845 862 3HG1 VAL 114 HG13 VAL 114 -11.949 -5.451 0.385 863 1HG2 VAL 114 HG21 VAL 114 -14.759 -6.121 2.715 864 2HG2 VAL 114 HG22 VAL 114 -13.593 -6.849 1.603 865 3HG2 VAL 114 HG23 VAL 114 -13.021 -6.129 3.101 866 HA PRO 115 HA PRO 115 -17.750 -1.794 3.139 867 1HB PRO 115 HB2 PRO 115 -16.793 0.586 1.544 868 2HB PRO 115 HB3 PRO 115 -17.969 0.569 2.895 869 1HG PRO 115 HG2 PRO 115 -15.416 1.316 3.400 870 2HG PRO 115 HG3 PRO 115 -16.185 0.113 4.479 871 1HD PRO 115 HD2 PRO 115 -14.297 -0.410 2.165 872 2HD PRO 115 HD3 PRO 115 -14.263 -1.084 3.815 873 H LYS 116 H LYS 116 -19.582 -1.311 1.659 874 HA LYS 116 HA LYS 116 -19.155 -2.622 -0.933 875 1HB LYS 116 HB2 LYS 116 -21.724 -1.946 0.534 876 2HB LYS 116 HB3 LYS 116 -21.590 -2.927 -0.938 877 1HG LYS 116 HG2 LYS 116 -20.089 -4.519 0.335 878 2HG LYS 116 HG3 LYS 116 -20.474 -3.641 1.819 879 1HD LYS 116 HD2 LYS 116 -22.483 -5.041 -0.011 880 2HD LYS 116 HD3 LYS 116 -21.860 -5.668 1.523 881 1HE LYS 116 HE2 LYS 116 -22.849 -3.681 2.706 882 2HE LYS 116 HE3 LYS 116 -23.563 -3.155 1.168 883 1HZ LYS 116 HZ1 LYS 116 -24.111 -5.699 2.514 884 2HZ LYS 116 HZ2 LYS 116 -25.104 -4.386 2.474 885 3HZ LYS 116 HZ3 LYS 116 -24.766 -5.202 1.084 886 H ASP 117 H ASP 117 -19.748 0.422 0.246 887 HA ASP 117 HA ASP 117 -19.474 1.857 -2.163 888 1HB ASP 117 HB2 ASP 117 -21.714 2.639 -2.652 889 2HB ASP 117 HB3 ASP 117 -21.794 0.884 -2.690 890 HD1 ASP 117 HD ASP 117 -23.739 0.773 0.265 891 H GLY 118 H GLY 118 -19.817 4.182 -1.828 892 1HA GLY 118 HA2 GLY 118 -19.938 6.146 -0.720 893 2HA GLY 118 HA3 GLY 118 -20.831 5.382 0.591 894 H LYS 119 H LYS 119 -19.284 3.708 1.826 895 HA LYS 119 HA LYS 119 -17.261 5.397 3.059 896 1HB LYS 119 HB2 LYS 119 -18.389 2.657 3.712 897 2HB LYS 119 HB3 LYS 119 -17.014 3.358 4.582 898 1HG LYS 119 HG2 LYS 119 -18.349 5.305 5.215 899 2HG LYS 119 HG3 LYS 119 -19.764 4.644 4.366 900 1HD LYS 119 HD2 LYS 119 -19.707 2.641 5.844 901 2HD LYS 119 HD3 LYS 119 -18.296 3.291 6.694 902 1HE LYS 119 HE2 LYS 119 -21.049 4.619 6.574 903 2HE LYS 119 HE3 LYS 119 -20.423 3.666 7.929 904 1HZ LYS 119 HZ1 LYS 119 -18.654 5.258 8.161 905 2HZ LYS 119 HZ2 LYS 119 -19.260 6.168 6.927 906 3HZ LYS 119 HZ3 LYS 119 -20.128 5.978 8.312 907 H PHE 120 H PHE 120 -15.104 4.618 3.433 908 HA PHE 120 HA PHE 120 -13.960 2.845 1.319 909 1HB PHE 120 HB2 PHE 120 -13.629 5.759 1.855 910 2HB PHE 120 HB3 PHE 120 -12.178 4.919 1.424 911 HD1 PHE 120 HD1 PHE 120 -12.167 3.530 -0.775 912 HD2 PHE 120 HD2 PHE 120 -15.572 5.861 0.304 913 HE1 PHE 120 HE1 PHE 120 -12.868 3.568 -3.146 914 HE2 PHE 120 HE2 PHE 120 -16.416 5.715 -2.014 915 HZ PHE 120 HZ PHE 120 -14.992 4.735 -3.787 916 H GLY 121 H GLY 121 -12.933 1.304 2.384 917 1HA GLY 121 HA2 GLY 121 -12.168 1.361 5.148 918 2HA GLY 121 HA3 GLY 121 -11.721 0.149 3.944 919 H TYR 122 H TYR 122 -10.495 2.606 5.930 920 HA TYR 122 HA TYR 122 -8.008 2.706 4.362 921 1HB TYR 122 HB2 TYR 122 -7.685 4.993 4.532 922 2HB TYR 122 HB3 TYR 122 -9.370 4.864 4.103 923 HD1 TYR 122 HD2 TYR 122 -10.946 4.890 6.296 924 HD2 TYR 122 HD1 TYR 122 -6.924 6.368 6.215 925 HE1 TYR 122 HE2 TYR 122 -11.489 6.465 8.169 926 HE2 TYR 122 HE1 TYR 122 -7.415 7.843 8.127 927 HH TYR 122 HH TYR 122 -9.013 8.592 9.606 928 H THR 123 H THR 123 -6.155 3.218 5.508 929 HA THR 123 HA THR 123 -6.087 2.889 8.414 930 HB THR 123 HB THR 123 -5.378 0.647 6.460 931 HG1 THR 123 HG1 THR 123 -6.993 0.887 8.719 932 1HG2 THR 123 HG21 THR 123 -4.351 1.140 9.249 933 2HG2 THR 123 HG22 THR 123 -4.481 -0.497 8.582 934 3HG2 THR 123 HG23 THR 123 -3.435 0.702 7.802 935 H ASP 124 H ASP 124 -4.664 4.485 8.772 936 HA ASP 124 HA ASP 124 -2.285 4.999 7.051 937 1HB ASP 124 HB2 ASP 124 -3.371 6.336 9.563 938 2HB ASP 124 HB3 ASP 124 -1.887 6.795 8.758 939 HD2 ASP 124 HD ASP 124 -2.288 7.613 6.357 940 H PHE 125 H PHE 125 -1.490 2.689 7.530 941 HA PHE 125 HA PHE 125 -0.845 2.257 10.373 942 1HB PHE 125 HB2 PHE 125 0.045 0.228 9.962 943 2HB PHE 125 HB3 PHE 125 -1.444 0.338 9.055 944 HD1 PHE 125 HD1 PHE 125 -1.316 0.399 6.501 945 HD2 PHE 125 HD2 PHE 125 2.203 -0.084 8.954 946 HE1 PHE 125 HE1 PHE 125 -0.267 -0.984 4.739 947 HE2 PHE 125 HE2 PHE 125 3.281 -1.384 7.147 948 HZ PHE 125 HZ PHE 125 2.024 -1.924 5.091 949 H THR 126 H THR 126 1.010 2.723 11.304 950 HA THR 126 HA THR 126 2.858 4.493 9.791 951 HB THR 126 HB THR 126 2.280 4.317 12.766 952 HG1 THR 126 HG1 THR 126 0.519 5.022 11.325 953 1HG2 THR 126 HG21 THR 126 3.702 6.378 11.043 954 2HG2 THR 126 HG22 THR 126 3.331 6.578 12.770 955 3HG2 THR 126 HG23 THR 126 4.487 5.332 12.253 956 H TRP 127 H TRP 127 4.907 3.848 9.414 957 HA TRP 127 HA TRP 127 6.222 1.864 11.188 958 1HB TRP 127 HB2 TRP 127 5.361 0.638 9.267 959 2HB TRP 127 HB3 TRP 127 5.958 1.852 8.148 960 HD1 TRP 127 HD1 TRP 127 7.799 -0.139 10.870 961 HE1 TRP 127 HE1 TRP 127 9.847 -1.302 9.851 962 HE3 TRP 127 HE3 TRP 127 7.163 1.264 6.016 963 HZ2 TRP 127 HZ2 TRP 127 11.008 -1.626 7.204 964 HZ3 TRP 127 HZ3 TRP 127 8.851 0.669 4.304 965 HH2 TRP 127 HH2 TRP 127 10.713 -0.820 4.850 966 H HIS 128 H HIS 128 8.575 1.940 11.025 967 HA HIS 128 HA HIS 128 9.696 4.506 10.037 968 1HB HIS 128 HB2 HIS 128 10.283 3.115 12.655 969 2HB HIS 128 HB3 HIS 128 11.256 4.412 11.949 970 HD1 HIS 128 HD1 HIS 128 7.890 3.899 13.691 971 HD2 HIS 128 HD2 HIS 128 10.064 6.860 11.630 972 HE1 HIS 128 HE1 HIS 128 6.606 6.104 13.998 973 HE2 HIS 128 HE2 HIS 128 7.938 7.896 12.716 974 HA PRO 129 HA PRO 129 11.842 1.073 8.015 975 1HB PRO 129 HB2 PRO 129 12.595 2.266 5.760 976 2HB PRO 129 HB3 PRO 129 10.863 2.150 6.171 977 1HG PRO 129 HG2 PRO 129 12.686 4.535 6.628 978 2HG PRO 129 HG3 PRO 129 11.094 4.518 5.842 979 1HD PRO 129 HD2 PRO 129 11.470 5.065 8.518 980 2HD PRO 129 HD3 PRO 129 9.969 4.308 7.873 981 H THR 130 H THR 130 14.006 0.346 7.792 982 HA THR 130 HA THR 130 16.218 2.057 8.772 983 HB THR 130 HB THR 130 17.397 -0.182 8.734 984 HG1 THR 130 HG1 THR 130 16.099 -1.123 7.126 985 1HG2 THR 130 HG22 THR 130 16.267 0.624 10.794 986 2HG2 THR 130 HG23 THR 130 14.761 -0.171 10.285 987 3HG2 THR 130 HG21 THR 130 16.198 -1.145 10.648 988 H ALA 131 H ALA 131 18.109 2.330 7.433 989 HA ALA 131 HA ALA 131 17.645 2.670 4.676 990 1HB ALA 131 HB1 ALA 131 19.408 3.854 5.915 991 2HB ALA 131 HB2 ALA 131 20.331 2.338 6.044 992 3HB ALA 131 HB3 ALA 131 20.020 3.071 4.450 993 H GLY 132 H GLY 132 18.430 1.561 2.854 994 1HA GLY 132 HA2 GLY 132 19.573 -0.296 1.824 995 2HA GLY 132 HA3 GLY 132 18.911 -1.387 3.075 996 H THR 133 H THR 133 17.064 -2.489 2.284 997 HA THR 133 HA THR 133 15.199 -1.083 0.560 998 HB THR 133 HB THR 133 16.724 -3.503 -0.502 999 HG1 THR 133 HG1 THR 133 17.118 -0.765 -0.740 1000 1HG2 THR 133 HG22 THR 133 14.674 -1.676 -1.837 1001 2HG2 THR 133 HG23 THR 133 15.645 -2.908 -2.662 1002 3HG2 THR 133 HG21 THR 133 14.457 -3.399 -1.451 1003 H TYR 134 H TYR 134 13.253 -2.109 0.340 1004 HA TYR 134 HA TYR 134 12.692 -4.696 1.595 1005 1HB TYR 134 HB2 TYR 134 11.358 -2.040 2.293 1006 2HB TYR 134 HB3 TYR 134 10.626 -3.589 2.634 1007 HD1 TYR 134 HD2 TYR 134 13.268 -1.209 3.577 1008 HD2 TYR 134 HD1 TYR 134 11.351 -4.957 4.504 1009 HE1 TYR 134 HE2 TYR 134 13.981 -1.007 5.917 1010 HE2 TYR 134 HE1 TYR 134 12.226 -4.833 6.805 1011 HH TYR 134 HH TYR 134 14.304 -2.215 7.974 1012 H TYR 135 H TYR 135 10.266 -5.108 1.030 1013 HA TYR 135 HA TYR 135 9.427 -3.966 -1.533 1014 1HB TYR 135 HB2 TYR 135 9.711 -6.926 -0.886 1015 2HB TYR 135 HB3 TYR 135 8.742 -6.302 -2.213 1016 HD1 TYR 135 HD1 TYR 135 12.235 -6.625 -0.949 1017 HD2 TYR 135 HD2 TYR 135 9.713 -5.698 -4.314 1018 HE1 TYR 135 HE1 TYR 135 14.177 -6.849 -2.449 1019 HE2 TYR 135 HE2 TYR 135 11.662 -5.965 -5.829 1020 HH TYR 135 HH TYR 135 14.926 -6.758 -4.633 1021 H TYR 136 H TYR 136 7.116 -4.085 -1.723 1022 HA TYR 136 HA TYR 136 5.665 -4.919 0.741 1023 1HB TYR 136 HB2 TYR 136 3.929 -3.357 0.219 1024 2HB TYR 136 HB3 TYR 136 5.457 -2.537 0.494 1025 HD1 TYR 136 HD1 TYR 136 6.655 -1.425 -1.355 1026 HD2 TYR 136 HD2 TYR 136 2.785 -3.213 -1.945 1027 HE1 TYR 136 HE1 TYR 136 6.204 0.167 -3.203 1028 HE2 TYR 136 HE2 TYR 136 2.389 -1.673 -3.880 1029 HH TYR 136 HH TYR 136 4.749 0.750 -4.888 1030 H VAL 137 H VAL 137 3.782 -6.155 0.433 1031 HA VAL 137 HA VAL 137 2.982 -6.948 -2.265 1032 HB VAL 137 HB VAL 137 3.153 -9.330 -1.790 1033 1HG1 VAL 137 HG11 VAL 137 5.012 -8.280 -3.025 1034 2HG1 VAL 137 HG12 VAL 137 5.907 -8.077 -1.500 1035 3HG1 VAL 137 HG13 VAL 137 5.502 -9.695 -2.087 1036 1HG2 VAL 137 HG21 VAL 137 4.711 -8.538 0.721 1037 2HG2 VAL 137 HG22 VAL 137 3.131 -9.350 0.687 1038 3HG2 VAL 137 HG23 VAL 137 4.561 -10.182 0.076 1039 H CYS 138 H CYS 138 0.804 -7.782 -2.316 1040 HA CYS 138 HA CYS 138 -0.763 -7.559 0.186 1041 1HB CYS 138 HB2 CYS 138 -1.724 -6.869 -1.975 1042 2HB CYS 138 HB3 CYS 138 -1.446 -8.496 -2.602 1043 H GLN 139 H GLN 139 -1.597 -9.371 1.372 1044 HA GLN 139 HA GLN 139 0.098 -11.749 1.157 1045 1HB GLN 139 HB2 GLN 139 -2.193 -11.155 3.057 1046 2HB GLN 139 HB3 GLN 139 -1.014 -12.452 3.206 1047 1HG GLN 139 HG2 GLN 139 0.806 -10.822 3.497 1048 2HG GLN 139 HG3 GLN 139 -0.312 -9.484 3.235 1049 1HE2 GLN 139 HE21 GLN 139 -0.157 -11.240 6.909 1050 2HE2 GLN 139 HE22 GLN 139 0.772 -11.904 5.580 1051 H ILE 140 H ILE 140 -3.051 -10.959 -0.102 1052 HA ILE 140 HA ILE 140 -4.192 -13.567 0.036 1053 HB ILE 140 HB ILE 140 -4.696 -11.305 -1.899 1054 1HG1 ILE 140 HG12 ILE 140 -6.094 -12.204 0.656 1055 2HG1 ILE 140 HG13 ILE 140 -5.154 -10.719 0.438 1056 1HG2 ILE 140 HG21 ILE 140 -5.459 -13.509 -2.834 1057 2HG2 ILE 140 HG22 ILE 140 -6.419 -13.765 -1.360 1058 3HG2 ILE 140 HG23 ILE 140 -6.804 -12.443 -2.472 1059 1HD1 ILE 140 HD13 ILE 140 -6.858 -9.935 -1.227 1060 2HD1 ILE 140 HD11 ILE 140 -7.846 -11.358 -0.818 1061 3HD1 ILE 140 HD12 ILE 140 -7.472 -10.157 0.416 1062 HA PRO 141 HA PRO 141 -1.279 -15.990 -2.159 1063 1HB PRO 141 HB2 PRO 141 -3.742 -16.998 -3.628 1064 2HB PRO 141 HB3 PRO 141 -2.303 -17.919 -3.099 1065 1HG PRO 141 HG2 PRO 141 -4.567 -17.797 -1.579 1066 2HG PRO 141 HG3 PRO 141 -2.952 -17.765 -0.838 1067 1HD PRO 141 HD2 PRO 141 -4.904 -15.548 -1.160 1068 2HD PRO 141 HD3 PRO 141 -3.593 -15.735 0.038 1069 H GLY 142 H GLY 142 -3.586 -15.371 -4.863 1070 1HA GLY 142 HA2 GLY 142 -1.333 -15.144 -6.649 1071 2HA GLY 142 HA3 GLY 142 -3.041 -14.962 -7.057 1072 H HIS 143 H HIS 143 -2.456 -12.759 -4.538 1073 HA HIS 143 HA HIS 143 -2.783 -10.613 -6.486 1074 1HB HIS 143 HB2 HIS 143 -2.581 -10.639 -3.466 1075 2HB HIS 143 HB3 HIS 143 -2.751 -9.206 -4.440 1076 HD2 HIS 143 HD2 HIS 143 -4.812 -12.108 -5.825 1077 HE1 HIS 143 HE1 HIS 143 -7.538 -9.598 -3.765 1078 HE2 HIS 143 HE2 HIS 143 -7.307 -11.564 -5.351 1079 H ALA 144 H ALA 144 -0.174 -11.529 -4.172 1080 HA ALA 144 HA ALA 144 1.679 -9.523 -5.038 1081 1HB ALA 144 HB3 ALA 144 1.965 -10.895 -2.992 1082 2HB ALA 144 HB1 ALA 144 2.369 -12.295 -4.014 1083 3HB ALA 144 HB2 ALA 144 3.393 -10.835 -4.048 1084 H ALA 145 H ALA 145 0.941 -12.851 -6.164 1085 HA ALA 145 HA ALA 145 2.954 -13.114 -8.114 1086 1HB ALA 145 HB2 ALA 145 1.430 -14.937 -7.285 1087 2HB ALA 145 HB3 ALA 145 0.152 -14.270 -8.316 1088 3HB ALA 145 HB1 ALA 145 1.642 -14.885 -9.044 1089 H THR 146 H THR 146 -0.374 -11.772 -8.486 1090 HA THR 146 HA THR 146 0.058 -11.258 -11.308 1091 HB THR 146 HB THR 146 -2.186 -10.127 -11.141 1092 HG1 THR 146 HG1 THR 146 -2.248 -11.267 -8.557 1093 1HG2 THR 146 HG21 THR 146 -1.938 -13.003 -10.139 1094 2HG2 THR 146 HG22 THR 146 -3.411 -12.256 -10.793 1095 3HG2 THR 146 HG23 THR 146 -1.987 -12.465 -11.826 1096 H GLY 147 H GLY 147 -0.481 -8.954 -8.521 1097 1HA GLY 147 HA2 GLY 147 1.418 -7.064 -9.551 1098 2HA GLY 147 HA3 GLY 147 -0.151 -6.708 -10.273 1099 H MET 148 H MET 148 0.299 -7.888 -6.910 1100 HA MET 148 HA MET 148 -0.378 -5.125 -5.925 1101 1HB MET 148 HB2 MET 148 -0.918 -7.792 -4.591 1102 2HB MET 148 HB3 MET 148 -1.397 -6.165 -4.057 1103 1HG MET 148 HG2 MET 148 -2.503 -6.154 -6.464 1104 2HG MET 148 HG3 MET 148 -2.548 -7.884 -6.234 1105 1HE MET 148 HE2 MET 148 -4.106 -4.515 -5.726 1106 2HE MET 148 HE3 MET 148 -5.070 -4.612 -4.242 1107 3HE MET 148 HE1 MET 148 -3.288 -4.604 -4.151 1108 H PHE 149 H PHE 149 2.074 -4.851 -6.311 1109 HA PHE 149 HA PHE 149 3.385 -5.279 -3.783 1110 1HB PHE 149 HB2 PHE 149 5.268 -6.633 -4.726 1111 2HB PHE 149 HB3 PHE 149 3.749 -7.455 -4.875 1112 HD1 PHE 149 HD1 PHE 149 6.312 -5.540 -6.825 1113 HD2 PHE 149 HD2 PHE 149 2.792 -8.021 -7.002 1114 HE1 PHE 149 HE1 PHE 149 6.737 -5.982 -9.220 1115 HE2 PHE 149 HE2 PHE 149 3.317 -8.600 -9.348 1116 HZ PHE 149 HZ PHE 149 5.267 -7.546 -10.481 1117 H GLY 150 H GLY 150 5.932 -4.576 -4.179 1118 1HA GLY 150 HA2 GLY 150 6.845 -2.912 -6.255 1119 2HA GLY 150 HA3 GLY 150 5.929 -1.860 -5.191 1120 H LYS 151 H LYS 151 8.500 -1.332 -5.462 1121 HA LYS 151 HA LYS 151 10.121 -2.703 -3.379 1122 1HB LYS 151 HB2 LYS 151 10.675 -1.115 -5.870 1123 2HB LYS 151 HB3 LYS 151 11.890 -1.120 -4.575 1124 1HG LYS 151 HG2 LYS 151 11.995 -3.514 -4.592 1125 2HG LYS 151 HG3 LYS 151 10.750 -3.625 -5.861 1126 1HD LYS 151 HD2 LYS 151 13.466 -2.242 -6.159 1127 2HD LYS 151 HD3 LYS 151 13.130 -3.906 -6.660 1128 1HE LYS 151 HE2 LYS 151 11.352 -3.067 -8.217 1129 2HE LYS 151 HE3 LYS 151 11.786 -1.405 -7.786 1130 1HZ LYS 151 HZ2 LYS 151 13.978 -1.812 -8.605 1131 2HZ LYS 151 HZ3 LYS 151 13.581 -3.356 -9.025 1132 3HZ LYS 151 HZ1 LYS 151 12.850 -2.083 -9.773 1133 H ILE 152 H ILE 152 11.095 -1.598 -1.746 1134 HA ILE 152 HA ILE 152 10.474 1.300 -1.302 1135 HB ILE 152 HB ILE 152 10.414 -1.088 0.560 1136 1HG1 ILE 152 HG12 ILE 152 8.441 1.175 0.617 1137 2HG1 ILE 152 HG13 ILE 152 8.314 -0.043 -0.658 1138 1HG2 ILE 152 HG22 ILE 152 10.950 1.817 1.210 1139 2HG2 ILE 152 HG23 ILE 152 10.114 0.791 2.389 1140 3HG2 ILE 152 HG21 ILE 152 11.735 0.367 1.865 1141 1HD1 ILE 152 HD11 ILE 152 8.418 -0.718 2.321 1142 2HD1 ILE 152 HD12 ILE 152 6.938 -0.614 1.345 1143 3HD1 ILE 152 HD13 ILE 152 8.162 -1.847 0.980 1144 H VAL 153 H VAL 153 12.493 2.133 -1.931 1145 HA VAL 153 HA VAL 153 14.964 0.760 -0.942 1146 HB VAL 153 HB VAL 153 14.790 3.276 -2.587 1147 1HG1 VAL 153 HG12 VAL 153 16.991 1.178 -2.097 1148 2HG1 VAL 153 HG13 VAL 153 17.154 2.582 -3.173 1149 3HG1 VAL 153 HG11 VAL 153 16.944 2.810 -1.433 1150 1HG2 VAL 153 HG23 VAL 153 15.006 0.397 -3.613 1151 2HG2 VAL 153 HG21 VAL 153 13.692 1.544 -3.961 1152 3HG2 VAL 153 HG22 VAL 153 15.313 1.844 -4.598 1153 H VAL 154 H VAL 154 16.096 1.761 0.776 1154 HA VAL 154 HA VAL 154 14.874 4.255 1.876 1155 HB VAL 154 HB VAL 154 15.872 1.901 3.482 1156 1HG1 VAL 154 HG12 VAL 154 15.840 4.191 4.527 1157 2HG1 VAL 154 HG13 VAL 154 14.113 4.314 4.162 1158 3HG1 VAL 154 HG11 VAL 154 14.694 3.096 5.310 1159 1HG2 VAL 154 HG21 VAL 154 13.001 2.562 2.728 1160 2HG2 VAL 154 HG22 VAL 154 13.918 1.107 2.256 1161 3HG2 VAL 154 HG23 VAL 154 13.514 1.366 3.944 1162 H LYS 155 H LYS 155 16.469 5.867 2.077 1163 HA LYS 155 HA LYS 155 19.245 5.016 2.718 1164 1HB LYS 155 HB2 LYS 155 18.610 6.792 0.327 1165 2HB LYS 155 HB3 LYS 155 20.222 6.377 0.932 1166 1HG LYS 155 HG2 LYS 155 18.267 4.356 -0.229 1167 2HG LYS 155 HG3 LYS 155 19.515 5.175 -1.157 1168 1HD LYS 155 HD2 LYS 155 21.300 4.173 0.092 1169 2HD LYS 155 HD3 LYS 155 20.195 3.516 1.309 1170 1HE LYS 155 HE2 LYS 155 19.124 2.072 -0.370 1171 2HE LYS 155 HE3 LYS 155 20.207 2.705 -1.628 1172 1HZ LYS 155 HZ3 LYS 155 21.029 1.244 0.785 1173 2HZ LYS 155 HZ1 LYS 155 20.959 0.628 -0.742 1174 3HZ LYS 155 HZ2 LYS 155 22.044 1.815 -0.383 No H/Q in entry = 1174 Start of MODEL 6 1 H GLY 1 H GLY 1 2.310 -12.534 11.438 2 1HA GLY 1 HA2 GLY 1 0.062 -12.993 11.626 3 2HA GLY 1 HA3 GLY 1 0.421 -13.444 13.305 4 H THR 2 H THR 2 1.359 -10.808 14.127 5 HA THR 2 HA THR 2 -1.110 -9.593 14.947 6 HB THR 2 HB THR 2 0.607 -7.781 15.661 7 HG1 THR 2 HG1 THR 2 2.776 -8.532 15.508 8 1HG2 THR 2 HG23 THR 2 1.033 -10.663 16.602 9 2HG2 THR 2 HG21 THR 2 1.508 -9.197 17.483 10 3HG2 THR 2 HG22 THR 2 -0.209 -9.546 17.206 11 H LEU 3 H LEU 3 1.474 -8.664 12.683 12 HA LEU 3 HA LEU 3 1.611 -7.085 11.030 13 1HB LEU 3 HB2 LEU 3 -0.911 -8.586 10.677 14 2HB LEU 3 HB3 LEU 3 -0.817 -7.162 9.659 15 HG LEU 3 HG LEU 3 1.340 -7.948 8.742 16 1HD1 LEU 3 HD11 LEU 3 0.957 -10.344 10.581 17 2HD1 LEU 3 HD12 LEU 3 2.116 -10.279 9.239 18 3HD1 LEU 3 HD13 LEU 3 2.312 -9.192 10.613 19 1HD2 LEU 3 HD21 LEU 3 -0.805 -8.727 7.708 20 2HD2 LEU 3 HD22 LEU 3 0.474 -9.939 7.539 21 3HD2 LEU 3 HD23 LEU 3 -0.795 -10.147 8.763 22 H ASP 4 H ASP 4 -1.741 -6.115 11.187 23 HA ASP 4 HA ASP 4 -1.502 -4.117 13.147 24 1HB ASP 4 HB2 ASP 4 -0.056 -2.886 11.587 25 2HB ASP 4 HB3 ASP 4 -1.186 -3.171 10.261 26 HD1 ASP 4 HD ASP 4 -2.064 -0.360 12.986 27 H THR 5 H THR 5 -3.590 -3.173 13.427 28 HA THR 5 HA THR 5 -5.812 -4.210 11.728 29 HB THR 5 HB THR 5 -6.936 -4.556 13.977 30 HG1 THR 5 HG1 THR 5 -5.488 -4.624 15.758 31 1HG2 THR 5 HG23 THR 5 -5.867 -6.443 12.707 32 2HG2 THR 5 HG21 THR 5 -4.364 -6.176 13.617 33 3HG2 THR 5 HG22 THR 5 -5.836 -6.671 14.466 34 H THR 6 H THR 6 -4.421 -1.448 11.911 35 HA THR 6 HA THR 6 -6.288 0.208 13.402 36 HB THR 6 HB THR 6 -4.025 1.062 11.526 37 HG1 THR 6 HG1 THR 6 -4.022 0.400 14.286 38 1HG2 THR 6 HG22 THR 6 -5.423 2.352 13.931 39 2HG2 THR 6 HG23 THR 6 -4.010 3.019 13.078 40 3HG2 THR 6 HG21 THR 6 -5.567 2.874 12.243 41 H TRP 7 H TRP 7 -8.027 -0.847 12.122 42 HA TRP 7 HA TRP 7 -8.504 -0.053 9.333 43 1HB TRP 7 HB2 TRP 7 -10.146 -1.553 11.425 44 2HB TRP 7 HB3 TRP 7 -10.654 -1.308 9.767 45 HD1 TRP 7 HD1 TRP 7 -10.926 -4.016 10.118 46 HE1 TRP 7 HE1 TRP 7 -9.360 -5.878 9.312 47 HE3 TRP 7 HE3 TRP 7 -6.565 -1.330 9.555 48 HZ2 TRP 7 HZ2 TRP 7 -6.549 -6.205 8.742 49 HZ3 TRP 7 HZ3 TRP 7 -4.463 -2.503 9.158 50 HH2 TRP 7 HH2 TRP 7 -4.488 -4.872 8.514 51 H LYS 8 H LYS 8 -9.873 1.605 8.635 52 HA LYS 8 HA LYS 8 -12.008 2.594 10.363 53 1HB LYS 8 HB2 LYS 8 -9.662 4.341 9.485 54 2HB LYS 8 HB3 LYS 8 -11.258 5.004 9.883 55 1HG LYS 8 HG2 LYS 8 -11.120 3.938 12.135 56 2HG LYS 8 HG3 LYS 8 -9.448 3.475 11.800 57 1HD LYS 8 HD2 LYS 8 -10.360 6.368 11.594 58 2HD LYS 8 HD3 LYS 8 -9.883 5.640 13.136 59 1HE LYS 8 HE2 LYS 8 -7.668 5.055 12.252 60 2HE LYS 8 HE3 LYS 8 -8.098 5.708 10.667 61 1HZ LYS 8 HZ3 LYS 8 -8.363 7.855 11.715 62 2HZ LYS 8 HZ1 LYS 8 -7.940 7.227 13.175 63 3HZ LYS 8 HZ2 LYS 8 -6.841 7.264 11.949 64 H GLU 9 H GLU 9 -13.239 4.381 8.922 65 HA GLU 9 HA GLU 9 -12.760 3.913 6.098 66 1HB GLU 9 HB2 GLU 9 -15.648 3.753 6.926 67 2HB GLU 9 HB3 GLU 9 -14.862 3.371 5.392 68 1HG GLU 9 HG2 GLU 9 -15.485 1.266 6.360 69 2HG GLU 9 HG3 GLU 9 -13.745 1.373 6.653 70 HE1 GLU 9 HE GLU 9 -16.252 1.888 9.777 71 H ALA 10 H ALA 10 -13.594 5.544 4.812 72 HA ALA 10 HA ALA 10 -14.666 8.008 6.126 73 1HB ALA 10 HB3 ALA 10 -12.167 8.149 5.579 74 2HB ALA 10 HB1 ALA 10 -12.606 7.904 3.870 75 3HB ALA 10 HB2 ALA 10 -13.211 9.321 4.794 76 H THR 11 H THR 11 -14.846 9.298 3.416 77 HA THR 11 HA THR 11 -16.384 7.347 1.831 78 HB THR 11 HB THR 11 -18.246 8.765 1.497 79 HG1 THR 11 HG1 THR 11 -16.754 10.688 2.979 80 1HG2 THR 11 HG23 THR 11 -18.355 7.537 3.645 81 2HG2 THR 11 HG21 THR 11 -17.677 8.951 4.485 82 3HG2 THR 11 HG22 THR 11 -19.244 9.068 3.670 83 H LEU 12 H LEU 12 -16.856 8.467 -0.378 84 HA LEU 12 HA LEU 12 -14.611 8.589 -1.797 85 1HB LEU 12 HB2 LEU 12 -16.830 8.447 -2.705 86 2HB LEU 12 HB3 LEU 12 -17.135 10.152 -2.431 87 HG LEU 12 HG LEU 12 -14.680 9.464 -4.034 88 1HD1 LEU 12 HD12 LEU 12 -17.501 9.134 -5.138 89 2HD1 LEU 12 HD13 LEU 12 -16.002 9.121 -6.094 90 3HD1 LEU 12 HD11 LEU 12 -16.305 7.840 -4.910 91 1HD2 LEU 12 HD22 LEU 12 -16.920 11.522 -4.366 92 2HD2 LEU 12 HD23 LEU 12 -15.298 11.842 -3.715 93 3HD2 LEU 12 HD21 LEU 12 -15.498 11.382 -5.409 94 HA PRO 13 HA PRO 13 -14.012 13.368 -1.821 95 1HB PRO 13 HB2 PRO 13 -14.855 14.736 0.487 96 2HB PRO 13 HB3 PRO 13 -15.691 14.698 -1.090 97 1HG PRO 13 HG2 PRO 13 -16.197 12.928 1.316 98 2HG PRO 13 HG3 PRO 13 -17.399 13.790 0.312 99 1HD PRO 13 HD2 PRO 13 -16.956 11.209 -0.103 100 2HD PRO 13 HD3 PRO 13 -17.024 12.289 -1.517 101 H GLN 14 H GLN 14 -13.871 11.450 1.227 102 HA GLN 14 HA GLN 14 -11.535 12.894 2.185 103 1HB GLN 14 HB2 GLN 14 -12.680 10.211 2.938 104 2HB GLN 14 HB3 GLN 14 -11.230 10.924 3.664 105 1HG GLN 14 HG2 GLN 14 -12.937 11.530 5.178 106 2HG GLN 14 HG3 GLN 14 -12.500 12.982 4.292 107 1HE2 GLN 14 HE21 GLN 14 -15.897 13.514 3.464 108 2HE2 GLN 14 HE22 GLN 14 -14.325 14.195 3.827 109 H VAL 15 H VAL 15 -12.089 10.306 -0.169 110 HA VAL 15 HA VAL 15 -9.394 9.272 -0.121 111 HB VAL 15 HB VAL 15 -11.213 9.468 -2.547 112 1HG1 VAL 15 HG13 VAL 15 -8.916 7.599 -1.834 113 2HG1 VAL 15 HG11 VAL 15 -9.946 7.470 -3.273 114 3HG1 VAL 15 HG12 VAL 15 -8.886 8.870 -3.071 115 1HG2 VAL 15 HG21 VAL 15 -11.048 7.292 -0.414 116 2HG2 VAL 15 HG22 VAL 15 -12.449 8.332 -0.717 117 3HG2 VAL 15 HG23 VAL 15 -11.929 7.196 -1.958 118 H LYS 16 H LYS 16 -10.985 11.964 -1.862 119 HA LYS 16 HA LYS 16 -8.644 12.859 -3.272 120 1HB LYS 16 HB2 LYS 16 -11.201 14.312 -2.461 121 2HB LYS 16 HB3 LYS 16 -9.873 15.051 -3.351 122 1HG LYS 16 HG2 LYS 16 -11.478 14.463 -4.915 123 2HG LYS 16 HG3 LYS 16 -10.077 13.418 -5.160 124 1HD LYS 16 HD2 LYS 16 -11.244 11.534 -4.091 125 2HD LYS 16 HD3 LYS 16 -12.626 12.568 -3.680 126 1HE LYS 16 HE2 LYS 16 -11.614 11.982 -6.499 127 2HE LYS 16 HE3 LYS 16 -12.950 11.120 -5.710 128 1HZ LYS 16 HZ1 LYS 16 -14.109 13.219 -5.551 129 2HZ LYS 16 HZ2 LYS 16 -12.891 13.985 -6.356 130 3HZ LYS 16 HZ3 LYS 16 -13.776 12.826 -7.115 131 H ALA 17 H ALA 17 -10.151 13.891 -0.162 132 HA ALA 17 HA ALA 17 -8.274 15.809 0.581 133 1HB ALA 17 HB3 ALA 17 -10.370 15.243 1.835 134 2HB ALA 17 HB1 ALA 17 -9.529 13.826 2.515 135 3HB ALA 17 HB2 ALA 17 -8.940 15.456 2.866 136 H MET 18 H MET 18 -8.042 12.264 1.192 137 HA MET 18 HA MET 18 -5.497 12.393 2.485 138 1HB MET 18 HB2 MET 18 -7.024 10.147 1.182 139 2HB MET 18 HB3 MET 18 -5.413 9.923 1.891 140 1HG MET 18 HG2 MET 18 -6.144 10.823 4.036 141 2HG MET 18 HG3 MET 18 -7.771 11.111 3.417 142 1HE MET 18 HE1 MET 18 -8.541 8.589 1.878 143 2HE MET 18 HE2 MET 18 -9.256 7.562 3.151 144 3HE MET 18 HE3 MET 18 -9.569 9.317 3.130 145 H LEU 19 H LEU 19 -6.369 11.677 -0.952 146 HA LEU 19 HA LEU 19 -3.735 11.381 -1.919 147 1HB LEU 19 HB2 LEU 19 -6.255 12.440 -3.216 148 2HB LEU 19 HB3 LEU 19 -4.750 12.277 -4.117 149 HG LEU 19 HG LEU 19 -5.961 9.918 -2.625 150 1HD1 LEU 19 HD12 LEU 19 -6.424 10.761 -5.520 151 2HD1 LEU 19 HD13 LEU 19 -6.943 9.228 -4.785 152 3HD1 LEU 19 HD11 LEU 19 -7.639 10.758 -4.224 153 1HD2 LEU 19 HD23 LEU 19 -4.039 10.107 -5.000 154 2HD2 LEU 19 HD21 LEU 19 -3.566 9.694 -3.341 155 3HD2 LEU 19 HD22 LEU 19 -4.628 8.612 -4.247 156 H GLU 20 H GLU 20 -5.556 14.424 -1.406 157 HA GLU 20 HA GLU 20 -3.624 16.160 -2.533 158 1HB GLU 20 HB2 GLU 20 -5.578 16.565 -0.247 159 2HB GLU 20 HB3 GLU 20 -4.619 17.868 -0.952 160 1HG GLU 20 HG2 GLU 20 -5.673 17.684 -3.079 161 2HG GLU 20 HG3 GLU 20 -6.392 16.116 -2.710 162 HE1 GLU 20 HE GLU 20 -8.040 19.340 -0.942 163 H LYS 21 H LYS 21 -3.363 14.283 0.438 164 HA LYS 21 HA LYS 21 -1.061 15.956 1.372 165 1HB LYS 21 HB2 LYS 21 -2.640 13.751 2.711 166 2HB LYS 21 HB3 LYS 21 -1.338 14.695 3.460 167 1HG LYS 21 HG2 LYS 21 -2.649 16.773 3.135 168 2HG LYS 21 HG3 LYS 21 -3.990 15.843 2.457 169 1HD LYS 21 HD2 LYS 21 -2.866 15.480 5.274 170 2HD LYS 21 HD3 LYS 21 -4.304 16.427 4.851 171 1HE LYS 21 HE2 LYS 21 -5.345 14.370 3.870 172 2HE LYS 21 HE3 LYS 21 -3.962 13.418 4.441 173 1HZ LYS 21 HZ2 LYS 21 -5.791 14.959 6.137 174 2HZ LYS 21 HZ3 LYS 21 -5.775 13.322 5.959 175 3HZ LYS 21 HZ1 LYS 21 -4.497 14.086 6.666 176 H ASP 22 H ASP 22 -1.369 13.660 -0.851 177 HA ASP 22 HA ASP 22 0.173 11.492 0.055 178 1HB ASP 22 HB2 ASP 22 0.263 10.768 -2.160 179 2HB ASP 22 HB3 ASP 22 -1.316 11.498 -1.967 180 HD1 ASP 22 HD ASP 22 -1.061 14.106 -2.844 181 H THR 23 H THR 23 1.270 14.289 -1.830 182 HA THR 23 HA THR 23 3.260 15.171 -2.291 183 HB THR 23 HB THR 23 5.086 15.169 -0.854 184 HG1 THR 23 HG1 THR 23 4.140 12.704 0.131 185 1HG2 THR 23 HG21 THR 23 3.022 16.132 0.191 186 2HG2 THR 23 HG22 THR 23 2.763 14.582 1.030 187 3HG2 THR 23 HG23 THR 23 4.215 15.531 1.363 188 H GLY 24 H GLY 24 5.754 13.184 -1.822 189 1HA GLY 24 HA2 GLY 24 6.857 11.598 -3.139 190 2HA GLY 24 HA3 GLY 24 5.322 11.204 -3.899 191 H LYS 25 H LYS 25 8.304 12.797 -4.279 192 HA LYS 25 HA LYS 25 7.570 14.448 -6.605 193 1HB LYS 25 HB2 LYS 25 10.196 13.587 -5.330 194 2HB LYS 25 HB3 LYS 25 10.085 14.682 -6.713 195 1HG LYS 25 HG2 LYS 25 9.267 16.448 -5.446 196 2HG LYS 25 HG3 LYS 25 8.456 15.401 -4.282 197 1HD LYS 25 HD2 LYS 25 10.315 16.529 -3.209 198 2HD LYS 25 HD3 LYS 25 10.563 14.777 -3.233 199 1HE LYS 25 HE2 LYS 25 12.144 14.987 -5.108 200 2HE LYS 25 HE3 LYS 25 11.842 16.734 -5.202 201 1HZ LYS 25 HZ3 LYS 25 12.917 15.357 -2.837 202 2HZ LYS 25 HZ1 LYS 25 13.838 16.134 -3.971 203 3HZ LYS 25 HZ2 LYS 25 12.765 16.978 -3.049 204 H VAL 26 H VAL 26 7.254 13.448 -8.570 205 HA VAL 26 HA VAL 26 7.613 10.642 -8.911 206 HB VAL 26 HB VAL 26 7.194 12.841 -10.980 207 1HG1 VAL 26 HG13 VAL 26 6.885 9.812 -11.173 208 2HG1 VAL 26 HG11 VAL 26 6.219 10.960 -12.352 209 3HG1 VAL 26 HG12 VAL 26 7.965 10.845 -12.137 210 1HG2 VAL 26 HG23 VAL 26 5.237 11.019 -9.509 211 2HG2 VAL 26 HG21 VAL 26 5.376 12.775 -9.300 212 3HG2 VAL 26 HG22 VAL 26 4.809 12.119 -10.838 213 H SER 27 H SER 27 9.176 9.449 -10.101 214 HA SER 27 HA SER 27 11.537 10.854 -11.218 215 1HB SER 27 HB2 SER 27 11.726 8.743 -9.030 216 2HB SER 27 HB3 SER 27 13.074 9.542 -9.861 217 HG SER 27 HG SER 27 11.570 11.489 -8.957 218 H GLY 28 H GLY 28 9.929 9.949 -12.949 219 1HA GLY 28 HA2 GLY 28 9.699 8.447 -14.703 220 2HA GLY 28 HA3 GLY 28 11.081 7.521 -14.078 221 H ASP 29 H ASP 29 10.134 5.424 -14.007 222 HA ASP 29 HA ASP 29 7.495 5.020 -12.753 223 1HB ASP 29 HB2 ASP 29 8.152 3.594 -14.645 224 2HB ASP 29 HB3 ASP 29 9.565 3.013 -13.737 225 HD1 ASP 29 HD ASP 29 6.131 1.896 -12.016 226 H THR 30 H THR 30 8.798 6.391 -10.934 227 HA THR 30 HA THR 30 9.048 4.661 -8.681 228 HB THR 30 HB THR 30 11.533 6.009 -9.851 229 HG1 THR 30 HG1 THR 30 11.026 3.779 -10.295 230 1HG2 THR 30 HG21 THR 30 11.206 5.065 -7.006 231 2HG2 THR 30 HG22 THR 30 12.730 5.510 -7.802 232 3HG2 THR 30 HG23 THR 30 11.479 6.739 -7.548 233 H VAL 31 H VAL 31 8.787 5.955 -6.772 234 HA VAL 31 HA VAL 31 8.215 8.857 -7.210 235 HB VAL 31 HB VAL 31 6.691 6.814 -5.541 236 1HG1 VAL 31 HG13 VAL 31 6.393 9.842 -5.634 237 2HG1 VAL 31 HG11 VAL 31 5.254 8.721 -4.852 238 3HG1 VAL 31 HG12 VAL 31 6.897 8.880 -4.223 239 1HG2 VAL 31 HG22 VAL 31 6.025 6.902 -7.936 240 2HG2 VAL 31 HG23 VAL 31 4.744 7.570 -6.916 241 3HG2 VAL 31 HG21 VAL 31 5.802 8.656 -7.823 242 H THR 32 H THR 32 9.189 10.192 -5.725 243 HA THR 32 HA THR 32 11.053 8.923 -3.779 244 HB THR 32 HB THR 32 11.364 11.373 -5.561 245 HG1 THR 32 HG1 THR 32 12.168 10.007 -6.895 246 1HG2 THR 32 HG22 THR 32 13.342 10.130 -3.599 247 2HG2 THR 32 HG23 THR 32 13.717 11.382 -4.798 248 3HG2 THR 32 HG21 THR 32 12.597 11.735 -3.475 249 H TYR 33 H TYR 33 10.606 9.416 -1.711 250 HA TYR 33 HA TYR 33 8.834 11.711 -1.115 251 1HB TYR 33 HB2 TYR 33 9.847 9.305 0.372 252 2HB TYR 33 HB3 TYR 33 9.445 10.739 1.299 253 HD1 TYR 33 HD2 TYR 33 8.043 8.266 -1.113 254 HD2 TYR 33 HD1 TYR 33 7.195 11.540 1.568 255 HE1 TYR 33 HE2 TYR 33 5.607 7.875 -1.386 256 HE2 TYR 33 HE1 TYR 33 4.777 11.048 1.405 257 HH TYR 33 HH TYR 33 3.142 9.879 0.271 258 H SER 34 H SER 34 9.415 13.046 0.816 259 HA SER 34 HA SER 34 12.169 13.578 1.427 260 1HB SER 34 HB2 SER 34 10.504 15.638 -0.109 261 2HB SER 34 HB3 SER 34 12.016 15.999 0.742 262 HG SER 34 HG SER 34 12.264 13.863 -0.956 263 H GLY 35 H GLY 35 12.168 14.880 3.400 264 1HA GLY 35 HA2 GLY 35 11.223 15.790 5.313 265 2HA GLY 35 HA3 GLY 35 9.605 15.705 4.596 266 H LYS 36 H LYS 36 9.879 14.945 7.207 267 HA LYS 36 HA LYS 36 10.495 12.106 7.436 268 1HB LYS 36 HB2 LYS 36 9.363 14.019 9.488 269 2HB LYS 36 HB3 LYS 36 9.970 12.385 9.787 270 1HG LYS 36 HG2 LYS 36 12.201 13.094 8.841 271 2HG LYS 36 HG3 LYS 36 11.625 14.761 8.810 272 1HD LYS 36 HD2 LYS 36 11.896 12.944 11.255 273 2HD LYS 36 HD3 LYS 36 12.962 14.283 10.833 274 1HE LYS 36 HE2 LYS 36 10.023 14.506 11.650 275 2HE LYS 36 HE3 LYS 36 11.431 14.938 12.622 276 1HZ LYS 36 HZ2 LYS 36 11.973 16.607 10.996 277 2HZ LYS 36 HZ3 LYS 36 10.639 16.222 10.107 278 3HZ LYS 36 HZ1 LYS 36 10.468 16.849 11.619 279 H THR 37 H THR 37 7.508 14.038 7.043 280 HA THR 37 HA THR 37 5.788 11.846 7.929 281 HB THR 37 HB THR 37 4.043 13.526 7.027 282 HG1 THR 37 HG1 THR 37 5.474 14.702 5.714 283 1HG2 THR 37 HG21 THR 37 4.693 13.160 9.374 284 2HG2 THR 37 HG22 THR 37 6.042 14.296 9.199 285 3HG2 THR 37 HG23 THR 37 4.364 14.889 9.072 286 H VAL 38 H VAL 38 6.641 10.274 6.612 287 HA VAL 38 HA VAL 38 6.281 10.482 3.670 288 HB VAL 38 HB VAL 38 7.469 8.330 5.426 289 1HG1 VAL 38 HG11 VAL 38 6.940 8.357 2.418 290 2HG1 VAL 38 HG12 VAL 38 8.202 7.362 3.159 291 3HG1 VAL 38 HG13 VAL 38 6.507 7.096 3.575 292 1HG2 VAL 38 HG21 VAL 38 8.762 10.437 5.031 293 2HG2 VAL 38 HG22 VAL 38 9.519 8.997 4.327 294 3HG2 VAL 38 HG23 VAL 38 8.643 10.143 3.298 295 H HIS 39 H HIS 39 4.117 11.066 3.963 296 HA HIS 39 HA HIS 39 2.154 9.134 4.868 297 1HB HIS 39 HB2 HIS 39 1.900 11.581 5.103 298 2HB HIS 39 HB3 HIS 39 1.862 11.753 3.343 299 HD1 HIS 39 HD1 HIS 39 -0.574 12.258 2.744 300 HD2 HIS 39 HD2 HIS 39 -0.097 9.241 5.646 301 HE1 HIS 39 HE1 HIS 39 -2.927 11.281 3.191 302 HE2 HIS 39 HE2 HIS 39 -2.579 9.400 4.937 303 H VAL 40 H VAL 40 2.242 7.253 3.619 304 HA VAL 40 HA VAL 40 2.323 7.463 0.653 305 HB VAL 40 HB VAL 40 2.483 5.022 2.433 306 1HG1 VAL 40 HG13 VAL 40 2.910 5.383 -0.566 307 2HG1 VAL 40 HG11 VAL 40 3.245 3.903 0.362 308 3HG1 VAL 40 HG12 VAL 40 1.585 4.479 0.196 309 1HG2 VAL 40 HG22 VAL 40 4.641 6.567 0.945 310 2HG2 VAL 40 HG23 VAL 40 4.439 6.473 2.708 311 3HG2 VAL 40 HG21 VAL 40 4.862 5.022 1.792 312 H VAL 41 H VAL 41 0.385 8.079 -0.112 313 HA VAL 41 HA VAL 41 -2.101 6.936 0.940 314 HB VAL 41 HB VAL 41 -1.633 8.889 -1.324 315 1HG1 VAL 41 HG11 VAL 41 -4.146 7.989 0.177 316 2HG1 VAL 41 HG12 VAL 41 -4.071 9.405 -0.877 317 3HG1 VAL 41 HG13 VAL 41 -3.827 7.783 -1.558 318 1HG2 VAL 41 HG22 VAL 41 -0.917 9.700 0.969 319 2HG2 VAL 41 HG23 VAL 41 -2.303 10.563 0.311 320 3HG2 VAL 41 HG21 VAL 41 -2.547 9.316 1.550 321 H ALA 42 H ALA 42 -1.969 4.799 0.568 322 HA ALA 42 HA ALA 42 -1.482 3.735 -2.171 323 1HB ALA 42 HB1 ALA 42 -1.557 2.380 0.555 324 2HB ALA 42 HB2 ALA 42 -1.250 1.561 -0.992 325 3HB ALA 42 HB3 ALA 42 -0.105 2.771 -0.388 326 H ALA 43 H ALA 43 -2.966 2.004 -2.938 327 HA ALA 43 HA ALA 43 -5.531 1.670 -1.608 328 1HB ALA 43 HB1 ALA 43 -5.235 3.053 -4.326 329 2HB ALA 43 HB2 ALA 43 -6.768 2.466 -3.658 330 3HB ALA 43 HB3 ALA 43 -5.902 3.784 -2.850 331 H ALA 44 H ALA 44 -6.926 0.198 -3.036 332 HA ALA 44 HA ALA 44 -5.323 -1.563 -4.810 333 1HB ALA 44 HB1 ALA 44 -5.154 -2.607 -2.561 334 2HB ALA 44 HB2 ALA 44 -6.926 -2.567 -2.429 335 3HB ALA 44 HB3 ALA 44 -6.162 -3.570 -3.663 336 H VAL 45 H VAL 45 -6.450 -2.114 -6.519 337 HA VAL 45 HA VAL 45 -8.131 -1.786 -8.076 338 HB VAL 45 HB VAL 45 -9.183 -3.970 -6.264 339 1HG1 VAL 45 HG13 VAL 45 -10.583 -3.405 -8.320 340 2HG1 VAL 45 HG11 VAL 45 -9.143 -3.691 -9.301 341 3HG1 VAL 45 HG12 VAL 45 -9.871 -5.021 -8.380 342 1HG2 VAL 45 HG23 VAL 45 -6.888 -4.083 -8.234 343 2HG2 VAL 45 HG21 VAL 45 -6.803 -4.342 -6.474 344 3HG2 VAL 45 HG22 VAL 45 -7.679 -5.489 -7.479 345 H LEU 46 H LEU 46 -8.849 0.387 -7.407 346 HA LEU 46 HA LEU 46 -11.178 0.613 -5.678 347 1HB LEU 46 HB2 LEU 46 -9.794 2.541 -7.591 348 2HB LEU 46 HB3 LEU 46 -11.116 3.023 -6.535 349 HG LEU 46 HG LEU 46 -8.443 1.899 -5.565 350 1HD1 LEU 46 HD12 LEU 46 -9.452 4.772 -5.722 351 2HD1 LEU 46 HD13 LEU 46 -7.931 4.245 -4.972 352 3HD1 LEU 46 HD11 LEU 46 -8.164 4.059 -6.718 353 1HD2 LEU 46 HD23 LEU 46 -10.803 3.189 -4.117 354 2HD2 LEU 46 HD21 LEU 46 -10.173 1.540 -3.882 355 3HD2 LEU 46 HD22 LEU 46 -9.207 2.939 -3.398 356 HA PRO 47 HA PRO 47 -14.299 -0.439 -8.523 357 1HB PRO 47 HB2 PRO 47 -16.300 1.453 -8.105 358 2HB PRO 47 HB3 PRO 47 -15.943 0.060 -7.046 359 1HG PRO 47 HG2 PRO 47 -14.961 2.904 -6.745 360 2HG PRO 47 HG3 PRO 47 -15.692 1.860 -5.488 361 1HD PRO 47 HD2 PRO 47 -13.032 2.122 -5.641 362 2HD PRO 47 HD3 PRO 47 -13.716 0.491 -5.390 363 H GLY 48 H GLY 48 -13.747 -0.242 -10.598 364 1HA GLY 48 HA2 GLY 48 -14.389 1.200 -12.633 365 2HA GLY 48 HA3 GLY 48 -13.368 2.432 -11.866 366 H PHE 49 H PHE 49 -11.441 0.618 -10.704 367 HA PHE 49 HA PHE 49 -9.770 0.176 -13.092 368 1HB PHE 49 HB2 PHE 49 -9.185 0.029 -10.129 369 2HB PHE 49 HB3 PHE 49 -8.015 -0.261 -11.405 370 HD1 PHE 49 HD2 PHE 49 -10.131 2.327 -9.790 371 HD2 PHE 49 HD1 PHE 49 -7.188 1.589 -12.841 372 HE1 PHE 49 HE2 PHE 49 -9.564 4.739 -9.816 373 HE2 PHE 49 HE1 PHE 49 -6.699 4.022 -12.942 374 HZ PHE 49 HZ PHE 49 -7.837 5.590 -11.390 375 HA PRO 50 HA PRO 50 -10.874 -4.236 -12.820 376 1HB PRO 50 HB2 PRO 50 -8.411 -4.421 -14.566 377 2HB PRO 50 HB3 PRO 50 -9.974 -5.263 -14.766 378 1HG PRO 50 HG2 PRO 50 -9.399 -3.103 -16.302 379 2HG PRO 50 HG3 PRO 50 -11.018 -3.242 -15.552 380 1HD PRO 50 HD2 PRO 50 -8.656 -1.613 -14.574 381 2HD PRO 50 HD3 PRO 50 -10.378 -1.149 -14.742 382 H PHE 51 H PHE 51 -9.754 -6.207 -12.064 383 HA PHE 51 HA PHE 51 -7.916 -5.784 -9.901 384 1HB PHE 51 HB2 PHE 51 -9.076 -8.169 -11.378 385 2HB PHE 51 HB3 PHE 51 -7.670 -8.442 -10.395 386 HD1 PHE 51 HD2 PHE 51 -11.141 -7.018 -10.179 387 HD2 PHE 51 HD1 PHE 51 -7.845 -8.885 -8.098 388 HE1 PHE 51 HE2 PHE 51 -12.578 -7.370 -8.187 389 HE2 PHE 51 HE1 PHE 51 -9.304 -9.231 -6.122 390 HZ PHE 51 HZ PHE 51 -11.636 -8.459 -6.154 391 HA PRO 52 HA PRO 52 -6.431 -7.016 -8.864 392 1HB PRO 52 HB2 PRO 52 -4.271 -8.414 -8.281 393 2HB PRO 52 HB3 PRO 52 -5.427 -9.096 -9.463 394 1HG PRO 52 HG2 PRO 52 -2.868 -7.574 -10.048 395 2HG PRO 52 HG3 PRO 52 -3.379 -9.149 -10.729 396 1HD PRO 52 HD2 PRO 52 -3.788 -6.660 -11.952 397 2HD PRO 52 HD3 PRO 52 -4.802 -8.096 -12.234 398 H SER 53 H SER 53 -4.028 -5.078 -10.437 399 HA SER 53 HA SER 53 -1.994 -4.699 -8.752 400 1HB SER 53 HB2 SER 53 -2.018 -2.315 -9.880 401 2HB SER 53 HB3 SER 53 -1.854 -3.780 -10.866 402 HG SER 53 HG SER 53 -4.384 -2.647 -10.288 403 H PHE 54 H PHE 54 -1.271 -3.483 -7.119 404 HA PHE 54 HA PHE 54 -3.052 -2.009 -5.336 405 1HB PHE 54 HB2 PHE 54 -0.006 -2.277 -5.611 406 2HB PHE 54 HB3 PHE 54 -0.752 -1.160 -4.486 407 HD1 PHE 54 HD1 PHE 54 -2.768 -2.370 -3.025 408 HD2 PHE 54 HD2 PHE 54 1.028 -3.942 -4.324 409 HE1 PHE 54 HE1 PHE 54 -2.710 -3.896 -1.055 410 HE2 PHE 54 HE2 PHE 54 1.135 -5.350 -2.303 411 HZ PHE 54 HZ PHE 54 -0.734 -5.309 -0.651 412 H GLU 55 H GLU 55 -3.400 0.195 -5.528 413 HA GLU 55 HA GLU 55 -2.028 1.597 -7.777 414 1HB GLU 55 HB2 GLU 55 -4.575 2.682 -6.730 415 2HB GLU 55 HB3 GLU 55 -3.786 2.680 -8.332 416 1HG GLU 55 HG2 GLU 55 -4.445 0.333 -8.694 417 2HG GLU 55 HG3 GLU 55 -5.233 0.287 -7.108 418 HE1 GLU 55 HE GLU 55 -6.950 2.744 -9.811 419 H VAL 56 H VAL 56 -0.810 3.451 -7.139 420 HA VAL 56 HA VAL 56 -1.145 4.318 -4.296 421 HB VAL 56 HB VAL 56 1.475 3.422 -5.471 422 1HG1 VAL 56 HG12 VAL 56 0.819 4.493 -2.703 423 2HG1 VAL 56 HG13 VAL 56 2.385 3.808 -3.184 424 3HG1 VAL 56 HG11 VAL 56 1.808 5.289 -3.950 425 1HG2 VAL 56 HG22 VAL 56 -0.183 2.089 -3.297 426 2HG2 VAL 56 HG23 VAL 56 0.219 1.416 -4.892 427 3HG2 VAL 56 HG21 VAL 56 1.491 1.663 -3.694 428 H HIS 57 H HIS 57 -1.162 6.412 -4.209 429 HA HIS 57 HA HIS 57 -1.721 8.172 -5.910 430 1HB HIS 57 HB2 HIS 57 -0.679 9.913 -4.703 431 2HB HIS 57 HB3 HIS 57 -1.214 8.657 -3.593 432 HD1 HIS 57 HD1 HIS 57 1.780 10.669 -4.439 433 HD2 HIS 57 HD2 HIS 57 0.807 7.068 -2.471 434 HE1 HIS 57 HE1 HIS 57 3.749 10.094 -2.901 435 HE2 HIS 57 HE2 HIS 57 3.145 7.969 -1.697 436 H ASP 58 H ASP 58 -1.307 8.548 -7.937 437 HA ASP 58 HA ASP 58 -0.314 9.514 -9.709 438 1HB ASP 58 HB2 ASP 58 1.413 10.632 -8.331 439 2HB ASP 58 HB3 ASP 58 2.441 9.194 -8.502 440 HD1 ASP 58 HD ASP 58 1.756 11.419 -11.774 441 H LYS 59 H LYS 59 0.720 6.430 -8.399 442 HA LYS 59 HA LYS 59 1.174 5.372 -11.162 443 1HB LYS 59 HB2 LYS 59 2.771 4.906 -8.635 444 2HB LYS 59 HB3 LYS 59 3.133 4.151 -10.195 445 1HG LYS 59 HG2 LYS 59 3.413 7.120 -9.570 446 2HG LYS 59 HG3 LYS 59 4.689 5.909 -9.608 447 1HD LYS 59 HD2 LYS 59 4.064 5.427 -12.035 448 2HD LYS 59 HD3 LYS 59 3.050 6.889 -11.968 449 1HE LYS 59 HE2 LYS 59 5.071 8.195 -11.231 450 2HE LYS 59 HE3 LYS 59 6.045 6.724 -11.366 451 1HZ LYS 59 HZ2 LYS 59 5.455 6.658 -13.700 452 2HZ LYS 59 HZ3 LYS 59 4.661 8.098 -13.553 453 3HZ LYS 59 HZ1 LYS 59 6.290 8.013 -13.280 454 H LYS 60 H LYS 60 1.742 2.822 -10.557 455 HA LYS 60 HA LYS 60 -0.125 1.746 -8.590 456 1HB LYS 60 HB2 LYS 60 0.072 0.828 -11.475 457 2HB LYS 60 HB3 LYS 60 -0.849 -0.003 -10.210 458 1HG LYS 60 HG2 LYS 60 -2.326 2.022 -10.042 459 2HG LYS 60 HG3 LYS 60 -1.409 2.764 -11.365 460 1HD LYS 60 HD2 LYS 60 -2.035 0.918 -12.879 461 2HD LYS 60 HD3 LYS 60 -2.868 0.083 -11.561 462 1HE LYS 60 HE2 LYS 60 -4.475 1.237 -13.006 463 2HE LYS 60 HE3 LYS 60 -4.501 1.916 -11.371 464 1HZ LYS 60 HZ2 LYS 60 -3.076 3.078 -13.663 465 2HZ LYS 60 HZ3 LYS 60 -4.523 3.597 -13.069 466 3HZ LYS 60 HZ1 LYS 60 -3.168 3.720 -12.146 467 H ASN 61 H ASN 61 0.801 0.054 -7.561 468 HA ASN 61 HA ASN 61 2.603 -1.071 -6.663 469 1HB ASN 61 HB2 ASN 61 2.927 -1.760 -9.610 470 2HB ASN 61 HB3 ASN 61 3.747 -2.596 -8.321 471 1HD2 ASN 61 HD22 ASN 61 -0.246 -3.361 -8.661 472 2HD2 ASN 61 HD21 ASN 61 0.114 -1.644 -8.503 473 HA PRO 62 HA PRO 62 5.736 1.917 -8.681 474 1HB PRO 62 HB2 PRO 62 5.892 4.098 -7.024 475 2HB PRO 62 HB3 PRO 62 4.691 3.920 -8.323 476 1HG PRO 62 HG2 PRO 62 4.356 3.210 -5.379 477 2HG PRO 62 HG3 PRO 62 3.314 4.286 -6.355 478 1HD PRO 62 HD2 PRO 62 2.688 1.637 -5.994 479 2HD PRO 62 HD3 PRO 62 2.471 2.454 -7.570 480 H THR 63 H THR 63 7.822 2.311 -8.137 481 HA THR 63 HA THR 63 9.099 0.990 -5.961 482 HB THR 63 HB THR 63 10.317 3.087 -7.735 483 HG1 THR 63 HG1 THR 63 9.767 2.154 -9.566 484 1HG2 THR 63 HG22 THR 63 11.712 1.562 -6.344 485 2HG2 THR 63 HG23 THR 63 11.098 0.208 -7.352 486 3HG2 THR 63 HG21 THR 63 12.053 1.552 -8.092 487 H LEU 64 H LEU 64 9.291 2.047 -3.882 488 HA LEU 64 HA LEU 64 8.893 5.026 -3.778 489 1HB LEU 64 HB2 LEU 64 8.415 2.772 -1.842 490 2HB LEU 64 HB3 LEU 64 8.798 4.387 -1.243 491 HG LEU 64 HG LEU 64 6.946 5.370 -2.543 492 1HD1 LEU 64 HD11 LEU 64 6.255 2.451 -3.112 493 2HD1 LEU 64 HD12 LEU 64 5.140 3.819 -3.317 494 3HD1 LEU 64 HD13 LEU 64 6.602 3.722 -4.310 495 1HD2 LEU 64 HD23 LEU 64 6.717 4.787 -0.162 496 2HD2 LEU 64 HD21 LEU 64 5.192 4.559 -1.030 497 3HD2 LEU 64 HD22 LEU 64 6.185 3.148 -0.602 498 H GLU 65 H GLU 65 10.698 6.265 -3.658 499 HA GLU 65 HA GLU 65 13.142 5.168 -2.329 500 1HB GLU 65 HB2 GLU 65 12.932 7.882 -3.631 501 2HB GLU 65 HB3 GLU 65 14.368 6.941 -3.245 502 1HG GLU 65 HG2 GLU 65 12.273 6.305 -5.354 503 2HG GLU 65 HG3 GLU 65 13.895 6.921 -5.664 504 HE1 GLU 65 HE GLU 65 15.419 3.823 -4.864 505 H ILE 66 H ILE 66 13.297 5.533 -0.194 506 HA ILE 66 HA ILE 66 11.656 7.682 1.042 507 HB ILE 66 HB ILE 66 12.354 4.843 1.757 508 1HG1 ILE 66 HG12 ILE 66 9.787 6.351 1.117 509 2HG1 ILE 66 HG13 ILE 66 10.525 4.981 0.274 510 1HG2 ILE 66 HG21 ILE 66 12.539 6.182 3.877 511 2HG2 ILE 66 HG22 ILE 66 10.923 6.862 3.573 512 3HG2 ILE 66 HG23 ILE 66 11.141 5.140 3.903 513 1HD1 ILE 66 HD13 ILE 66 10.071 3.613 2.401 514 2HD1 ILE 66 HD11 ILE 66 9.060 4.976 2.924 515 3HD1 ILE 66 HD12 ILE 66 8.657 4.108 1.443 516 HA PRO 67 HA PRO 67 15.479 8.968 3.089 517 1HB PRO 67 HB2 PRO 67 14.447 10.829 4.803 518 2HB PRO 67 HB3 PRO 67 14.681 11.105 3.054 519 1HG PRO 67 HG2 PRO 67 12.128 10.393 4.486 520 2HG PRO 67 HG3 PRO 67 12.364 11.576 3.182 521 1HD PRO 67 HD2 PRO 67 11.417 9.011 2.840 522 2HD PRO 67 HD3 PRO 67 12.308 9.894 1.559 523 H ALA 68 H ALA 68 16.314 7.509 4.462 524 HA ALA 68 HA ALA 68 15.032 5.708 6.104 525 1HB ALA 68 HB2 ALA 68 17.453 5.638 5.393 526 2HB ALA 68 HB3 ALA 68 17.796 6.912 6.577 527 3HB ALA 68 HB1 ALA 68 17.229 5.321 7.127 528 H GLY 69 H GLY 69 14.385 5.514 8.220 529 1HA GLY 69 HA2 GLY 69 13.946 6.138 10.375 530 2HA GLY 69 HA3 GLY 69 14.974 7.562 10.195 531 H ALA 70 H ALA 70 12.938 8.016 7.611 532 HA ALA 70 HA ALA 70 11.266 9.921 8.935 533 1HB ALA 70 HB3 ALA 70 11.014 8.493 6.257 534 2HB ALA 70 HB1 ALA 70 10.069 9.902 6.758 535 3HB ALA 70 HB2 ALA 70 11.828 10.048 6.596 536 H THR 71 H THR 71 8.870 9.808 9.008 537 HA THR 71 HA THR 71 7.975 7.221 10.153 538 HB THR 71 HB THR 71 6.588 9.928 10.095 539 HG1 THR 71 HG1 THR 71 8.570 9.761 11.340 540 1HG2 THR 71 HG23 THR 71 6.060 7.310 11.585 541 2HG2 THR 71 HG21 THR 71 5.224 8.845 11.912 542 3HG2 THR 71 HG22 THR 71 5.027 8.040 10.342 543 H VAL 72 H VAL 72 7.545 5.872 8.519 544 HA VAL 72 HA VAL 72 6.174 6.713 6.060 545 HB VAL 72 HB VAL 72 7.049 3.963 7.056 546 1HG1 VAL 72 HG13 VAL 72 6.003 4.963 4.352 547 2HG1 VAL 72 HG11 VAL 72 6.675 3.347 4.653 548 3HG1 VAL 72 HG12 VAL 72 5.172 3.840 5.440 549 1HG2 VAL 72 HG21 VAL 72 8.257 5.911 5.035 550 2HG2 VAL 72 HG22 VAL 72 8.967 5.467 6.591 551 3HG2 VAL 72 HG23 VAL 72 8.784 4.245 5.312 552 H ASP 73 H ASP 73 4.149 7.348 6.475 553 HA ASP 73 HA ASP 73 2.353 5.681 8.215 554 1HB ASP 73 HB2 ASP 73 2.164 8.542 7.210 555 2HB ASP 73 HB3 ASP 73 0.775 7.648 7.847 556 HD2 ASP 73 HD ASP 73 2.882 9.502 10.431 557 H VAL 74 H VAL 74 1.809 3.994 6.912 558 HA VAL 74 HA VAL 74 1.206 4.454 4.060 559 HB VAL 74 HB VAL 74 1.022 1.938 5.704 560 1HG1 VAL 74 HG11 VAL 74 0.955 2.455 2.688 561 2HG1 VAL 74 HG12 VAL 74 1.043 0.845 3.421 562 3HG1 VAL 74 HG13 VAL 74 -0.392 1.849 3.678 563 1HG2 VAL 74 HG21 VAL 74 3.263 2.961 3.933 564 2HG2 VAL 74 HG22 VAL 74 3.320 2.583 5.676 565 3HG2 VAL 74 HG23 VAL 74 3.121 1.284 4.502 566 H THR 75 H THR 75 -0.625 5.402 3.673 567 HA THR 75 HA THR 75 -3.080 4.909 5.287 568 HB THR 75 HB THR 75 -2.374 7.098 3.290 569 HG1 THR 75 HG1 THR 75 -1.282 7.174 5.284 570 1HG2 THR 75 HG22 THR 75 -4.811 6.731 5.098 571 2HG2 THR 75 HG23 THR 75 -4.424 8.193 4.166 572 3HG2 THR 75 HG21 THR 75 -4.809 6.685 3.325 573 H PHE 76 H PHE 76 -3.768 2.953 4.380 574 HA PHE 76 HA PHE 76 -3.883 2.568 1.452 575 1HB PHE 76 HB2 PHE 76 -5.021 1.156 3.881 576 2HB PHE 76 HB3 PHE 76 -5.655 0.775 2.316 577 HD1 PHE 76 HD1 PHE 76 -3.489 0.631 0.441 578 HD2 PHE 76 HD2 PHE 76 -3.956 -0.992 4.410 579 HE1 PHE 76 HE1 PHE 76 -3.567 -1.622 -0.496 580 HE2 PHE 76 HE2 PHE 76 -4.067 -3.265 3.451 581 HZ PHE 76 HZ PHE 76 -3.979 -3.575 0.990 582 H ILE 77 H ILE 77 -5.702 2.921 0.220 583 HA ILE 77 HA ILE 77 -8.353 3.143 1.569 584 HB ILE 77 HB ILE 77 -7.491 4.662 -0.931 585 1HG1 ILE 77 HG12 ILE 77 -8.844 6.400 0.750 586 2HG1 ILE 77 HG13 ILE 77 -8.068 5.380 1.943 587 1HG2 ILE 77 HG22 ILE 77 -9.788 3.648 -1.176 588 2HG2 ILE 77 HG23 ILE 77 -10.230 4.372 0.378 589 3HG2 ILE 77 HG21 ILE 77 -9.835 5.392 -1.026 590 1HD1 ILE 77 HD13 ILE 77 -5.843 5.791 0.802 591 2HD1 ILE 77 HD11 ILE 77 -6.678 6.897 -0.317 592 3HD1 ILE 77 HD12 ILE 77 -6.596 7.273 1.414 593 H ASN 78 H ASN 78 -8.361 0.854 1.503 594 HA ASN 78 HA ASN 78 -8.500 -0.323 -1.260 595 1HB ASN 78 HB2 ASN 78 -6.927 -1.675 -0.275 596 2HB ASN 78 HB3 ASN 78 -7.674 -1.774 1.294 597 1HD2 ASN 78 HD21 ASN 78 -9.338 -4.752 0.129 598 2HD2 ASN 78 HD22 ASN 78 -8.306 -4.041 1.377 599 H THR 79 H THR 79 -10.510 0.072 -1.840 600 HA THR 79 HA THR 79 -12.725 -0.839 -0.048 601 HB THR 79 HB THR 79 -12.849 1.569 -1.914 602 HG1 THR 79 HG1 THR 79 -11.572 1.672 0.122 603 1HG2 THR 79 HG22 THR 79 -14.832 0.573 0.176 604 2HG2 THR 79 HG23 THR 79 -14.972 2.038 -0.815 605 3HG2 THR 79 HG21 THR 79 -15.090 0.461 -1.568 606 H ASN 80 H ASN 80 -11.091 -2.409 -1.810 607 HA ASN 80 HA ASN 80 -12.633 -2.778 -4.253 608 1HB ASN 80 HB2 ASN 80 -10.188 -3.263 -4.133 609 2HB ASN 80 HB3 ASN 80 -10.532 -4.566 -2.986 610 1HD2 ASN 80 HD21 ASN 80 -12.041 -5.007 -6.829 611 2HD2 ASN 80 HD22 ASN 80 -11.800 -3.392 -6.162 612 H LYS 81 H LYS 81 -14.584 -2.820 -3.038 613 HA LYS 81 HA LYS 81 -16.067 -3.862 -1.441 614 1HB LYS 81 HB2 LYS 81 -16.524 -5.079 -4.192 615 2HB LYS 81 HB3 LYS 81 -17.731 -4.707 -2.955 616 1HG LYS 81 HG2 LYS 81 -16.914 -2.240 -3.196 617 2HG LYS 81 HG3 LYS 81 -16.098 -2.799 -4.667 618 1HD LYS 81 HD2 LYS 81 -18.299 -3.743 -5.472 619 2HD LYS 81 HD3 LYS 81 -19.094 -2.983 -4.086 620 1HE LYS 81 HE2 LYS 81 -17.542 -1.538 -6.283 621 2HE LYS 81 HE3 LYS 81 -19.304 -1.618 -6.134 622 1HZ LYS 81 HZ2 LYS 81 -17.504 -0.381 -4.173 623 2HZ LYS 81 HZ3 LYS 81 -18.449 0.417 -5.263 624 3HZ LYS 81 HZ1 LYS 81 -19.151 -0.470 -4.064 625 H GLY 82 H GLY 82 -15.391 -5.335 0.144 626 1HA GLY 82 HA2 GLY 82 -15.604 -7.433 1.089 627 2HA GLY 82 HA3 GLY 82 -15.865 -8.159 -0.494 628 H PHE 83 H PHE 83 -13.272 -7.035 -1.624 629 HA PHE 83 HA PHE 83 -11.562 -9.215 -0.621 630 1HB PHE 83 HB2 PHE 83 -11.165 -7.178 -2.801 631 2HB PHE 83 HB3 PHE 83 -10.048 -8.470 -2.424 632 HD1 PHE 83 HD1 PHE 83 -13.414 -7.697 -3.801 633 HD2 PHE 83 HD2 PHE 83 -10.502 -10.791 -3.054 634 HE1 PHE 83 HE1 PHE 83 -14.712 -9.261 -5.210 635 HE2 PHE 83 HE2 PHE 83 -11.761 -12.325 -4.541 636 HZ PHE 83 HZ PHE 83 -13.868 -11.568 -5.618 637 H GLY 84 H GLY 84 -11.194 -8.433 1.519 638 1HA GLY 84 HA2 GLY 84 -9.874 -5.980 2.180 639 2HA GLY 84 HA3 GLY 84 -9.907 -7.457 3.130 640 H HIS 85 H HIS 85 -8.331 -6.367 0.049 641 HA HIS 85 HA HIS 85 -6.050 -7.993 0.136 642 1HB HIS 85 HB2 HIS 85 -6.199 -5.103 -0.764 643 2HB HIS 85 HB3 HIS 85 -4.951 -6.247 -1.214 644 HD2 HIS 85 HD2 HIS 85 -8.435 -5.095 -2.113 645 HE1 HIS 85 HE1 HIS 85 -7.448 -8.045 -4.989 646 HE2 HIS 85 HE2 HIS 85 -9.164 -6.296 -4.320 647 H SER 86 H SER 86 -4.441 -8.169 1.637 648 HA SER 86 HA SER 86 -4.016 -6.180 3.718 649 1HB SER 86 HB2 SER 86 -2.024 -7.961 3.978 650 2HB SER 86 HB3 SER 86 -3.680 -8.324 4.469 651 HG SER 86 HG SER 86 -3.057 -9.986 3.301 652 H PHE 87 H PHE 87 -1.803 -5.231 4.050 653 HA PHE 87 HA PHE 87 -0.183 -5.004 1.563 654 1HB PHE 87 HB2 PHE 87 -1.527 -2.967 2.040 655 2HB PHE 87 HB3 PHE 87 -0.634 -2.705 3.505 656 HD1 PHE 87 HD2 PHE 87 2.014 -2.549 3.220 657 HD2 PHE 87 HD1 PHE 87 -0.802 -2.068 -0.009 658 HE1 PHE 87 HE2 PHE 87 3.617 -1.077 2.031 659 HE2 PHE 87 HE1 PHE 87 0.850 -0.707 -1.243 660 HZ PHE 87 HZ PHE 87 3.042 -0.161 -0.204 661 H ASP 88 H ASP 88 1.569 -6.319 2.276 662 HA ASP 88 HA ASP 88 2.622 -5.887 5.051 663 1HB ASP 88 HB2 ASP 88 2.612 -8.450 3.416 664 2HB ASP 88 HB3 ASP 88 3.366 -8.205 5.003 665 HD1 ASP 88 HD ASP 88 -0.224 -7.520 6.024 666 H ILE 89 H ILE 89 4.737 -5.553 5.309 667 HA ILE 89 HA ILE 89 6.326 -5.106 2.863 668 HB ILE 89 HB ILE 89 6.607 -3.709 5.557 669 1HG1 ILE 89 HG12 ILE 89 5.210 -2.805 3.003 670 2HG1 ILE 89 HG13 ILE 89 4.445 -3.131 4.565 671 1HG2 ILE 89 HG21 ILE 89 8.679 -3.837 4.195 672 2HG2 ILE 89 HG22 ILE 89 7.801 -3.154 2.810 673 3HG2 ILE 89 HG23 ILE 89 8.060 -2.201 4.287 674 1HD1 ILE 89 HD12 ILE 89 5.835 -1.291 5.580 675 2HD1 ILE 89 HD13 ILE 89 6.329 -0.842 3.930 676 3HD1 ILE 89 HD11 ILE 89 4.625 -0.778 4.391 677 H THR 90 H THR 90 8.313 -6.057 2.699 678 HA THR 90 HA THR 90 9.740 -7.184 4.937 679 HB THR 90 HB THR 90 8.100 -8.887 4.747 680 HG1 THR 90 HG1 THR 90 9.475 -10.542 4.647 681 1HG2 THR 90 HG23 THR 90 8.832 -9.149 1.788 682 2HG2 THR 90 HG21 THR 90 7.819 -10.290 2.693 683 3HG2 THR 90 HG22 THR 90 7.271 -8.625 2.449 684 H LYS 91 H LYS 91 11.288 -8.980 3.252 685 HA LYS 91 HA LYS 91 12.409 -7.036 1.237 686 1HB LYS 91 HB2 LYS 91 14.028 -8.741 3.190 687 2HB LYS 91 HB3 LYS 91 14.675 -7.613 1.985 688 1HG LYS 91 HG2 LYS 91 13.450 -5.757 3.154 689 2HG LYS 91 HG3 LYS 91 13.040 -6.873 4.457 690 1HD LYS 91 HD2 LYS 91 15.829 -6.045 3.518 691 2HD LYS 91 HD3 LYS 91 15.022 -5.484 4.980 692 1HE LYS 91 HE2 LYS 91 15.970 -8.334 4.416 693 2HE LYS 91 HE3 LYS 91 16.672 -7.181 5.554 694 1HZ LYS 91 HZ1 LYS 91 14.610 -7.230 6.777 695 2HZ LYS 91 HZ2 LYS 91 13.986 -8.347 5.738 696 3HZ LYS 91 HZ3 LYS 91 15.286 -8.729 6.676 697 H LYS 92 H LYS 92 10.900 -9.883 1.385 698 HA LYS 92 HA LYS 92 12.672 -11.559 -0.192 699 1HB LYS 92 HB2 LYS 92 9.642 -11.646 0.091 700 2HB LYS 92 HB3 LYS 92 10.684 -12.924 -0.548 701 1HG LYS 92 HG2 LYS 92 11.756 -13.102 1.727 702 2HG LYS 92 HG3 LYS 92 10.689 -11.816 2.308 703 1HD LYS 92 HD2 LYS 92 9.591 -13.732 3.011 704 2HD LYS 92 HD3 LYS 92 8.701 -13.258 1.569 705 1HE LYS 92 HE2 LYS 92 9.941 -14.973 0.243 706 2HE LYS 92 HE3 LYS 92 10.887 -15.394 1.686 707 1HZ LYS 92 HZ1 LYS 92 8.797 -15.980 2.751 708 2HZ LYS 92 HZ2 LYS 92 7.988 -15.707 1.343 709 3HZ LYS 92 HZ3 LYS 92 9.117 -16.902 1.418 710 H GLY 93 H GLY 93 12.135 -12.104 -2.526 711 1HA GLY 93 HA2 GLY 93 11.488 -9.618 -4.051 712 2HA GLY 93 HA3 GLY 93 12.500 -10.957 -4.598 713 HA PRO 94 HA PRO 94 7.997 -11.787 -5.846 714 1HB PRO 94 HB2 PRO 94 7.837 -10.728 -8.376 715 2HB PRO 94 HB3 PRO 94 7.486 -9.758 -6.926 716 1HG PRO 94 HG2 PRO 94 10.088 -9.908 -8.468 717 2HG PRO 94 HG3 PRO 94 9.211 -8.441 -7.943 718 1HD PRO 94 HD2 PRO 94 11.306 -9.483 -6.523 719 2HD PRO 94 HD3 PRO 94 9.908 -8.728 -5.703 720 HA PRO 95 HA PRO 95 6.565 -12.741 -7.526 721 1HB PRO 95 HB2 PRO 95 5.664 -15.191 -8.230 722 2HB PRO 95 HB3 PRO 95 6.314 -14.050 -9.441 723 1HG PRO 95 HG2 PRO 95 7.771 -16.362 -8.135 724 2HG PRO 95 HG3 PRO 95 7.677 -15.959 -9.872 725 1HD PRO 95 HD2 PRO 95 9.780 -15.180 -8.257 726 2HD PRO 95 HD3 PRO 95 9.220 -14.189 -9.632 727 H TYR 96 H TYR 96 5.445 -13.021 -5.546 728 HA TYR 96 HA TYR 96 6.940 -14.395 -3.423 729 1HB TYR 96 HB2 TYR 96 4.446 -12.855 -3.517 730 2HB TYR 96 HB3 TYR 96 5.230 -13.303 -1.997 731 HD1 TYR 96 HD2 TYR 96 7.358 -12.322 -1.276 732 HD2 TYR 96 HD1 TYR 96 5.326 -10.852 -4.787 733 HE1 TYR 96 HE2 TYR 96 8.707 -10.240 -1.255 734 HE2 TYR 96 HE1 TYR 96 6.865 -8.945 -4.890 735 HH TYR 96 HH TYR 96 9.634 -8.639 -2.664 736 H ALA 97 H ALA 97 5.695 -16.030 -5.402 737 HA ALA 97 HA ALA 97 4.783 -18.056 -5.639 738 1HB ALA 97 HB1 ALA 97 5.936 -18.541 -3.478 739 2HB ALA 97 HB2 ALA 97 4.427 -18.149 -2.620 740 3HB ALA 97 HB3 ALA 97 4.480 -19.523 -3.733 741 H VAL 98 H VAL 98 2.846 -19.308 -5.678 742 HA VAL 98 HA VAL 98 0.496 -17.686 -6.044 743 HB VAL 98 HB VAL 98 0.892 -20.690 -6.042 744 1HG1 VAL 98 HG13 VAL 98 -1.457 -18.999 -7.016 745 2HG1 VAL 98 HG11 VAL 98 -1.248 -20.734 -7.334 746 3HG1 VAL 98 HG12 VAL 98 -1.494 -20.167 -5.679 747 1HG2 VAL 98 HG23 VAL 98 0.749 -18.669 -8.320 748 2HG2 VAL 98 HG21 VAL 98 2.202 -19.546 -7.800 749 3HG2 VAL 98 HG22 VAL 98 0.846 -20.431 -8.506 750 H MET 99 H MET 99 1.512 -20.038 -3.533 751 HA MET 99 HA MET 99 -0.907 -19.488 -1.980 752 1HB MET 99 HB2 MET 99 1.623 -21.063 -1.315 753 2HB MET 99 HB3 MET 99 0.200 -20.955 -0.271 754 1HG MET 99 HG2 MET 99 0.244 -22.152 -3.068 755 2HG MET 99 HG3 MET 99 0.221 -23.042 -1.545 756 1HE MET 99 HE1 MET 99 -1.772 -24.503 -2.418 757 2HE MET 99 HE2 MET 99 -3.287 -23.821 -3.057 758 3HE MET 99 HE3 MET 99 -1.765 -23.595 -3.951 759 HA PRO 100 HA PRO 100 0.780 -15.981 0.013 760 1HB PRO 100 HB2 PRO 100 -0.196 -16.980 2.698 761 2HB PRO 100 HB3 PRO 100 -0.522 -15.428 1.884 762 1HG PRO 100 HG2 PRO 100 -2.387 -17.379 1.914 763 2HG PRO 100 HG3 PRO 100 -2.050 -16.528 0.373 764 1HD PRO 100 HD2 PRO 100 -0.855 -19.165 1.315 765 2HD PRO 100 HD3 PRO 100 -1.744 -18.826 -0.186 766 H VAL 101 H VAL 101 3.034 -17.406 -0.346 767 HA VAL 101 HA VAL 101 4.380 -17.921 2.229 768 HB VAL 101 HB VAL 101 5.627 -17.996 -0.534 769 1HG1 VAL 101 HG12 VAL 101 7.170 -18.085 1.458 770 2HG1 VAL 101 HG13 VAL 101 6.256 -19.471 2.073 771 3HG1 VAL 101 HG11 VAL 101 7.155 -19.599 0.550 772 1HG2 VAL 101 HG21 VAL 101 4.112 -20.194 0.951 773 2HG2 VAL 101 HG22 VAL 101 3.688 -19.507 -0.630 774 3HG2 VAL 101 HG23 VAL 101 5.160 -20.461 -0.457 775 H ILE 102 H ILE 102 3.539 -15.492 2.478 776 HA ILE 102 HA ILE 102 5.393 -13.497 1.400 777 HB ILE 102 HB ILE 102 4.194 -11.890 2.514 778 1HG1 ILE 102 HG12 ILE 102 3.772 -12.834 4.726 779 2HG1 ILE 102 HG13 ILE 102 2.413 -12.008 4.010 780 1HG2 ILE 102 HG22 ILE 102 3.188 -12.722 0.460 781 2HG2 ILE 102 HG23 ILE 102 2.183 -13.863 1.366 782 3HG2 ILE 102 HG21 ILE 102 1.950 -12.117 1.578 783 1HD1 ILE 102 HD13 ILE 102 1.367 -14.215 3.446 784 2HD1 ILE 102 HD11 ILE 102 2.737 -15.016 4.255 785 3HD1 ILE 102 HD12 ILE 102 1.651 -13.977 5.174 786 H ASP 103 H ASP 103 4.842 -15.126 4.433 787 HA ASP 103 HA ASP 103 6.343 -13.624 6.167 788 1HB ASP 103 HB2 ASP 103 5.856 -16.625 6.145 789 2HB ASP 103 HB3 ASP 103 6.660 -15.809 7.486 790 HD2 ASP 103 HD ASP 103 2.730 -15.473 7.118 791 HA PRO 104 HA PRO 104 7.877 -13.824 8.009 792 1HB PRO 104 HB2 PRO 104 10.093 -12.383 8.646 793 2HB PRO 104 HB3 PRO 104 10.030 -14.163 8.798 794 1HG PRO 104 HG2 PRO 104 11.144 -12.556 6.475 795 2HG PRO 104 HG3 PRO 104 11.953 -13.874 7.375 796 1HD PRO 104 HD2 PRO 104 10.651 -14.351 5.034 797 2HD PRO 104 HD3 PRO 104 10.544 -15.521 6.375 798 H ILE 105 H ILE 105 7.151 -11.724 8.611 799 HA ILE 105 HA ILE 105 7.242 -9.619 6.509 800 HB ILE 105 HB ILE 105 5.062 -10.396 8.463 801 1HG1 ILE 105 HG12 ILE 105 4.905 -11.692 6.464 802 2HG1 ILE 105 HG13 ILE 105 3.656 -10.453 6.396 803 1HG2 ILE 105 HG21 ILE 105 5.243 -7.856 6.810 804 2HG2 ILE 105 HG22 ILE 105 3.763 -8.456 7.583 805 3HG2 ILE 105 HG23 ILE 105 5.140 -7.996 8.576 806 1HD1 ILE 105 HD13 ILE 105 5.438 -9.098 4.956 807 2HD1 ILE 105 HD11 ILE 105 6.192 -10.692 4.764 808 3HD1 ILE 105 HD12 ILE 105 4.530 -10.427 4.227 809 H VAL 106 H VAL 106 7.702 -7.544 7.152 810 HA VAL 106 HA VAL 106 8.950 -7.295 9.855 811 HB VAL 106 HB VAL 106 9.139 -5.546 7.357 812 1HG1 VAL 106 HG11 VAL 106 10.538 -5.297 10.061 813 2HG1 VAL 106 HG12 VAL 106 10.892 -4.333 8.613 814 3HG1 VAL 106 HG13 VAL 106 9.333 -4.163 9.422 815 1HG2 VAL 106 HG23 VAL 106 10.383 -7.688 7.176 816 2HG2 VAL 106 HG21 VAL 106 11.470 -6.300 7.302 817 3HG2 VAL 106 HG22 VAL 106 11.191 -7.340 8.715 818 H ALA 107 H ALA 107 7.284 -4.934 7.820 819 HA ALA 107 HA ALA 107 5.365 -4.331 10.048 820 1HB ALA 107 HB3 ALA 107 6.782 -2.383 9.420 821 2HB ALA 107 HB1 ALA 107 6.239 -2.536 7.736 822 3HB ALA 107 HB2 ALA 107 5.075 -2.130 9.018 823 H GLY 108 H GLY 108 3.030 -4.124 9.329 824 1HA GLY 108 HA2 GLY 108 2.355 -4.345 6.641 825 2HA GLY 108 HA3 GLY 108 2.415 -6.016 7.288 826 H THR 109 H THR 109 0.097 -5.267 6.300 827 HA THR 109 HA THR 109 -1.683 -4.825 8.683 828 HB THR 109 HB THR 109 -3.310 -4.001 6.834 829 HG1 THR 109 HG1 THR 109 -0.861 -3.810 5.418 830 1HG2 THR 109 HG21 THR 109 -0.789 -2.455 7.505 831 2HG2 THR 109 HG22 THR 109 -2.221 -1.747 6.713 832 3HG2 THR 109 HG23 THR 109 -2.336 -2.398 8.362 833 H GLY 110 H GLY 110 -3.198 -6.324 9.041 834 1HA GLY 110 HA2 GLY 110 -3.267 -8.782 7.446 835 2HA GLY 110 HA3 GLY 110 -4.229 -8.313 8.859 836 H PHE 111 H PHE 111 -6.080 -9.212 7.258 837 HA PHE 111 HA PHE 111 -6.504 -7.871 4.825 838 1HB PHE 111 HB2 PHE 111 -8.612 -9.362 6.397 839 2HB PHE 111 HB3 PHE 111 -8.574 -9.086 4.669 840 HD1 PHE 111 HD1 PHE 111 -6.356 -9.931 3.409 841 HD2 PHE 111 HD2 PHE 111 -7.735 -11.448 7.208 842 HE1 PHE 111 HE1 PHE 111 -4.977 -11.956 3.104 843 HE2 PHE 111 HE2 PHE 111 -6.296 -13.444 6.919 844 HZ PHE 111 HZ PHE 111 -4.901 -13.694 4.877 845 H SER 112 H SER 112 -7.295 -5.923 4.338 846 HA SER 112 HA SER 112 -8.013 -4.051 6.351 847 1HB SER 112 HB2 SER 112 -8.344 -2.654 4.113 848 2HB SER 112 HB3 SER 112 -6.738 -3.258 4.565 849 HG SER 112 HG SER 112 -6.769 -4.426 2.820 850 HA PRO 113 HA PRO 113 -12.495 -4.069 6.038 851 1HB PRO 113 HB2 PRO 113 -13.181 -1.477 6.489 852 2HB PRO 113 HB3 PRO 113 -12.382 -2.450 7.760 853 1HG PRO 113 HG2 PRO 113 -11.073 -0.512 5.825 854 2HG PRO 113 HG3 PRO 113 -10.890 -0.555 7.592 855 1HD PRO 113 HD2 PRO 113 -9.107 -1.736 5.925 856 2HD PRO 113 HD3 PRO 113 -9.518 -2.493 7.471 857 H VAL 114 H VAL 114 -14.041 -3.776 4.329 858 HA VAL 114 HA VAL 114 -13.298 -2.040 2.026 859 HB VAL 114 HB VAL 114 -13.784 -4.172 0.599 860 1HG1 VAL 114 HG11 VAL 114 -11.737 -2.910 0.522 861 2HG1 VAL 114 HG12 VAL 114 -11.102 -3.801 1.928 862 3HG1 VAL 114 HG13 VAL 114 -11.477 -4.637 0.407 863 1HG2 VAL 114 HG23 VAL 114 -14.285 -5.715 2.518 864 2HG2 VAL 114 HG21 VAL 114 -12.861 -6.216 1.587 865 3HG2 VAL 114 HG22 VAL 114 -12.638 -5.460 3.142 866 HA PRO 115 HA PRO 115 -17.855 -1.740 2.750 867 1HB PRO 115 HB2 PRO 115 -16.949 0.904 1.560 868 2HB PRO 115 HB3 PRO 115 -18.271 0.609 2.728 869 1HG PRO 115 HG2 PRO 115 -15.879 1.515 3.621 870 2HG PRO 115 HG3 PRO 115 -16.661 0.149 4.478 871 1HD PRO 115 HD2 PRO 115 -14.468 0.011 2.386 872 2HD PRO 115 HD3 PRO 115 -14.569 -0.809 3.968 873 H LYS 116 H LYS 116 -19.518 -1.220 1.053 874 HA LYS 116 HA LYS 116 -18.506 -1.867 -1.672 875 1HB LYS 116 HB2 LYS 116 -21.079 -2.846 -0.375 876 2HB LYS 116 HB3 LYS 116 -20.440 -3.297 -1.966 877 1HG LYS 116 HG2 LYS 116 -18.348 -4.145 -0.735 878 2HG LYS 116 HG3 LYS 116 -19.264 -3.971 0.767 879 1HD LYS 116 HD2 LYS 116 -20.994 -5.521 -0.089 880 2HD LYS 116 HD3 LYS 116 -20.117 -5.665 -1.627 881 1HE LYS 116 HE2 LYS 116 -18.144 -6.585 -0.412 882 2HE LYS 116 HE3 LYS 116 -19.038 -6.480 1.115 883 1HZ LYS 116 HZ3 LYS 116 -19.792 -8.098 -1.218 884 2HZ LYS 116 HZ1 LYS 116 -19.120 -8.662 0.175 885 3HZ LYS 116 HZ2 LYS 116 -20.634 -8.009 0.197 886 H ASP 117 H ASP 117 -19.777 0.617 -0.140 887 HA ASP 117 HA ASP 117 -20.341 2.052 -2.479 888 1HB ASP 117 HB2 ASP 117 -22.471 0.809 -2.652 889 2HB ASP 117 HB3 ASP 117 -22.852 1.189 -0.961 890 HD1 ASP 117 HD ASP 117 -22.900 4.357 -3.437 891 H GLY 118 H GLY 118 -20.689 4.246 -2.015 892 1HA GLY 118 HA2 GLY 118 -20.518 6.215 -0.918 893 2HA GLY 118 HA3 GLY 118 -21.325 5.481 0.463 894 H LYS 119 H LYS 119 -19.685 3.771 1.595 895 HA LYS 119 HA LYS 119 -17.694 5.560 2.709 896 1HB LYS 119 HB2 LYS 119 -18.517 2.731 3.443 897 2HB LYS 119 HB3 LYS 119 -17.296 3.684 4.308 898 1HG LYS 119 HG2 LYS 119 -18.988 5.417 4.803 899 2HG LYS 119 HG3 LYS 119 -20.225 4.447 3.974 900 1HD LYS 119 HD2 LYS 119 -19.875 2.599 5.596 901 2HD LYS 119 HD3 LYS 119 -18.558 3.502 6.361 902 1HE LYS 119 HE2 LYS 119 -20.571 3.706 7.709 903 2HE LYS 119 HE3 LYS 119 -20.138 5.286 7.039 904 1HZ LYS 119 HZ3 LYS 119 -22.193 3.474 5.965 905 2HZ LYS 119 HZ1 LYS 119 -22.475 4.825 6.868 906 3HZ LYS 119 HZ2 LYS 119 -21.813 4.963 5.366 907 H PHE 120 H PHE 120 -15.532 4.906 3.067 908 HA PHE 120 HA PHE 120 -14.246 3.318 0.891 909 1HB PHE 120 HB2 PHE 120 -13.984 6.157 1.744 910 2HB PHE 120 HB3 PHE 120 -12.483 5.386 1.336 911 HD1 PHE 120 HD2 PHE 120 -15.966 6.025 0.062 912 HD2 PHE 120 HD1 PHE 120 -12.172 4.403 -0.970 913 HE1 PHE 120 HE2 PHE 120 -16.611 6.091 -2.315 914 HE2 PHE 120 HE1 PHE 120 -12.757 4.526 -3.377 915 HZ PHE 120 HZ PHE 120 -14.958 5.458 -4.066 916 H GLY 121 H GLY 121 -13.223 1.718 1.834 917 1HA GLY 121 HA2 GLY 121 -12.683 1.586 4.702 918 2HA GLY 121 HA3 GLY 121 -12.287 0.379 3.463 919 H TYR 122 H TYR 122 -10.824 2.345 5.634 920 HA TYR 122 HA TYR 122 -8.412 2.445 3.985 921 1HB TYR 122 HB2 TYR 122 -7.795 4.660 4.610 922 2HB TYR 122 HB3 TYR 122 -9.404 4.731 3.987 923 HD1 TYR 122 HD1 TYR 122 -7.081 5.111 6.788 924 HD2 TYR 122 HD2 TYR 122 -11.184 5.495 5.574 925 HE1 TYR 122 HE1 TYR 122 -7.452 6.743 8.587 926 HE2 TYR 122 HE2 TYR 122 -11.607 6.993 7.540 927 HH TYR 122 HH TYR 122 -8.957 8.178 9.574 928 H THR 123 H THR 123 -6.482 2.879 5.337 929 HA THR 123 HA THR 123 -6.628 1.911 8.094 930 HB THR 123 HB THR 123 -5.646 0.232 5.775 931 HG1 THR 123 HG1 THR 123 -7.752 0.124 7.082 932 1HG2 THR 123 HG21 THR 123 -4.739 -0.108 8.651 933 2HG2 THR 123 HG22 THR 123 -4.508 -1.256 7.300 934 3HG2 THR 123 HG23 THR 123 -3.702 0.308 7.269 935 H ASP 124 H ASP 124 -5.111 2.988 9.153 936 HA ASP 124 HA ASP 124 -2.810 4.218 7.668 937 1HB ASP 124 HB2 ASP 124 -4.563 5.276 9.879 938 2HB ASP 124 HB3 ASP 124 -2.844 5.682 9.870 939 HD2 ASP 124 HD ASP 124 -2.828 7.480 6.982 940 H PHE 125 H PHE 125 -1.117 2.837 7.999 941 HA PHE 125 HA PHE 125 -0.636 2.070 10.847 942 1HB PHE 125 HB2 PHE 125 0.234 0.029 10.379 943 2HB PHE 125 HB3 PHE 125 -1.255 0.093 9.457 944 HD1 PHE 125 HD2 PHE 125 -1.091 0.481 6.906 945 HD2 PHE 125 HD1 PHE 125 2.350 -0.396 9.359 946 HE1 PHE 125 HE2 PHE 125 -0.021 -0.694 4.999 947 HE2 PHE 125 HE1 PHE 125 3.464 -1.438 7.409 948 HZ PHE 125 HZ PHE 125 2.270 -1.645 5.258 949 H THR 126 H THR 126 1.575 2.173 11.463 950 HA THR 126 HA THR 126 3.126 4.113 9.826 951 HB THR 126 HB THR 126 3.072 3.768 12.838 952 HG1 THR 126 HG1 THR 126 1.847 5.778 11.247 953 1HG2 THR 126 HG21 THR 126 4.225 5.888 10.979 954 2HG2 THR 126 HG22 THR 126 4.053 6.093 12.738 955 3HG2 THR 126 HG23 THR 126 5.137 4.847 12.092 956 H TRP 127 H TRP 127 5.333 3.809 9.537 957 HA TRP 127 HA TRP 127 6.735 1.702 11.032 958 1HB TRP 127 HB2 TRP 127 5.897 0.603 8.988 959 2HB TRP 127 HB3 TRP 127 6.525 1.906 7.995 960 HD1 TRP 127 HD1 TRP 127 8.424 -0.130 10.651 961 HE1 TRP 127 HE1 TRP 127 10.360 -1.399 9.546 962 HE3 TRP 127 HE3 TRP 127 7.637 1.289 5.848 963 HZ2 TRP 127 HZ2 TRP 127 11.343 -1.838 6.819 964 HZ3 TRP 127 HZ3 TRP 127 9.092 0.478 4.012 965 HH2 TRP 127 HH2 TRP 127 10.845 -1.167 4.459 966 H HIS 128 H HIS 128 9.021 1.986 11.008 967 HA HIS 128 HA HIS 128 10.058 4.614 10.040 968 1HB HIS 128 HB2 HIS 128 10.587 3.244 12.698 969 2HB HIS 128 HB3 HIS 128 11.529 4.583 12.035 970 HD1 HIS 128 HD1 HIS 128 8.193 3.925 13.745 971 HD2 HIS 128 HD2 HIS 128 10.244 6.986 11.695 972 HE1 HIS 128 HE1 HIS 128 6.859 6.089 14.125 973 HE2 HIS 128 HE2 HIS 128 8.113 7.940 12.843 974 HA PRO 129 HA PRO 129 12.215 0.985 8.300 975 1HB PRO 129 HB2 PRO 129 12.843 1.876 5.890 976 2HB PRO 129 HB3 PRO 129 11.166 1.485 6.342 977 1HG PRO 129 HG2 PRO 129 12.411 4.235 6.296 978 2HG PRO 129 HG3 PRO 129 10.879 3.686 5.562 979 1HD PRO 129 HD2 PRO 129 11.025 4.856 8.035 980 2HD PRO 129 HD3 PRO 129 9.807 3.585 7.689 981 H THR 130 H THR 130 14.533 0.522 8.236 982 HA THR 130 HA THR 130 16.431 2.777 8.568 983 HB THR 130 HB THR 130 17.972 0.755 9.056 984 HG1 THR 130 HG1 THR 130 16.807 -1.147 9.576 985 1HG2 THR 130 HG22 THR 130 15.538 1.189 10.860 986 2HG2 THR 130 HG23 THR 130 17.086 0.476 11.356 987 3HG2 THR 130 HG21 THR 130 17.014 2.178 10.862 988 H ALA 131 H ALA 131 18.388 2.743 7.211 989 HA ALA 131 HA ALA 131 17.671 2.775 4.542 990 1HB ALA 131 HB1 ALA 131 19.523 4.083 5.472 991 2HB ALA 131 HB2 ALA 131 20.491 2.598 5.634 992 3HB ALA 131 HB3 ALA 131 20.008 3.188 4.024 993 H GLY 132 H GLY 132 18.078 1.543 2.722 994 1HA GLY 132 HA2 GLY 132 19.435 -0.375 1.847 995 2HA GLY 132 HA3 GLY 132 18.617 -1.372 3.085 996 H THR 133 H THR 133 17.016 -2.561 2.000 997 HA THR 133 HA THR 133 15.184 -1.174 0.208 998 HB THR 133 HB THR 133 16.916 -3.489 -0.770 999 HG1 THR 133 HG1 THR 133 17.156 -0.734 -0.902 1000 1HG2 THR 133 HG22 THR 133 14.883 -1.772 -2.265 1001 2HG2 THR 133 HG23 THR 133 15.937 -3.002 -2.979 1002 3HG2 THR 133 HG21 THR 133 14.674 -3.486 -1.840 1003 H TYR 134 H TYR 134 13.268 -2.285 -0.103 1004 HA TYR 134 HA TYR 134 12.731 -4.780 1.306 1005 1HB TYR 134 HB2 TYR 134 11.265 -2.197 1.998 1006 2HB TYR 134 HB3 TYR 134 10.944 -3.744 2.689 1007 HD1 TYR 134 HD1 TYR 134 13.393 -0.977 2.447 1008 HD2 TYR 134 HD2 TYR 134 12.053 -4.384 4.718 1009 HE1 TYR 134 HE1 TYR 134 14.777 -0.253 4.341 1010 HE2 TYR 134 HE2 TYR 134 13.401 -3.612 6.651 1011 HH TYR 134 HH TYR 134 15.395 -0.649 6.524 1012 H TYR 135 H TYR 135 10.178 -5.082 0.997 1013 HA TYR 135 HA TYR 135 9.256 -4.029 -1.551 1014 1HB TYR 135 HB2 TYR 135 9.574 -6.987 -0.942 1015 2HB TYR 135 HB3 TYR 135 8.607 -6.329 -2.259 1016 HD1 TYR 135 HD1 TYR 135 12.099 -6.673 -0.982 1017 HD2 TYR 135 HD2 TYR 135 9.581 -5.784 -4.359 1018 HE1 TYR 135 HE1 TYR 135 14.052 -6.878 -2.486 1019 HE2 TYR 135 HE2 TYR 135 11.522 -6.050 -5.869 1020 HH TYR 135 HH TYR 135 13.779 -6.494 -6.030 1021 H TYR 136 H TYR 136 6.910 -4.396 -1.789 1022 HA TYR 136 HA TYR 136 5.537 -5.155 0.737 1023 1HB TYR 136 HB2 TYR 136 3.828 -3.496 0.308 1024 2HB TYR 136 HB3 TYR 136 5.405 -2.771 0.577 1025 HD1 TYR 136 HD2 TYR 136 2.745 -3.388 -1.933 1026 HD2 TYR 136 HD1 TYR 136 6.575 -1.569 -1.192 1027 HE1 TYR 136 HE2 TYR 136 2.450 -1.915 -3.933 1028 HE2 TYR 136 HE1 TYR 136 6.238 -0.058 -3.122 1029 HH TYR 136 HH TYR 136 4.879 0.491 -4.869 1030 H VAL 137 H VAL 137 3.590 -6.311 0.532 1031 HA VAL 137 HA VAL 137 2.688 -7.161 -2.160 1032 HB VAL 137 HB VAL 137 2.991 -9.467 -1.728 1033 1HG1 VAL 137 HG13 VAL 137 5.023 -8.355 -2.567 1034 2HG1 VAL 137 HG11 VAL 137 5.621 -8.165 -0.896 1035 3HG1 VAL 137 HG12 VAL 137 5.362 -9.771 -1.561 1036 1HG2 VAL 137 HG23 VAL 137 4.034 -8.731 1.052 1037 2HG2 VAL 137 HG21 VAL 137 2.550 -9.646 0.693 1038 3HG2 VAL 137 HG22 VAL 137 4.125 -10.346 0.334 1039 H CYS 138 H CYS 138 0.696 -8.357 -2.125 1040 HA CYS 138 HA CYS 138 -1.057 -8.043 0.277 1041 1HB CYS 138 HB2 CYS 138 -1.991 -7.137 -1.779 1042 2HB CYS 138 HB3 CYS 138 -1.496 -8.595 -2.664 1043 H GLN 139 H GLN 139 -1.750 -9.912 1.391 1044 HA GLN 139 HA GLN 139 -0.198 -12.305 0.931 1045 1HB GLN 139 HB2 GLN 139 -2.658 -11.916 2.634 1046 2HB GLN 139 HB3 GLN 139 -1.514 -13.243 2.785 1047 1HG GLN 139 HG2 GLN 139 0.211 -11.804 3.600 1048 2HG GLN 139 HG3 GLN 139 -0.681 -10.344 3.168 1049 1HE2 GLN 139 HE22 GLN 139 -1.381 -11.978 6.780 1050 2HE2 GLN 139 HE21 GLN 139 -0.050 -12.485 5.756 1051 H ILE 140 H ILE 140 -3.467 -11.410 0.030 1052 HA ILE 140 HA ILE 140 -4.706 -13.847 -0.101 1053 HB ILE 140 HB ILE 140 -5.098 -11.483 -1.921 1054 1HG1 ILE 140 HG12 ILE 140 -6.454 -12.338 0.686 1055 2HG1 ILE 140 HG13 ILE 140 -5.308 -11.007 0.526 1056 1HG2 ILE 140 HG21 ILE 140 -6.165 -13.528 -2.877 1057 2HG2 ILE 140 HG22 ILE 140 -7.026 -13.770 -1.341 1058 3HG2 ILE 140 HG23 ILE 140 -7.357 -12.349 -2.349 1059 1HD1 ILE 140 HD11 ILE 140 -6.893 -9.873 -1.050 1060 2HD1 ILE 140 HD12 ILE 140 -8.105 -11.099 -0.607 1061 3HD1 ILE 140 HD13 ILE 140 -7.424 -10.034 0.634 1062 HA PRO 141 HA PRO 141 -2.273 -16.342 -2.725 1063 1HB PRO 141 HB2 PRO 141 -4.963 -17.326 -3.740 1064 2HB PRO 141 HB3 PRO 141 -3.496 -18.297 -3.410 1065 1HG PRO 141 HG2 PRO 141 -5.447 -18.132 -1.536 1066 2HG PRO 141 HG3 PRO 141 -3.737 -17.965 -1.050 1067 1HD PRO 141 HD2 PRO 141 -5.797 -15.807 -1.391 1068 2HD PRO 141 HD3 PRO 141 -4.479 -15.971 -0.190 1069 H GLY 142 H GLY 142 -1.392 -16.441 -4.777 1070 1HA GLY 142 HA2 GLY 142 -1.061 -16.014 -7.013 1071 2HA GLY 142 HA3 GLY 142 -2.759 -15.563 -7.172 1072 H HIS 143 H HIS 143 -2.801 -13.429 -5.251 1073 HA HIS 143 HA HIS 143 -2.272 -11.302 -6.947 1074 1HB HIS 143 HB2 HIS 143 -2.441 -11.185 -3.915 1075 2HB HIS 143 HB3 HIS 143 -2.580 -9.847 -5.038 1076 HD2 HIS 143 HD2 HIS 143 -4.566 -12.733 -6.423 1077 HE1 HIS 143 HE1 HIS 143 -7.362 -10.357 -4.301 1078 HE2 HIS 143 HE2 HIS 143 -7.068 -12.302 -5.911 1079 H ALA 144 H ALA 144 -0.142 -12.394 -4.212 1080 HA ALA 144 HA ALA 144 1.894 -10.442 -5.021 1081 1HB ALA 144 HB1 ALA 144 1.559 -11.008 -2.689 1082 2HB ALA 144 HB2 ALA 144 2.251 -12.622 -2.997 1083 3HB ALA 144 HB3 ALA 144 3.207 -11.128 -3.284 1084 H ALA 145 H ALA 145 0.983 -13.558 -6.251 1085 HA ALA 145 HA ALA 145 3.695 -14.441 -6.930 1086 1HB ALA 145 HB2 ALA 145 1.711 -16.015 -6.797 1087 2HB ALA 145 HB3 ALA 145 1.098 -15.295 -8.287 1088 3HB ALA 145 HB1 ALA 145 2.665 -16.114 -8.276 1089 H THR 146 H THR 146 0.865 -13.088 -8.650 1090 HA THR 146 HA THR 146 2.557 -11.338 -10.336 1091 HB THR 146 HB THR 146 1.437 -12.243 -12.395 1092 HG1 THR 146 HG1 THR 146 -0.221 -13.326 -11.224 1093 1HG2 THR 146 HG23 THR 146 3.780 -12.951 -11.788 1094 2HG2 THR 146 HG21 THR 146 3.090 -14.408 -11.035 1095 3HG2 THR 146 HG22 THR 146 2.878 -14.127 -12.766 1096 H GLY 147 H GLY 147 1.377 -9.675 -9.078 1097 1HA GLY 147 HA2 GLY 147 -0.974 -8.886 -10.475 1098 2HA GLY 147 HA3 GLY 147 -1.439 -9.591 -8.914 1099 H MET 148 H MET 148 0.050 -8.651 -7.010 1100 HA MET 148 HA MET 148 0.334 -5.726 -7.370 1101 1HB MET 148 HB2 MET 148 -1.133 -5.153 -5.632 1102 2HB MET 148 HB3 MET 148 -1.992 -6.104 -6.853 1103 1HG MET 148 HG2 MET 148 -1.392 -8.062 -5.138 1104 2HG MET 148 HG3 MET 148 -1.335 -6.706 -4.007 1105 1HE MET 148 HE1 MET 148 -3.458 -4.773 -5.364 1106 2HE MET 148 HE2 MET 148 -5.023 -5.252 -4.686 1107 3HE MET 148 HE3 MET 148 -3.623 -5.053 -3.612 1108 H PHE 149 H PHE 149 2.299 -5.240 -6.706 1109 HA PHE 149 HA PHE 149 3.071 -5.635 -4.004 1110 1HB PHE 149 HB2 PHE 149 5.161 -7.022 -4.488 1111 2HB PHE 149 HB3 PHE 149 3.648 -7.837 -4.593 1112 HD1 PHE 149 HD1 PHE 149 5.798 -5.879 -7.066 1113 HD2 PHE 149 HD2 PHE 149 3.567 -9.476 -6.208 1114 HE1 PHE 149 HE1 PHE 149 6.420 -6.803 -9.261 1115 HE2 PHE 149 HE2 PHE 149 4.270 -10.426 -8.370 1116 HZ PHE 149 HZ PHE 149 5.667 -9.077 -9.928 1117 H GLY 150 H GLY 150 5.812 -4.923 -4.189 1118 1HA GLY 150 HA2 GLY 150 6.672 -3.247 -6.304 1119 2HA GLY 150 HA3 GLY 150 5.733 -2.232 -5.214 1120 H LYS 151 H LYS 151 8.230 -1.523 -5.422 1121 HA LYS 151 HA LYS 151 9.906 -2.938 -3.413 1122 1HB LYS 151 HB2 LYS 151 10.985 -1.020 -5.448 1123 2HB LYS 151 HB3 LYS 151 11.769 -2.366 -4.618 1124 1HG LYS 151 HG2 LYS 151 10.259 -3.925 -5.984 1125 2HG LYS 151 HG3 LYS 151 9.754 -2.491 -6.899 1126 1HD LYS 151 HD2 LYS 151 12.171 -2.052 -7.470 1127 2HD LYS 151 HD3 LYS 151 12.605 -3.543 -6.624 1128 1HE LYS 151 HE2 LYS 151 12.488 -3.973 -9.019 1129 2HE LYS 151 HE3 LYS 151 11.178 -4.850 -8.214 1130 1HZ LYS 151 HZ2 LYS 151 10.908 -2.262 -9.587 1131 2HZ LYS 151 HZ3 LYS 151 10.470 -3.723 -10.207 1132 3HZ LYS 151 HZ1 LYS 151 9.683 -3.119 -8.895 1133 H ILE 152 H ILE 152 11.087 -1.704 -1.917 1134 HA ILE 152 HA ILE 152 10.489 1.206 -1.678 1135 HB ILE 152 HB ILE 152 10.803 -0.801 0.561 1136 1HG1 ILE 152 HG12 ILE 152 8.251 0.383 -0.565 1137 2HG1 ILE 152 HG13 ILE 152 8.720 -1.328 -0.403 1138 1HG2 ILE 152 HG22 ILE 152 11.553 1.555 1.017 1139 2HG2 ILE 152 HG23 ILE 152 9.890 2.077 0.682 1140 3HG2 ILE 152 HG21 ILE 152 10.259 1.005 2.067 1141 1HD1 ILE 152 HD11 ILE 152 8.715 -1.048 2.082 1142 2HD1 ILE 152 HD12 ILE 152 7.985 0.563 1.845 1143 3HD1 ILE 152 HD13 ILE 152 7.128 -0.887 1.303 1144 H VAL 153 H VAL 153 12.437 2.325 -1.575 1145 HA VAL 153 HA VAL 153 14.928 0.838 -0.850 1146 HB VAL 153 HB VAL 153 14.790 3.300 -2.560 1147 1HG1 VAL 153 HG11 VAL 153 16.955 2.684 -1.402 1148 2HG1 VAL 153 HG12 VAL 153 16.923 1.109 -2.182 1149 3HG1 VAL 153 HG13 VAL 153 17.119 2.579 -3.163 1150 1HG2 VAL 153 HG21 VAL 153 14.847 0.384 -3.513 1151 2HG2 VAL 153 HG22 VAL 153 13.611 1.600 -3.903 1152 3HG2 VAL 153 HG23 VAL 153 15.245 1.756 -4.559 1153 H VAL 154 H VAL 154 16.033 1.846 0.829 1154 HA VAL 154 HA VAL 154 14.821 4.367 1.904 1155 HB VAL 154 HB VAL 154 15.778 1.950 3.469 1156 1HG1 VAL 154 HG13 VAL 154 15.904 4.187 4.601 1157 2HG1 VAL 154 HG11 VAL 154 14.182 4.433 4.266 1158 3HG1 VAL 154 HG12 VAL 154 14.703 3.132 5.354 1159 1HG2 VAL 154 HG21 VAL 154 12.926 2.837 2.844 1160 2HG2 VAL 154 HG22 VAL 154 13.713 1.370 2.216 1161 3HG2 VAL 154 HG23 VAL 154 13.406 1.526 3.929 1162 H LYS 155 H LYS 155 16.375 5.977 2.049 1163 HA LYS 155 HA LYS 155 19.240 5.171 2.366 1164 1HB LYS 155 HB2 LYS 155 18.210 6.981 0.153 1165 2HB LYS 155 HB3 LYS 155 19.903 6.560 0.494 1166 1HG LYS 155 HG2 LYS 155 19.409 4.178 0.002 1167 2HG LYS 155 HG3 LYS 155 17.743 4.604 -0.418 1168 1HD LYS 155 HD2 LYS 155 20.176 5.737 -1.855 1169 2HD LYS 155 HD3 LYS 155 19.277 4.302 -2.372 1170 1HE LYS 155 HE2 LYS 155 17.180 5.677 -2.510 1171 2HE LYS 155 HE3 LYS 155 18.133 7.124 -2.130 1172 1HZ LYS 155 HZ2 LYS 155 18.525 5.372 -4.447 1173 2HZ LYS 155 HZ3 LYS 155 17.815 6.857 -4.459 1174 3HZ LYS 155 HZ1 LYS 155 19.417 6.714 -4.097 No H/Q in entry = 1174 Start of MODEL 7 1 H GLY 1 H GLY 1 2.806 -11.291 12.445 2 1HA GLY 1 HA2 GLY 1 0.688 -12.803 12.093 3 2HA GLY 1 HA3 GLY 1 0.866 -13.045 13.843 4 H THR 2 H THR 2 1.560 -10.613 14.847 5 HA THR 2 HA THR 2 -0.858 -8.999 14.542 6 HB THR 2 HB THR 2 0.308 -7.614 16.273 7 HG1 THR 2 HG1 THR 2 2.415 -8.135 15.607 8 1HG2 THR 2 HG23 THR 2 -1.163 -9.496 16.953 9 2HG2 THR 2 HG21 THR 2 0.223 -10.607 16.900 10 3HG2 THR 2 HG22 THR 2 0.194 -9.282 18.076 11 H LEU 3 H LEU 3 -0.306 -8.820 12.172 12 HA LEU 3 HA LEU 3 1.719 -7.150 11.133 13 1HB LEU 3 HB2 LEU 3 -0.976 -8.126 10.274 14 2HB LEU 3 HB3 LEU 3 -0.409 -6.731 9.413 15 HG LEU 3 HG LEU 3 1.732 -7.931 8.896 16 1HD1 LEU 3 HD11 LEU 3 0.318 -10.294 10.176 17 2HD1 LEU 3 HD12 LEU 3 1.819 -10.386 9.228 18 3HD1 LEU 3 HD13 LEU 3 1.813 -9.519 10.769 19 1HD2 LEU 3 HD21 LEU 3 -0.146 -7.962 7.298 20 2HD2 LEU 3 HD22 LEU 3 0.783 -9.472 7.247 21 3HD2 LEU 3 HD23 LEU 3 -0.786 -9.431 8.071 22 H ASP 4 H ASP 4 -1.615 -5.938 11.187 23 HA ASP 4 HA ASP 4 -1.300 -3.859 13.028 24 1HB ASP 4 HB2 ASP 4 0.228 -2.903 11.188 25 2HB ASP 4 HB3 ASP 4 -1.187 -2.863 10.136 26 HD1 ASP 4 HD ASP 4 -2.613 -0.253 12.089 27 H THR 5 H THR 5 -3.416 -3.009 13.347 28 HA THR 5 HA THR 5 -5.519 -3.772 11.407 29 HB THR 5 HB THR 5 -6.896 -4.656 13.229 30 HG1 THR 5 HG1 THR 5 -6.054 -3.532 14.947 31 1HG2 THR 5 HG21 THR 5 -5.378 -6.240 11.998 32 2HG2 THR 5 HG22 THR 5 -4.179 -6.044 13.302 33 3HG2 THR 5 HG23 THR 5 -5.762 -6.742 13.656 34 H THR 6 H THR 6 -4.323 -1.188 11.787 35 HA THR 6 HA THR 6 -6.137 0.348 13.498 36 HB THR 6 HB THR 6 -4.134 1.475 11.474 37 HG1 THR 6 HG1 THR 6 -3.736 0.730 14.171 38 1HG2 THR 6 HG21 THR 6 -5.314 2.501 14.098 39 2HG2 THR 6 HG22 THR 6 -4.140 3.349 13.062 40 3HG2 THR 6 HG23 THR 6 -5.792 3.050 12.484 41 H TRP 7 H TRP 7 -7.890 -0.831 12.334 42 HA TRP 7 HA TRP 7 -8.564 -0.152 9.586 43 1HB TRP 7 HB2 TRP 7 -10.171 -1.441 11.853 44 2HB TRP 7 HB3 TRP 7 -10.611 -1.479 10.159 45 HD1 TRP 7 HD1 TRP 7 -10.528 -4.065 11.708 46 HE1 TRP 7 HE1 TRP 7 -9.038 -5.997 10.969 47 HE3 TRP 7 HE3 TRP 7 -6.812 -1.423 9.365 48 HZ2 TRP 7 HZ2 TRP 7 -6.616 -6.351 9.404 49 HZ3 TRP 7 HZ3 TRP 7 -5.144 -2.606 7.982 50 HH2 TRP 7 HH2 TRP 7 -5.044 -5.089 8.020 51 H LYS 8 H LYS 8 -9.646 1.675 8.919 52 HA LYS 8 HA LYS 8 -11.834 2.762 10.570 53 1HB LYS 8 HB2 LYS 8 -9.579 4.378 9.309 54 2HB LYS 8 HB3 LYS 8 -10.998 5.083 10.096 55 1HG LYS 8 HG2 LYS 8 -8.841 3.443 11.498 56 2HG LYS 8 HG3 LYS 8 -8.908 5.202 11.423 57 1HD LYS 8 HD2 LYS 8 -10.998 5.275 12.671 58 2HD LYS 8 HD3 LYS 8 -11.157 3.515 12.608 59 1HE LYS 8 HE2 LYS 8 -10.355 4.190 14.803 60 2HE LYS 8 HE3 LYS 8 -9.143 3.213 13.961 61 1HZ LYS 8 HZ2 LYS 8 -9.138 6.147 14.167 62 2HZ LYS 8 HZ3 LYS 8 -8.186 5.119 15.034 63 3HZ LYS 8 HZ1 LYS 8 -7.996 5.237 13.402 64 H GLU 9 H GLU 9 -13.001 4.495 9.030 65 HA GLU 9 HA GLU 9 -12.502 3.914 6.244 66 1HB GLU 9 HB2 GLU 9 -15.408 3.819 7.036 67 2HB GLU 9 HB3 GLU 9 -14.613 3.355 5.530 68 1HG GLU 9 HG2 GLU 9 -15.343 1.327 6.622 69 2HG GLU 9 HG3 GLU 9 -13.592 1.364 6.834 70 HE2 GLU 9 HE GLU 9 -14.094 0.821 10.178 71 H ALA 10 H ALA 10 -13.225 5.491 4.881 72 HA ALA 10 HA ALA 10 -14.284 8.050 6.021 73 1HB ALA 10 HB3 ALA 10 -11.811 8.139 5.381 74 2HB ALA 10 HB1 ALA 10 -12.286 7.697 3.725 75 3HB ALA 10 HB2 ALA 10 -12.860 9.215 4.482 76 H THR 11 H THR 11 -14.525 9.110 3.232 77 HA THR 11 HA THR 11 -16.130 7.079 1.855 78 HB THR 11 HB THR 11 -17.972 8.549 1.420 79 HG1 THR 11 HG1 THR 11 -16.401 10.482 2.807 80 1HG2 THR 11 HG22 THR 11 -18.091 7.401 3.613 81 2HG2 THR 11 HG23 THR 11 -17.371 8.825 4.397 82 3HG2 THR 11 HG21 THR 11 -18.943 8.953 3.592 83 H LEU 12 H LEU 12 -16.632 7.926 -0.421 84 HA LEU 12 HA LEU 12 -14.445 7.936 -1.893 85 1HB LEU 12 HB2 LEU 12 -16.719 7.778 -2.732 86 2HB LEU 12 HB3 LEU 12 -16.919 9.517 -2.676 87 HG LEU 12 HG LEU 12 -14.524 8.483 -4.179 88 1HD1 LEU 12 HD11 LEU 12 -17.368 8.213 -5.240 89 2HD1 LEU 12 HD12 LEU 12 -15.881 7.983 -6.183 90 3HD1 LEU 12 HD13 LEU 12 -16.261 6.877 -4.855 91 1HD2 LEU 12 HD22 LEU 12 -16.611 10.622 -4.810 92 2HD2 LEU 12 HD23 LEU 12 -14.997 10.924 -4.137 93 3HD2 LEU 12 HD21 LEU 12 -15.161 10.270 -5.767 94 HA PRO 13 HA PRO 13 -13.750 12.626 -2.465 95 1HB PRO 13 HB2 PRO 13 -14.499 14.318 -0.347 96 2HB PRO 13 HB3 PRO 13 -15.397 14.077 -1.871 97 1HG PRO 13 HG2 PRO 13 -15.826 12.659 0.772 98 2HG PRO 13 HG3 PRO 13 -17.060 13.406 -0.284 99 1HD PRO 13 HD2 PRO 13 -16.667 10.781 -0.367 100 2HD PRO 13 HD3 PRO 13 -16.797 11.668 -1.907 101 H GLN 14 H GLN 14 -13.568 11.076 0.773 102 HA GLN 14 HA GLN 14 -11.182 12.551 1.532 103 1HB GLN 14 HB2 GLN 14 -12.303 9.950 2.552 104 2HB GLN 14 HB3 GLN 14 -10.829 10.732 3.143 105 1HG GLN 14 HG2 GLN 14 -12.453 11.449 4.678 106 2HG GLN 14 HG3 GLN 14 -12.070 12.827 3.659 107 1HE2 GLN 14 HE21 GLN 14 -15.492 13.279 2.882 108 2HE2 GLN 14 HE22 GLN 14 -13.890 13.974 3.016 109 H VAL 15 H VAL 15 -11.855 9.685 -0.475 110 HA VAL 15 HA VAL 15 -9.194 8.608 -0.449 111 HB VAL 15 HB VAL 15 -11.140 8.631 -2.791 112 1HG1 VAL 15 HG11 VAL 15 -8.784 6.839 -2.096 113 2HG1 VAL 15 HG12 VAL 15 -9.958 6.537 -3.397 114 3HG1 VAL 15 HG13 VAL 15 -8.916 7.958 -3.466 115 1HG2 VAL 15 HG21 VAL 15 -10.868 6.633 -0.502 116 2HG2 VAL 15 HG22 VAL 15 -12.265 7.684 -0.788 117 3HG2 VAL 15 HG23 VAL 15 -11.859 6.439 -1.969 118 H LYS 16 H LYS 16 -10.778 11.076 -2.492 119 HA LYS 16 HA LYS 16 -8.479 11.780 -4.046 120 1HB LYS 16 HB2 LYS 16 -10.856 13.513 -3.244 121 2HB LYS 16 HB3 LYS 16 -9.633 13.882 -4.467 122 1HG LYS 16 HG2 LYS 16 -10.304 11.898 -5.781 123 2HG LYS 16 HG3 LYS 16 -11.492 11.463 -4.553 124 1HD LYS 16 HD2 LYS 16 -12.576 12.580 -6.443 125 2HD LYS 16 HD3 LYS 16 -12.777 13.489 -4.943 126 1HE LYS 16 HE2 LYS 16 -12.310 14.946 -6.898 127 2HE LYS 16 HE3 LYS 16 -11.099 15.130 -5.631 128 1HZ LYS 16 HZ3 LYS 16 -10.800 13.496 -8.058 129 2HZ LYS 16 HZ1 LYS 16 -10.123 14.976 -7.800 130 3HZ LYS 16 HZ2 LYS 16 -9.659 13.690 -6.883 131 H ALA 17 H ALA 17 -9.838 13.198 -1.017 132 HA ALA 17 HA ALA 17 -7.939 15.168 -0.597 133 1HB ALA 17 HB1 ALA 17 -9.980 14.782 0.789 134 2HB ALA 17 HB2 ALA 17 -9.117 13.467 1.629 135 3HB ALA 17 HB3 ALA 17 -8.514 15.127 1.731 136 H MET 18 H MET 18 -7.639 11.743 0.587 137 HA MET 18 HA MET 18 -4.995 12.133 1.602 138 1HB MET 18 HB2 MET 18 -6.511 9.636 0.785 139 2HB MET 18 HB3 MET 18 -4.807 9.608 1.237 140 1HG MET 18 HG2 MET 18 -5.785 9.126 3.245 141 2HG MET 18 HG3 MET 18 -5.415 10.835 3.388 142 1HE MET 18 HE1 MET 18 -7.976 7.999 3.306 143 2HE MET 18 HE2 MET 18 -9.538 8.812 3.095 144 3HE MET 18 HE3 MET 18 -8.373 8.769 1.754 145 H LEU 19 H LEU 19 -6.083 10.829 -1.605 146 HA LEU 19 HA LEU 19 -3.509 10.308 -2.632 147 1HB LEU 19 HB2 LEU 19 -6.064 11.210 -3.995 148 2HB LEU 19 HB3 LEU 19 -4.615 10.790 -4.907 149 HG LEU 19 HG LEU 19 -5.905 8.837 -2.961 150 1HD1 LEU 19 HD13 LEU 19 -7.543 9.480 -4.703 151 2HD1 LEU 19 HD11 LEU 19 -6.346 9.135 -5.966 152 3HD1 LEU 19 HD12 LEU 19 -6.968 7.819 -4.949 153 1HD2 LEU 19 HD23 LEU 19 -4.016 8.440 -5.331 154 2HD2 LEU 19 HD21 LEU 19 -3.547 8.325 -3.626 155 3HD2 LEU 19 HD22 LEU 19 -4.688 7.160 -4.302 156 H GLU 20 H GLU 20 -5.266 13.385 -2.566 157 HA GLU 20 HA GLU 20 -3.476 14.901 -4.164 158 1HB GLU 20 HB2 GLU 20 -5.353 15.668 -1.901 159 2HB GLU 20 HB3 GLU 20 -4.465 16.855 -2.860 160 1HG GLU 20 HG2 GLU 20 -5.580 16.258 -4.883 161 2HG GLU 20 HG3 GLU 20 -6.253 14.780 -4.193 162 HE1 GLU 20 HE GLU 20 -7.883 18.179 -2.788 163 H LYS 21 H LYS 21 -2.988 13.675 -0.881 164 HA LYS 21 HA LYS 21 -1.099 15.776 -0.149 165 1HB LYS 21 HB2 LYS 21 -1.611 13.028 1.034 166 2HB LYS 21 HB3 LYS 21 -0.484 14.233 1.684 167 1HG LYS 21 HG2 LYS 21 -2.333 15.836 1.997 168 2HG LYS 21 HG3 LYS 21 -3.464 14.715 1.242 169 1HD LYS 21 HD2 LYS 21 -3.724 14.659 3.659 170 2HD LYS 21 HD3 LYS 21 -3.201 13.097 3.036 171 1HE LYS 21 HE2 LYS 21 -2.052 13.680 5.141 172 2HE LYS 21 HE3 LYS 21 -0.893 13.508 3.823 173 1HZ LYS 21 HZ3 LYS 21 -1.965 16.055 4.824 174 2HZ LYS 21 HZ1 LYS 21 -0.476 15.437 5.163 175 3HZ LYS 21 HZ2 LYS 21 -0.849 15.883 3.623 176 H ASP 22 H ASP 22 -0.648 12.314 -0.868 177 HA ASP 22 HA ASP 22 1.047 11.082 -1.698 178 1HB ASP 22 HB2 ASP 22 0.321 11.790 -3.736 179 2HB ASP 22 HB3 ASP 22 0.926 13.445 -3.551 180 HD2 ASP 22 HD ASP 22 3.910 12.813 -5.050 181 H THR 23 H THR 23 2.555 14.347 -1.642 182 HA THR 23 HA THR 23 4.656 15.031 -1.173 183 HB THR 23 HB THR 23 5.536 14.176 1.071 184 HG1 THR 23 HG1 THR 23 3.969 12.185 0.659 185 1HG2 THR 23 HG21 THR 23 4.105 16.176 0.863 186 2HG2 THR 23 HG22 THR 23 2.653 15.151 0.928 187 3HG2 THR 23 HG23 THR 23 3.734 15.253 2.333 188 H GLY 24 H GLY 24 4.652 13.174 -3.215 189 1HA GLY 24 HA2 GLY 24 7.342 11.845 -2.976 190 2HA GLY 24 HA3 GLY 24 5.889 10.996 -3.482 191 H LYS 25 H LYS 25 8.561 12.582 -4.576 192 HA LYS 25 HA LYS 25 7.547 14.002 -6.906 193 1HB LYS 25 HB2 LYS 25 10.298 13.122 -5.966 194 2HB LYS 25 HB3 LYS 25 10.028 14.147 -7.381 195 1HG LYS 25 HG2 LYS 25 9.432 16.001 -6.109 196 2HG LYS 25 HG3 LYS 25 8.796 15.041 -4.773 197 1HD LYS 25 HD2 LYS 25 10.833 16.162 -4.080 198 2HD LYS 25 HD3 LYS 25 11.027 14.408 -4.034 199 1HE LYS 25 HE2 LYS 25 12.282 14.470 -6.174 200 2HE LYS 25 HE3 LYS 25 12.023 16.221 -6.287 201 1HZ LYS 25 HZ3 LYS 25 13.467 14.852 -4.124 202 2HZ LYS 25 HZ1 LYS 25 14.169 15.648 -5.388 203 3HZ LYS 25 HZ2 LYS 25 13.273 16.477 -4.282 204 H VAL 26 H VAL 26 6.904 12.950 -8.707 205 HA VAL 26 HA VAL 26 7.126 10.127 -9.046 206 HB VAL 26 HB VAL 26 6.234 12.218 -11.069 207 1HG1 VAL 26 HG12 VAL 26 6.551 9.922 -12.018 208 2HG1 VAL 26 HG13 VAL 26 5.516 9.262 -10.739 209 3HG1 VAL 26 HG11 VAL 26 4.846 10.371 -11.952 210 1HG2 VAL 26 HG22 VAL 26 4.963 12.504 -8.937 211 2HG2 VAL 26 HG23 VAL 26 3.967 11.849 -10.226 212 3HG2 VAL 26 HG21 VAL 26 4.579 10.771 -8.954 213 H SER 27 H SER 27 9.441 9.860 -8.925 214 HA SER 27 HA SER 27 11.150 10.899 -11.066 215 1HB SER 27 HB2 SER 27 11.953 8.833 -9.004 216 2HB SER 27 HB3 SER 27 12.934 10.034 -9.824 217 HG SER 27 HG SER 27 10.806 10.773 -8.065 218 H GLY 28 H GLY 28 9.541 9.899 -12.601 219 1HA GLY 28 HA2 GLY 28 9.100 8.343 -14.254 220 2HA GLY 28 HA3 GLY 28 10.592 7.488 -13.818 221 H ASP 29 H ASP 29 10.301 5.491 -12.858 222 HA ASP 29 HA ASP 29 7.613 4.623 -12.086 223 1HB ASP 29 HB2 ASP 29 9.040 3.014 -13.197 224 2HB ASP 29 HB3 ASP 29 10.255 3.159 -11.906 225 HD1 ASP 29 HD ASP 29 6.776 1.275 -11.063 226 H THR 30 H THR 30 10.282 6.184 -10.491 227 HA THR 30 HA THR 30 9.619 4.936 -7.910 228 HB THR 30 HB THR 30 12.009 6.571 -8.752 229 HG1 THR 30 HG1 THR 30 11.891 4.551 -9.724 230 1HG2 THR 30 HG23 THR 30 11.426 5.028 -6.198 231 2HG2 THR 30 HG21 THR 30 12.997 5.684 -6.727 232 3HG2 THR 30 HG22 THR 30 11.651 6.779 -6.341 233 H VAL 31 H VAL 31 8.113 5.998 -6.701 234 HA VAL 31 HA VAL 31 7.790 8.946 -6.943 235 HB VAL 31 HB VAL 31 6.251 6.784 -5.486 236 1HG1 VAL 31 HG13 VAL 31 5.995 9.817 -5.397 237 2HG1 VAL 31 HG11 VAL 31 4.744 8.728 -4.791 238 3HG1 VAL 31 HG12 VAL 31 6.332 8.754 -4.000 239 1HG2 VAL 31 HG22 VAL 31 5.750 7.066 -7.888 240 2HG2 VAL 31 HG23 VAL 31 4.369 7.588 -6.906 241 3HG2 VAL 31 HG21 VAL 31 5.420 8.791 -7.640 242 H THR 32 H THR 32 9.241 10.149 -5.816 243 HA THR 32 HA THR 32 10.896 8.823 -3.725 244 HB THR 32 HB THR 32 11.455 11.136 -5.613 245 HG1 THR 32 HG1 THR 32 12.142 9.653 -6.851 246 1HG2 THR 32 HG21 THR 32 13.222 9.869 -3.483 247 2HG2 THR 32 HG22 THR 32 13.834 10.845 -4.834 248 3HG2 THR 32 HG23 THR 32 12.751 11.570 -3.638 249 H TYR 33 H TYR 33 10.677 9.443 -1.684 250 HA TYR 33 HA TYR 33 9.196 11.897 -1.005 251 1HB TYR 33 HB2 TYR 33 10.387 9.605 0.593 252 2HB TYR 33 HB3 TYR 33 9.699 11.042 1.336 253 HD1 TYR 33 HD2 TYR 33 8.868 8.160 -0.921 254 HD2 TYR 33 HD1 TYR 33 7.350 11.425 1.460 255 HE1 TYR 33 HE2 TYR 33 6.546 7.462 -1.418 256 HE2 TYR 33 HE1 TYR 33 5.051 10.584 1.129 257 HH TYR 33 HH TYR 33 3.721 9.245 -0.144 258 H SER 34 H SER 34 10.133 13.222 0.783 259 HA SER 34 HA SER 34 13.016 13.635 0.850 260 1HB SER 34 HB2 SER 34 11.292 15.726 -0.564 261 2HB SER 34 HB3 SER 34 13.010 15.868 -0.170 262 HG SER 34 HG SER 34 12.788 13.628 -1.519 263 H GLY 35 H GLY 35 11.265 13.022 2.892 264 1HA GLY 35 HA2 GLY 35 11.676 15.101 4.755 265 2HA GLY 35 HA3 GLY 35 9.978 15.125 4.211 266 H LYS 36 H LYS 36 10.412 14.464 6.841 267 HA LYS 36 HA LYS 36 10.737 11.592 7.167 268 1HB LYS 36 HB2 LYS 36 9.902 13.791 9.093 269 2HB LYS 36 HB3 LYS 36 10.168 12.111 9.562 270 1HG LYS 36 HG2 LYS 36 12.317 13.877 8.296 271 2HG LYS 36 HG3 LYS 36 12.078 13.648 10.032 272 1HD LYS 36 HD2 LYS 36 12.455 11.185 9.761 273 2HD LYS 36 HD3 LYS 36 12.759 11.436 8.032 274 1HE LYS 36 HE2 LYS 36 14.865 11.246 9.152 275 2HE LYS 36 HE3 LYS 36 14.681 12.911 8.575 276 1HZ LYS 36 HZ3 LYS 36 14.191 11.986 11.325 277 2HZ LYS 36 HZ1 LYS 36 15.533 12.788 10.806 278 3HZ LYS 36 HZ2 LYS 36 14.071 13.544 10.797 279 H THR 37 H THR 37 7.946 13.803 6.921 280 HA THR 37 HA THR 37 6.062 11.822 7.827 281 HB THR 37 HB THR 37 5.489 14.347 6.228 282 HG1 THR 37 HG1 THR 37 6.042 14.070 8.995 283 1HG2 THR 37 HG22 THR 37 3.984 12.881 8.454 284 2HG2 THR 37 HG23 THR 37 3.468 14.382 7.655 285 3HG2 THR 37 HG21 THR 37 3.556 12.869 6.732 286 H VAL 38 H VAL 38 6.870 10.078 6.398 287 HA VAL 38 HA VAL 38 6.445 10.378 3.510 288 HB VAL 38 HB VAL 38 7.566 8.188 5.253 289 1HG1 VAL 38 HG11 VAL 38 7.081 8.146 2.245 290 2HG1 VAL 38 HG12 VAL 38 8.219 7.092 3.094 291 3HG1 VAL 38 HG13 VAL 38 6.494 6.983 3.440 292 1HG2 VAL 38 HG23 VAL 38 8.937 10.210 4.841 293 2HG2 VAL 38 HG21 VAL 38 9.617 8.799 4.014 294 3HG2 VAL 38 HG22 VAL 38 8.730 10.030 3.106 295 H HIS 39 H HIS 39 4.316 10.893 3.450 296 HA HIS 39 HA HIS 39 2.250 9.039 4.347 297 1HB HIS 39 HB2 HIS 39 2.078 11.533 4.395 298 2HB HIS 39 HB3 HIS 39 2.069 11.548 2.629 299 HD1 HIS 39 HD1 HIS 39 -0.340 11.428 1.629 300 HD2 HIS 39 HD2 HIS 39 0.055 9.745 5.469 301 HE1 HIS 39 HE1 HIS 39 -2.694 10.683 2.349 302 HE2 HIS 39 HE2 HIS 39 -2.413 9.613 4.678 303 H VAL 40 H VAL 40 2.139 7.131 3.210 304 HA VAL 40 HA VAL 40 2.449 7.140 0.227 305 HB VAL 40 HB VAL 40 2.711 4.960 2.317 306 1HG1 VAL 40 HG11 VAL 40 2.952 4.777 -0.717 307 2HG1 VAL 40 HG12 VAL 40 3.420 3.505 0.437 308 3HG1 VAL 40 HG13 VAL 40 1.728 3.970 0.285 309 1HG2 VAL 40 HG22 VAL 40 4.618 6.554 2.159 310 2HG2 VAL 40 HG23 VAL 40 5.043 4.907 1.674 311 3HG2 VAL 40 HG21 VAL 40 4.777 6.152 0.437 312 H VAL 41 H VAL 41 0.474 7.373 -0.776 313 HA VAL 41 HA VAL 41 -1.924 6.359 0.594 314 HB VAL 41 HB VAL 41 -1.900 7.932 -1.971 315 1HG1 VAL 41 HG12 VAL 41 -3.855 7.621 0.339 316 2HG1 VAL 41 HG13 VAL 41 -4.078 8.683 -1.059 317 3HG1 VAL 41 HG11 VAL 41 -4.025 6.926 -1.287 318 1HG2 VAL 41 HG23 VAL 41 -1.675 8.950 0.876 319 2HG2 VAL 41 HG21 VAL 41 -0.509 9.248 -0.433 320 3HG2 VAL 41 HG22 VAL 41 -2.114 9.951 -0.525 321 H ALA 42 H ALA 42 -2.194 4.212 0.295 322 HA ALA 42 HA ALA 42 -1.680 2.950 -2.361 323 1HB ALA 42 HB2 ALA 42 -1.908 1.778 0.428 324 2HB ALA 42 HB3 ALA 42 -1.672 0.850 -1.071 325 3HB ALA 42 HB1 ALA 42 -0.431 1.999 -0.528 326 H ALA 43 H ALA 43 -3.420 3.000 -3.610 327 HA ALA 43 HA ALA 43 -6.158 2.600 -2.562 328 1HB ALA 43 HB3 ALA 43 -5.023 3.461 -5.242 329 2HB ALA 43 HB1 ALA 43 -6.735 3.150 -4.942 330 3HB ALA 43 HB2 ALA 43 -5.905 4.451 -4.065 331 H ALA 44 H ALA 44 -6.682 0.462 -2.328 332 HA ALA 44 HA ALA 44 -5.361 -1.552 -4.098 333 1HB ALA 44 HB3 ALA 44 -5.247 -1.799 -1.631 334 2HB ALA 44 HB1 ALA 44 -6.995 -2.100 -1.634 335 3HB ALA 44 HB2 ALA 44 -5.920 -3.190 -2.512 336 H VAL 45 H VAL 45 -6.463 -1.311 -5.965 337 HA VAL 45 HA VAL 45 -8.023 -1.622 -7.528 338 HB VAL 45 HB VAL 45 -8.813 -3.976 -5.792 339 1HG1 VAL 45 HG12 VAL 45 -10.137 -3.531 -7.934 340 2HG1 VAL 45 HG13 VAL 45 -8.626 -3.716 -8.832 341 3HG1 VAL 45 HG11 VAL 45 -9.279 -5.073 -7.878 342 1HG2 VAL 45 HG22 VAL 45 -6.444 -3.727 -7.692 343 2HG2 VAL 45 HG23 VAL 45 -6.361 -3.939 -5.928 344 3HG2 VAL 45 HG21 VAL 45 -7.020 -5.225 -6.939 345 H LEU 46 H LEU 46 -9.004 0.444 -6.761 346 HA LEU 46 HA LEU 46 -11.350 0.280 -5.101 347 1HB LEU 46 HB2 LEU 46 -10.559 2.543 -6.976 348 2HB LEU 46 HB3 LEU 46 -11.644 2.643 -5.588 349 HG LEU 46 HG LEU 46 -8.643 2.202 -5.577 350 1HD1 LEU 46 HD12 LEU 46 -9.420 4.520 -5.908 351 2HD1 LEU 46 HD13 LEU 46 -10.444 4.398 -4.462 352 3HD1 LEU 46 HD11 LEU 46 -8.680 4.348 -4.305 353 1HD2 LEU 46 HD22 LEU 46 -10.561 2.116 -3.207 354 2HD2 LEU 46 HD23 LEU 46 -9.513 0.795 -3.775 355 3HD2 LEU 46 HD21 LEU 46 -8.792 2.260 -3.108 356 HA PRO 47 HA PRO 47 -14.645 -0.687 -7.947 357 1HB PRO 47 HB2 PRO 47 -15.841 1.924 -6.968 358 2HB PRO 47 HB3 PRO 47 -16.668 0.369 -7.284 359 1HG PRO 47 HG2 PRO 47 -15.965 0.987 -4.745 360 2HG PRO 47 HG3 PRO 47 -15.573 -0.646 -5.370 361 1HD PRO 47 HD2 PRO 47 -13.742 1.736 -5.133 362 2HD PRO 47 HD3 PRO 47 -13.456 0.027 -4.693 363 H GLY 48 H GLY 48 -13.998 -0.528 -9.994 364 1HA GLY 48 HA2 GLY 48 -14.464 1.084 -12.033 365 2HA GLY 48 HA3 GLY 48 -13.178 2.029 -11.238 366 H PHE 49 H PHE 49 -11.569 0.166 -10.133 367 HA PHE 49 HA PHE 49 -10.276 -1.184 -12.424 368 1HB PHE 49 HB2 PHE 49 -9.576 -1.026 -9.466 369 2HB PHE 49 HB3 PHE 49 -8.610 -1.829 -10.693 370 HD1 PHE 49 HD2 PHE 49 -7.493 -0.482 -12.516 371 HD2 PHE 49 HD1 PHE 49 -9.497 1.388 -9.184 372 HE1 PHE 49 HE2 PHE 49 -6.352 1.659 -13.024 373 HE2 PHE 49 HE1 PHE 49 -8.341 3.518 -9.687 374 HZ PHE 49 HZ PHE 49 -6.785 3.668 -11.622 375 HA PRO 50 HA PRO 50 -12.815 -4.706 -10.930 376 1HB PRO 50 HB2 PRO 50 -12.012 -6.632 -12.733 377 2HB PRO 50 HB3 PRO 50 -13.223 -5.370 -13.077 378 1HG PRO 50 HG2 PRO 50 -10.327 -5.417 -13.908 379 2HG PRO 50 HG3 PRO 50 -11.744 -4.872 -14.830 380 1HD PRO 50 HD2 PRO 50 -10.030 -3.162 -13.497 381 2HD PRO 50 HD3 PRO 50 -11.755 -2.785 -13.785 382 H PHE 51 H PHE 51 -9.513 -5.419 -12.107 383 HA PHE 51 HA PHE 51 -8.255 -6.009 -9.639 384 1HB PHE 51 HB2 PHE 51 -9.280 -8.270 -11.422 385 2HB PHE 51 HB3 PHE 51 -7.850 -8.503 -10.455 386 HD1 PHE 51 HD1 PHE 51 -8.165 -7.713 -7.831 387 HD2 PHE 51 HD2 PHE 51 -11.255 -9.164 -10.480 388 HE1 PHE 51 HE1 PHE 51 -9.499 -8.475 -5.886 389 HE2 PHE 51 HE2 PHE 51 -12.562 -9.922 -8.519 390 HZ PHE 51 HZ PHE 51 -11.675 -9.570 -6.219 391 HA PRO 52 HA PRO 52 -6.408 -7.231 -9.271 392 1HB PRO 52 HB2 PRO 52 -4.123 -8.538 -9.577 393 2HB PRO 52 HB3 PRO 52 -5.533 -9.063 -10.535 394 1HG PRO 52 HG2 PRO 52 -3.219 -7.325 -11.440 395 2HG PRO 52 HG3 PRO 52 -3.951 -8.713 -12.283 396 1HD PRO 52 HD2 PRO 52 -4.646 -6.018 -12.742 397 2HD PRO 52 HD3 PRO 52 -5.678 -7.415 -13.107 398 H SER 53 H SER 53 -4.236 -4.994 -10.991 399 HA SER 53 HA SER 53 -2.206 -5.069 -9.127 400 1HB SER 53 HB2 SER 53 -1.562 -2.866 -10.455 401 2HB SER 53 HB3 SER 53 -1.678 -4.402 -11.332 402 HG SER 53 HG SER 53 -3.961 -2.778 -10.987 403 H PHE 54 H PHE 54 -1.337 -3.640 -7.605 404 HA PHE 54 HA PHE 54 -3.183 -1.994 -6.055 405 1HB PHE 54 HB2 PHE 54 -0.136 -2.329 -6.081 406 2HB PHE 54 HB3 PHE 54 -0.880 -1.052 -5.158 407 HD1 PHE 54 HD2 PHE 54 -3.092 -1.950 -3.731 408 HD2 PHE 54 HD1 PHE 54 0.810 -3.646 -4.332 409 HE1 PHE 54 HE2 PHE 54 -3.342 -3.276 -1.648 410 HE2 PHE 54 HE1 PHE 54 0.611 -4.872 -2.193 411 HZ PHE 54 HZ PHE 54 -1.492 -4.723 -0.862 412 H GLU 55 H GLU 55 -3.588 0.195 -6.271 413 HA GLU 55 HA GLU 55 -1.912 1.683 -8.219 414 1HB GLU 55 HB2 GLU 55 -4.463 2.891 -7.382 415 2HB GLU 55 HB3 GLU 55 -3.487 2.876 -8.872 416 1HG GLU 55 HG2 GLU 55 -5.479 1.807 -9.472 417 2HG GLU 55 HG3 GLU 55 -4.310 0.501 -9.298 418 HE2 GLU 55 HE GLU 55 -4.928 -1.114 -7.930 419 H VAL 56 H VAL 56 -0.666 3.401 -7.356 420 HA VAL 56 HA VAL 56 -1.153 4.049 -4.482 421 HB VAL 56 HB VAL 56 1.604 3.343 -5.432 422 1HG1 VAL 56 HG13 VAL 56 1.319 4.798 -3.393 423 2HG1 VAL 56 HG11 VAL 56 0.503 3.444 -2.607 424 3HG1 VAL 56 HG12 VAL 56 2.192 3.285 -3.110 425 1HG2 VAL 56 HG23 VAL 56 -0.327 1.478 -3.991 426 2HG2 VAL 56 HG21 VAL 56 0.385 1.226 -5.604 427 3HG2 VAL 56 HG22 VAL 56 1.415 1.197 -4.171 428 H HIS 57 H HIS 57 -1.120 6.135 -4.232 429 HA HIS 57 HA HIS 57 -1.385 8.269 -5.293 430 1HB HIS 57 HB2 HIS 57 0.594 9.495 -4.400 431 2HB HIS 57 HB3 HIS 57 -0.290 8.501 -3.261 432 HD1 HIS 57 HD1 HIS 57 2.251 6.758 -5.477 433 HD2 HIS 57 HD2 HIS 57 1.930 8.576 -1.702 434 HE1 HIS 57 HE1 HIS 57 4.320 5.993 -4.111 435 HE2 HIS 57 HE2 HIS 57 4.106 7.189 -1.820 436 H ASP 58 H ASP 58 -1.514 8.681 -7.414 437 HA ASP 58 HA ASP 58 -0.906 9.540 -9.394 438 1HB ASP 58 HB2 ASP 58 0.835 10.884 -8.348 439 2HB ASP 58 HB3 ASP 58 1.994 9.554 -8.543 440 HD1 ASP 58 HD ASP 58 0.830 11.558 -11.800 441 H LYS 59 H LYS 59 0.806 6.656 -8.268 442 HA LYS 59 HA LYS 59 1.106 5.714 -11.094 443 1HB LYS 59 HB2 LYS 59 2.740 5.513 -8.553 444 2HB LYS 59 HB3 LYS 59 3.071 4.478 -9.932 445 1HG LYS 59 HG2 LYS 59 2.948 7.497 -10.244 446 2HG LYS 59 HG3 LYS 59 4.395 6.728 -9.637 447 1HD LYS 59 HD2 LYS 59 3.146 5.845 -12.282 448 2HD LYS 59 HD3 LYS 59 4.222 7.232 -12.136 449 1HE LYS 59 HE2 LYS 59 5.671 5.554 -12.715 450 2HE LYS 59 HE3 LYS 59 5.910 5.708 -10.958 451 1HZ LYS 59 HZ2 LYS 59 4.245 3.663 -12.281 452 2HZ LYS 59 HZ3 LYS 59 5.794 3.422 -11.774 453 3HZ LYS 59 HZ1 LYS 59 4.623 3.735 -10.676 454 H LYS 60 H LYS 60 1.758 3.239 -10.807 455 HA LYS 60 HA LYS 60 -0.075 1.768 -9.043 456 1HB LYS 60 HB2 LYS 60 0.304 1.459 -12.028 457 2HB LYS 60 HB3 LYS 60 -0.470 0.216 -11.022 458 1HG LYS 60 HG2 LYS 60 -2.336 1.686 -10.546 459 2HG LYS 60 HG3 LYS 60 -1.509 3.080 -11.236 460 1HD LYS 60 HD2 LYS 60 -3.214 2.288 -12.778 461 2HD LYS 60 HD3 LYS 60 -1.600 2.149 -13.477 462 1HE LYS 60 HE2 LYS 60 -2.978 0.170 -13.994 463 2HE LYS 60 HE3 LYS 60 -1.571 -0.278 -13.027 464 1HZ LYS 60 HZ1 LYS 60 -2.997 -0.255 -11.094 465 2HZ LYS 60 HZ2 LYS 60 -4.311 0.100 -12.030 466 3HZ LYS 60 HZ3 LYS 60 -3.511 -1.337 -12.218 467 H ASN 61 H ASN 61 1.027 0.311 -7.983 468 HA ASN 61 HA ASN 61 2.933 -0.581 -7.055 469 1HB ASN 61 HB2 ASN 61 3.208 -1.565 -9.912 470 2HB ASN 61 HB3 ASN 61 4.126 -2.180 -8.560 471 1HD2 ASN 61 HD22 ASN 61 0.211 -3.275 -8.590 472 2HD2 ASN 61 HD21 ASN 61 0.398 -1.516 -8.724 473 HA PRO 62 HA PRO 62 5.939 2.554 -9.008 474 1HB PRO 62 HB2 PRO 62 5.977 4.502 -7.086 475 2HB PRO 62 HB3 PRO 62 4.803 4.502 -8.420 476 1HG PRO 62 HG2 PRO 62 4.429 3.412 -5.599 477 2HG PRO 62 HG3 PRO 62 3.355 4.546 -6.466 478 1HD PRO 62 HD2 PRO 62 2.854 1.851 -6.415 479 2HD PRO 62 HD3 PRO 62 2.572 2.824 -7.886 480 H THR 63 H THR 63 8.028 2.965 -8.155 481 HA THR 63 HA THR 63 8.801 1.223 -5.863 482 HB THR 63 HB THR 63 10.416 2.785 -7.931 483 HG1 THR 63 HG1 THR 63 9.590 0.944 -8.775 484 1HG2 THR 63 HG23 THR 63 11.199 1.166 -5.506 485 2HG2 THR 63 HG21 THR 63 12.316 1.440 -6.872 486 3HG2 THR 63 HG22 THR 63 11.726 2.813 -5.927 487 H LEU 64 H LEU 64 9.604 2.209 -3.916 488 HA LEU 64 HA LEU 64 8.936 5.122 -3.615 489 1HB LEU 64 HB2 LEU 64 8.596 2.709 -1.859 490 2HB LEU 64 HB3 LEU 64 8.901 4.288 -1.133 491 HG LEU 64 HG LEU 64 6.968 5.270 -2.210 492 1HD1 LEU 64 HD13 LEU 64 6.578 2.520 -3.445 493 2HD1 LEU 64 HD11 LEU 64 5.257 3.692 -3.265 494 3HD1 LEU 64 HD12 LEU 64 6.650 4.095 -4.266 495 1HD2 LEU 64 HD23 LEU 64 6.772 4.191 0.003 496 2HD2 LEU 64 HD21 LEU 64 5.269 4.053 -0.926 497 3HD2 LEU 64 HD22 LEU 64 6.347 2.649 -0.779 498 H GLU 65 H GLU 65 10.646 6.435 -3.323 499 HA GLU 65 HA GLU 65 13.169 5.296 -2.127 500 1HB GLU 65 HB2 GLU 65 12.681 7.579 -4.003 501 2HB GLU 65 HB3 GLU 65 13.994 7.710 -2.815 502 1HG GLU 65 HG2 GLU 65 14.979 5.621 -3.564 503 2HG GLU 65 HG3 GLU 65 13.694 5.358 -4.725 504 HE1 GLU 65 HE GLU 65 13.606 8.121 -5.727 505 H ILE 66 H ILE 66 13.349 5.570 -0.037 506 HA ILE 66 HA ILE 66 11.759 7.695 1.315 507 HB ILE 66 HB ILE 66 12.298 4.794 1.926 508 1HG1 ILE 66 HG12 ILE 66 9.811 6.480 1.457 509 2HG1 ILE 66 HG13 ILE 66 10.446 5.139 0.495 510 1HG2 ILE 66 HG22 ILE 66 12.687 6.056 4.053 511 2HG2 ILE 66 HG23 ILE 66 11.118 6.864 3.841 512 3HG2 ILE 66 HG21 ILE 66 11.215 5.118 4.139 513 1HD1 ILE 66 HD11 ILE 66 10.054 3.652 2.540 514 2HD1 ILE 66 HD12 ILE 66 9.122 4.991 3.216 515 3HD1 ILE 66 HD13 ILE 66 8.604 4.255 1.698 516 HA PRO 67 HA PRO 67 15.823 8.632 3.099 517 1HB PRO 67 HB2 PRO 67 15.128 10.661 4.775 518 2HB PRO 67 HB3 PRO 67 15.259 10.854 3.004 519 1HG PRO 67 HG2 PRO 67 12.768 10.461 4.643 520 2HG PRO 67 HG3 PRO 67 13.029 11.590 3.292 521 1HD PRO 67 HD2 PRO 67 11.778 9.149 3.026 522 2HD PRO 67 HD3 PRO 67 12.710 9.902 1.698 523 H ALA 68 H ALA 68 16.566 7.162 4.530 524 HA ALA 68 HA ALA 68 15.100 5.609 6.293 525 1HB ALA 68 HB1 ALA 68 17.395 5.093 5.548 526 2HB ALA 68 HB2 ALA 68 18.023 6.441 6.521 527 3HB ALA 68 HB3 ALA 68 17.278 5.037 7.319 528 H GLY 69 H GLY 69 14.415 5.734 8.385 529 1HA GLY 69 HA2 GLY 69 14.279 6.611 10.565 530 2HA GLY 69 HA3 GLY 69 15.085 8.099 10.066 531 H ALA 70 H ALA 70 13.047 7.847 7.542 532 HA ALA 70 HA ALA 70 11.110 9.662 8.469 533 1HB ALA 70 HB3 ALA 70 11.047 7.640 6.194 534 2HB ALA 70 HB1 ALA 70 9.846 8.919 6.436 535 3HB ALA 70 HB2 ALA 70 11.533 9.353 6.106 536 H THR 71 H THR 71 8.857 9.442 8.724 537 HA THR 71 HA THR 71 7.961 6.970 10.130 538 HB THR 71 HB THR 71 6.790 9.786 9.998 539 HG1 THR 71 HG1 THR 71 8.720 9.410 11.274 540 1HG2 THR 71 HG23 THR 71 5.894 7.247 11.438 541 2HG2 THR 71 HG21 THR 71 5.294 8.879 11.822 542 3HG2 THR 71 HG22 THR 71 4.996 8.178 10.223 543 H VAL 72 H VAL 72 7.255 5.574 8.611 544 HA VAL 72 HA VAL 72 6.220 6.527 6.026 545 HB VAL 72 HB VAL 72 6.901 3.725 6.999 546 1HG1 VAL 72 HG11 VAL 72 5.262 3.819 5.099 547 2HG1 VAL 72 HG12 VAL 72 6.373 4.858 4.202 548 3HG1 VAL 72 HG13 VAL 72 6.833 3.188 4.582 549 1HG2 VAL 72 HG22 VAL 72 8.437 5.730 5.274 550 2HG2 VAL 72 HG23 VAL 72 8.905 5.216 6.892 551 3HG2 VAL 72 HG21 VAL 72 8.911 4.042 5.565 552 H ASP 73 H ASP 73 4.224 7.295 6.389 553 HA ASP 73 HA ASP 73 2.189 5.715 7.891 554 1HB ASP 73 HB2 ASP 73 2.293 8.512 6.775 555 2HB ASP 73 HB3 ASP 73 0.733 7.682 6.875 556 HD1 ASP 73 HD ASP 73 0.727 7.249 10.295 557 H VAL 74 H VAL 74 1.964 3.865 6.741 558 HA VAL 74 HA VAL 74 1.476 3.999 3.832 559 HB VAL 74 HB VAL 74 1.267 1.649 5.714 560 1HG1 VAL 74 HG11 VAL 74 1.463 1.888 2.662 561 2HG1 VAL 74 HG12 VAL 74 1.459 0.366 3.565 562 3HG1 VAL 74 HG13 VAL 74 0.015 1.393 3.560 563 1HG2 VAL 74 HG22 VAL 74 3.580 2.572 3.981 564 2HG2 VAL 74 HG23 VAL 74 3.547 2.446 5.762 565 3HG2 VAL 74 HG21 VAL 74 3.466 0.990 4.777 566 H THR 75 H THR 75 -0.245 5.252 3.580 567 HA THR 75 HA THR 75 -2.726 4.962 5.126 568 HB THR 75 HB THR 75 -1.845 6.824 2.895 569 HG1 THR 75 HG1 THR 75 -2.196 7.251 5.674 570 1HG2 THR 75 HG23 THR 75 -4.348 6.871 4.638 571 2HG2 THR 75 HG21 THR 75 -3.776 8.190 3.591 572 3HG2 THR 75 HG22 THR 75 -4.292 6.656 2.878 573 H PHE 76 H PHE 76 -3.569 2.964 4.550 574 HA PHE 76 HA PHE 76 -3.869 2.239 1.730 575 1HB PHE 76 HB2 PHE 76 -4.939 1.191 4.353 576 2HB PHE 76 HB3 PHE 76 -5.794 0.733 2.918 577 HD1 PHE 76 HD1 PHE 76 -3.758 0.233 0.891 578 HD2 PHE 76 HD2 PHE 76 -4.168 -1.014 4.997 579 HE1 PHE 76 HE1 PHE 76 -3.945 -2.082 0.170 580 HE2 PHE 76 HE2 PHE 76 -4.307 -3.363 4.252 581 HZ PHE 76 HZ PHE 76 -4.377 -3.879 1.802 582 H ILE 77 H ILE 77 -5.707 2.142 0.583 583 HA ILE 77 HA ILE 77 -8.308 2.915 1.701 584 HB ILE 77 HB ILE 77 -7.282 4.036 -0.947 585 1HG1 ILE 77 HG12 ILE 77 -8.586 6.068 0.372 586 2HG1 ILE 77 HG13 ILE 77 -7.956 5.211 1.759 587 1HG2 ILE 77 HG23 ILE 77 -9.619 3.040 -1.056 588 2HG2 ILE 77 HG21 ILE 77 -10.057 4.083 0.305 589 3HG2 ILE 77 HG22 ILE 77 -9.592 4.782 -1.266 590 1HD1 ILE 77 HD12 ILE 77 -5.638 5.380 0.721 591 2HD1 ILE 77 HD13 ILE 77 -6.371 6.286 -0.625 592 3HD1 ILE 77 HD11 ILE 77 -6.390 6.963 1.015 593 H ASN 78 H ASN 78 -8.624 0.671 1.868 594 HA ASN 78 HA ASN 78 -8.520 -0.852 -0.715 595 1HB ASN 78 HB2 ASN 78 -7.040 -2.087 0.628 596 2HB ASN 78 HB3 ASN 78 -8.017 -1.997 2.066 597 1HD2 ASN 78 HD21 ASN 78 -9.281 -5.194 1.025 598 2HD2 ASN 78 HD22 ASN 78 -8.263 -4.363 2.225 599 H THR 79 H THR 79 -10.438 -0.861 -1.551 600 HA THR 79 HA THR 79 -12.802 -1.444 0.106 601 HB THR 79 HB THR 79 -12.570 1.110 -1.540 602 HG1 THR 79 HG1 THR 79 -11.947 0.510 0.951 603 1HG2 THR 79 HG21 THR 79 -14.935 0.008 0.023 604 2HG2 THR 79 HG22 THR 79 -14.785 1.668 -0.584 605 3HG2 THR 79 HG23 THR 79 -14.902 0.338 -1.719 606 H ASN 80 H ASN 80 -11.178 -2.991 -1.633 607 HA ASN 80 HA ASN 80 -12.605 -3.190 -4.187 608 1HB ASN 80 HB2 ASN 80 -10.179 -3.734 -3.912 609 2HB ASN 80 HB3 ASN 80 -10.634 -5.074 -2.864 610 1HD2 ASN 80 HD22 ASN 80 -11.595 -5.286 -6.917 611 2HD2 ASN 80 HD21 ASN 80 -11.528 -3.723 -6.102 612 H LYS 81 H LYS 81 -14.601 -3.175 -2.774 613 HA LYS 81 HA LYS 81 -16.211 -4.218 -1.462 614 1HB LYS 81 HB2 LYS 81 -16.364 -5.574 -4.186 615 2HB LYS 81 HB3 LYS 81 -17.705 -5.270 -3.070 616 1HG LYS 81 HG2 LYS 81 -17.143 -2.775 -3.283 617 2HG LYS 81 HG3 LYS 81 -16.042 -3.229 -4.603 618 1HD LYS 81 HD2 LYS 81 -17.980 -4.406 -5.731 619 2HD LYS 81 HD3 LYS 81 -19.052 -3.736 -4.488 620 1HE LYS 81 HE2 LYS 81 -17.368 -2.162 -6.495 621 2HE LYS 81 HE3 LYS 81 -19.126 -2.368 -6.517 622 1HZ LYS 81 HZ2 LYS 81 -19.203 -1.218 -4.393 623 2HZ LYS 81 HZ3 LYS 81 -17.579 -0.965 -4.457 624 3HZ LYS 81 HZ1 LYS 81 -18.557 -0.279 -5.590 625 H GLY 82 H GLY 82 -15.108 -5.464 0.174 626 1HA GLY 82 HA2 GLY 82 -15.402 -7.426 1.395 627 2HA GLY 82 HA3 GLY 82 -15.716 -8.352 -0.067 628 H PHE 83 H PHE 83 -13.129 -7.254 -1.379 629 HA PHE 83 HA PHE 83 -11.519 -9.473 -0.382 630 1HB PHE 83 HB2 PHE 83 -11.095 -7.423 -2.556 631 2HB PHE 83 HB3 PHE 83 -9.886 -8.605 -2.114 632 HD1 PHE 83 HD2 PHE 83 -13.396 -8.278 -3.408 633 HD2 PHE 83 HD1 PHE 83 -10.009 -10.893 -2.818 634 HE1 PHE 83 HE2 PHE 83 -14.548 -10.060 -4.665 635 HE2 PHE 83 HE1 PHE 83 -11.147 -12.649 -4.142 636 HZ PHE 83 HZ PHE 83 -13.423 -12.247 -5.055 637 H GLY 84 H GLY 84 -10.850 -9.059 1.678 638 1HA GLY 84 HA2 GLY 84 -9.544 -6.683 2.662 639 2HA GLY 84 HA3 GLY 84 -9.519 -8.293 3.357 640 H HIS 85 H HIS 85 -8.258 -6.779 0.345 641 HA HIS 85 HA HIS 85 -6.383 -8.368 -0.439 642 1HB HIS 85 HB2 HIS 85 -6.332 -5.368 -0.349 643 2HB HIS 85 HB3 HIS 85 -4.954 -6.244 -1.014 644 HD2 HIS 85 HD2 HIS 85 -8.531 -5.312 -1.829 645 HE1 HIS 85 HE1 HIS 85 -7.291 -7.843 -5.002 646 HE2 HIS 85 HE2 HIS 85 -9.151 -6.347 -4.159 647 H SER 86 H SER 86 -5.560 -6.136 2.198 648 HA SER 86 HA SER 86 -3.979 -6.212 3.795 649 1HB SER 86 HB2 SER 86 -2.676 -8.073 4.392 650 2HB SER 86 HB3 SER 86 -4.212 -8.752 3.861 651 HG SER 86 HG SER 86 -3.141 -9.287 1.920 652 H PHE 87 H PHE 87 -2.087 -5.045 3.842 653 HA PHE 87 HA PHE 87 -0.457 -4.955 1.341 654 1HB PHE 87 HB2 PHE 87 -1.725 -2.858 2.045 655 2HB PHE 87 HB3 PHE 87 -0.687 -2.750 3.429 656 HD1 PHE 87 HD2 PHE 87 1.919 -2.662 2.917 657 HD2 PHE 87 HD1 PHE 87 -1.142 -1.904 -0.024 658 HE1 PHE 87 HE2 PHE 87 3.438 -1.112 1.717 659 HE2 PHE 87 HE1 PHE 87 0.465 -0.559 -1.340 660 HZ PHE 87 HZ PHE 87 2.727 -0.081 -0.425 661 H ASP 88 H ASP 88 1.320 -6.296 1.894 662 HA ASP 88 HA ASP 88 2.170 -6.464 4.760 663 1HB ASP 88 HB2 ASP 88 2.585 -8.480 2.543 664 2HB ASP 88 HB3 ASP 88 2.834 -8.705 4.285 665 HD2 ASP 88 HD ASP 88 -0.823 -9.036 2.741 666 H ILE 89 H ILE 89 4.391 -6.091 5.214 667 HA ILE 89 HA ILE 89 6.045 -5.228 2.898 668 HB ILE 89 HB ILE 89 5.831 -3.904 5.617 669 1HG1 ILE 89 HG12 ILE 89 4.738 -3.104 2.888 670 2HG1 ILE 89 HG13 ILE 89 3.801 -3.514 4.336 671 1HG2 ILE 89 HG21 ILE 89 7.385 -3.165 3.107 672 2HG2 ILE 89 HG22 ILE 89 7.270 -2.197 4.590 673 3HG2 ILE 89 HG23 ILE 89 8.076 -3.751 4.639 674 1HD1 ILE 89 HD12 ILE 89 4.873 -1.544 5.507 675 2HD1 ILE 89 HD13 ILE 89 5.481 -1.034 3.909 676 3HD1 ILE 89 HD11 ILE 89 3.741 -1.184 4.189 677 H THR 90 H THR 90 8.109 -5.882 2.815 678 HA THR 90 HA THR 90 9.504 -7.102 5.033 679 HB THR 90 HB THR 90 8.039 -8.910 4.691 680 HG1 THR 90 HG1 THR 90 9.778 -10.032 4.860 681 1HG2 THR 90 HG23 THR 90 8.598 -8.829 1.695 682 2HG2 THR 90 HG21 THR 90 7.672 -10.085 2.549 683 3HG2 THR 90 HG22 THR 90 7.059 -8.439 2.496 684 H LYS 91 H LYS 91 11.280 -8.602 3.393 685 HA LYS 91 HA LYS 91 12.382 -6.476 1.576 686 1HB LYS 91 HB2 LYS 91 14.062 -8.287 3.354 687 2HB LYS 91 HB3 LYS 91 14.603 -6.984 2.283 688 1HG LYS 91 HG2 LYS 91 13.113 -5.420 3.710 689 2HG LYS 91 HG3 LYS 91 12.985 -6.756 4.853 690 1HD LYS 91 HD2 LYS 91 14.703 -5.317 5.638 691 2HD LYS 91 HD3 LYS 91 15.513 -6.766 5.027 692 1HE LYS 91 HE2 LYS 91 16.233 -5.600 3.017 693 2HE LYS 91 HE3 LYS 91 15.153 -4.237 3.342 694 1HZ LYS 91 HZ3 LYS 91 17.450 -4.996 4.998 695 2HZ LYS 91 HZ1 LYS 91 17.417 -3.762 3.911 696 3HZ LYS 91 HZ2 LYS 91 16.463 -3.698 5.245 697 H LYS 92 H LYS 92 10.913 -9.365 1.475 698 HA LYS 92 HA LYS 92 12.712 -10.801 -0.311 699 1HB LYS 92 HB2 LYS 92 9.743 -11.084 0.308 700 2HB LYS 92 HB3 LYS 92 10.672 -12.179 -0.734 701 1HG LYS 92 HG2 LYS 92 12.238 -12.648 1.126 702 2HG LYS 92 HG3 LYS 92 11.307 -11.619 2.213 703 1HD LYS 92 HD2 LYS 92 10.209 -14.088 0.783 704 2HD LYS 92 HD3 LYS 92 10.877 -14.108 2.414 705 1HE LYS 92 HE2 LYS 92 8.394 -12.555 1.536 706 2HE LYS 92 HE3 LYS 92 8.449 -14.034 2.496 707 1HZ LYS 92 HZ3 LYS 92 9.700 -12.825 4.160 708 2HZ LYS 92 HZ1 LYS 92 9.444 -11.415 3.340 709 3HZ LYS 92 HZ2 LYS 92 8.166 -12.287 3.926 710 H GLY 93 H GLY 93 12.909 -10.515 -2.486 711 1HA GLY 93 HA2 GLY 93 11.491 -8.229 -3.713 712 2HA GLY 93 HA3 GLY 93 12.989 -8.989 -4.260 713 HA PRO 94 HA PRO 94 9.349 -10.747 -6.691 714 1HB PRO 94 HB2 PRO 94 9.570 -9.344 -9.060 715 2HB PRO 94 HB3 PRO 94 8.653 -8.718 -7.662 716 1HG PRO 94 HG2 PRO 94 11.522 -8.109 -8.435 717 2HG PRO 94 HG3 PRO 94 10.222 -6.938 -8.056 718 1HD PRO 94 HD2 PRO 94 12.057 -7.739 -6.198 719 2HD PRO 94 HD3 PRO 94 10.350 -7.426 -5.746 720 HA PRO 95 HA PRO 95 8.814 -11.481 -9.245 721 1HB PRO 95 HB2 PRO 95 9.470 -14.345 -9.831 722 2HB PRO 95 HB3 PRO 95 8.643 -13.150 -10.865 723 1HG PRO 95 HG2 PRO 95 11.220 -13.854 -11.363 724 2HG PRO 95 HG3 PRO 95 10.738 -12.132 -11.451 725 1HD PRO 95 HD2 PRO 95 12.035 -13.568 -9.104 726 2HD PRO 95 HD3 PRO 95 12.527 -12.040 -9.886 727 H TYR 96 H TYR 96 7.093 -11.921 -7.864 728 HA TYR 96 HA TYR 96 7.564 -13.616 -5.506 729 1HB TYR 96 HB2 TYR 96 5.125 -12.082 -6.371 730 2HB TYR 96 HB3 TYR 96 5.335 -12.907 -4.835 731 HD1 TYR 96 HD1 TYR 96 7.362 -12.273 -3.372 732 HD2 TYR 96 HD2 TYR 96 5.925 -9.789 -6.595 733 HE1 TYR 96 HE1 TYR 96 8.687 -10.398 -2.509 734 HE2 TYR 96 HE2 TYR 96 7.299 -7.910 -5.739 735 HH TYR 96 HH TYR 96 9.315 -8.191 -2.806 736 H ALA 97 H ALA 97 6.309 -15.414 -5.015 737 HA ALA 97 HA ALA 97 5.645 -17.071 -7.367 738 1HB ALA 97 HB1 ALA 97 7.017 -18.045 -5.556 739 2HB ALA 97 HB2 ALA 97 5.712 -17.738 -4.391 740 3HB ALA 97 HB3 ALA 97 5.470 -18.899 -5.712 741 H VAL 98 H VAL 98 3.610 -18.174 -7.529 742 HA VAL 98 HA VAL 98 1.319 -16.563 -6.987 743 HB VAL 98 HB VAL 98 1.619 -19.480 -7.769 744 1HG1 VAL 98 HG11 VAL 98 -0.901 -17.754 -7.720 745 2HG1 VAL 98 HG12 VAL 98 -0.765 -19.342 -8.500 746 3HG1 VAL 98 HG13 VAL 98 -0.606 -19.213 -6.747 747 1HG2 VAL 98 HG22 VAL 98 2.468 -17.867 -9.443 748 2HG2 VAL 98 HG23 VAL 98 0.986 -18.646 -10.013 749 3HG2 VAL 98 HG21 VAL 98 0.928 -16.986 -9.384 750 H MET 99 H MET 99 2.941 -19.142 -5.166 751 HA MET 99 HA MET 99 0.852 -19.277 -3.124 752 1HB MET 99 HB2 MET 99 3.680 -20.330 -3.199 753 2HB MET 99 HB3 MET 99 2.512 -20.610 -1.892 754 1HG MET 99 HG2 MET 99 0.926 -21.589 -3.619 755 2HG MET 99 HG3 MET 99 2.252 -21.513 -4.786 756 1HE MET 99 HE2 MET 99 4.577 -22.706 -4.341 757 2HE MET 99 HE3 MET 99 4.664 -22.282 -2.611 758 3HE MET 99 HE1 MET 99 4.831 -23.980 -3.117 759 HA PRO 100 HA PRO 100 2.486 -15.412 -1.548 760 1HB PRO 100 HB2 PRO 100 1.050 -15.121 0.756 761 2HB PRO 100 HB3 PRO 100 0.344 -14.980 -0.880 762 1HG PRO 100 HG2 PRO 100 0.311 -17.362 0.971 763 2HG PRO 100 HG3 PRO 100 -1.051 -16.641 0.062 764 1HD PRO 100 HD2 PRO 100 0.376 -18.832 -0.837 765 2HD PRO 100 HD3 PRO 100 -0.308 -17.628 -1.963 766 H VAL 101 H VAL 101 4.639 -15.781 -1.130 767 HA VAL 101 HA VAL 101 5.525 -17.334 1.178 768 HB VAL 101 HB VAL 101 7.139 -15.429 -0.570 769 1HG1 VAL 101 HG13 VAL 101 8.191 -16.131 1.607 770 2HG1 VAL 101 HG11 VAL 101 7.957 -17.824 1.144 771 3HG1 VAL 101 HG12 VAL 101 9.040 -16.782 0.198 772 1HG2 VAL 101 HG22 VAL 101 6.569 -18.406 -0.917 773 2HG2 VAL 101 HG23 VAL 101 6.133 -17.098 -2.040 774 3HG2 VAL 101 HG21 VAL 101 7.830 -17.505 -1.784 775 H ILE 102 H ILE 102 4.466 -16.386 2.872 776 HA ILE 102 HA ILE 102 4.480 -13.561 3.366 777 HB ILE 102 HB ILE 102 3.534 -14.361 5.658 778 1HG1 ILE 102 HG12 ILE 102 2.808 -16.839 4.060 779 2HG1 ILE 102 HG13 ILE 102 4.217 -16.865 5.125 780 1HG2 ILE 102 HG21 ILE 102 2.175 -14.665 2.969 781 2HG2 ILE 102 HG22 ILE 102 1.306 -14.547 4.516 782 3HG2 ILE 102 HG23 ILE 102 2.318 -13.208 3.983 783 1HD1 ILE 102 HD13 ILE 102 2.798 -16.157 7.035 784 2HD1 ILE 102 HD11 ILE 102 1.370 -16.205 5.980 785 3HD1 ILE 102 HD12 ILE 102 2.269 -17.695 6.319 786 H ASP 103 H ASP 103 5.603 -15.809 5.923 787 HA ASP 103 HA ASP 103 7.079 -13.624 6.919 788 1HB ASP 103 HB2 ASP 103 6.755 -16.475 7.806 789 2HB ASP 103 HB3 ASP 103 8.063 -15.529 8.505 790 HD1 ASP 103 HD ASP 103 5.850 -13.175 9.977 791 HA PRO 104 HA PRO 104 9.004 -13.415 8.455 792 1HB PRO 104 HB2 PRO 104 11.147 -11.766 8.405 793 2HB PRO 104 HB3 PRO 104 11.271 -13.512 8.757 794 1HG PRO 104 HG2 PRO 104 11.745 -12.141 6.091 795 2HG PRO 104 HG3 PRO 104 12.814 -13.303 6.931 796 1HD PRO 104 HD2 PRO 104 11.087 -14.122 4.987 797 2HD PRO 104 HD3 PRO 104 11.366 -15.119 6.436 798 H ILE 105 H ILE 105 7.275 -12.023 8.382 799 HA ILE 105 HA ILE 105 7.268 -9.722 6.496 800 HB ILE 105 HB ILE 105 5.245 -10.810 8.463 801 1HG1 ILE 105 HG12 ILE 105 5.279 -12.078 6.412 802 2HG1 ILE 105 HG13 ILE 105 3.813 -11.113 6.489 803 1HG2 ILE 105 HG23 ILE 105 5.111 -8.244 6.854 804 2HG2 ILE 105 HG21 ILE 105 3.691 -9.037 7.562 805 3HG2 ILE 105 HG22 ILE 105 4.974 -8.434 8.610 806 1HD1 ILE 105 HD13 ILE 105 4.970 -9.400 4.954 807 2HD1 ILE 105 HD11 ILE 105 6.250 -10.609 4.737 808 3HD1 ILE 105 HD12 ILE 105 4.598 -10.982 4.244 809 H VAL 106 H VAL 106 7.571 -7.617 7.181 810 HA VAL 106 HA VAL 106 8.609 -7.315 9.980 811 HB VAL 106 HB VAL 106 8.993 -5.547 7.531 812 1HG1 VAL 106 HG11 VAL 106 10.063 -5.345 10.391 813 2HG1 VAL 106 HG12 VAL 106 10.590 -4.336 9.036 814 3HG1 VAL 106 HG13 VAL 106 8.934 -4.209 9.629 815 1HG2 VAL 106 HG22 VAL 106 10.899 -7.380 9.046 816 2HG2 VAL 106 HG23 VAL 106 10.312 -7.617 7.386 817 3HG2 VAL 106 HG21 VAL 106 11.368 -6.250 7.763 818 H ALA 107 H ALA 107 7.045 -5.029 7.760 819 HA ALA 107 HA ALA 107 4.981 -4.459 9.853 820 1HB ALA 107 HB3 ALA 107 5.966 -2.725 7.549 821 2HB ALA 107 HB1 ALA 107 4.620 -2.333 8.645 822 3HB ALA 107 HB2 ALA 107 6.264 -2.499 9.281 823 H GLY 108 H GLY 108 2.725 -4.060 8.911 824 1HA GLY 108 HA2 GLY 108 2.082 -4.540 6.282 825 2HA GLY 108 HA3 GLY 108 2.025 -6.146 7.067 826 H THR 109 H THR 109 -0.319 -5.428 6.165 827 HA THR 109 HA THR 109 -1.875 -4.674 8.618 828 HB THR 109 HB THR 109 -3.610 -4.043 6.699 829 HG1 THR 109 HG1 THR 109 -1.111 -3.861 5.351 830 1HG2 THR 109 HG22 THR 109 -1.163 -2.409 7.417 831 2HG2 THR 109 HG23 THR 109 -2.632 -1.746 6.649 832 3HG2 THR 109 HG21 THR 109 -2.708 -2.448 8.281 833 H GLY 110 H GLY 110 -3.144 -6.173 9.396 834 1HA GLY 110 HA2 GLY 110 -3.015 -8.807 8.132 835 2HA GLY 110 HA3 GLY 110 -3.673 -8.360 9.698 836 H PHE 111 H PHE 111 -4.295 -7.583 6.258 837 HA PHE 111 HA PHE 111 -6.049 -7.758 4.859 838 1HB PHE 111 HB2 PHE 111 -7.328 -9.659 6.825 839 2HB PHE 111 HB3 PHE 111 -7.733 -9.445 5.145 840 HD1 PHE 111 HD2 PHE 111 -5.046 -10.770 7.425 841 HD2 PHE 111 HD1 PHE 111 -6.608 -10.743 3.421 842 HE1 PHE 111 HE2 PHE 111 -3.021 -11.950 6.622 843 HE2 PHE 111 HE1 PHE 111 -4.594 -11.923 2.623 844 HZ PHE 111 HZ PHE 111 -2.749 -12.457 4.195 845 H SER 112 H SER 112 -6.744 -5.698 4.771 846 HA SER 112 HA SER 112 -7.913 -4.264 6.879 847 1HB SER 112 HB2 SER 112 -8.237 -2.679 4.718 848 2HB SER 112 HB3 SER 112 -6.655 -3.042 5.441 849 HG SER 112 HG SER 112 -6.550 -3.366 3.227 850 HA PRO 113 HA PRO 113 -12.326 -4.584 6.315 851 1HB PRO 113 HB2 PRO 113 -13.208 -2.013 6.679 852 2HB PRO 113 HB3 PRO 113 -12.505 -2.966 8.019 853 1HG PRO 113 HG2 PRO 113 -11.050 -0.994 6.216 854 2HG PRO 113 HG3 PRO 113 -11.109 -0.978 7.997 855 1HD PRO 113 HD2 PRO 113 -9.038 -2.138 6.761 856 2HD PRO 113 HD3 PRO 113 -9.811 -3.013 8.106 857 H VAL 114 H VAL 114 -13.988 -4.108 4.683 858 HA VAL 114 HA VAL 114 -13.056 -2.594 2.301 859 HB VAL 114 HB VAL 114 -14.024 -5.420 1.921 860 1HG1 VAL 114 HG13 VAL 114 -13.703 -3.796 0.014 861 2HG1 VAL 114 HG11 VAL 114 -11.991 -3.656 0.484 862 3HG1 VAL 114 HG12 VAL 114 -12.619 -5.201 -0.095 863 1HG2 VAL 114 HG21 VAL 114 -12.258 -5.801 3.528 864 2HG2 VAL 114 HG22 VAL 114 -11.861 -6.309 1.913 865 3HG2 VAL 114 HG23 VAL 114 -11.140 -4.813 2.534 866 HA PRO 115 HA PRO 115 -17.570 -1.887 2.945 867 1HB PRO 115 HB2 PRO 115 -16.679 0.607 1.507 868 2HB PRO 115 HB3 PRO 115 -17.877 0.442 2.821 869 1HG PRO 115 HG2 PRO 115 -15.378 1.352 3.384 870 2HG PRO 115 HG3 PRO 115 -16.128 0.123 4.446 871 1HD PRO 115 HD2 PRO 115 -14.136 -0.350 2.200 872 2HD PRO 115 HD3 PRO 115 -14.117 -0.981 3.872 873 H LYS 116 H LYS 116 -19.252 -1.400 1.256 874 HA LYS 116 HA LYS 116 -18.480 -2.707 -1.291 875 1HB LYS 116 HB2 LYS 116 -21.166 -2.375 0.094 876 2HB LYS 116 HB3 LYS 116 -20.916 -3.266 -1.408 877 1HG LYS 116 HG2 LYS 116 -19.606 -4.017 1.252 878 2HG LYS 116 HG3 LYS 116 -21.104 -4.704 0.618 879 1HD LYS 116 HD2 LYS 116 -19.890 -5.475 -1.421 880 2HD LYS 116 HD3 LYS 116 -18.372 -4.871 -0.724 881 1HE LYS 116 HE2 LYS 116 -18.528 -6.413 1.145 882 2HE LYS 116 HE3 LYS 116 -20.134 -6.957 0.622 883 1HZ LYS 116 HZ1 LYS 116 -17.652 -7.317 -0.910 884 2HZ LYS 116 HZ2 LYS 116 -18.431 -8.473 -0.036 885 3HZ LYS 116 HZ3 LYS 116 -19.153 -7.817 -1.362 886 H ASP 117 H ASP 117 -18.664 0.303 -0.441 887 HA ASP 117 HA ASP 117 -18.301 1.754 -2.500 888 1HB ASP 117 HB2 ASP 117 -20.260 2.567 -3.646 889 2HB ASP 117 HB3 ASP 117 -20.203 0.853 -3.901 890 HD2 ASP 117 HD ASP 117 -21.735 -0.368 -2.709 891 H GLY 118 H GLY 118 -19.100 4.065 -2.398 892 1HA GLY 118 HA2 GLY 118 -19.660 5.982 -1.334 893 2HA GLY 118 HA3 GLY 118 -20.637 5.096 -0.165 894 H LYS 119 H LYS 119 -19.183 3.612 1.298 895 HA LYS 119 HA LYS 119 -17.364 5.398 2.735 896 1HB LYS 119 HB2 LYS 119 -18.359 2.590 3.319 897 2HB LYS 119 HB3 LYS 119 -17.251 3.506 4.360 898 1HG LYS 119 HG2 LYS 119 -18.955 5.283 4.620 899 2HG LYS 119 HG3 LYS 119 -20.083 4.359 3.603 900 1HD LYS 119 HD2 LYS 119 -20.007 2.480 5.227 901 2HD LYS 119 HD3 LYS 119 -18.865 3.393 6.237 902 1HE LYS 119 HE2 LYS 119 -20.563 5.176 6.560 903 2HE LYS 119 HE3 LYS 119 -21.708 4.280 5.541 904 1HZ LYS 119 HZ1 LYS 119 -20.566 3.326 8.074 905 2HZ LYS 119 HZ2 LYS 119 -22.092 3.908 7.857 906 3HZ LYS 119 HZ3 LYS 119 -21.637 2.502 7.129 907 H PHE 120 H PHE 120 -15.194 4.713 3.232 908 HA PHE 120 HA PHE 120 -13.901 2.913 1.234 909 1HB PHE 120 HB2 PHE 120 -13.628 5.837 1.706 910 2HB PHE 120 HB3 PHE 120 -12.140 5.009 1.377 911 HD1 PHE 120 HD2 PHE 120 -12.001 3.536 -0.773 912 HD2 PHE 120 HD1 PHE 120 -15.494 5.827 0.060 913 HE1 PHE 120 HE2 PHE 120 -12.644 3.397 -3.166 914 HE2 PHE 120 HE1 PHE 120 -16.247 5.560 -2.279 915 HZ PHE 120 HZ PHE 120 -14.752 4.478 -3.942 916 H GLY 121 H GLY 121 -12.864 1.427 2.355 917 1HA GLY 121 HA2 GLY 121 -12.226 1.632 5.167 918 2HA GLY 121 HA3 GLY 121 -11.813 0.308 4.071 919 H TYR 122 H TYR 122 -10.485 2.720 5.970 920 HA TYR 122 HA TYR 122 -7.971 2.686 4.414 921 1HB TYR 122 HB2 TYR 122 -7.450 4.937 4.908 922 2HB TYR 122 HB3 TYR 122 -9.062 4.936 4.237 923 HD1 TYR 122 HD2 TYR 122 -6.915 5.421 7.229 924 HD2 TYR 122 HD1 TYR 122 -10.898 5.753 5.642 925 HE1 TYR 122 HE2 TYR 122 -7.567 6.824 9.167 926 HE2 TYR 122 HE1 TYR 122 -11.522 7.232 7.561 927 HH TYR 122 HH TYR 122 -10.851 8.164 9.535 928 H THR 123 H THR 123 -6.076 3.156 5.692 929 HA THR 123 HA THR 123 -6.123 2.693 8.558 930 HB THR 123 HB THR 123 -5.101 0.630 6.547 931 HG1 THR 123 HG1 THR 123 -7.321 0.833 7.983 932 1HG2 THR 123 HG22 THR 123 -3.424 0.914 8.336 933 2HG2 THR 123 HG23 THR 123 -4.684 0.587 9.538 934 3HG2 THR 123 HG21 THR 123 -4.216 -0.659 8.389 935 H ASP 124 H ASP 124 -4.583 4.126 9.186 936 HA ASP 124 HA ASP 124 -2.363 4.910 7.329 937 1HB ASP 124 HB2 ASP 124 -3.398 6.154 9.918 938 2HB ASP 124 HB3 ASP 124 -2.000 6.712 9.001 939 HD2 ASP 124 HD ASP 124 -5.589 7.859 7.875 940 H PHE 125 H PHE 125 -1.441 2.630 7.732 941 HA PHE 125 HA PHE 125 -0.720 2.169 10.530 942 1HB PHE 125 HB2 PHE 125 0.373 0.218 10.024 943 2HB PHE 125 HB3 PHE 125 -1.252 0.255 9.382 944 HD1 PHE 125 HD1 PHE 125 -1.477 0.680 6.761 945 HD2 PHE 125 HD2 PHE 125 2.164 -0.533 8.748 946 HE1 PHE 125 HE1 PHE 125 -0.865 -0.707 4.812 947 HE2 PHE 125 HE2 PHE 125 2.742 -1.951 6.809 948 HZ PHE 125 HZ PHE 125 1.188 -2.130 4.900 949 H THR 126 H THR 126 0.815 3.158 11.429 950 HA THR 126 HA THR 126 2.687 4.882 9.939 951 HB THR 126 HB THR 126 1.902 4.757 12.874 952 HG1 THR 126 HG1 THR 126 0.219 5.279 11.240 953 1HG2 THR 126 HG22 THR 126 3.297 6.919 11.245 954 2HG2 THR 126 HG23 THR 126 2.751 7.083 12.925 955 3HG2 THR 126 HG21 THR 126 4.051 5.944 12.530 956 H TRP 127 H TRP 127 4.234 3.399 9.198 957 HA TRP 127 HA TRP 127 5.588 1.641 11.157 958 1HB TRP 127 HB2 TRP 127 4.834 0.618 9.106 959 2HB TRP 127 HB3 TRP 127 5.593 1.876 8.138 960 HD1 TRP 127 HD1 TRP 127 7.308 -0.228 10.887 961 HE1 TRP 127 HE1 TRP 127 9.319 -1.420 9.886 962 HE3 TRP 127 HE3 TRP 127 6.674 1.103 6.016 963 HZ2 TRP 127 HZ2 TRP 127 10.532 -1.727 7.257 964 HZ3 TRP 127 HZ3 TRP 127 8.269 0.329 4.270 965 HH2 TRP 127 HH2 TRP 127 10.162 -1.071 4.845 966 H HIS 128 H HIS 128 7.756 1.761 11.624 967 HA HIS 128 HA HIS 128 9.322 4.100 10.631 968 1HB HIS 128 HB2 HIS 128 9.394 2.673 13.299 969 2HB HIS 128 HB3 HIS 128 10.667 3.747 12.707 970 HD1 HIS 128 HD1 HIS 128 7.100 3.923 14.060 971 HD2 HIS 128 HD2 HIS 128 9.949 6.348 12.117 972 HE1 HIS 128 HE1 HIS 128 6.195 6.322 14.131 973 HE2 HIS 128 HE2 HIS 128 7.930 7.781 12.915 974 HA PRO 129 HA PRO 129 11.019 0.359 8.741 975 1HB PRO 129 HB2 PRO 129 12.199 1.407 6.600 976 2HB PRO 129 HB3 PRO 129 10.435 1.581 6.812 977 1HG PRO 129 HG2 PRO 129 12.544 3.626 7.569 978 2HG PRO 129 HG3 PRO 129 11.112 3.874 6.527 979 1HD PRO 129 HD2 PRO 129 11.123 4.381 9.230 980 2HD PRO 129 HD3 PRO 129 9.647 3.777 8.399 981 H THR 130 H THR 130 13.370 -0.183 7.786 982 HA THR 130 HA THR 130 15.553 1.184 9.229 983 HB THR 130 HB THR 130 16.713 -0.982 9.476 984 HG1 THR 130 HG1 THR 130 15.595 -2.877 9.250 985 1HG2 THR 130 HG21 THR 130 15.451 0.005 11.385 986 2HG2 THR 130 HG22 THR 130 14.019 -0.929 10.908 987 3HG2 THR 130 HG23 THR 130 15.486 -1.768 11.450 988 H ALA 131 H ALA 131 17.631 0.906 7.936 989 HA ALA 131 HA ALA 131 16.911 1.704 5.344 990 1HB ALA 131 HB2 ALA 131 18.865 2.607 6.520 991 2HB ALA 131 HB3 ALA 131 19.705 1.050 6.318 992 3HB ALA 131 HB1 ALA 131 19.272 2.032 4.896 993 H GLY 132 H GLY 132 17.576 0.938 3.300 994 1HA GLY 132 HA2 GLY 132 18.706 -0.670 1.919 995 2HA GLY 132 HA3 GLY 132 18.169 -1.981 2.987 996 H THR 133 H THR 133 17.611 -2.628 0.640 997 HA THR 133 HA THR 133 15.307 -1.408 -0.572 998 HB THR 133 HB THR 133 16.635 -4.042 -1.296 999 HG1 THR 133 HG1 THR 133 18.005 -2.696 -2.556 1000 1HG2 THR 133 HG23 THR 133 14.523 -3.404 -2.502 1001 2HG2 THR 133 HG21 THR 133 15.274 -1.865 -2.960 1002 3HG2 THR 133 HG22 THR 133 15.936 -3.394 -3.572 1003 H TYR 134 H TYR 134 13.646 -1.586 0.945 1004 HA TYR 134 HA TYR 134 12.654 -4.248 1.773 1005 1HB TYR 134 HB2 TYR 134 12.008 -1.383 2.367 1006 2HB TYR 134 HB3 TYR 134 10.671 -2.524 2.421 1007 HD1 TYR 134 HD2 TYR 134 14.062 -1.772 3.853 1008 HD2 TYR 134 HD1 TYR 134 10.317 -3.861 4.262 1009 HE1 TYR 134 HE2 TYR 134 14.581 -2.267 6.222 1010 HE2 TYR 134 HE1 TYR 134 10.732 -4.147 6.644 1011 HH TYR 134 HH TYR 134 13.652 -2.875 8.244 1012 H TYR 135 H TYR 135 10.167 -4.503 1.302 1013 HA TYR 135 HA TYR 135 9.353 -3.574 -1.336 1014 1HB TYR 135 HB2 TYR 135 9.727 -6.510 -0.639 1015 2HB TYR 135 HB3 TYR 135 8.815 -5.922 -2.023 1016 HD1 TYR 135 HD2 TYR 135 12.222 -6.244 -0.590 1017 HD2 TYR 135 HD1 TYR 135 9.898 -5.209 -4.056 1018 HE1 TYR 135 HE2 TYR 135 14.260 -6.357 -1.960 1019 HE2 TYR 135 HE1 TYR 135 11.947 -5.367 -5.453 1020 HH TYR 135 HH TYR 135 15.132 -6.195 -4.093 1021 H TYR 136 H TYR 136 7.097 -3.844 -1.666 1022 HA TYR 136 HA TYR 136 5.516 -4.728 0.705 1023 1HB TYR 136 HB2 TYR 136 3.740 -3.273 0.032 1024 2HB TYR 136 HB3 TYR 136 5.181 -2.363 0.455 1025 HD1 TYR 136 HD2 TYR 136 6.504 -1.208 -1.314 1026 HD2 TYR 136 HD1 TYR 136 2.758 -3.134 -2.207 1027 HE1 TYR 136 HE2 TYR 136 6.207 0.280 -3.265 1028 HE2 TYR 136 HE1 TYR 136 2.506 -1.663 -4.220 1029 HH TYR 136 HH TYR 136 4.924 0.746 -5.126 1030 H VAL 137 H VAL 137 3.767 -6.075 0.263 1031 HA VAL 137 HA VAL 137 3.118 -6.812 -2.486 1032 HB VAL 137 HB VAL 137 3.398 -9.238 -1.982 1033 1HG1 VAL 137 HG12 VAL 137 5.084 -8.070 -3.356 1034 2HG1 VAL 137 HG13 VAL 137 6.074 -7.801 -1.897 1035 3HG1 VAL 137 HG11 VAL 137 5.709 -9.446 -2.444 1036 1HG2 VAL 137 HG22 VAL 137 3.544 -9.148 0.474 1037 2HG2 VAL 137 HG23 VAL 137 4.966 -9.940 -0.219 1038 3HG2 VAL 137 HG21 VAL 137 5.088 -8.276 0.379 1039 H CYS 138 H CYS 138 1.031 -7.753 -2.629 1040 HA CYS 138 HA CYS 138 -0.595 -7.919 -0.120 1041 1HB CYS 138 HB2 CYS 138 -1.689 -6.806 -1.961 1042 2HB CYS 138 HB3 CYS 138 -1.214 -8.112 -3.050 1043 H GLN 139 H GLN 139 -0.174 -9.815 0.934 1044 HA GLN 139 HA GLN 139 0.692 -12.215 -0.400 1045 1HB GLN 139 HB2 GLN 139 -0.099 -11.567 2.454 1046 2HB GLN 139 HB3 GLN 139 0.587 -13.112 1.993 1047 1HG GLN 139 HG2 GLN 139 1.990 -10.475 1.386 1048 2HG GLN 139 HG3 GLN 139 2.205 -11.343 2.900 1049 1HE2 GLN 139 HE22 GLN 139 5.059 -12.609 1.151 1050 2HE2 GLN 139 HE21 GLN 139 4.549 -11.152 1.987 1051 H ILE 140 H ILE 140 -1.869 -11.587 -1.481 1052 HA ILE 140 HA ILE 140 -3.514 -13.889 -0.506 1053 HB ILE 140 HB ILE 140 -4.200 -11.572 -2.305 1054 1HG1 ILE 140 HG12 ILE 140 -5.231 -12.639 0.367 1055 2HG1 ILE 140 HG13 ILE 140 -4.352 -11.133 0.082 1056 1HG2 ILE 140 HG21 ILE 140 -5.148 -13.701 -3.273 1057 2HG2 ILE 140 HG22 ILE 140 -5.946 -13.998 -1.709 1058 3HG2 ILE 140 HG23 ILE 140 -6.384 -12.600 -2.697 1059 1HD1 ILE 140 HD11 ILE 140 -6.344 -10.411 -1.365 1060 2HD1 ILE 140 HD12 ILE 140 -7.207 -11.823 -0.716 1061 3HD1 ILE 140 HD13 ILE 140 -6.647 -10.563 0.386 1062 HA PRO 141 HA PRO 141 -1.355 -16.323 -3.433 1063 1HB PRO 141 HB2 PRO 141 -4.104 -17.369 -4.181 1064 2HB PRO 141 HB3 PRO 141 -2.585 -18.301 -4.007 1065 1HG PRO 141 HG2 PRO 141 -4.365 -18.228 -1.959 1066 2HG PRO 141 HG3 PRO 141 -2.626 -18.022 -1.614 1067 1HD PRO 141 HD2 PRO 141 -4.766 -15.919 -1.780 1068 2HD PRO 141 HD3 PRO 141 -3.388 -16.055 -0.649 1069 H GLY 142 H GLY 142 -0.564 -15.915 -5.420 1070 1HA GLY 142 HA2 GLY 142 -0.454 -15.274 -7.634 1071 2HA GLY 142 HA3 GLY 142 -2.208 -15.130 -7.675 1072 H HIS 143 H HIS 143 -1.983 -13.096 -5.261 1073 HA HIS 143 HA HIS 143 -2.221 -10.857 -7.028 1074 1HB HIS 143 HB2 HIS 143 -2.095 -11.051 -4.011 1075 2HB HIS 143 HB3 HIS 143 -2.306 -9.554 -4.892 1076 HD2 HIS 143 HD2 HIS 143 -4.184 -12.622 -6.306 1077 HE1 HIS 143 HE1 HIS 143 -7.081 -10.226 -4.346 1078 HE2 HIS 143 HE2 HIS 143 -6.707 -12.243 -5.851 1079 H ALA 144 H ALA 144 0.312 -11.561 -4.564 1080 HA ALA 144 HA ALA 144 2.049 -9.442 -5.244 1081 1HB ALA 144 HB2 ALA 144 2.310 -10.920 -3.258 1082 2HB ALA 144 HB3 ALA 144 2.897 -12.217 -4.326 1083 3HB ALA 144 HB1 ALA 144 3.804 -10.694 -4.193 1084 H ALA 145 H ALA 145 1.774 -12.740 -6.638 1085 HA ALA 145 HA ALA 145 4.010 -12.578 -8.377 1086 1HB ALA 145 HB2 ALA 145 2.887 -14.695 -7.783 1087 2HB ALA 145 HB3 ALA 145 1.463 -14.214 -8.728 1088 3HB ALA 145 HB1 ALA 145 3.020 -14.487 -9.532 1089 H THR 146 H THR 146 0.580 -11.674 -8.911 1090 HA THR 146 HA THR 146 1.054 -11.102 -11.720 1091 HB THR 146 HB THR 146 -1.301 -10.193 -11.610 1092 HG1 THR 146 HG1 THR 146 -1.291 -11.366 -9.035 1093 1HG2 THR 146 HG23 THR 146 -0.793 -13.047 -10.651 1094 2HG2 THR 146 HG21 THR 146 -2.323 -12.437 -11.314 1095 3HG2 THR 146 HG22 THR 146 -0.870 -12.484 -12.329 1096 H GLY 147 H GLY 147 0.123 -8.896 -8.971 1097 1HA GLY 147 HA2 GLY 147 1.913 -6.820 -9.903 1098 2HA GLY 147 HA3 GLY 147 0.321 -6.590 -10.630 1099 H MET 148 H MET 148 0.697 -7.882 -7.316 1100 HA MET 148 HA MET 148 -0.186 -5.200 -6.258 1101 1HB MET 148 HB2 MET 148 -0.548 -7.962 -5.082 1102 2HB MET 148 HB3 MET 148 -1.115 -6.401 -4.430 1103 1HG MET 148 HG2 MET 148 -2.203 -6.316 -6.883 1104 2HG MET 148 HG3 MET 148 -2.201 -8.057 -6.676 1105 1HE MET 148 HE3 MET 148 -3.644 -4.638 -5.854 1106 2HE MET 148 HE1 MET 148 -4.696 -4.896 -4.437 1107 3HE MET 148 HE2 MET 148 -2.931 -5.002 -4.259 1108 H PHE 149 H PHE 149 2.311 -4.796 -6.644 1109 HA PHE 149 HA PHE 149 3.572 -5.190 -4.065 1110 1HB PHE 149 HB2 PHE 149 5.479 -6.449 -4.903 1111 2HB PHE 149 HB3 PHE 149 4.021 -7.325 -5.275 1112 HD1 PHE 149 HD1 PHE 149 6.806 -5.353 -6.770 1113 HD2 PHE 149 HD2 PHE 149 3.232 -7.628 -7.573 1114 HE1 PHE 149 HE1 PHE 149 7.534 -5.680 -9.108 1115 HE2 PHE 149 HE2 PHE 149 4.028 -8.058 -9.877 1116 HZ PHE 149 HZ PHE 149 6.160 -7.051 -10.665 1117 H GLY 150 H GLY 150 6.036 -4.371 -4.263 1118 1HA GLY 150 HA2 GLY 150 7.043 -2.729 -6.300 1119 2HA GLY 150 HA3 GLY 150 6.082 -1.665 -5.290 1120 H LYS 151 H LYS 151 8.768 -1.238 -5.457 1121 HA LYS 151 HA LYS 151 10.114 -2.672 -3.234 1122 1HB LYS 151 HB2 LYS 151 11.614 -0.826 -5.023 1123 2HB LYS 151 HB3 LYS 151 12.101 -2.310 -4.226 1124 1HG LYS 151 HG2 LYS 151 10.567 -3.534 -5.889 1125 2HG LYS 151 HG3 LYS 151 10.436 -2.011 -6.769 1126 1HD LYS 151 HD2 LYS 151 13.066 -3.428 -6.125 1127 2HD LYS 151 HD3 LYS 151 12.204 -3.566 -7.659 1128 1HE LYS 151 HE2 LYS 151 13.360 -0.977 -6.508 1129 2HE LYS 151 HE3 LYS 151 14.095 -1.984 -7.757 1130 1HZ LYS 151 HZ2 LYS 151 12.159 -1.589 -9.126 1131 2HZ LYS 151 HZ3 LYS 151 11.535 -0.557 -7.999 1132 3HZ LYS 151 HZ1 LYS 151 12.953 -0.199 -8.744 1133 H ILE 152 H ILE 152 11.177 -1.479 -1.601 1134 HA ILE 152 HA ILE 152 10.441 1.391 -1.248 1135 HB ILE 152 HB ILE 152 10.579 -0.737 0.901 1136 1HG1 ILE 152 HG12 ILE 152 8.127 0.360 -0.460 1137 2HG1 ILE 152 HG13 ILE 152 8.675 -1.332 -0.316 1138 1HG2 ILE 152 HG23 ILE 152 11.075 1.747 1.424 1139 2HG2 ILE 152 HG21 ILE 152 9.366 2.023 1.047 1140 3HG2 ILE 152 HG22 ILE 152 9.837 0.959 2.404 1141 1HD1 ILE 152 HD13 ILE 152 8.399 -1.159 2.169 1142 2HD1 ILE 152 HD11 ILE 152 7.608 0.420 1.916 1143 3HD1 ILE 152 HD12 ILE 152 6.894 -1.046 1.241 1144 H VAL 153 H VAL 153 12.495 2.156 -1.908 1145 HA VAL 153 HA VAL 153 14.949 0.945 -0.789 1146 HB VAL 153 HB VAL 153 14.591 3.462 -2.433 1147 1HG1 VAL 153 HG11 VAL 153 17.024 1.741 -1.708 1148 2HG1 VAL 153 HG12 VAL 153 17.049 3.063 -2.897 1149 3HG1 VAL 153 HG13 VAL 153 16.720 3.412 -1.196 1150 1HG2 VAL 153 HG21 VAL 153 15.289 0.613 -3.288 1151 2HG2 VAL 153 HG22 VAL 153 13.821 1.507 -3.740 1152 3HG2 VAL 153 HG23 VAL 153 15.396 2.041 -4.339 1153 H VAL 154 H VAL 154 14.808 1.228 1.434 1154 HA VAL 154 HA VAL 154 14.252 3.929 2.533 1155 HB VAL 154 HB VAL 154 15.007 1.357 3.951 1156 1HG1 VAL 154 HG13 VAL 154 15.412 3.486 5.228 1157 2HG1 VAL 154 HG11 VAL 154 13.733 3.969 4.921 1158 3HG1 VAL 154 HG12 VAL 154 14.087 2.553 5.925 1159 1HG2 VAL 154 HG21 VAL 154 12.267 2.573 3.418 1160 2HG2 VAL 154 HG22 VAL 154 12.889 1.043 2.748 1161 3HG2 VAL 154 HG23 VAL 154 12.604 1.178 4.471 1162 H LYS 155 H LYS 155 15.967 5.182 1.750 1163 HA LYS 155 HA LYS 155 18.519 4.754 3.139 1164 1HB LYS 155 HB2 LYS 155 18.534 4.970 0.101 1165 2HB LYS 155 HB3 LYS 155 19.932 4.952 1.200 1166 1HG LYS 155 HG2 LYS 155 19.389 2.645 1.884 1167 2HG LYS 155 HG3 LYS 155 18.034 2.621 0.734 1168 1HD LYS 155 HD2 LYS 155 19.597 3.052 -1.138 1169 2HD LYS 155 HD3 LYS 155 20.960 3.048 0.000 1170 1HE LYS 155 HE2 LYS 155 20.446 0.704 0.627 1171 2HE LYS 155 HE3 LYS 155 19.056 0.701 -0.478 1172 1HZ LYS 155 HZ1 LYS 155 20.570 1.067 -2.283 1173 2HZ LYS 155 HZ2 LYS 155 21.861 1.055 -1.258 1174 3HZ LYS 155 HZ3 LYS 155 20.958 -0.308 -1.462 No H/Q in entry = 1174 Start of MODEL 8 1 H GLY 1 H GLY 1 -2.689 -6.398 14.845 2 1HA GLY 1 HA2 GLY 1 -2.011 -6.220 17.390 3 2HA GLY 1 HA3 GLY 1 -2.968 -7.715 17.491 4 H THR 2 H THR 2 -2.413 -9.026 15.188 5 HA THR 2 HA THR 2 0.257 -10.124 15.452 6 HB THR 2 HB THR 2 -0.709 -11.103 13.151 7 HG1 THR 2 HG1 THR 2 -3.014 -10.909 13.150 8 1HG2 THR 2 HG23 THR 2 -2.130 -11.621 15.815 9 2HG2 THR 2 HG21 THR 2 -2.135 -12.710 14.412 10 3HG2 THR 2 HG22 THR 2 -0.623 -12.398 15.282 11 H LEU 3 H LEU 3 -1.528 -8.625 12.878 12 HA LEU 3 HA LEU 3 0.786 -6.991 11.881 13 1HB LEU 3 HB2 LEU 3 -1.398 -8.537 10.526 14 2HB LEU 3 HB3 LEU 3 -1.011 -7.009 9.800 15 HG LEU 3 HG LEU 3 1.233 -7.650 9.320 16 1HD1 LEU 3 HD12 LEU 3 0.871 -10.086 11.107 17 2HD1 LEU 3 HD13 LEU 3 2.216 -9.852 9.971 18 3HD1 LEU 3 HD11 LEU 3 2.025 -8.741 11.317 19 1HD2 LEU 3 HD22 LEU 3 -0.532 -8.682 7.882 20 2HD2 LEU 3 HD23 LEU 3 0.939 -9.666 7.953 21 3HD2 LEU 3 HD21 LEU 3 -0.490 -10.136 8.894 22 H ASP 4 H ASP 4 -0.244 -4.977 10.733 23 HA ASP 4 HA ASP 4 -1.396 -3.545 12.956 24 1HB ASP 4 HB2 ASP 4 0.277 -2.586 11.355 25 2HB ASP 4 HB3 ASP 4 -0.999 -2.529 10.124 26 HD1 ASP 4 HD ASP 4 -2.809 -0.182 12.197 27 H THR 5 H THR 5 -3.521 -3.606 13.463 28 HA THR 5 HA THR 5 -5.555 -4.136 11.385 29 HB THR 5 HB THR 5 -6.769 -4.834 13.572 30 HG1 THR 5 HG1 THR 5 -5.003 -5.355 15.171 31 1HG2 THR 5 HG22 THR 5 -4.228 -6.333 12.735 32 2HG2 THR 5 HG23 THR 5 -5.560 -7.003 13.678 33 3HG2 THR 5 HG21 THR 5 -5.828 -6.497 12.002 34 H THR 6 H THR 6 -4.413 -1.373 11.862 35 HA THR 6 HA THR 6 -6.438 0.019 13.421 36 HB THR 6 HB THR 6 -4.321 1.280 11.590 37 HG1 THR 6 HG1 THR 6 -4.192 0.446 14.299 38 1HG2 THR 6 HG22 THR 6 -5.803 2.213 14.100 39 2HG2 THR 6 HG23 THR 6 -4.544 3.115 13.223 40 3HG2 THR 6 HG21 THR 6 -6.113 2.797 12.457 41 H TRP 7 H TRP 7 -8.090 -1.150 12.105 42 HA TRP 7 HA TRP 7 -8.633 -0.359 9.362 43 1HB TRP 7 HB2 TRP 7 -10.347 -1.746 11.486 44 2HB TRP 7 HB3 TRP 7 -10.695 -1.718 9.768 45 HD1 TRP 7 HD1 TRP 7 -10.737 -4.376 11.116 46 HE1 TRP 7 HE1 TRP 7 -9.188 -6.270 10.410 47 HE3 TRP 7 HE3 TRP 7 -6.812 -1.614 9.306 48 HZ2 TRP 7 HZ2 TRP 7 -6.583 -6.551 9.055 49 HZ3 TRP 7 HZ3 TRP 7 -5.037 -2.730 8.004 50 HH2 TRP 7 HH2 TRP 7 -4.918 -5.181 7.926 51 H LYS 8 H LYS 8 -9.761 1.473 8.704 52 HA LYS 8 HA LYS 8 -11.964 2.483 10.367 53 1HB LYS 8 HB2 LYS 8 -9.680 4.228 9.331 54 2HB LYS 8 HB3 LYS 8 -11.156 4.816 10.111 55 1HG LYS 8 HG2 LYS 8 -10.467 3.587 12.214 56 2HG LYS 8 HG3 LYS 8 -8.972 3.117 11.391 57 1HD LYS 8 HD2 LYS 8 -8.374 4.974 12.695 58 2HD LYS 8 HD3 LYS 8 -8.447 5.549 11.025 59 1HE LYS 8 HE2 LYS 8 -10.792 6.446 11.547 60 2HE LYS 8 HE3 LYS 8 -10.520 5.972 13.232 61 1HZ LYS 8 HZ3 LYS 8 -8.598 7.440 13.209 62 2HZ LYS 8 HZ1 LYS 8 -8.941 7.872 11.650 63 3HZ LYS 8 HZ2 LYS 8 -9.991 8.250 12.862 64 H GLU 9 H GLU 9 -12.930 4.499 8.864 65 HA GLU 9 HA GLU 9 -12.495 3.900 6.068 66 1HB GLU 9 HB2 GLU 9 -15.395 4.153 6.744 67 2HB GLU 9 HB3 GLU 9 -14.605 3.430 5.353 68 1HG GLU 9 HG2 GLU 9 -15.633 1.653 6.555 69 2HG GLU 9 HG3 GLU 9 -13.921 1.488 6.970 70 HE2 GLU 9 HE GLU 9 -14.785 1.699 10.319 71 H ALA 10 H ALA 10 -13.242 5.449 4.683 72 HA ALA 10 HA ALA 10 -14.053 8.118 5.713 73 1HB ALA 10 HB1 ALA 10 -11.592 7.981 5.039 74 2HB ALA 10 HB2 ALA 10 -12.129 7.543 3.398 75 3HB ALA 10 HB3 ALA 10 -12.553 9.127 4.121 76 H THR 11 H THR 11 -14.253 8.968 2.797 77 HA THR 11 HA THR 11 -16.135 7.011 1.674 78 HB THR 11 HB THR 11 -17.814 8.704 1.236 79 HG1 THR 11 HG1 THR 11 -17.535 10.786 2.253 80 1HG2 THR 11 HG22 THR 11 -18.000 7.477 3.392 81 2HG2 THR 11 HG23 THR 11 -17.149 8.810 4.205 82 3HG2 THR 11 HG21 THR 11 -18.722 9.091 3.443 83 H LEU 12 H LEU 12 -16.717 7.666 -0.606 84 HA LEU 12 HA LEU 12 -14.659 7.553 -2.237 85 1HB LEU 12 HB2 LEU 12 -16.983 7.365 -2.876 86 2HB LEU 12 HB3 LEU 12 -17.183 9.104 -2.890 87 HG LEU 12 HG LEU 12 -14.948 7.984 -4.574 88 1HD1 LEU 12 HD12 LEU 12 -17.890 7.683 -5.316 89 2HD1 LEU 12 HD13 LEU 12 -16.511 7.395 -6.399 90 3HD1 LEU 12 HD11 LEU 12 -16.751 6.359 -4.986 91 1HD2 LEU 12 HD23 LEU 12 -17.085 10.118 -5.047 92 2HD2 LEU 12 HD21 LEU 12 -15.384 10.417 -4.633 93 3HD2 LEU 12 HD22 LEU 12 -15.799 9.687 -6.186 94 HA PRO 13 HA PRO 13 -13.855 12.159 -3.207 95 1HB PRO 13 HB2 PRO 13 -14.531 14.083 -1.318 96 2HB PRO 13 HB3 PRO 13 -15.547 13.629 -2.717 97 1HG PRO 13 HG2 PRO 13 -15.735 12.573 0.120 98 2HG PRO 13 HG3 PRO 13 -17.059 13.207 -0.902 99 1HD PRO 13 HD2 PRO 13 -16.674 10.574 -0.718 100 2HD PRO 13 HD3 PRO 13 -16.974 11.293 -2.323 101 H GLN 14 H GLN 14 -13.755 10.878 0.112 102 HA GLN 14 HA GLN 14 -11.415 12.364 0.894 103 1HB GLN 14 HB2 GLN 14 -12.410 9.776 2.052 104 2HB GLN 14 HB3 GLN 14 -11.343 10.964 2.809 105 1HG GLN 14 HG2 GLN 14 -14.295 11.320 2.147 106 2HG GLN 14 HG3 GLN 14 -13.550 11.304 3.748 107 1HE2 GLN 14 HE22 GLN 14 -12.132 14.652 3.293 108 2HE2 GLN 14 HE21 GLN 14 -11.617 13.075 3.865 109 H VAL 15 H VAL 15 -11.974 9.473 -1.045 110 HA VAL 15 HA VAL 15 -9.353 8.310 -0.739 111 HB VAL 15 HB VAL 15 -11.163 8.329 -3.198 112 1HG1 VAL 15 HG13 VAL 15 -8.796 6.599 -2.417 113 2HG1 VAL 15 HG11 VAL 15 -9.953 6.186 -3.705 114 3HG1 VAL 15 HG12 VAL 15 -8.970 7.645 -3.835 115 1HG2 VAL 15 HG22 VAL 15 -11.026 6.346 -0.891 116 2HG2 VAL 15 HG23 VAL 15 -12.388 7.414 -1.257 117 3HG2 VAL 15 HG21 VAL 15 -11.949 6.152 -2.406 118 H LYS 16 H LYS 16 -10.769 10.626 -3.061 119 HA LYS 16 HA LYS 16 -8.359 11.225 -4.465 120 1HB LYS 16 HB2 LYS 16 -10.860 12.924 -4.070 121 2HB LYS 16 HB3 LYS 16 -9.558 13.236 -5.231 122 1HG LYS 16 HG2 LYS 16 -9.979 11.037 -6.306 123 2HG LYS 16 HG3 LYS 16 -11.313 10.739 -5.173 124 1HD LYS 16 HD2 LYS 16 -12.507 12.735 -6.024 125 2HD LYS 16 HD3 LYS 16 -11.146 13.106 -7.096 126 1HE LYS 16 HE2 LYS 16 -12.939 12.013 -8.355 127 2HE LYS 16 HE3 LYS 16 -11.494 10.990 -8.328 128 1HZ LYS 16 HZ2 LYS 16 -13.836 10.679 -6.578 129 2HZ LYS 16 HZ3 LYS 16 -13.509 9.767 -7.911 130 3HZ LYS 16 HZ1 LYS 16 -12.513 9.698 -6.602 131 H ALA 17 H ALA 17 -9.998 12.878 -1.721 132 HA ALA 17 HA ALA 17 -8.205 14.957 -1.305 133 1HB ALA 17 HB3 ALA 17 -10.373 14.542 -0.056 134 2HB ALA 17 HB1 ALA 17 -9.499 13.370 0.953 135 3HB ALA 17 HB2 ALA 17 -9.012 15.066 0.956 136 H MET 18 H MET 18 -8.029 11.711 0.277 137 HA MET 18 HA MET 18 -5.569 12.152 1.590 138 1HB MET 18 HB2 MET 18 -6.966 9.627 0.700 139 2HB MET 18 HB3 MET 18 -5.425 9.610 1.573 140 1HG MET 18 HG2 MET 18 -6.356 10.913 3.411 141 2HG MET 18 HG3 MET 18 -7.934 10.979 2.621 142 1HE MET 18 HE3 MET 18 -8.410 8.145 1.534 143 2HE MET 18 HE1 MET 18 -9.192 7.327 2.911 144 3HE MET 18 HE2 MET 18 -9.602 9.019 2.520 145 H LEU 19 H LEU 19 -6.219 10.612 -1.635 146 HA LEU 19 HA LEU 19 -3.513 10.087 -2.262 147 1HB LEU 19 HB2 LEU 19 -5.836 10.806 -4.068 148 2HB LEU 19 HB3 LEU 19 -4.271 10.274 -4.678 149 HG LEU 19 HG LEU 19 -5.891 8.583 -2.727 150 1HD1 LEU 19 HD13 LEU 19 -7.251 9.016 -4.750 151 2HD1 LEU 19 HD11 LEU 19 -5.897 8.511 -5.779 152 3HD1 LEU 19 HD12 LEU 19 -6.686 7.332 -4.710 153 1HD2 LEU 19 HD23 LEU 19 -3.438 8.008 -3.043 154 2HD2 LEU 19 HD21 LEU 19 -4.565 6.739 -3.539 155 3HD2 LEU 19 HD22 LEU 19 -3.792 7.760 -4.758 156 H GLU 20 H GLU 20 -5.344 13.146 -2.734 157 HA GLU 20 HA GLU 20 -3.173 14.499 -4.056 158 1HB GLU 20 HB2 GLU 20 -5.328 15.762 -2.310 159 2HB GLU 20 HB3 GLU 20 -4.272 16.557 -3.472 160 1HG GLU 20 HG2 GLU 20 -6.803 15.101 -3.952 161 2HG GLU 20 HG3 GLU 20 -6.085 16.449 -4.794 162 HE2 GLU 20 HE GLU 20 -6.284 13.074 -4.642 163 H LYS 21 H LYS 21 -3.818 13.778 -0.652 164 HA LYS 21 HA LYS 21 -1.837 15.700 0.320 165 1HB LYS 21 HB2 LYS 21 -3.349 13.463 1.706 166 2HB LYS 21 HB3 LYS 21 -2.365 14.658 2.526 167 1HG LYS 21 HG2 LYS 21 -4.481 15.816 0.745 168 2HG LYS 21 HG3 LYS 21 -5.076 14.828 2.073 169 1HD LYS 21 HD2 LYS 21 -4.972 17.131 2.767 170 2HD LYS 21 HD3 LYS 21 -3.817 16.168 3.703 171 1HE LYS 21 HE2 LYS 21 -1.951 17.006 2.298 172 2HE LYS 21 HE3 LYS 21 -3.099 17.874 1.260 173 1HZ LYS 21 HZ1 LYS 21 -3.690 19.205 3.153 174 2HZ LYS 21 HZ2 LYS 21 -2.622 18.392 4.110 175 3HZ LYS 21 HZ3 LYS 21 -2.073 19.302 2.851 176 H ASP 22 H ASP 22 -1.375 12.825 -1.350 177 HA ASP 22 HA ASP 22 0.584 11.570 0.321 178 1HB ASP 22 HB2 ASP 22 1.137 10.244 -1.457 179 2HB ASP 22 HB3 ASP 22 -0.517 10.660 -1.889 180 HD2 ASP 22 HD ASP 22 -0.731 12.150 -3.640 181 H THR 23 H THR 23 2.886 11.824 0.419 182 HA THR 23 HA THR 23 3.924 14.421 -0.637 183 HB THR 23 HB THR 23 5.545 14.150 1.279 184 HG1 THR 23 HG1 THR 23 4.923 12.755 2.912 185 1HG2 THR 23 HG23 THR 23 3.554 15.628 1.397 186 2HG2 THR 23 HG21 THR 23 2.579 14.269 1.996 187 3HG2 THR 23 HG22 THR 23 3.926 14.894 2.966 188 H GLY 24 H GLY 24 3.826 12.066 -2.361 189 1HA GLY 24 HA2 GLY 24 6.676 11.159 -2.558 190 2HA GLY 24 HA3 GLY 24 5.239 10.440 -3.279 191 H LYS 25 H LYS 25 7.894 12.414 -3.869 192 HA LYS 25 HA LYS 25 6.763 13.994 -6.082 193 1HB LYS 25 HB2 LYS 25 9.608 13.458 -5.144 194 2HB LYS 25 HB3 LYS 25 9.156 14.616 -6.400 195 1HG LYS 25 HG2 LYS 25 7.917 15.979 -4.850 196 2HG LYS 25 HG3 LYS 25 8.078 14.808 -3.538 197 1HD LYS 25 HD2 LYS 25 10.486 16.142 -4.843 198 2HD LYS 25 HD3 LYS 25 9.627 16.823 -3.450 199 1HE LYS 25 HE2 LYS 25 10.057 14.757 -2.140 200 2HE LYS 25 HE3 LYS 25 10.969 14.071 -3.493 201 1HZ LYS 25 HZ2 LYS 25 11.653 16.560 -2.106 202 2HZ LYS 25 HZ3 LYS 25 12.348 15.091 -1.839 203 3HZ LYS 25 HZ1 LYS 25 12.523 15.836 -3.306 204 H VAL 26 H VAL 26 7.186 13.489 -8.313 205 HA VAL 26 HA VAL 26 7.377 10.646 -8.869 206 HB VAL 26 HB VAL 26 7.335 12.999 -10.804 207 1HG1 VAL 26 HG13 VAL 26 6.667 10.042 -11.145 208 2HG1 VAL 26 HG11 VAL 26 6.333 11.299 -12.353 209 3HG1 VAL 26 HG12 VAL 26 8.001 10.921 -11.922 210 1HG2 VAL 26 HG21 VAL 26 5.081 11.434 -9.492 211 2HG2 VAL 26 HG22 VAL 26 5.361 13.182 -9.402 212 3HG2 VAL 26 HG23 VAL 26 4.860 12.457 -10.931 213 H SER 27 H SER 27 9.091 9.537 -9.966 214 HA SER 27 HA SER 27 11.535 11.020 -10.731 215 1HB SER 27 HB2 SER 27 11.546 8.768 -8.692 216 2HB SER 27 HB3 SER 27 12.956 9.625 -9.340 217 HG SER 27 HG SER 27 11.388 11.512 -8.448 218 H GLY 28 H GLY 28 10.175 10.229 -12.709 219 1HA GLY 28 HA2 GLY 28 10.117 8.816 -14.542 220 2HA GLY 28 HA3 GLY 28 11.526 7.958 -13.881 221 H ASP 29 H ASP 29 10.806 5.781 -13.961 222 HA ASP 29 HA ASP 29 8.105 5.070 -13.023 223 1HB ASP 29 HB2 ASP 29 9.146 3.828 -14.908 224 2HB ASP 29 HB3 ASP 29 10.428 3.268 -13.810 225 HD2 ASP 29 HD ASP 29 8.406 0.513 -13.354 226 H THR 30 H THR 30 9.196 6.462 -11.009 227 HA THR 30 HA THR 30 9.277 4.652 -8.821 228 HB THR 30 HB THR 30 11.837 6.068 -9.715 229 HG1 THR 30 HG1 THR 30 11.404 3.835 -10.225 230 1HG2 THR 30 HG23 THR 30 11.322 5.070 -6.907 231 2HG2 THR 30 HG21 THR 30 12.879 5.564 -7.603 232 3HG2 THR 30 HG22 THR 30 11.589 6.757 -7.398 233 H VAL 31 H VAL 31 9.035 5.903 -6.846 234 HA VAL 31 HA VAL 31 8.341 8.770 -7.202 235 HB VAL 31 HB VAL 31 6.873 6.599 -5.641 236 1HG1 VAL 31 HG11 VAL 31 6.412 9.612 -5.573 237 2HG1 VAL 31 HG12 VAL 31 5.355 8.389 -4.848 238 3HG1 VAL 31 HG13 VAL 31 6.990 8.619 -4.213 239 1HG2 VAL 31 HG21 VAL 31 6.242 6.792 -8.024 240 2HG2 VAL 31 HG22 VAL 31 4.924 7.356 -6.984 241 3HG2 VAL 31 HG23 VAL 31 5.952 8.531 -7.824 242 H THR 32 H THR 32 8.980 10.031 -5.325 243 HA THR 32 HA THR 32 10.947 8.711 -3.537 244 HB THR 32 HB THR 32 11.351 11.191 -5.258 245 HG1 THR 32 HG1 THR 32 12.084 9.781 -6.559 246 1HG2 THR 32 HG22 THR 32 13.173 9.937 -3.154 247 2HG2 THR 32 HG23 THR 32 13.677 11.151 -4.348 248 3HG2 THR 32 HG21 THR 32 12.464 11.562 -3.128 249 H TYR 33 H TYR 33 10.621 9.234 -1.513 250 HA TYR 33 HA TYR 33 8.871 11.557 -0.833 251 1HB TYR 33 HB2 TYR 33 9.630 8.951 0.524 252 2HB TYR 33 HB3 TYR 33 8.971 10.316 1.413 253 HD1 TYR 33 HD2 TYR 33 8.172 7.917 -1.360 254 HD2 TYR 33 HD1 TYR 33 6.718 11.011 1.264 255 HE1 TYR 33 HE2 TYR 33 5.830 7.440 -2.065 256 HE2 TYR 33 HE1 TYR 33 4.409 10.419 0.688 257 HH TYR 33 HH TYR 33 3.064 9.027 -0.465 258 H SER 34 H SER 34 9.522 12.679 1.255 259 HA SER 34 HA SER 34 12.325 12.743 1.970 260 1HB SER 34 HB2 SER 34 11.044 15.123 0.551 261 2HB SER 34 HB3 SER 34 12.584 15.167 1.427 262 HG SER 34 HG SER 34 12.608 13.112 -0.313 263 H GLY 35 H GLY 35 12.573 14.213 3.862 264 1HA GLY 35 HA2 GLY 35 11.859 15.186 5.820 265 2HA GLY 35 HA3 GLY 35 10.224 15.353 5.153 266 H LYS 36 H LYS 36 10.124 14.658 7.677 267 HA LYS 36 HA LYS 36 10.307 11.780 8.112 268 1HB LYS 36 HB2 LYS 36 9.022 13.920 9.801 269 2HB LYS 36 HB3 LYS 36 9.312 12.271 10.306 270 1HG LYS 36 HG2 LYS 36 11.498 14.264 9.524 271 2HG LYS 36 HG3 LYS 36 10.964 13.978 11.169 272 1HD LYS 36 HD2 LYS 36 12.222 11.868 9.348 273 2HD LYS 36 HD3 LYS 36 13.079 12.796 10.566 274 1HE LYS 36 HE2 LYS 36 10.786 10.866 11.199 275 2HE LYS 36 HE3 LYS 36 12.510 10.531 11.366 276 1HZ LYS 36 HZ2 LYS 36 12.642 12.317 12.945 277 2HZ LYS 36 HZ3 LYS 36 11.023 12.607 12.804 278 3HZ LYS 36 HZ1 LYS 36 11.553 11.174 13.417 279 H THR 37 H THR 37 7.768 14.121 7.239 280 HA THR 37 HA THR 37 5.593 12.336 7.765 281 HB THR 37 HB THR 37 5.556 14.855 6.061 282 HG1 THR 37 HG1 THR 37 5.567 14.621 8.886 283 1HG2 THR 37 HG22 THR 37 3.560 13.579 7.999 284 2HG2 THR 37 HG23 THR 37 3.319 15.098 7.105 285 3HG2 THR 37 HG21 THR 37 3.440 13.559 6.229 286 H VAL 38 H VAL 38 6.618 10.557 6.518 287 HA VAL 38 HA VAL 38 6.436 10.675 3.570 288 HB VAL 38 HB VAL 38 7.388 8.581 5.534 289 1HG1 VAL 38 HG12 VAL 38 7.216 8.517 2.493 290 2HG1 VAL 38 HG13 VAL 38 8.326 7.498 3.404 291 3HG1 VAL 38 HG11 VAL 38 6.579 7.327 3.631 292 1HG2 VAL 38 HG23 VAL 38 8.784 10.596 5.287 293 2HG2 VAL 38 HG21 VAL 38 9.567 9.167 4.593 294 3HG2 VAL 38 HG22 VAL 38 8.814 10.386 3.546 295 H HIS 39 H HIS 39 4.286 10.969 3.086 296 HA HIS 39 HA HIS 39 2.291 9.224 4.356 297 1HB HIS 39 HB2 HIS 39 2.016 11.689 4.267 298 2HB HIS 39 HB3 HIS 39 1.935 11.609 2.507 299 HD1 HIS 39 HD1 HIS 39 -0.584 12.537 2.553 300 HD2 HIS 39 HD2 HIS 39 0.101 8.962 4.690 301 HE1 HIS 39 HE1 HIS 39 -2.899 11.568 3.156 302 HE2 HIS 39 HE2 HIS 39 -2.430 9.372 4.444 303 H VAL 40 H VAL 40 2.387 7.229 3.397 304 HA VAL 40 HA VAL 40 2.572 7.002 0.428 305 HB VAL 40 HB VAL 40 2.885 4.953 2.635 306 1HG1 VAL 40 HG11 VAL 40 3.049 4.693 -0.402 307 2HG1 VAL 40 HG12 VAL 40 3.662 3.481 0.745 308 3HG1 VAL 40 HG13 VAL 40 1.934 3.835 0.676 309 1HG2 VAL 40 HG23 VAL 40 4.871 6.238 0.719 310 2HG2 VAL 40 HG21 VAL 40 4.756 6.530 2.466 311 3HG2 VAL 40 HG22 VAL 40 5.231 4.933 1.870 312 H VAL 41 H VAL 41 0.534 7.635 -0.228 313 HA VAL 41 HA VAL 41 -1.808 6.375 0.996 314 HB VAL 41 HB VAL 41 -1.781 8.334 -1.307 315 1HG1 VAL 41 HG11 VAL 41 -3.896 7.049 -0.873 316 2HG1 VAL 41 HG12 VAL 41 -3.840 7.548 0.827 317 3HG1 VAL 41 HG13 VAL 41 -4.080 8.754 -0.440 318 1HG2 VAL 41 HG23 VAL 41 -1.819 8.820 1.695 319 2HG2 VAL 41 HG21 VAL 41 -0.564 9.370 0.570 320 3HG2 VAL 41 HG22 VAL 41 -2.184 10.044 0.470 321 H ALA 42 H ALA 42 -2.146 4.295 0.410 322 HA ALA 42 HA ALA 42 -1.654 3.483 -2.438 323 1HB ALA 42 HB2 ALA 42 -1.326 1.882 0.125 324 2HB ALA 42 HB3 ALA 42 -1.122 1.261 -1.528 325 3HB ALA 42 HB1 ALA 42 -0.025 2.512 -0.906 326 H ALA 43 H ALA 43 -3.542 3.190 -3.504 327 HA ALA 43 HA ALA 43 -5.914 2.268 -2.010 328 1HB ALA 43 HB2 ALA 43 -6.199 4.152 -3.562 329 2HB ALA 43 HB3 ALA 43 -5.624 3.134 -4.903 330 3HB ALA 43 HB1 ALA 43 -7.125 2.719 -4.051 331 H ALA 44 H ALA 44 -6.945 0.269 -2.556 332 HA ALA 44 HA ALA 44 -5.325 -1.624 -4.258 333 1HB ALA 44 HB2 ALA 44 -5.295 -2.216 -1.844 334 2HB ALA 44 HB3 ALA 44 -7.063 -2.381 -1.895 335 3HB ALA 44 HB1 ALA 44 -6.050 -3.431 -2.891 336 H VAL 45 H VAL 45 -6.310 -1.689 -6.159 337 HA VAL 45 HA VAL 45 -7.894 -1.626 -7.770 338 HB VAL 45 HB VAL 45 -8.968 -3.893 -6.070 339 1HG1 VAL 45 HG11 VAL 45 -10.330 -3.241 -8.134 340 2HG1 VAL 45 HG12 VAL 45 -8.870 -3.494 -9.096 341 3HG1 VAL 45 HG13 VAL 45 -9.621 -4.853 -8.220 342 1HG2 VAL 45 HG21 VAL 45 -6.663 -3.853 -8.054 343 2HG2 VAL 45 HG22 VAL 45 -6.540 -4.125 -6.305 344 3HG2 VAL 45 HG23 VAL 45 -7.372 -5.308 -7.316 345 H LEU 46 H LEU 46 -8.836 0.448 -7.426 346 HA LEU 46 HA LEU 46 -11.074 0.733 -5.631 347 1HB LEU 46 HB2 LEU 46 -9.982 2.483 -7.865 348 2HB LEU 46 HB3 LEU 46 -11.297 2.991 -6.806 349 HG LEU 46 HG LEU 46 -8.550 2.184 -5.769 350 1HD1 LEU 46 HD12 LEU 46 -9.632 4.957 -6.434 351 2HD1 LEU 46 HD13 LEU 46 -8.103 4.621 -5.596 352 3HD1 LEU 46 HD11 LEU 46 -8.318 4.108 -7.277 353 1HD2 LEU 46 HD21 LEU 46 -10.877 3.742 -4.535 354 2HD2 LEU 46 HD22 LEU 46 -10.332 2.120 -4.043 355 3HD2 LEU 46 HD23 LEU 46 -9.295 3.524 -3.776 356 HA PRO 47 HA PRO 47 -14.508 -0.607 -8.171 357 1HB PRO 47 HB2 PRO 47 -15.630 2.108 -7.398 358 2HB PRO 47 HB3 PRO 47 -16.478 0.536 -7.475 359 1HG PRO 47 HG2 PRO 47 -15.596 1.476 -5.090 360 2HG PRO 47 HG3 PRO 47 -15.311 -0.242 -5.515 361 1HD PRO 47 HD2 PRO 47 -13.370 2.067 -5.657 362 2HD PRO 47 HD3 PRO 47 -13.132 0.386 -5.078 363 H GLY 48 H GLY 48 -14.079 -0.619 -10.324 364 1HA GLY 48 HA2 GLY 48 -14.662 0.805 -12.404 365 2HA GLY 48 HA3 GLY 48 -13.431 1.913 -11.769 366 H PHE 49 H PHE 49 -11.665 -0.050 -10.634 367 HA PHE 49 HA PHE 49 -10.316 -0.938 -13.109 368 1HB PHE 49 HB2 PHE 49 -9.473 -0.871 -10.200 369 2HB PHE 49 HB3 PHE 49 -8.487 -1.513 -11.507 370 HD1 PHE 49 HD1 PHE 49 -7.524 -0.046 -13.248 371 HD2 PHE 49 HD2 PHE 49 -9.932 1.577 -10.061 372 HE1 PHE 49 HE1 PHE 49 -6.773 2.241 -13.838 373 HE2 PHE 49 HE2 PHE 49 -9.173 3.861 -10.651 374 HZ PHE 49 HZ PHE 49 -7.587 4.197 -12.539 375 HA PRO 50 HA PRO 50 -12.158 -4.991 -12.008 376 1HB PRO 50 HB2 PRO 50 -11.936 -6.280 -14.367 377 2HB PRO 50 HB3 PRO 50 -13.047 -4.897 -14.175 378 1HG PRO 50 HG2 PRO 50 -10.230 -4.829 -15.308 379 2HG PRO 50 HG3 PRO 50 -11.722 -4.187 -16.055 380 1HD PRO 50 HD2 PRO 50 -10.014 -2.629 -14.586 381 2HD PRO 50 HD3 PRO 50 -11.784 -2.365 -14.575 382 H PHE 51 H PHE 51 -10.003 -4.689 -10.666 383 HA PHE 51 HA PHE 51 -8.141 -5.651 -9.784 384 1HB PHE 51 HB2 PHE 51 -9.175 -7.933 -11.453 385 2HB PHE 51 HB3 PHE 51 -7.517 -8.021 -10.991 386 HD1 PHE 51 HD2 PHE 51 -10.771 -6.996 -9.344 387 HD2 PHE 51 HD1 PHE 51 -7.201 -9.417 -9.146 388 HE1 PHE 51 HE2 PHE 51 -11.496 -7.911 -7.155 389 HE2 PHE 51 HE1 PHE 51 -7.966 -10.358 -7.004 390 HZ PHE 51 HZ PHE 51 -10.084 -9.562 -5.967 391 HA PRO 52 HA PRO 52 -6.323 -6.878 -9.356 392 1HB PRO 52 HB2 PRO 52 -3.999 -8.086 -9.629 393 2HB PRO 52 HB3 PRO 52 -5.293 -8.530 -10.772 394 1HG PRO 52 HG2 PRO 52 -2.981 -6.626 -11.258 395 2HG PRO 52 HG3 PRO 52 -3.584 -7.924 -12.317 396 1HD PRO 52 HD2 PRO 52 -4.337 -5.214 -12.514 397 2HD PRO 52 HD3 PRO 52 -5.293 -6.584 -13.118 398 H SER 53 H SER 53 -4.184 -4.385 -10.628 399 HA SER 53 HA SER 53 -2.130 -4.498 -8.783 400 1HB SER 53 HB2 SER 53 -1.916 -2.062 -9.967 401 2HB SER 53 HB3 SER 53 -1.529 -3.609 -10.751 402 HG SER 53 HG SER 53 -2.905 -2.539 -12.106 403 H PHE 54 H PHE 54 -1.342 -3.182 -7.208 404 HA PHE 54 HA PHE 54 -3.112 -1.632 -5.495 405 1HB PHE 54 HB2 PHE 54 -0.068 -1.992 -5.696 406 2HB PHE 54 HB3 PHE 54 -0.816 -0.876 -4.574 407 HD1 PHE 54 HD2 PHE 54 -2.923 -2.061 -3.209 408 HD2 PHE 54 HD1 PHE 54 0.858 -3.780 -4.409 409 HE1 PHE 54 HE2 PHE 54 -3.008 -3.638 -1.285 410 HE2 PHE 54 HE1 PHE 54 0.846 -5.188 -2.382 411 HZ PHE 54 HZ PHE 54 -1.076 -5.075 -0.788 412 H GLU 55 H GLU 55 -3.446 0.558 -5.744 413 HA GLU 55 HA GLU 55 -2.122 1.881 -8.066 414 1HB GLU 55 HB2 GLU 55 -4.781 2.834 -7.123 415 2HB GLU 55 HB3 GLU 55 -4.023 2.662 -8.730 416 1HG GLU 55 HG2 GLU 55 -4.374 0.163 -8.583 417 2HG GLU 55 HG3 GLU 55 -5.311 0.433 -7.109 418 HE1 GLU 55 HE GLU 55 -6.812 1.698 -10.632 419 H VAL 56 H VAL 56 -0.748 3.501 -7.418 420 HA VAL 56 HA VAL 56 -1.086 4.604 -4.640 421 HB VAL 56 HB VAL 56 1.422 3.752 -6.061 422 1HG1 VAL 56 HG11 VAL 56 0.990 4.840 -3.247 423 2HG1 VAL 56 HG12 VAL 56 2.507 4.130 -3.828 424 3HG1 VAL 56 HG13 VAL 56 1.909 5.612 -4.568 425 1HG2 VAL 56 HG23 VAL 56 -0.101 2.462 -3.761 426 2HG2 VAL 56 HG21 VAL 56 0.237 1.750 -5.351 427 3HG2 VAL 56 HG22 VAL 56 1.551 2.026 -4.206 428 H HIS 57 H HIS 57 -2.232 6.292 -5.574 429 HA HIS 57 HA HIS 57 -2.583 8.300 -6.562 430 1HB HIS 57 HB2 HIS 57 -0.705 10.008 -5.918 431 2HB HIS 57 HB3 HIS 57 -1.735 9.269 -4.711 432 HD1 HIS 57 HD1 HIS 57 -0.618 7.275 -3.172 433 HD2 HIS 57 HD2 HIS 57 1.907 9.722 -5.522 434 HE1 HIS 57 HE1 HIS 57 1.708 7.152 -2.127 435 HE2 HIS 57 HE2 HIS 57 3.232 8.637 -3.541 436 H ASP 58 H ASP 58 0.833 8.782 -7.216 437 HA ASP 58 HA ASP 58 0.123 9.684 -9.882 438 1HB ASP 58 HB2 ASP 58 1.931 10.762 -8.631 439 2HB ASP 58 HB3 ASP 58 2.848 9.239 -8.599 440 HD1 ASP 58 HD ASP 58 2.473 11.189 -12.112 441 H LYS 59 H LYS 59 1.047 6.588 -8.551 442 HA LYS 59 HA LYS 59 1.520 5.464 -11.290 443 1HB LYS 59 HB2 LYS 59 3.050 5.021 -8.721 444 2HB LYS 59 HB3 LYS 59 3.374 4.140 -10.224 445 1HG LYS 59 HG2 LYS 59 3.818 7.129 -9.796 446 2HG LYS 59 HG3 LYS 59 5.030 5.853 -9.755 447 1HD LYS 59 HD2 LYS 59 4.325 5.247 -12.152 448 2HD LYS 59 HD3 LYS 59 3.457 6.804 -12.162 449 1HE LYS 59 HE2 LYS 59 5.607 7.937 -11.489 450 2HE LYS 59 HE3 LYS 59 6.427 6.375 -11.554 451 1HZ LYS 59 HZ1 LYS 59 5.840 6.255 -13.883 452 2HZ LYS 59 HZ2 LYS 59 5.163 7.761 -13.808 453 3HZ LYS 59 HZ3 LYS 59 6.781 7.561 -13.519 454 H LYS 60 H LYS 60 1.834 2.946 -10.832 455 HA LYS 60 HA LYS 60 -0.119 1.902 -8.880 456 1HB LYS 60 HB2 LYS 60 0.147 1.117 -11.807 457 2HB LYS 60 HB3 LYS 60 -0.828 0.255 -10.602 458 1HG LYS 60 HG2 LYS 60 -2.298 2.216 -10.352 459 2HG LYS 60 HG3 LYS 60 -1.264 3.179 -11.399 460 1HD LYS 60 HD2 LYS 60 -3.278 2.431 -12.572 461 2HD LYS 60 HD3 LYS 60 -1.792 1.867 -13.341 462 1HE LYS 60 HE2 LYS 60 -3.575 0.132 -13.291 463 2HE LYS 60 HE3 LYS 60 -2.102 -0.376 -12.457 464 1HZ LYS 60 HZ2 LYS 60 -3.162 0.216 -10.390 465 2HZ LYS 60 HZ3 LYS 60 -4.553 0.643 -11.162 466 3HZ LYS 60 HZ1 LYS 60 -4.023 -0.927 -11.198 467 H ASN 61 H ASN 61 0.810 0.292 -7.750 468 HA ASN 61 HA ASN 61 2.547 -0.892 -6.816 469 1HB ASN 61 HB2 ASN 61 2.891 -1.702 -9.728 470 2HB ASN 61 HB3 ASN 61 3.652 -2.523 -8.389 471 1HD2 ASN 61 HD22 ASN 61 -0.362 -3.137 -8.708 472 2HD2 ASN 61 HD21 ASN 61 0.071 -1.436 -8.590 473 HA PRO 62 HA PRO 62 5.840 1.924 -8.805 474 1HB PRO 62 HB2 PRO 62 6.068 4.067 -7.083 475 2HB PRO 62 HB3 PRO 62 4.922 3.973 -8.432 476 1HG PRO 62 HG2 PRO 62 4.432 3.200 -5.523 477 2HG PRO 62 HG3 PRO 62 3.494 4.373 -6.487 478 1HD PRO 62 HD2 PRO 62 2.688 1.774 -6.239 479 2HD PRO 62 HD3 PRO 62 2.616 2.599 -7.824 480 H THR 63 H THR 63 7.908 2.389 -8.189 481 HA THR 63 HA THR 63 9.175 0.968 -6.050 482 HB THR 63 HB THR 63 10.431 3.104 -7.760 483 HG1 THR 63 HG1 THR 63 9.971 2.199 -9.651 484 1HG2 THR 63 HG23 THR 63 11.763 1.472 -6.421 485 2HG2 THR 63 HG21 THR 63 11.114 0.190 -7.497 486 3HG2 THR 63 HG22 THR 63 12.129 1.527 -8.164 487 H LEU 64 H LEU 64 9.386 2.022 -3.949 488 HA LEU 64 HA LEU 64 9.041 5.003 -3.845 489 1HB LEU 64 HB2 LEU 64 8.350 2.754 -1.984 490 2HB LEU 64 HB3 LEU 64 8.768 4.335 -1.323 491 HG LEU 64 HG LEU 64 7.085 5.439 -2.709 492 1HD1 LEU 64 HD13 LEU 64 6.261 2.595 -3.444 493 2HD1 LEU 64 HD11 LEU 64 5.239 4.038 -3.636 494 3HD1 LEU 64 HD12 LEU 64 6.742 3.901 -4.556 495 1HD2 LEU 64 HD22 LEU 64 6.656 4.782 -0.367 496 2HD2 LEU 64 HD23 LEU 64 5.182 4.698 -1.345 497 3HD2 LEU 64 HD21 LEU 64 6.045 3.204 -0.912 498 H GLU 65 H GLU 65 10.916 6.119 -3.801 499 HA GLU 65 HA GLU 65 13.230 5.067 -2.258 500 1HB GLU 65 HB2 GLU 65 12.893 7.719 -3.695 501 2HB GLU 65 HB3 GLU 65 14.342 7.156 -2.851 502 1HG GLU 65 HG2 GLU 65 14.329 5.127 -4.391 503 2HG GLU 65 HG3 GLU 65 13.045 5.919 -5.309 504 HE1 GLU 65 HE GLU 65 13.702 8.326 -5.783 505 H ILE 66 H ILE 66 13.427 5.469 -0.118 506 HA ILE 66 HA ILE 66 11.582 7.442 1.136 507 HB ILE 66 HB ILE 66 12.193 4.544 1.674 508 1HG1 ILE 66 HG12 ILE 66 9.669 6.209 1.256 509 2HG1 ILE 66 HG13 ILE 66 10.359 4.957 0.214 510 1HG2 ILE 66 HG23 ILE 66 12.415 5.741 3.910 511 2HG2 ILE 66 HG21 ILE 66 10.787 6.402 3.670 512 3HG2 ILE 66 HG22 ILE 66 11.043 4.657 3.836 513 1HD1 ILE 66 HD11 ILE 66 9.887 3.299 2.108 514 2HD1 ILE 66 HD12 ILE 66 8.947 4.598 2.876 515 3HD1 ILE 66 HD13 ILE 66 8.473 3.989 1.287 516 HA PRO 67 HA PRO 67 15.290 8.666 3.393 517 1HB PRO 67 HB2 PRO 67 14.213 10.481 5.099 518 2HB PRO 67 HB3 PRO 67 14.402 10.788 3.347 519 1HG PRO 67 HG2 PRO 67 11.916 9.878 4.800 520 2HG PRO 67 HG3 PRO 67 12.048 11.168 3.595 521 1HD PRO 67 HD2 PRO 67 11.233 8.603 3.062 522 2HD PRO 67 HD3 PRO 67 12.107 9.594 1.848 523 H ALA 68 H ALA 68 16.107 7.211 4.765 524 HA ALA 68 HA ALA 68 14.920 5.436 6.496 525 1HB ALA 68 HB2 ALA 68 17.329 5.442 5.827 526 2HB ALA 68 HB3 ALA 68 17.597 6.825 6.906 527 3HB ALA 68 HB1 ALA 68 17.107 5.255 7.579 528 H GLY 69 H GLY 69 14.231 5.334 8.590 529 1HA GLY 69 HA2 GLY 69 13.744 6.008 10.717 530 2HA GLY 69 HA3 GLY 69 14.677 7.487 10.480 531 H ALA 70 H ALA 70 12.743 7.950 7.932 532 HA ALA 70 HA ALA 70 11.031 9.813 9.204 533 1HB ALA 70 HB1 ALA 70 10.850 8.410 6.522 534 2HB ALA 70 HB2 ALA 70 9.907 9.826 7.009 535 3HB ALA 70 HB3 ALA 70 11.673 9.955 6.913 536 H THR 71 H THR 71 8.639 9.833 9.194 537 HA THR 71 HA THR 71 7.634 7.330 10.355 538 HB THR 71 HB THR 71 6.154 9.968 10.097 539 HG1 THR 71 HG1 THR 71 7.065 10.468 12.106 540 1HG2 THR 71 HG21 THR 71 6.087 7.571 12.017 541 2HG2 THR 71 HG22 THR 71 5.155 9.073 12.249 542 3HG2 THR 71 HG23 THR 71 4.853 8.049 10.840 543 H VAL 72 H VAL 72 7.494 5.993 8.554 544 HA VAL 72 HA VAL 72 6.203 6.843 6.072 545 HB VAL 72 HB VAL 72 7.082 4.084 7.023 546 1HG1 VAL 72 HG12 VAL 72 6.209 5.154 4.292 547 2HG1 VAL 72 HG13 VAL 72 6.935 3.559 4.569 548 3HG1 VAL 72 HG11 VAL 72 5.353 3.940 5.260 549 1HG2 VAL 72 HG22 VAL 72 8.956 5.748 6.736 550 2HG2 VAL 72 HG23 VAL 72 8.981 4.418 5.554 551 3HG2 VAL 72 HG21 VAL 72 8.407 6.026 5.085 552 H ASP 73 H ASP 73 4.189 7.426 6.411 553 HA ASP 73 HA ASP 73 2.322 5.791 8.069 554 1HB ASP 73 HB2 ASP 73 2.123 8.600 6.925 555 2HB ASP 73 HB3 ASP 73 0.812 7.738 7.745 556 HD2 ASP 73 HD ASP 73 4.106 9.016 8.399 557 H VAL 74 H VAL 74 1.748 4.097 6.848 558 HA VAL 74 HA VAL 74 1.236 4.395 3.961 559 HB VAL 74 HB VAL 74 1.053 1.954 5.724 560 1HG1 VAL 74 HG11 VAL 74 1.044 2.347 2.685 561 2HG1 VAL 74 HG12 VAL 74 1.130 0.772 3.487 562 3HG1 VAL 74 HG13 VAL 74 -0.319 1.774 3.668 563 1HG2 VAL 74 HG23 VAL 74 3.305 2.873 3.902 564 2HG2 VAL 74 HG21 VAL 74 3.361 2.716 5.675 565 3HG2 VAL 74 HG22 VAL 74 3.177 1.278 4.670 566 H THR 75 H THR 75 -0.600 5.381 3.571 567 HA THR 75 HA THR 75 -3.036 4.976 5.250 568 HB THR 75 HB THR 75 -2.418 6.975 3.051 569 HG1 THR 75 HG1 THR 75 -1.335 7.197 5.082 570 1HG2 THR 75 HG21 THR 75 -4.833 6.716 4.902 571 2HG2 THR 75 HG22 THR 75 -4.496 8.090 3.830 572 3HG2 THR 75 HG23 THR 75 -4.840 6.497 3.143 573 H PHE 76 H PHE 76 -3.796 2.971 4.592 574 HA PHE 76 HA PHE 76 -3.825 2.281 1.764 575 1HB PHE 76 HB2 PHE 76 -5.015 1.096 4.264 576 2HB PHE 76 HB3 PHE 76 -5.711 0.612 2.749 577 HD1 PHE 76 HD2 PHE 76 -3.290 0.382 0.940 578 HD2 PHE 76 HD1 PHE 76 -4.146 -1.125 4.886 579 HE1 PHE 76 HE2 PHE 76 -3.619 -1.834 0.013 580 HE2 PHE 76 HE1 PHE 76 -4.152 -3.421 3.974 581 HZ PHE 76 HZ PHE 76 -4.128 -3.759 1.501 582 H ILE 77 H ILE 77 -5.627 2.131 0.428 583 HA ILE 77 HA ILE 77 -8.298 2.859 1.492 584 HB ILE 77 HB ILE 77 -7.279 3.950 -1.167 585 1HG1 ILE 77 HG12 ILE 77 -8.626 5.966 0.115 586 2HG1 ILE 77 HG13 ILE 77 -8.010 5.132 1.523 587 1HG2 ILE 77 HG23 ILE 77 -9.591 2.930 -1.337 588 2HG2 ILE 77 HG21 ILE 77 -10.066 3.910 0.061 589 3HG2 ILE 77 HG22 ILE 77 -9.608 4.670 -1.478 590 1HD1 ILE 77 HD11 ILE 77 -5.675 5.311 0.527 591 2HD1 ILE 77 HD12 ILE 77 -6.388 6.209 -0.836 592 3HD1 ILE 77 HD13 ILE 77 -6.442 6.889 0.800 593 H ASN 78 H ASN 78 -8.429 0.657 1.813 594 HA ASN 78 HA ASN 78 -8.347 -1.069 -0.642 595 1HB ASN 78 HB2 ASN 78 -6.889 -2.148 0.708 596 2HB ASN 78 HB3 ASN 78 -7.669 -1.804 2.215 597 1HD2 ASN 78 HD22 ASN 78 -10.173 -4.463 1.663 598 2HD2 ASN 78 HD21 ASN 78 -10.113 -2.879 2.379 599 H THR 79 H THR 79 -10.279 -0.787 -1.503 600 HA THR 79 HA THR 79 -12.646 -1.525 0.104 601 HB THR 79 HB THR 79 -12.611 1.024 -1.547 602 HG1 THR 79 HG1 THR 79 -11.729 0.537 0.994 603 1HG2 THR 79 HG21 THR 79 -14.873 -0.146 -1.106 604 2HG2 THR 79 HG22 THR 79 -14.587 0.149 0.608 605 3HG2 THR 79 HG23 THR 79 -14.729 1.504 -0.533 606 H ASN 80 H ASN 80 -11.210 -3.049 -1.643 607 HA ASN 80 HA ASN 80 -12.571 -2.928 -4.250 608 1HB ASN 80 HB2 ASN 80 -10.173 -3.623 -4.040 609 2HB ASN 80 HB3 ASN 80 -10.704 -5.018 -3.082 610 1HD2 ASN 80 HD21 ASN 80 -12.064 -4.801 -7.004 611 2HD2 ASN 80 HD22 ASN 80 -11.662 -3.329 -6.126 612 H LYS 81 H LYS 81 -14.460 -2.839 -2.933 613 HA LYS 81 HA LYS 81 -15.864 -3.839 -1.157 614 1HB LYS 81 HB2 LYS 81 -16.886 -4.093 -4.008 615 2HB LYS 81 HB3 LYS 81 -17.880 -4.066 -2.543 616 1HG LYS 81 HG2 LYS 81 -16.813 -1.819 -1.974 617 2HG LYS 81 HG3 LYS 81 -16.110 -1.815 -3.602 618 1HD LYS 81 HD2 LYS 81 -18.377 -1.991 -4.590 619 2HD LYS 81 HD3 LYS 81 -19.083 -2.022 -2.962 620 1HE LYS 81 HE2 LYS 81 -18.068 0.247 -2.518 621 2HE LYS 81 HE3 LYS 81 -17.483 0.280 -4.183 622 1HZ LYS 81 HZ1 LYS 81 -20.304 -0.001 -3.445 623 2HZ LYS 81 HZ2 LYS 81 -19.578 1.431 -3.788 624 3HZ LYS 81 HZ3 LYS 81 -19.694 0.260 -4.954 625 H GLY 82 H GLY 82 -14.465 -5.786 -0.551 626 1HA GLY 82 HA2 GLY 82 -15.769 -7.980 0.140 627 2HA GLY 82 HA3 GLY 82 -15.492 -8.380 -1.565 628 H PHE 83 H PHE 83 -12.968 -7.280 -2.003 629 HA PHE 83 HA PHE 83 -11.366 -9.415 -0.761 630 1HB PHE 83 HB2 PHE 83 -10.778 -7.402 -2.937 631 2HB PHE 83 HB3 PHE 83 -9.637 -8.607 -2.371 632 HD1 PHE 83 HD1 PHE 83 -10.019 -11.035 -2.769 633 HD2 PHE 83 HD2 PHE 83 -12.739 -8.055 -4.301 634 HE1 PHE 83 HE1 PHE 83 -10.956 -12.696 -4.356 635 HE2 PHE 83 HE2 PHE 83 -13.679 -9.725 -5.868 636 HZ PHE 83 HZ PHE 83 -12.775 -12.039 -5.916 637 H GLY 84 H GLY 84 -10.879 -8.867 1.343 638 1HA GLY 84 HA2 GLY 84 -9.746 -6.322 2.194 639 2HA GLY 84 HA3 GLY 84 -9.746 -7.845 3.069 640 H HIS 85 H HIS 85 -8.273 -6.288 0.185 641 HA HIS 85 HA HIS 85 -6.433 -8.087 -0.492 642 1HB HIS 85 HB2 HIS 85 -6.163 -5.092 -0.658 643 2HB HIS 85 HB3 HIS 85 -4.958 -6.182 -1.295 644 HD2 HIS 85 HD2 HIS 85 -8.472 -4.919 -2.102 645 HE1 HIS 85 HE1 HIS 85 -7.531 -7.762 -5.109 646 HE2 HIS 85 HE2 HIS 85 -9.214 -6.041 -4.359 647 H SER 86 H SER 86 -5.644 -5.807 2.191 648 HA SER 86 HA SER 86 -4.056 -5.989 3.772 649 1HB SER 86 HB2 SER 86 -2.980 -7.946 4.377 650 2HB SER 86 HB3 SER 86 -4.405 -8.578 3.582 651 HG SER 86 HG SER 86 -3.110 -8.888 1.742 652 H PHE 87 H PHE 87 -1.865 -5.247 3.977 653 HA PHE 87 HA PHE 87 -0.263 -5.120 1.485 654 1HB PHE 87 HB2 PHE 87 -1.567 -3.040 1.906 655 2HB PHE 87 HB3 PHE 87 -0.663 -2.754 3.359 656 HD1 PHE 87 HD2 PHE 87 2.011 -2.674 3.006 657 HD2 PHE 87 HD1 PHE 87 -0.912 -2.077 -0.106 658 HE1 PHE 87 HE2 PHE 87 3.549 -1.114 1.838 659 HE2 PHE 87 HE1 PHE 87 0.698 -0.677 -1.349 660 HZ PHE 87 HZ PHE 87 2.902 -0.123 -0.339 661 H ASP 88 H ASP 88 1.538 -6.373 2.207 662 HA ASP 88 HA ASP 88 2.574 -5.885 4.990 663 1HB ASP 88 HB2 ASP 88 2.597 -8.402 3.290 664 2HB ASP 88 HB3 ASP 88 3.561 -8.176 4.756 665 HD1 ASP 88 HD ASP 88 -0.097 -7.663 5.999 666 H ILE 89 H ILE 89 4.636 -5.342 5.270 667 HA ILE 89 HA ILE 89 6.283 -4.853 2.854 668 HB ILE 89 HB ILE 89 6.240 -3.432 5.538 669 1HG1 ILE 89 HG12 ILE 89 5.261 -2.580 2.785 670 2HG1 ILE 89 HG13 ILE 89 4.256 -2.916 4.202 671 1HG2 ILE 89 HG22 ILE 89 8.515 -3.495 4.536 672 2HG2 ILE 89 HG23 ILE 89 7.855 -2.874 3.011 673 3HG2 ILE 89 HG21 ILE 89 7.852 -1.876 4.483 674 1HD1 ILE 89 HD13 ILE 89 5.414 -1.022 5.404 675 2HD1 ILE 89 HD11 ILE 89 6.163 -0.580 3.848 676 3HD1 ILE 89 HD12 ILE 89 4.407 -0.562 4.024 677 H THR 90 H THR 90 8.219 -5.854 2.733 678 HA THR 90 HA THR 90 9.715 -6.718 5.054 679 HB THR 90 HB THR 90 8.104 -8.443 5.067 680 HG1 THR 90 HG1 THR 90 9.810 -9.585 5.525 681 1HG2 THR 90 HG23 THR 90 8.687 -8.949 2.124 682 2HG2 THR 90 HG21 THR 90 7.737 -10.017 3.176 683 3HG2 THR 90 HG22 THR 90 7.159 -8.391 2.834 684 H LYS 91 H LYS 91 11.185 -8.699 3.384 685 HA LYS 91 HA LYS 91 12.330 -6.826 1.314 686 1HB LYS 91 HB2 LYS 91 13.935 -8.501 3.300 687 2HB LYS 91 HB3 LYS 91 14.586 -7.423 2.049 688 1HG LYS 91 HG2 LYS 91 13.381 -5.512 3.188 689 2HG LYS 91 HG3 LYS 91 13.022 -6.597 4.540 690 1HD LYS 91 HD2 LYS 91 15.798 -5.863 3.493 691 2HD LYS 91 HD3 LYS 91 15.017 -5.162 4.912 692 1HE LYS 91 HE2 LYS 91 14.921 -7.435 5.972 693 2HE LYS 91 HE3 LYS 91 15.817 -8.091 4.588 694 1HZ LYS 91 HZ3 LYS 91 16.777 -6.000 6.405 695 2HZ LYS 91 HZ1 LYS 91 17.252 -7.577 6.403 696 3HZ LYS 91 HZ2 LYS 91 17.605 -6.610 5.117 697 H LYS 92 H LYS 92 10.511 -8.771 0.707 698 HA LYS 92 HA LYS 92 12.025 -11.098 -0.355 699 1HB LYS 92 HB2 LYS 92 9.082 -10.345 -0.304 700 2HB LYS 92 HB3 LYS 92 9.712 -11.799 -1.073 701 1HG LYS 92 HG2 LYS 92 9.948 -11.075 1.894 702 2HG LYS 92 HG3 LYS 92 8.780 -12.180 1.180 703 1HD LYS 92 HD2 LYS 92 11.815 -12.564 1.303 704 2HD LYS 92 HD3 LYS 92 10.607 -13.416 2.243 705 1HE LYS 92 HE2 LYS 92 11.040 -13.647 -0.769 706 2HE LYS 92 HE3 LYS 92 11.346 -14.866 0.472 707 1HZ LYS 92 HZ3 LYS 92 8.968 -14.839 0.949 708 2HZ LYS 92 HZ1 LYS 92 8.728 -13.811 -0.315 709 3HZ LYS 92 HZ2 LYS 92 9.311 -15.325 -0.594 710 H GLY 93 H GLY 93 13.112 -10.693 -2.231 711 1HA GLY 93 HA2 GLY 93 12.162 -8.726 -4.176 712 2HA GLY 93 HA3 GLY 93 13.488 -9.890 -4.388 713 HA PRO 94 HA PRO 94 9.472 -11.499 -6.419 714 1HB PRO 94 HB2 PRO 94 9.993 -10.956 -9.078 715 2HB PRO 94 HB3 PRO 94 9.134 -9.821 -8.003 716 1HG PRO 94 HG2 PRO 94 12.081 -9.825 -8.699 717 2HG PRO 94 HG3 PRO 94 10.946 -8.444 -8.753 718 1HD PRO 94 HD2 PRO 94 12.586 -8.858 -6.624 719 2HD PRO 94 HD3 PRO 94 10.909 -8.291 -6.373 720 HA PRO 95 HA PRO 95 8.652 -12.977 -8.181 721 1HB PRO 95 HB2 PRO 95 8.094 -15.628 -8.326 722 2HB PRO 95 HB3 PRO 95 9.021 -14.798 -9.608 723 1HG PRO 95 HG2 PRO 95 10.136 -16.374 -7.264 724 2HG PRO 95 HG3 PRO 95 10.523 -16.585 -8.999 725 1HD PRO 95 HD2 PRO 95 12.081 -15.059 -7.341 726 2HD PRO 95 HD3 PRO 95 11.796 -14.573 -9.036 727 H TYR 96 H TYR 96 6.705 -13.894 -7.031 728 HA TYR 96 HA TYR 96 7.203 -14.325 -4.111 729 1HB TYR 96 HB2 TYR 96 4.857 -13.001 -5.480 730 2HB TYR 96 HB3 TYR 96 5.058 -13.232 -3.754 731 HD1 TYR 96 HD2 TYR 96 6.848 -12.003 -2.517 732 HD2 TYR 96 HD1 TYR 96 5.957 -11.180 -6.654 733 HE1 TYR 96 HE2 TYR 96 8.142 -9.917 -2.386 734 HE2 TYR 96 HE1 TYR 96 7.432 -9.199 -6.570 735 HH TYR 96 HH TYR 96 9.377 -8.447 -3.660 736 H ALA 97 H ALA 97 5.652 -15.733 -3.080 737 HA ALA 97 HA ALA 97 4.992 -18.015 -4.797 738 1HB ALA 97 HB1 ALA 97 6.038 -18.380 -2.583 739 2HB ALA 97 HB2 ALA 97 4.630 -17.634 -1.792 740 3HB ALA 97 HB3 ALA 97 4.443 -19.150 -2.689 741 H VAL 98 H VAL 98 2.921 -19.000 -4.845 742 HA VAL 98 HA VAL 98 0.732 -17.151 -5.184 743 HB VAL 98 HB VAL 98 0.941 -20.184 -5.253 744 1HG1 VAL 98 HG11 VAL 98 -1.446 -18.431 -5.987 745 2HG1 VAL 98 HG12 VAL 98 -1.277 -20.151 -6.378 746 3HG1 VAL 98 HG13 VAL 98 -1.388 -19.646 -4.690 747 1HG2 VAL 98 HG22 VAL 98 2.139 -18.980 -7.069 748 2HG2 VAL 98 HG23 VAL 98 0.730 -19.848 -7.694 749 3HG2 VAL 98 HG21 VAL 98 0.652 -18.092 -7.457 750 H MET 99 H MET 99 1.778 -19.379 -2.599 751 HA MET 99 HA MET 99 -0.712 -19.053 -1.120 752 1HB MET 99 HB2 MET 99 1.978 -20.334 -0.483 753 2HB MET 99 HB3 MET 99 0.670 -20.218 0.696 754 1HG MET 99 HG2 MET 99 0.550 -22.375 -0.287 755 2HG MET 99 HG3 MET 99 -0.844 -21.446 -0.841 756 1HE MET 99 HE2 MET 99 -1.394 -23.280 -2.627 757 2HE MET 99 HE3 MET 99 -0.205 -23.923 -3.783 758 3HE MET 99 HE1 MET 99 -0.011 -24.242 -2.043 759 HA PRO 100 HA PRO 100 -0.085 -15.245 1.016 760 1HB PRO 100 HB2 PRO 100 -0.137 -16.985 3.510 761 2HB PRO 100 HB3 PRO 100 -0.838 -15.353 3.299 762 1HG PRO 100 HG2 PRO 100 -2.441 -17.486 2.963 763 2HG PRO 100 HG3 PRO 100 -2.452 -16.201 1.716 764 1HD PRO 100 HD2 PRO 100 -1.049 -18.876 1.626 765 2HD PRO 100 HD3 PRO 100 -1.960 -18.018 0.348 766 H VAL 101 H VAL 101 1.840 -14.196 0.890 767 HA VAL 101 HA VAL 101 4.310 -15.644 1.535 768 HB VAL 101 HB VAL 101 4.036 -12.885 0.283 769 1HG1 VAL 101 HG13 VAL 101 6.119 -15.113 0.042 770 2HG1 VAL 101 HG11 VAL 101 6.154 -13.571 -0.832 771 3HG1 VAL 101 HG12 VAL 101 6.329 -13.589 0.920 772 1HG2 VAL 101 HG23 VAL 101 3.849 -15.588 -1.093 773 2HG2 VAL 101 HG21 VAL 101 2.606 -14.319 -1.089 774 3HG2 VAL 101 HG22 VAL 101 4.130 -14.053 -1.920 775 H ILE 102 H ILE 102 3.125 -15.366 3.830 776 HA ILE 102 HA ILE 102 4.087 -12.892 5.169 777 HB ILE 102 HB ILE 102 3.136 -14.156 7.224 778 1HG1 ILE 102 HG12 ILE 102 0.915 -15.157 6.706 779 2HG1 ILE 102 HG13 ILE 102 1.272 -15.099 4.979 780 1HG2 ILE 102 HG21 ILE 102 2.536 -11.908 6.417 781 2HG2 ILE 102 HG22 ILE 102 1.432 -12.652 5.246 782 3HG2 ILE 102 HG23 ILE 102 1.115 -12.798 6.984 783 1HD1 ILE 102 HD13 ILE 102 2.767 -16.741 7.061 784 2HD1 ILE 102 HD11 ILE 102 1.542 -17.344 5.921 785 3HD1 ILE 102 HD12 ILE 102 3.091 -16.749 5.309 786 H ASP 103 H ASP 103 6.099 -12.992 5.077 787 HA ASP 103 HA ASP 103 7.734 -15.316 5.979 788 1HB ASP 103 HB2 ASP 103 8.952 -12.711 5.031 789 2HB ASP 103 HB3 ASP 103 9.460 -14.391 4.724 790 HD1 ASP 103 HD ASP 103 6.481 -12.639 2.692 791 HA PRO 104 HA PRO 104 9.012 -12.460 9.516 792 1HB PRO 104 HB2 PRO 104 11.515 -11.631 8.037 793 2HB PRO 104 HB3 PRO 104 11.306 -12.053 9.758 794 1HG PRO 104 HG2 PRO 104 12.400 -13.851 8.057 795 2HG PRO 104 HG3 PRO 104 11.144 -14.401 9.210 796 1HD PRO 104 HD2 PRO 104 10.791 -13.574 6.325 797 2HD PRO 104 HD3 PRO 104 10.221 -15.089 7.102 798 H ILE 105 H ILE 105 7.159 -11.242 8.823 799 HA ILE 105 HA ILE 105 7.458 -9.031 6.948 800 HB ILE 105 HB ILE 105 5.266 -9.793 8.903 801 1HG1 ILE 105 HG12 ILE 105 5.272 -11.354 7.098 802 2HG1 ILE 105 HG13 ILE 105 3.981 -10.198 6.782 803 1HG2 ILE 105 HG21 ILE 105 5.293 -7.505 6.905 804 2HG2 ILE 105 HG22 ILE 105 3.849 -8.114 7.733 805 3HG2 ILE 105 HG23 ILE 105 5.150 -7.388 8.670 806 1HD1 ILE 105 HD11 ILE 105 5.665 -8.972 5.227 807 2HD1 ILE 105 HD12 ILE 105 6.660 -10.440 5.385 808 3HD1 ILE 105 HD13 ILE 105 5.041 -10.546 4.690 809 H VAL 106 H VAL 106 7.862 -6.910 7.357 810 HA VAL 106 HA VAL 106 8.961 -6.314 10.061 811 HB VAL 106 HB VAL 106 9.045 -4.738 7.444 812 1HG1 VAL 106 HG12 VAL 106 10.418 -4.250 10.131 813 2HG1 VAL 106 HG13 VAL 106 10.688 -3.329 8.637 814 3HG1 VAL 106 HG11 VAL 106 9.119 -3.253 9.451 815 1HG2 VAL 106 HG23 VAL 106 11.193 -6.325 8.905 816 2HG2 VAL 106 HG21 VAL 106 10.434 -6.784 7.370 817 3HG2 VAL 106 HG22 VAL 106 11.432 -5.327 7.456 818 H ALA 107 H ALA 107 7.129 -4.293 7.804 819 HA ALA 107 HA ALA 107 5.100 -3.733 9.940 820 1HB ALA 107 HB2 ALA 107 5.910 -2.017 7.544 821 2HB ALA 107 HB3 ALA 107 4.598 -1.662 8.693 822 3HB ALA 107 HB1 ALA 107 6.280 -1.684 9.249 823 H GLY 108 H GLY 108 2.819 -3.833 9.194 824 1HA GLY 108 HA2 GLY 108 2.200 -4.303 6.530 825 2HA GLY 108 HA3 GLY 108 2.398 -5.914 7.288 826 H THR 109 H THR 109 0.007 -5.227 6.226 827 HA THR 109 HA THR 109 -1.796 -4.825 8.604 828 HB THR 109 HB THR 109 -3.437 -4.178 6.696 829 HG1 THR 109 HG1 THR 109 -0.961 -3.817 5.359 830 1HG2 THR 109 HG22 THR 109 -1.079 -2.410 7.417 831 2HG2 THR 109 HG23 THR 109 -2.595 -1.843 6.668 832 3HG2 THR 109 HG21 THR 109 -2.614 -2.552 8.295 833 H GLY 110 H GLY 110 -3.351 -6.322 8.906 834 1HA GLY 110 HA2 GLY 110 -3.113 -8.919 7.552 835 2HA GLY 110 HA3 GLY 110 -4.234 -8.418 8.830 836 H PHE 111 H PHE 111 -5.924 -9.531 7.242 837 HA PHE 111 HA PHE 111 -6.379 -8.317 4.696 838 1HB PHE 111 HB2 PHE 111 -8.409 -9.865 6.294 839 2HB PHE 111 HB3 PHE 111 -8.382 -9.579 4.567 840 HD1 PHE 111 HD2 PHE 111 -6.388 -10.443 3.167 841 HD2 PHE 111 HD1 PHE 111 -7.175 -11.789 7.194 842 HE1 PHE 111 HE2 PHE 111 -4.754 -12.273 2.874 843 HE2 PHE 111 HE1 PHE 111 -5.522 -13.612 6.892 844 HZ PHE 111 HZ PHE 111 -4.288 -13.840 4.742 845 H SER 112 H SER 112 -6.777 -6.243 4.483 846 HA SER 112 HA SER 112 -7.718 -4.500 6.426 847 1HB SER 112 HB2 SER 112 -7.882 -3.080 4.136 848 2HB SER 112 HB3 SER 112 -6.349 -3.583 4.870 849 HG SER 112 HG SER 112 -7.742 -4.917 2.782 850 HA PRO 113 HA PRO 113 -12.063 -4.602 6.300 851 1HB PRO 113 HB2 PRO 113 -12.881 -1.994 6.579 852 2HB PRO 113 HB3 PRO 113 -12.018 -2.880 7.868 853 1HG PRO 113 HG2 PRO 113 -10.803 -1.026 5.791 854 2HG PRO 113 HG3 PRO 113 -10.608 -0.930 7.560 855 1HD PRO 113 HD2 PRO 113 -8.756 -2.184 6.051 856 2HD PRO 113 HD3 PRO 113 -9.289 -2.946 7.569 857 H VAL 114 H VAL 114 -13.909 -4.369 4.928 858 HA VAL 114 HA VAL 114 -13.415 -3.155 2.234 859 HB VAL 114 HB VAL 114 -14.640 -5.186 1.365 860 1HG1 VAL 114 HG11 VAL 114 -11.880 -5.518 2.578 861 2HG1 VAL 114 HG12 VAL 114 -12.584 -6.511 1.295 862 3HG1 VAL 114 HG13 VAL 114 -12.260 -4.795 0.994 863 1HG2 VAL 114 HG23 VAL 114 -15.429 -6.111 3.591 864 2HG2 VAL 114 HG21 VAL 114 -14.523 -7.264 2.604 865 3HG2 VAL 114 HG22 VAL 114 -13.737 -6.481 3.981 866 HA PRO 115 HA PRO 115 -17.496 -1.594 3.718 867 1HB PRO 115 HB2 PRO 115 -16.231 0.727 2.268 868 2HB PRO 115 HB3 PRO 115 -17.366 0.781 3.661 869 1HG PRO 115 HG2 PRO 115 -14.775 1.146 4.156 870 2HG PRO 115 HG3 PRO 115 -15.639 -0.083 5.132 871 1HD PRO 115 HD2 PRO 115 -13.915 -0.632 2.689 872 2HD PRO 115 HD3 PRO 115 -13.880 -1.374 4.310 873 H LYS 116 H LYS 116 -19.052 -0.315 2.202 874 HA LYS 116 HA LYS 116 -18.750 -0.907 -0.647 875 1HB LYS 116 HB2 LYS 116 -21.096 -1.965 0.997 876 2HB LYS 116 HB3 LYS 116 -20.906 -2.078 -0.764 877 1HG LYS 116 HG2 LYS 116 -18.769 -3.358 -0.400 878 2HG LYS 116 HG3 LYS 116 -19.132 -3.385 1.335 879 1HD LYS 116 HD2 LYS 116 -21.142 -4.683 0.986 880 2HD LYS 116 HD3 LYS 116 -20.994 -4.537 -0.775 881 1HE LYS 116 HE2 LYS 116 -20.192 -6.743 0.038 882 2HE LYS 116 HE3 LYS 116 -18.919 -5.832 -0.782 883 1HZ LYS 116 HZ2 LYS 116 -19.259 -6.028 2.130 884 2HZ LYS 116 HZ3 LYS 116 -18.150 -6.850 1.230 885 3HZ LYS 116 HZ1 LYS 116 -18.054 -5.212 1.358 886 H ASP 117 H ASP 117 -21.279 -0.158 -1.436 887 HA ASP 117 HA ASP 117 -22.360 1.723 -2.051 888 1HB ASP 117 HB2 ASP 117 -23.430 1.389 0.138 889 2HB ASP 117 HB3 ASP 117 -22.233 2.425 0.918 890 HD2 ASP 117 HD ASP 117 -23.844 5.309 -0.048 891 H GLY 118 H GLY 118 -21.375 4.232 -0.030 892 1HA GLY 118 HA2 GLY 118 -19.168 5.014 -1.907 893 2HA GLY 118 HA3 GLY 118 -20.277 6.085 -1.053 894 H LYS 119 H LYS 119 -19.209 3.496 0.974 895 HA LYS 119 HA LYS 119 -17.471 5.369 2.470 896 1HB LYS 119 HB2 LYS 119 -18.647 2.639 3.088 897 2HB LYS 119 HB3 LYS 119 -17.393 3.413 4.086 898 1HG LYS 119 HG2 LYS 119 -18.834 5.312 4.559 899 2HG LYS 119 HG3 LYS 119 -20.058 4.721 3.430 900 1HD LYS 119 HD2 LYS 119 -20.703 4.251 5.758 901 2HD LYS 119 HD3 LYS 119 -20.517 2.774 4.811 902 1HE LYS 119 HE2 LYS 119 -19.592 2.524 7.080 903 2HE LYS 119 HE3 LYS 119 -18.334 2.318 5.862 904 1HZ LYS 119 HZ1 LYS 119 -18.839 4.751 7.435 905 2HZ LYS 119 HZ2 LYS 119 -17.609 3.678 7.672 906 3HZ LYS 119 HZ3 LYS 119 -17.660 4.585 6.295 907 H PHE 120 H PHE 120 -15.293 4.784 2.971 908 HA PHE 120 HA PHE 120 -14.014 2.828 1.107 909 1HB PHE 120 HB2 PHE 120 -13.621 5.764 1.430 910 2HB PHE 120 HB3 PHE 120 -12.191 4.827 1.092 911 HD1 PHE 120 HD1 PHE 120 -15.616 5.599 -0.125 912 HD2 PHE 120 HD2 PHE 120 -12.061 3.414 -0.992 913 HE1 PHE 120 HE1 PHE 120 -16.470 5.142 -2.403 914 HE2 PHE 120 HE2 PHE 120 -12.838 3.054 -3.321 915 HZ PHE 120 HZ PHE 120 -15.019 4.017 -4.059 916 H GLY 121 H GLY 121 -12.982 1.386 2.200 917 1HA GLY 121 HA2 GLY 121 -12.365 1.569 5.016 918 2HA GLY 121 HA3 GLY 121 -11.937 0.260 3.904 919 H TYR 122 H TYR 122 -10.601 2.606 5.823 920 HA TYR 122 HA TYR 122 -8.103 2.556 4.249 921 1HB TYR 122 HB2 TYR 122 -7.493 4.761 4.810 922 2HB TYR 122 HB3 TYR 122 -9.121 4.867 4.200 923 HD1 TYR 122 HD1 TYR 122 -6.813 5.165 7.071 924 HD2 TYR 122 HD2 TYR 122 -10.837 5.735 5.700 925 HE1 TYR 122 HE1 TYR 122 -7.241 6.650 8.992 926 HE2 TYR 122 HE2 TYR 122 -11.264 7.274 7.618 927 HH TYR 122 HH TYR 122 -10.383 8.279 9.469 928 H THR 123 H THR 123 -6.207 2.969 5.575 929 HA THR 123 HA THR 123 -6.384 2.394 8.419 930 HB THR 123 HB THR 123 -5.119 0.458 6.433 931 HG1 THR 123 HG1 THR 123 -7.446 0.508 7.665 932 1HG2 THR 123 HG22 THR 123 -3.564 0.837 8.302 933 2HG2 THR 123 HG23 THR 123 -4.844 0.434 9.453 934 3HG2 THR 123 HG21 THR 123 -4.237 -0.781 8.332 935 H ASP 124 H ASP 124 -5.066 3.945 9.131 936 HA ASP 124 HA ASP 124 -2.690 4.830 7.534 937 1HB ASP 124 HB2 ASP 124 -4.318 6.053 9.786 938 2HB ASP 124 HB3 ASP 124 -2.609 6.454 9.607 939 HD2 ASP 124 HD ASP 124 -2.787 8.027 6.647 940 H PHE 125 H PHE 125 -1.488 2.880 7.833 941 HA PHE 125 HA PHE 125 -0.895 2.209 10.685 942 1HB PHE 125 HB2 PHE 125 0.154 0.272 10.044 943 2HB PHE 125 HB3 PHE 125 -1.446 0.294 9.318 944 HD1 PHE 125 HD2 PHE 125 -1.609 0.607 6.767 945 HD2 PHE 125 HD1 PHE 125 2.154 0.046 8.810 946 HE1 PHE 125 HE2 PHE 125 -0.741 -0.680 4.835 947 HE2 PHE 125 HE1 PHE 125 3.027 -1.192 6.852 948 HZ PHE 125 HZ PHE 125 1.563 -1.651 4.923 949 H THR 126 H THR 126 1.407 2.309 11.318 950 HA THR 126 HA THR 126 2.975 4.248 9.671 951 HB THR 126 HB THR 126 2.744 4.074 12.690 952 HG1 THR 126 HG1 THR 126 1.726 6.113 10.996 953 1HG2 THR 126 HG21 THR 126 4.113 6.004 10.785 954 2HG2 THR 126 HG22 THR 126 3.801 6.375 12.501 955 3HG2 THR 126 HG23 THR 126 4.886 5.042 12.065 956 H TRP 127 H TRP 127 5.173 3.950 9.466 957 HA TRP 127 HA TRP 127 6.496 1.851 11.053 958 1HB TRP 127 HB2 TRP 127 5.740 0.768 8.967 959 2HB TRP 127 HB3 TRP 127 6.370 2.096 8.007 960 HD1 TRP 127 HD1 TRP 127 8.261 0.046 10.662 961 HE1 TRP 127 HE1 TRP 127 10.297 -1.059 9.607 962 HE3 TRP 127 HE3 TRP 127 7.510 1.458 5.798 963 HZ2 TRP 127 HZ2 TRP 127 11.409 -1.403 6.926 964 HZ3 TRP 127 HZ3 TRP 127 9.243 0.880 4.067 965 HH2 TRP 127 HH2 TRP 127 11.071 -0.595 4.588 966 H HIS 128 H HIS 128 8.678 2.161 11.380 967 HA HIS 128 HA HIS 128 9.890 4.713 10.418 968 1HB HIS 128 HB2 HIS 128 10.241 3.217 13.012 969 2HB HIS 128 HB3 HIS 128 11.460 4.322 12.368 970 HD1 HIS 128 HD1 HIS 128 10.701 6.945 12.016 971 HD2 HIS 128 HD2 HIS 128 8.035 4.379 14.065 972 HE1 HIS 128 HE1 HIS 128 9.004 8.446 13.201 973 HE2 HIS 128 HE2 HIS 128 7.382 6.888 14.436 974 HA PRO 129 HA PRO 129 11.874 1.260 8.304 975 1HB PRO 129 HB2 PRO 129 12.569 2.456 6.040 976 2HB PRO 129 HB3 PRO 129 10.852 2.354 6.498 977 1HG PRO 129 HG2 PRO 129 12.712 4.720 6.912 978 2HG PRO 129 HG3 PRO 129 11.120 4.726 6.143 979 1HD PRO 129 HD2 PRO 129 11.507 5.261 8.809 980 2HD PRO 129 HD3 PRO 129 10.011 4.464 8.200 981 H THR 130 H THR 130 13.887 0.371 8.514 982 HA THR 130 HA THR 130 16.274 1.990 9.049 983 HB THR 130 HB THR 130 17.158 -0.527 8.917 984 HG1 THR 130 HG1 THR 130 15.282 -1.447 8.032 985 1HG2 THR 130 HG22 THR 130 15.216 0.388 11.088 986 2HG2 THR 130 HG23 THR 130 16.418 -0.910 11.248 987 3HG2 THR 130 HG21 THR 130 16.951 0.767 11.020 988 H ALA 131 H ALA 131 18.161 1.795 7.497 989 HA ALA 131 HA ALA 131 17.289 2.323 4.873 990 1HB ALA 131 HB2 ALA 131 19.361 3.216 5.829 991 2HB ALA 131 HB3 ALA 131 20.102 1.601 5.704 992 3HB ALA 131 HB1 ALA 131 19.599 2.484 4.240 993 H GLY 132 H GLY 132 18.096 1.226 2.865 994 1HA GLY 132 HA2 GLY 132 18.947 -0.679 1.732 995 2HA GLY 132 HA3 GLY 132 18.325 -1.755 3.001 996 H THR 133 H THR 133 17.613 -2.715 0.772 997 HA THR 133 HA THR 133 15.286 -1.475 -0.454 998 HB THR 133 HB THR 133 16.399 -4.260 -0.930 999 HG1 THR 133 HG1 THR 133 17.302 -1.768 -1.933 1000 1HG2 THR 133 HG22 THR 133 15.008 -2.237 -2.756 1001 2HG2 THR 133 HG23 THR 133 15.616 -3.833 -3.241 1002 3HG2 THR 133 HG21 THR 133 14.271 -3.709 -2.094 1003 H TYR 134 H TYR 134 13.164 -2.215 -0.304 1004 HA TYR 134 HA TYR 134 12.525 -4.579 1.301 1005 1HB TYR 134 HB2 TYR 134 11.249 -1.868 1.845 1006 2HB TYR 134 HB3 TYR 134 10.717 -3.370 2.533 1007 HD1 TYR 134 HD2 TYR 134 13.531 -0.966 2.289 1008 HD2 TYR 134 HD1 TYR 134 11.643 -4.008 4.677 1009 HE1 TYR 134 HE2 TYR 134 15.068 -0.475 4.113 1010 HE2 TYR 134 HE1 TYR 134 13.227 -3.514 6.523 1011 HH TYR 134 HH TYR 134 16.079 -1.383 5.953 1012 H TYR 135 H TYR 135 10.060 -4.973 0.960 1013 HA TYR 135 HA TYR 135 9.144 -4.111 -1.680 1014 1HB TYR 135 HB2 TYR 135 9.659 -6.994 -0.883 1015 2HB TYR 135 HB3 TYR 135 8.657 -6.518 -2.250 1016 HD1 TYR 135 HD2 TYR 135 12.134 -6.638 -0.963 1017 HD2 TYR 135 HD1 TYR 135 9.608 -5.670 -4.312 1018 HE1 TYR 135 HE2 TYR 135 14.126 -6.524 -2.417 1019 HE2 TYR 135 HE1 TYR 135 11.605 -5.644 -5.791 1020 HH TYR 135 HH TYR 135 14.908 -6.164 -4.561 1021 H TYR 136 H TYR 136 6.860 -4.319 -1.879 1022 HA TYR 136 HA TYR 136 5.452 -5.052 0.634 1023 1HB TYR 136 HB2 TYR 136 3.739 -3.438 0.108 1024 2HB TYR 136 HB3 TYR 136 5.303 -2.708 0.438 1025 HD1 TYR 136 HD1 TYR 136 2.717 -3.283 -2.150 1026 HD2 TYR 136 HD2 TYR 136 6.547 -1.506 -1.285 1027 HE1 TYR 136 HE1 TYR 136 2.429 -1.693 -4.056 1028 HE2 TYR 136 HE2 TYR 136 6.206 0.122 -3.116 1029 HH TYR 136 HH TYR 136 4.896 0.663 -4.928 1030 H VAL 137 H VAL 137 3.655 -6.364 0.471 1031 HA VAL 137 HA VAL 137 2.780 -7.294 -2.221 1032 HB VAL 137 HB VAL 137 2.988 -9.638 -1.431 1033 1HG1 VAL 137 HG13 VAL 137 4.719 -8.747 -2.899 1034 2HG1 VAL 137 HG11 VAL 137 5.658 -8.179 -1.494 1035 3HG1 VAL 137 HG12 VAL 137 5.376 -9.909 -1.739 1036 1HG2 VAL 137 HG21 VAL 137 3.052 -9.286 1.018 1037 2HG2 VAL 137 HG22 VAL 137 4.434 -10.224 0.456 1038 3HG2 VAL 137 HG23 VAL 137 4.648 -8.516 0.869 1039 H CYS 138 H CYS 138 0.765 -8.268 -2.296 1040 HA CYS 138 HA CYS 138 -1.071 -7.963 0.037 1041 1HB CYS 138 HB2 CYS 138 -1.922 -7.034 -2.005 1042 2HB CYS 138 HB3 CYS 138 -1.374 -8.447 -2.932 1043 H GLN 139 H GLN 139 -1.543 -9.799 1.250 1044 HA GLN 139 HA GLN 139 -0.411 -12.344 0.372 1045 1HB GLN 139 HB2 GLN 139 -2.030 -11.726 2.862 1046 2HB GLN 139 HB3 GLN 139 -0.963 -13.106 2.609 1047 1HG GLN 139 HG2 GLN 139 -0.109 -10.195 2.900 1048 2HG GLN 139 HG3 GLN 139 0.003 -11.502 4.086 1049 1HE2 GLN 139 HE22 GLN 139 3.407 -11.509 3.028 1050 2HE2 GLN 139 HE21 GLN 139 2.266 -10.704 4.127 1051 H ILE 140 H ILE 140 -3.443 -11.135 -0.427 1052 HA ILE 140 HA ILE 140 -4.952 -13.526 0.051 1053 HB ILE 140 HB ILE 140 -5.311 -11.353 -2.002 1054 1HG1 ILE 140 HG12 ILE 140 -6.607 -12.039 0.677 1055 2HG1 ILE 140 HG13 ILE 140 -5.610 -10.631 0.300 1056 1HG2 ILE 140 HG21 ILE 140 -6.340 -13.506 -2.822 1057 2HG2 ILE 140 HG22 ILE 140 -7.274 -13.580 -1.311 1058 3HG2 ILE 140 HG23 ILE 140 -7.529 -12.267 -2.471 1059 1HD1 ILE 140 HD11 ILE 140 -7.418 -9.928 -1.354 1060 2HD1 ILE 140 HD12 ILE 140 -8.431 -11.223 -0.663 1061 3HD1 ILE 140 HD13 ILE 140 -7.862 -9.913 0.369 1062 HA PRO 141 HA PRO 141 -2.682 -16.433 -2.243 1063 1HB PRO 141 HB2 PRO 141 -5.423 -17.311 -3.206 1064 2HB PRO 141 HB3 PRO 141 -4.017 -18.346 -2.804 1065 1HG PRO 141 HG2 PRO 141 -5.923 -17.893 -0.926 1066 2HG PRO 141 HG3 PRO 141 -4.197 -17.790 -0.476 1067 1HD PRO 141 HD2 PRO 141 -6.133 -15.554 -0.966 1068 2HD PRO 141 HD3 PRO 141 -4.783 -15.677 0.202 1069 H GLY 142 H GLY 142 -1.526 -16.210 -4.052 1070 1HA GLY 142 HA2 GLY 142 -1.035 -16.085 -6.305 1071 2HA GLY 142 HA3 GLY 142 -2.737 -15.816 -6.679 1072 H HIS 143 H HIS 143 -2.577 -13.448 -4.535 1073 HA HIS 143 HA HIS 143 -2.365 -11.519 -6.624 1074 1HB HIS 143 HB2 HIS 143 -2.519 -11.157 -3.621 1075 2HB HIS 143 HB3 HIS 143 -2.575 -9.864 -4.816 1076 HD2 HIS 143 HD2 HIS 143 -4.578 -12.974 -5.845 1077 HE1 HIS 143 HE1 HIS 143 -7.398 -10.171 -4.366 1078 HE2 HIS 143 HE2 HIS 143 -7.087 -12.403 -5.566 1079 H ALA 144 H ALA 144 -0.060 -12.267 -3.930 1080 HA ALA 144 HA ALA 144 1.786 -10.218 -4.679 1081 1HB ALA 144 HB3 ALA 144 1.861 -11.430 -2.515 1082 2HB ALA 144 HB1 ALA 144 2.442 -12.881 -3.364 1083 3HB ALA 144 HB2 ALA 144 3.418 -11.388 -3.365 1084 H ALA 145 H ALA 145 1.605 -13.684 -5.586 1085 HA ALA 145 HA ALA 145 3.884 -13.833 -7.249 1086 1HB ALA 145 HB1 ALA 145 1.265 -15.373 -7.425 1087 2HB ALA 145 HB2 ALA 145 2.785 -15.802 -8.233 1088 3HB ALA 145 HB3 ALA 145 2.697 -15.815 -6.469 1089 H THR 146 H THR 146 0.476 -13.249 -8.226 1090 HA THR 146 HA THR 146 1.391 -11.758 -10.638 1091 HB THR 146 HB THR 146 -0.275 -13.110 -11.945 1092 HG1 THR 146 HG1 THR 146 -1.331 -13.886 -10.021 1093 1HG2 THR 146 HG23 THR 146 2.177 -13.646 -12.047 1094 2HG2 THR 146 HG21 THR 146 1.930 -14.854 -10.765 1095 3HG2 THR 146 HG22 THR 146 1.123 -15.050 -12.328 1096 H GLY 147 H GLY 147 0.618 -9.942 -9.231 1097 1HA GLY 147 HA2 GLY 147 -2.006 -9.232 -10.058 1098 2HA GLY 147 HA3 GLY 147 -2.080 -9.758 -8.371 1099 H MET 148 H MET 148 -0.096 -8.710 -7.011 1100 HA MET 148 HA MET 148 0.310 -5.906 -7.738 1101 1HB MET 148 HB2 MET 148 -0.969 -5.025 -5.838 1102 2HB MET 148 HB3 MET 148 -1.988 -5.857 -7.023 1103 1HG MET 148 HG3 MET 148 -1.477 -7.888 -5.268 1104 2HG MET 148 HG2 MET 148 -1.418 -6.487 -4.197 1105 1HE MET 148 HE1 MET 148 -3.529 -4.590 -5.700 1106 2HE MET 148 HE3 MET 148 -5.051 -5.019 -4.890 1107 3HE MET 148 HE2 MET 148 -3.575 -4.817 -3.934 1108 H PHE 149 H PHE 149 2.139 -5.115 -6.874 1109 HA PHE 149 HA PHE 149 2.946 -5.643 -4.202 1110 1HB PHE 149 HB2 PHE 149 4.766 -7.067 -4.433 1111 2HB PHE 149 HB3 PHE 149 3.678 -7.764 -5.585 1112 HD1 PHE 149 HD2 PHE 149 3.929 -6.848 -8.104 1113 HD2 PHE 149 HD1 PHE 149 6.989 -6.612 -5.067 1114 HE1 PHE 149 HE2 PHE 149 5.664 -6.598 -9.856 1115 HE2 PHE 149 HE1 PHE 149 8.712 -6.418 -6.812 1116 HZ PHE 149 HZ PHE 149 8.058 -6.391 -9.225 1117 H GLY 150 H GLY 150 5.686 -4.807 -4.483 1118 1HA GLY 150 HA2 GLY 150 6.460 -2.977 -6.427 1119 2HA GLY 150 HA3 GLY 150 5.520 -2.026 -5.284 1120 H LYS 151 H LYS 151 8.048 -1.340 -5.481 1121 HA LYS 151 HA LYS 151 9.697 -2.865 -3.524 1122 1HB LYS 151 HB2 LYS 151 10.797 -0.938 -5.546 1123 2HB LYS 151 HB3 LYS 151 11.579 -2.284 -4.715 1124 1HG LYS 151 HG2 LYS 151 10.047 -3.834 -6.074 1125 2HG LYS 151 HG3 LYS 151 9.577 -2.403 -7.011 1126 1HD LYS 151 HD2 LYS 151 12.040 -1.984 -7.472 1127 2HD LYS 151 HD3 LYS 151 12.396 -3.554 -6.750 1128 1HE LYS 151 HE2 LYS 151 10.599 -3.030 -9.177 1129 2HE LYS 151 HE3 LYS 151 12.253 -3.660 -9.227 1130 1HZ LYS 151 HZ3 LYS 151 11.501 -5.573 -8.012 1131 2HZ LYS 151 HZ1 LYS 151 9.958 -4.987 -7.971 1132 3HZ LYS 151 HZ2 LYS 151 10.649 -5.393 -9.410 1133 H ILE 152 H ILE 152 10.996 -1.659 -2.091 1134 HA ILE 152 HA ILE 152 10.435 1.241 -1.718 1135 HB ILE 152 HB ILE 152 10.320 -1.071 0.188 1136 1HG1 ILE 152 HG12 ILE 152 8.623 1.384 0.438 1137 2HG1 ILE 152 HG13 ILE 152 8.241 0.173 -0.802 1138 1HG2 ILE 152 HG23 ILE 152 11.070 1.800 0.887 1139 2HG2 ILE 152 HG21 ILE 152 10.505 0.637 2.102 1140 3HG2 ILE 152 HG22 ILE 152 11.992 0.323 1.221 1141 1HD1 ILE 152 HD12 ILE 152 8.536 -0.443 2.182 1142 2HD1 ILE 152 HD13 ILE 152 7.007 -0.255 1.302 1143 3HD1 ILE 152 HD11 ILE 152 8.102 -1.590 0.900 1144 H VAL 153 H VAL 153 12.355 2.356 -1.263 1145 HA VAL 153 HA VAL 153 14.861 0.808 -0.813 1146 HB VAL 153 HB VAL 153 14.644 3.189 -2.661 1147 1HG1 VAL 153 HG13 VAL 153 16.870 2.705 -1.583 1148 2HG1 VAL 153 HG11 VAL 153 16.818 1.060 -2.220 1149 3HG1 VAL 153 HG12 VAL 153 16.935 2.443 -3.332 1150 1HG2 VAL 153 HG21 VAL 153 14.696 0.224 -3.370 1151 2HG2 VAL 153 HG22 VAL 153 13.423 1.397 -3.789 1152 3HG2 VAL 153 HG23 VAL 153 15.018 1.528 -4.536 1153 H VAL 154 H VAL 154 15.133 1.384 1.282 1154 HA VAL 154 HA VAL 154 14.519 4.137 2.156 1155 HB VAL 154 HB VAL 154 15.483 1.760 3.746 1156 1HG1 VAL 154 HG12 VAL 154 15.819 4.055 4.755 1157 2HG1 VAL 154 HG13 VAL 154 14.090 4.359 4.555 1158 3HG1 VAL 154 HG11 VAL 154 14.653 3.103 5.667 1159 1HG2 VAL 154 HG23 VAL 154 13.285 1.316 2.641 1160 2HG2 VAL 154 HG21 VAL 154 13.225 1.322 4.384 1161 3HG2 VAL 154 HG22 VAL 154 12.613 2.727 3.471 1162 H LYS 155 H LYS 155 16.182 5.673 2.309 1163 HA LYS 155 HA LYS 155 18.968 4.732 2.742 1164 1HB LYS 155 HB2 LYS 155 18.229 6.641 0.491 1165 2HB LYS 155 HB3 LYS 155 19.841 6.016 0.917 1166 1HG LYS 155 HG2 LYS 155 19.176 3.752 0.273 1167 2HG LYS 155 HG3 LYS 155 17.545 4.306 -0.133 1168 1HD LYS 155 HD2 LYS 155 20.006 5.428 -1.520 1169 2HD LYS 155 HD3 LYS 155 19.154 3.977 -2.070 1170 1HE LYS 155 HE2 LYS 155 17.019 5.299 -2.212 1171 2HE LYS 155 HE3 LYS 155 17.937 6.766 -1.830 1172 1HZ LYS 155 HZ1 LYS 155 18.460 5.001 -4.116 1173 2HZ LYS 155 HZ2 LYS 155 17.596 6.394 -4.194 1174 3HZ LYS 155 HZ3 LYS 155 19.200 6.440 -3.800 No H/Q in entry = 1174 Start of MODEL 9 1 H GLY 1 H GLY 1 -1.922 -12.736 16.239 2 1HA GLY 1 HA2 GLY 1 0.293 -11.117 15.066 3 2HA GLY 1 HA3 GLY 1 -0.652 -12.333 14.185 4 H THR 2 H THR 2 -1.613 -9.655 16.402 5 HA THR 2 HA THR 2 -3.853 -8.889 14.729 6 HB THR 2 HB THR 2 -4.073 -7.120 16.506 7 HG1 THR 2 HG1 THR 2 -1.856 -6.950 16.940 8 1HG2 THR 2 HG22 THR 2 -5.125 -9.350 16.816 9 2HG2 THR 2 HG23 THR 2 -3.638 -9.948 17.584 10 3HG2 THR 2 HG21 THR 2 -4.575 -8.655 18.353 11 H LEU 3 H LEU 3 -2.212 -8.638 12.843 12 HA LEU 3 HA LEU 3 -0.615 -6.260 12.649 13 1HB LEU 3 HB2 LEU 3 -1.958 -8.098 10.696 14 2HB LEU 3 HB3 LEU 3 -1.351 -6.583 10.104 15 HG LEU 3 HG LEU 3 0.906 -7.044 10.710 16 1HD1 LEU 3 HD11 LEU 3 -0.067 -9.665 11.920 17 2HD1 LEU 3 HD12 LEU 3 1.630 -9.198 11.669 18 3HD1 LEU 3 HD13 LEU 3 0.636 -8.291 12.811 19 1HD2 LEU 3 HD22 LEU 3 0.002 -7.991 8.571 20 2HD2 LEU 3 HD23 LEU 3 1.348 -8.944 9.223 21 3HD2 LEU 3 HD21 LEU 3 -0.323 -9.516 9.410 22 H ASP 4 H ASP 4 -1.056 -4.416 11.597 23 HA ASP 4 HA ASP 4 -2.126 -2.334 11.995 24 1HB ASP 4 HB2 ASP 4 -2.008 -2.788 9.627 25 2HB ASP 4 HB3 ASP 4 -3.562 -3.701 9.727 26 HD2 ASP 4 HD ASP 4 -5.079 -0.966 8.531 27 H THR 5 H THR 5 -3.196 -2.569 14.121 28 HA THR 5 HA THR 5 -5.957 -3.334 14.320 29 HB THR 5 HB THR 5 -5.619 -1.815 16.438 30 HG1 THR 5 HG1 THR 5 -3.404 -1.427 16.837 31 1HG2 THR 5 HG22 THR 5 -3.821 -4.247 15.956 32 2HG2 THR 5 HG23 THR 5 -4.273 -3.591 17.542 33 3HG2 THR 5 HG21 THR 5 -5.514 -4.297 16.492 34 H THR 6 H THR 6 -4.240 -0.408 13.285 35 HA THR 6 HA THR 6 -6.407 1.368 13.644 36 HB THR 6 HB THR 6 -3.985 1.788 11.823 37 HG1 THR 6 HG1 THR 6 -2.935 2.356 13.772 38 1HG2 THR 6 HG22 THR 6 -5.782 3.569 12.016 39 2HG2 THR 6 HG23 THR 6 -5.530 3.576 13.769 40 3HG2 THR 6 HG21 THR 6 -4.218 4.091 12.681 41 H TRP 7 H TRP 7 -7.899 -0.227 12.482 42 HA TRP 7 HA TRP 7 -8.151 0.328 9.545 43 1HB TRP 7 HB2 TRP 7 -9.562 -1.625 11.401 44 2HB TRP 7 HB3 TRP 7 -10.047 -1.302 9.738 45 HD1 TRP 7 HD1 TRP 7 -8.241 -3.794 11.543 46 HE1 TRP 7 HE1 TRP 7 -6.753 -5.193 10.032 47 HE3 TRP 7 HE3 TRP 7 -8.207 -0.750 7.420 48 HZ2 TRP 7 HZ2 TRP 7 -5.610 -4.985 7.373 49 HZ3 TRP 7 HZ3 TRP 7 -6.737 -1.275 5.508 50 HH2 TRP 7 HH2 TRP 7 -5.544 -3.459 5.412 51 H LYS 8 H LYS 8 -9.717 1.718 8.791 52 HA LYS 8 HA LYS 8 -12.103 2.304 10.393 53 1HB LYS 8 HB2 LYS 8 -10.122 4.458 9.498 54 2HB LYS 8 HB3 LYS 8 -11.754 4.778 10.115 55 1HG LYS 8 HG2 LYS 8 -11.084 3.720 12.287 56 2HG LYS 8 HG3 LYS 8 -9.428 3.580 11.654 57 1HD LYS 8 HD2 LYS 8 -9.286 6.017 11.341 58 2HD LYS 8 HD3 LYS 8 -10.966 6.206 11.864 59 1HE LYS 8 HE2 LYS 8 -9.434 6.776 13.691 60 2HE LYS 8 HE3 LYS 8 -10.407 5.359 14.114 61 1HZ LYS 8 HZ2 LYS 8 -7.644 5.285 13.114 62 2HZ LYS 8 HZ3 LYS 8 -8.102 5.098 14.686 63 3HZ LYS 8 HZ1 LYS 8 -8.549 3.980 13.563 64 H GLU 9 H GLU 9 -13.372 4.087 8.833 65 HA GLU 9 HA GLU 9 -12.738 3.540 6.013 66 1HB GLU 9 HB2 GLU 9 -15.636 3.526 6.758 67 2HB GLU 9 HB3 GLU 9 -14.804 3.093 5.263 68 1HG GLU 9 HG2 GLU 9 -15.447 0.995 6.172 69 2HG GLU 9 HG3 GLU 9 -13.770 1.102 6.711 70 HE2 GLU 9 HE GLU 9 -14.733 0.894 10.010 71 H ALA 10 H ALA 10 -12.703 5.387 4.918 72 HA ALA 10 HA ALA 10 -13.825 7.887 6.094 73 1HB ALA 10 HB3 ALA 10 -11.390 7.704 5.297 74 2HB ALA 10 HB1 ALA 10 -12.029 7.542 3.649 75 3HB ALA 10 HB2 ALA 10 -12.333 9.009 4.612 76 H THR 11 H THR 11 -14.135 8.995 3.307 77 HA THR 11 HA THR 11 -16.043 7.183 2.005 78 HB THR 11 HB THR 11 -17.747 8.878 1.823 79 HG1 THR 11 HG1 THR 11 -16.189 10.403 3.661 80 1HG2 THR 11 HG23 THR 11 -17.936 7.408 3.799 81 2HG2 THR 11 HG21 THR 11 -17.047 8.597 4.774 82 3HG2 THR 11 HG22 THR 11 -18.615 9.017 4.076 83 H LEU 12 H LEU 12 -16.616 8.134 -0.194 84 HA LEU 12 HA LEU 12 -14.468 8.235 -1.750 85 1HB LEU 12 HB2 LEU 12 -16.744 8.006 -2.519 86 2HB LEU 12 HB3 LEU 12 -17.030 9.731 -2.378 87 HG LEU 12 HG LEU 12 -14.652 8.882 -4.023 88 1HD1 LEU 12 HD13 LEU 12 -17.521 8.503 -4.972 89 2HD1 LEU 12 HD11 LEU 12 -16.068 8.400 -5.990 90 3HD1 LEU 12 HD12 LEU 12 -16.324 7.217 -4.698 91 1HD2 LEU 12 HD23 LEU 12 -16.871 10.932 -4.479 92 2HD2 LEU 12 HD21 LEU 12 -15.253 11.294 -3.849 93 3HD2 LEU 12 HD22 LEU 12 -15.438 10.703 -5.499 94 HA PRO 13 HA PRO 13 -13.863 12.945 -2.202 95 1HB PRO 13 HB2 PRO 13 -14.722 14.649 -0.192 96 2HB PRO 13 HB3 PRO 13 -15.665 14.256 -1.657 97 1HG PRO 13 HG2 PRO 13 -15.876 12.944 1.071 98 2HG PRO 13 HG3 PRO 13 -17.202 13.592 0.062 99 1HD PRO 13 HD2 PRO 13 -16.660 10.981 0.032 100 2HD PRO 13 HD3 PRO 13 -16.969 11.820 -1.513 101 H GLN 14 H GLN 14 -13.776 11.305 0.948 102 HA GLN 14 HA GLN 14 -11.558 12.836 1.999 103 1HB GLN 14 HB2 GLN 14 -12.491 10.094 2.781 104 2HB GLN 14 HB3 GLN 14 -11.417 11.185 3.686 105 1HG GLN 14 HG2 GLN 14 -13.228 12.888 3.849 106 2HG GLN 14 HG3 GLN 14 -14.332 11.817 2.982 107 1HE2 GLN 14 HE22 GLN 14 -13.389 10.908 6.889 108 2HE2 GLN 14 HE21 GLN 14 -12.272 11.887 5.958 109 H VAL 15 H VAL 15 -11.912 10.173 -0.315 110 HA VAL 15 HA VAL 15 -9.190 9.210 -0.110 111 HB VAL 15 HB VAL 15 -10.914 9.316 -2.618 112 1HG1 VAL 15 HG12 VAL 15 -8.600 7.515 -1.794 113 2HG1 VAL 15 HG13 VAL 15 -9.567 7.346 -3.273 114 3HG1 VAL 15 HG11 VAL 15 -8.556 8.775 -3.041 115 1HG2 VAL 15 HG23 VAL 15 -12.159 8.146 -0.763 116 2HG2 VAL 15 HG21 VAL 15 -11.682 7.124 -2.119 117 3HG2 VAL 15 HG22 VAL 15 -10.766 7.063 -0.584 118 H LYS 16 H LYS 16 -10.849 11.690 -2.088 119 HA LYS 16 HA LYS 16 -8.552 12.617 -3.516 120 1HB LYS 16 HB2 LYS 16 -11.090 14.129 -2.775 121 2HB LYS 16 HB3 LYS 16 -9.871 14.620 -3.956 122 1HG LYS 16 HG2 LYS 16 -10.339 12.628 -5.330 123 2HG LYS 16 HG3 LYS 16 -11.487 12.028 -4.128 124 1HD LYS 16 HD2 LYS 16 -12.713 13.021 -5.936 125 2HD LYS 16 HD3 LYS 16 -12.941 13.997 -4.477 126 1HE LYS 16 HE2 LYS 16 -11.342 15.679 -5.311 127 2HE LYS 16 HE3 LYS 16 -10.949 14.652 -6.705 128 1HZ LYS 16 HZ3 LYS 16 -13.570 15.840 -6.126 129 2HZ LYS 16 HZ1 LYS 16 -12.494 16.369 -7.254 130 3HZ LYS 16 HZ2 LYS 16 -13.209 14.896 -7.427 131 H ALA 17 H ALA 17 -10.067 13.663 -0.425 132 HA ALA 17 HA ALA 17 -8.238 15.725 0.190 133 1HB ALA 17 HB3 ALA 17 -10.284 15.256 1.453 134 2HB ALA 17 HB1 ALA 17 -9.506 13.825 2.183 135 3HB ALA 17 HB2 ALA 17 -8.845 15.447 2.476 136 H MET 18 H MET 18 -7.990 12.253 1.217 137 HA MET 18 HA MET 18 -5.474 12.562 2.454 138 1HB MET 18 HB2 MET 18 -6.896 10.151 1.324 139 2HB MET 18 HB3 MET 18 -5.315 10.033 2.120 140 1HG MET 18 HG2 MET 18 -6.174 11.113 4.140 141 2HG MET 18 HG3 MET 18 -7.784 11.248 3.428 142 1HE MET 18 HE3 MET 18 -9.398 9.290 3.082 143 2HE MET 18 HE1 MET 18 -8.214 8.484 2.029 144 3HE MET 18 HE2 MET 18 -8.997 7.572 3.344 145 H LEU 19 H LEU 19 -6.231 11.582 -0.922 146 HA LEU 19 HA LEU 19 -3.602 11.129 -1.838 147 1HB LEU 19 HB2 LEU 19 -6.052 12.321 -3.180 148 2HB LEU 19 HB3 LEU 19 -4.547 12.070 -4.062 149 HG LEU 19 HG LEU 19 -5.965 9.794 -2.615 150 1HD1 LEU 19 HD13 LEU 19 -6.183 10.681 -5.530 151 2HD1 LEU 19 HD11 LEU 19 -6.830 9.167 -4.864 152 3HD1 LEU 19 HD12 LEU 19 -7.485 10.719 -4.323 153 1HD2 LEU 19 HD22 LEU 19 -3.878 9.884 -4.838 154 2HD2 LEU 19 HD23 LEU 19 -3.576 9.375 -3.164 155 3HD2 LEU 19 HD21 LEU 19 -4.634 8.410 -4.197 156 H GLU 20 H GLU 20 -5.344 14.258 -1.551 157 HA GLU 20 HA GLU 20 -3.183 15.823 -2.592 158 1HB GLU 20 HB2 GLU 20 -5.464 16.560 -0.722 159 2HB GLU 20 HB3 GLU 20 -4.354 17.723 -1.451 160 1HG GLU 20 HG2 GLU 20 -5.064 17.217 -3.675 161 2HG GLU 20 HG3 GLU 20 -5.960 15.783 -3.165 162 HE1 GLU 20 HE GLU 20 -7.712 16.068 -1.900 163 H LYS 21 H LYS 21 -3.330 14.109 0.427 164 HA LYS 21 HA LYS 21 -1.288 15.919 1.645 165 1HB LYS 21 HB2 LYS 21 -2.664 13.516 2.874 166 2HB LYS 21 HB3 LYS 21 -1.675 14.720 3.691 167 1HG LYS 21 HG2 LYS 21 -4.458 15.032 2.532 168 2HG LYS 21 HG3 LYS 21 -3.982 15.119 4.221 169 1HD LYS 21 HD2 LYS 21 -3.320 17.138 2.030 170 2HD LYS 21 HD3 LYS 21 -4.499 17.323 3.329 171 1HE LYS 21 HE2 LYS 21 -2.650 17.172 5.018 172 2HE LYS 21 HE3 LYS 21 -1.471 17.063 3.697 173 1HZ LYS 21 HZ3 LYS 21 -2.197 19.201 2.943 174 2HZ LYS 21 HZ1 LYS 21 -3.281 19.317 4.178 175 3HZ LYS 21 HZ2 LYS 21 -1.666 19.276 4.500 176 H ASP 22 H ASP 22 -1.207 13.504 -0.613 177 HA ASP 22 HA ASP 22 0.704 11.729 0.670 178 1HB ASP 22 HB2 ASP 22 -0.715 10.965 -1.225 179 2HB ASP 22 HB3 ASP 22 0.071 12.153 -2.270 180 HD1 ASP 22 HD ASP 22 1.306 9.598 -0.030 181 H THR 23 H THR 23 2.890 12.153 1.000 182 HA THR 23 HA THR 23 4.070 14.513 -0.277 183 HB THR 23 HB THR 23 5.878 13.888 1.483 184 HG1 THR 23 HG1 THR 23 4.981 12.622 3.159 185 1HG2 THR 23 HG22 THR 23 4.219 15.706 1.762 186 2HG2 THR 23 HG23 THR 23 3.030 14.535 2.369 187 3HG2 THR 23 HG21 THR 23 4.513 14.856 3.288 188 H GLY 24 H GLY 24 3.633 12.118 -2.022 189 1HA GLY 24 HA2 GLY 24 6.392 11.078 -2.550 190 2HA GLY 24 HA3 GLY 24 4.844 10.425 -3.061 191 H LYS 25 H LYS 25 7.490 12.299 -3.997 192 HA LYS 25 HA LYS 25 6.136 13.754 -6.181 193 1HB LYS 25 HB2 LYS 25 9.052 13.306 -5.450 194 2HB LYS 25 HB3 LYS 25 8.505 14.314 -6.794 195 1HG LYS 25 HG2 LYS 25 7.347 15.836 -5.328 196 2HG LYS 25 HG3 LYS 25 7.638 14.829 -3.907 197 1HD LYS 25 HD2 LYS 25 9.880 16.087 -5.555 198 2HD LYS 25 HD3 LYS 25 9.140 16.847 -4.135 199 1HE LYS 25 HE2 LYS 25 9.740 14.833 -2.763 200 2HE LYS 25 HE3 LYS 25 10.616 14.165 -4.146 201 1HZ LYS 25 HZ2 LYS 25 11.208 16.741 -2.881 202 2HZ LYS 25 HZ3 LYS 25 12.003 15.321 -2.608 203 3HZ LYS 25 HZ1 LYS 25 12.059 16.027 -4.104 204 H VAL 26 H VAL 26 6.815 13.272 -8.427 205 HA VAL 26 HA VAL 26 6.703 10.386 -8.955 206 HB VAL 26 HB VAL 26 6.816 12.693 -10.942 207 1HG1 VAL 26 HG12 VAL 26 5.738 9.841 -11.126 208 2HG1 VAL 26 HG13 VAL 26 5.585 11.075 -12.391 209 3HG1 VAL 26 HG11 VAL 26 7.182 10.468 -11.949 210 1HG2 VAL 26 HG21 VAL 26 4.413 11.469 -9.530 211 2HG2 VAL 26 HG22 VAL 26 4.922 13.169 -9.484 212 3HG2 VAL 26 HG23 VAL 26 4.307 12.490 -10.987 213 H SER 27 H SER 27 8.375 9.226 -10.107 214 HA SER 27 HA SER 27 10.819 10.688 -10.908 215 1HB SER 27 HB2 SER 27 10.879 8.317 -9.004 216 2HB SER 27 HB3 SER 27 12.266 9.207 -9.656 217 HG SER 27 HG SER 27 10.787 11.061 -8.621 218 H GLY 28 H GLY 28 9.354 10.098 -12.820 219 1HA GLY 28 HA2 GLY 28 9.128 8.916 -14.761 220 2HA GLY 28 HA3 GLY 28 10.631 8.076 -14.347 221 H ASP 29 H ASP 29 10.487 5.938 -13.728 222 HA ASP 29 HA ASP 29 7.796 4.672 -13.512 223 1HB ASP 29 HB2 ASP 29 8.929 2.614 -14.057 224 2HB ASP 29 HB3 ASP 29 9.337 3.821 -15.286 225 HD2 ASP 29 HD ASP 29 12.300 1.948 -13.922 226 H THR 30 H THR 30 8.843 6.236 -11.295 227 HA THR 30 HA THR 30 8.726 4.287 -9.174 228 HB THR 30 HB THR 30 11.292 5.796 -9.873 229 HG1 THR 30 HG1 THR 30 10.742 3.484 -10.406 230 1HG2 THR 30 HG22 THR 30 10.747 4.672 -7.148 231 2HG2 THR 30 HG23 THR 30 12.303 5.195 -7.808 232 3HG2 THR 30 HG21 THR 30 11.011 6.379 -7.569 233 H VAL 31 H VAL 31 8.527 5.571 -7.111 234 HA VAL 31 HA VAL 31 7.821 8.451 -7.413 235 HB VAL 31 HB VAL 31 6.249 6.171 -6.273 236 1HG1 VAL 31 HG11 VAL 31 6.179 8.938 -4.934 237 2HG1 VAL 31 HG12 VAL 31 5.058 7.597 -4.649 238 3HG1 VAL 31 HG13 VAL 31 6.746 7.438 -4.159 239 1HG2 VAL 31 HG23 VAL 31 5.627 7.503 -8.261 240 2HG2 VAL 31 HG21 VAL 31 4.373 7.526 -7.009 241 3HG2 VAL 31 HG22 VAL 31 5.419 8.937 -7.252 242 H THR 32 H THR 32 8.388 9.741 -5.501 243 HA THR 32 HA THR 32 10.418 8.481 -3.742 244 HB THR 32 HB THR 32 10.857 10.862 -5.587 245 HG1 THR 32 HG1 THR 32 11.527 9.322 -6.783 246 1HG2 THR 32 HG23 THR 32 12.612 9.740 -3.362 247 2HG2 THR 32 HG21 THR 32 13.178 10.838 -4.638 248 3HG2 THR 32 HG22 THR 32 11.942 11.377 -3.494 249 H TYR 33 H TYR 33 9.869 8.990 -1.739 250 HA TYR 33 HA TYR 33 8.245 11.397 -1.194 251 1HB TYR 33 HB2 TYR 33 9.231 9.124 0.566 252 2HB TYR 33 HB3 TYR 33 8.319 10.527 1.128 253 HD1 TYR 33 HD1 TYR 33 8.067 7.523 -1.109 254 HD2 TYR 33 HD2 TYR 33 5.985 10.721 0.892 255 HE1 TYR 33 HE1 TYR 33 5.904 6.683 -1.988 256 HE2 TYR 33 HE2 TYR 33 3.855 9.932 -0.054 257 HH TYR 33 HH TYR 33 2.839 8.454 -1.495 258 H SER 34 H SER 34 8.986 12.782 0.708 259 HA SER 34 HA SER 34 11.851 12.935 1.171 260 1HB SER 34 HB2 SER 34 10.369 15.127 -0.338 261 2HB SER 34 HB3 SER 34 11.921 15.373 0.480 262 HG SER 34 HG SER 34 11.874 13.152 -1.151 263 H GLY 35 H GLY 35 12.290 14.351 2.962 264 1HA GLY 35 HA2 GLY 35 11.789 15.376 4.973 265 2HA GLY 35 HA3 GLY 35 10.075 15.485 4.524 266 H LYS 36 H LYS 36 10.750 14.653 7.101 267 HA LYS 36 HA LYS 36 10.918 11.766 7.256 268 1HB LYS 36 HB2 LYS 36 10.203 13.880 9.319 269 2HB LYS 36 HB3 LYS 36 10.439 12.169 9.691 270 1HG LYS 36 HG2 LYS 36 12.600 13.930 8.427 271 2HG LYS 36 HG3 LYS 36 12.416 13.652 10.161 272 1HD LYS 36 HD2 LYS 36 12.705 11.217 9.834 273 2HD LYS 36 HD3 LYS 36 12.948 11.463 8.090 274 1HE LYS 36 HE2 LYS 36 14.938 12.826 8.516 275 2HE LYS 36 HE3 LYS 36 14.694 12.674 10.269 276 1HZ LYS 36 HZ2 LYS 36 15.231 10.437 8.426 277 2HZ LYS 36 HZ3 LYS 36 16.302 11.126 9.469 278 3HZ LYS 36 HZ1 LYS 36 14.987 10.324 10.051 279 H THR 37 H THR 37 8.263 14.086 7.064 280 HA THR 37 HA THR 37 6.241 12.261 7.915 281 HB THR 37 HB THR 37 5.829 14.784 6.269 282 HG1 THR 37 HG1 THR 37 5.982 15.842 8.317 283 1HG2 THR 37 HG21 THR 37 3.853 13.380 6.897 284 2HG2 THR 37 HG22 THR 37 4.329 13.495 8.603 285 3HG2 THR 37 HG23 THR 37 3.828 14.954 7.720 286 H VAL 38 H VAL 38 7.135 10.553 6.461 287 HA VAL 38 HA VAL 38 6.476 10.641 3.593 288 HB VAL 38 HB VAL 38 7.549 8.501 5.452 289 1HG1 VAL 38 HG13 VAL 38 7.072 8.389 2.446 290 2HG1 VAL 38 HG11 VAL 38 8.058 7.236 3.356 291 3HG1 VAL 38 HG12 VAL 38 6.324 7.351 3.668 292 1HG2 VAL 38 HG23 VAL 38 9.069 10.392 4.931 293 2HG2 VAL 38 HG21 VAL 38 9.610 8.885 4.170 294 3HG2 VAL 38 HG22 VAL 38 8.812 10.138 3.208 295 H HIS 39 H HIS 39 4.296 10.866 3.263 296 HA HIS 39 HA HIS 39 2.427 9.071 4.749 297 1HB HIS 39 HB2 HIS 39 2.080 11.476 5.060 298 2HB HIS 39 HB3 HIS 39 1.974 11.711 3.312 299 HD1 HIS 39 HD1 HIS 39 -0.526 12.283 2.990 300 HD2 HIS 39 HD2 HIS 39 0.199 8.924 5.429 301 HE1 HIS 39 HE1 HIS 39 -2.819 11.157 3.411 302 HE2 HIS 39 HE2 HIS 39 -2.325 9.098 4.899 303 H VAL 40 H VAL 40 2.434 7.209 3.506 304 HA VAL 40 HA VAL 40 2.531 7.435 0.554 305 HB VAL 40 HB VAL 40 2.580 4.924 2.254 306 1HG1 VAL 40 HG11 VAL 40 1.970 4.585 -0.127 307 2HG1 VAL 40 HG12 VAL 40 3.444 5.446 -0.614 308 3HG1 VAL 40 HG13 VAL 40 3.555 3.907 0.262 309 1HG2 VAL 40 HG21 VAL 40 4.890 6.626 1.253 310 2HG2 VAL 40 HG22 VAL 40 4.475 6.237 2.939 311 3HG2 VAL 40 HG23 VAL 40 5.044 4.962 1.857 312 H VAL 41 H VAL 41 0.535 7.818 -0.387 313 HA VAL 41 HA VAL 41 -1.886 6.658 0.882 314 HB VAL 41 HB VAL 41 -1.629 8.714 -1.323 315 1HG1 VAL 41 HG12 VAL 41 -3.990 7.762 0.373 316 2HG1 VAL 41 HG13 VAL 41 -4.014 9.176 -0.687 317 3HG1 VAL 41 HG11 VAL 41 -3.813 7.553 -1.383 318 1HG2 VAL 41 HG21 VAL 41 -2.221 8.976 1.667 319 2HG2 VAL 41 HG22 VAL 41 -0.733 9.529 0.883 320 3HG2 VAL 41 HG23 VAL 41 -2.267 10.294 0.486 321 H ALA 42 H ALA 42 -1.760 4.526 0.382 322 HA ALA 42 HA ALA 42 -1.198 3.627 -2.393 323 1HB ALA 42 HB1 ALA 42 -1.368 2.140 0.253 324 2HB ALA 42 HB2 ALA 42 -1.004 1.404 -1.325 325 3HB ALA 42 HB3 ALA 42 0.105 2.599 -0.623 326 H ALA 43 H ALA 43 -2.915 3.350 -3.696 327 HA ALA 43 HA ALA 43 -5.626 2.813 -2.580 328 1HB ALA 43 HB3 ALA 43 -4.642 3.564 -5.354 329 2HB ALA 43 HB1 ALA 43 -6.321 3.172 -4.941 330 3HB ALA 43 HB2 ALA 43 -5.540 4.598 -4.221 331 H ALA 44 H ALA 44 -6.627 0.807 -3.003 332 HA ALA 44 HA ALA 44 -5.009 -1.204 -4.542 333 1HB ALA 44 HB1 ALA 44 -4.475 -1.414 -2.181 334 2HB ALA 44 HB2 ALA 44 -6.175 -1.577 -1.799 335 3HB ALA 44 HB3 ALA 44 -5.381 -2.829 -2.778 336 H VAL 45 H VAL 45 -6.193 -1.424 -6.229 337 HA VAL 45 HA VAL 45 -7.814 -1.964 -7.630 338 HB VAL 45 HB VAL 45 -8.563 -4.018 -5.525 339 1HG1 VAL 45 HG13 VAL 45 -9.930 -3.842 -7.728 340 2HG1 VAL 45 HG11 VAL 45 -8.404 -4.165 -8.535 341 3HG1 VAL 45 HG12 VAL 45 -9.105 -5.396 -7.466 342 1HG2 VAL 45 HG22 VAL 45 -6.238 -4.024 -7.521 343 2HG2 VAL 45 HG23 VAL 45 -6.114 -4.037 -5.747 344 3HG2 VAL 45 HG21 VAL 45 -6.800 -5.424 -6.593 345 H LEU 46 H LEU 46 -8.606 0.249 -7.025 346 HA LEU 46 HA LEU 46 -11.200 0.427 -5.700 347 1HB LEU 46 HB2 LEU 46 -10.031 2.378 -7.721 348 2HB LEU 46 HB3 LEU 46 -11.181 2.726 -6.434 349 HG LEU 46 HG LEU 46 -8.226 2.097 -6.084 350 1HD1 LEU 46 HD13 LEU 46 -9.877 4.642 -5.759 351 2HD1 LEU 46 HD11 LEU 46 -8.164 4.486 -5.346 352 3HD1 LEU 46 HD12 LEU 46 -8.683 4.313 -7.031 353 1HD2 LEU 46 HD22 LEU 46 -9.543 1.249 -4.145 354 2HD2 LEU 46 HD23 LEU 46 -8.560 2.660 -3.729 355 3HD2 LEU 46 HD21 LEU 46 -10.305 2.854 -3.994 356 HA PRO 47 HA PRO 47 -13.888 -0.618 -9.125 357 1HB PRO 47 HB2 PRO 47 -14.839 2.262 -9.101 358 2HB PRO 47 HB3 PRO 47 -15.810 0.771 -9.290 359 1HG PRO 47 HG2 PRO 47 -15.675 1.945 -6.859 360 2HG PRO 47 HG3 PRO 47 -15.435 0.174 -6.978 361 1HD PRO 47 HD2 PRO 47 -13.341 2.334 -6.748 362 2HD PRO 47 HD3 PRO 47 -13.445 0.774 -5.874 363 H GLY 48 H GLY 48 -12.260 2.557 -9.541 364 1HA GLY 48 HA2 GLY 48 -12.284 2.687 -12.367 365 2HA GLY 48 HA3 GLY 48 -11.118 3.471 -11.290 366 H PHE 49 H PHE 49 -10.391 0.636 -10.254 367 HA PHE 49 HA PHE 49 -8.555 -0.172 -12.479 368 1HB PHE 49 HB2 PHE 49 -8.004 -0.073 -9.501 369 2HB PHE 49 HB3 PHE 49 -6.918 -0.672 -10.747 370 HD1 PHE 49 HD1 PHE 49 -6.217 1.002 -12.631 371 HD2 PHE 49 HD2 PHE 49 -7.954 2.232 -8.878 372 HE1 PHE 49 HE1 PHE 49 -5.266 3.274 -12.926 373 HE2 PHE 49 HE2 PHE 49 -7.004 4.498 -9.183 374 HZ PHE 49 HZ PHE 49 -5.644 5.019 -11.197 375 HA PRO 50 HA PRO 50 -11.304 -3.610 -10.934 376 1HB PRO 50 HB2 PRO 50 -12.190 -4.628 -13.297 377 2HB PRO 50 HB3 PRO 50 -12.847 -3.127 -12.588 378 1HG PRO 50 HG2 PRO 50 -10.668 -3.342 -14.690 379 2HG PRO 50 HG3 PRO 50 -12.171 -2.370 -14.771 380 1HD PRO 50 HD2 PRO 50 -9.834 -1.269 -13.964 381 2HD PRO 50 HD3 PRO 50 -11.368 -0.839 -13.152 382 H PHE 51 H PHE 51 -9.020 -4.079 -10.329 383 HA PHE 51 HA PHE 51 -7.509 -5.661 -9.870 384 1HB PHE 51 HB2 PHE 51 -9.065 -7.343 -11.873 385 2HB PHE 51 HB3 PHE 51 -7.631 -7.938 -11.119 386 HD1 PHE 51 HD1 PHE 51 -11.104 -6.810 -10.484 387 HD2 PHE 51 HD2 PHE 51 -7.579 -8.616 -8.767 388 HE1 PHE 51 HE1 PHE 51 -12.379 -7.370 -8.428 389 HE2 PHE 51 HE2 PHE 51 -8.866 -9.165 -6.723 390 HZ PHE 51 HZ PHE 51 -11.240 -8.499 -6.527 391 HA PRO 52 HA PRO 52 -6.007 -7.269 -9.837 392 1HB PRO 52 HB2 PRO 52 -3.794 -8.615 -10.341 393 2HB PRO 52 HB3 PRO 52 -5.167 -8.768 -11.473 394 1HG PRO 52 HG2 PRO 52 -2.700 -7.028 -11.783 395 2HG PRO 52 HG3 PRO 52 -3.433 -8.122 -12.985 396 1HD PRO 52 HD2 PRO 52 -3.964 -5.361 -12.807 397 2HD PRO 52 HD3 PRO 52 -5.053 -6.558 -13.547 398 H SER 53 H SER 53 -3.689 -4.763 -10.729 399 HA SER 53 HA SER 53 -1.935 -5.364 -8.464 400 1HB SER 53 HB2 SER 53 -0.330 -4.127 -9.632 401 2HB SER 53 HB3 SER 53 -1.120 -5.210 -10.742 402 HG SER 53 HG SER 53 -0.971 -3.134 -11.650 403 H PHE 54 H PHE 54 -0.860 -3.365 -7.372 404 HA PHE 54 HA PHE 54 -2.967 -1.856 -5.985 405 1HB PHE 54 HB2 PHE 54 0.093 -1.756 -5.837 406 2HB PHE 54 HB3 PHE 54 -0.976 -0.816 -4.835 407 HD1 PHE 54 HD2 PHE 54 -2.772 -2.023 -3.463 408 HD2 PHE 54 HD1 PHE 54 0.940 -3.767 -4.769 409 HE1 PHE 54 HE2 PHE 54 -2.820 -3.600 -1.521 410 HE2 PHE 54 HE1 PHE 54 0.959 -5.220 -2.761 411 HZ PHE 54 HZ PHE 54 -0.916 -5.111 -1.115 412 H GLU 55 H GLU 55 -2.626 0.635 -5.738 413 HA GLU 55 HA GLU 55 -1.286 1.808 -8.065 414 1HB GLU 55 HB2 GLU 55 -3.890 3.083 -7.442 415 2HB GLU 55 HB3 GLU 55 -2.901 2.957 -8.914 416 1HG GLU 55 HG2 GLU 55 -4.815 1.740 -9.391 417 2HG GLU 55 HG3 GLU 55 -3.590 0.521 -9.106 418 HE2 GLU 55 HE GLU 55 -4.497 -1.181 -7.978 419 H VAL 56 H VAL 56 -0.527 4.037 -7.651 420 HA VAL 56 HA VAL 56 -0.369 4.707 -4.747 421 HB VAL 56 HB VAL 56 1.991 4.283 -6.627 422 1HG1 VAL 56 HG12 VAL 56 1.819 5.175 -3.712 423 2HG1 VAL 56 HG13 VAL 56 3.309 4.614 -4.492 424 3HG1 VAL 56 HG11 VAL 56 2.525 6.062 -5.088 425 1HG2 VAL 56 HG21 VAL 56 1.044 2.679 -4.211 426 2HG2 VAL 56 HG22 VAL 56 1.103 2.108 -5.895 427 3HG2 VAL 56 HG23 VAL 56 2.596 2.461 -5.041 428 H HIS 57 H HIS 57 -1.866 6.269 -5.407 429 HA HIS 57 HA HIS 57 -2.630 8.250 -6.027 430 1HB HIS 57 HB2 HIS 57 -1.220 10.181 -5.349 431 2HB HIS 57 HB3 HIS 57 -1.403 8.905 -4.144 432 HD1 HIS 57 HD1 HIS 57 1.321 10.558 -6.253 433 HD2 HIS 57 HD2 HIS 57 0.715 7.557 -3.346 434 HE1 HIS 57 HE1 HIS 57 3.645 9.856 -5.427 435 HE2 HIS 57 HE2 HIS 57 3.250 8.081 -3.603 436 H ASP 58 H ASP 58 0.641 8.551 -7.374 437 HA ASP 58 HA ASP 58 -0.527 9.802 -9.843 438 1HB ASP 58 HB2 ASP 58 1.071 11.262 -8.705 439 2HB ASP 58 HB3 ASP 58 2.311 9.985 -8.772 440 HD1 ASP 58 HD ASP 58 2.882 10.439 -12.182 441 H LYS 59 H LYS 59 1.498 7.232 -8.529 442 HA LYS 59 HA LYS 59 1.854 6.023 -11.240 443 1HB LYS 59 HB2 LYS 59 3.667 6.027 -8.793 444 2HB LYS 59 HB3 LYS 59 3.961 5.013 -10.190 445 1HG LYS 59 HG2 LYS 59 3.928 8.053 -10.230 446 2HG LYS 59 HG3 LYS 59 5.352 7.008 -10.272 447 1HD LYS 59 HD2 LYS 59 3.294 7.202 -12.487 448 2HD LYS 59 HD3 LYS 59 4.947 7.821 -12.456 449 1HE LYS 59 HE2 LYS 59 5.726 5.418 -11.973 450 2HE LYS 59 HE3 LYS 59 4.090 4.902 -12.440 451 1HZ LYS 59 HZ3 LYS 59 4.445 6.048 -14.546 452 2HZ LYS 59 HZ1 LYS 59 5.999 6.390 -14.087 453 3HZ LYS 59 HZ2 LYS 59 5.527 4.824 -14.304 454 H LYS 60 H LYS 60 2.787 3.569 -10.048 455 HA LYS 60 HA LYS 60 0.600 2.550 -8.438 456 1HB LYS 60 HB2 LYS 60 1.327 1.295 -11.132 457 2HB LYS 60 HB3 LYS 60 0.061 0.776 -10.014 458 1HG LYS 60 HG2 LYS 60 -1.176 2.922 -10.492 459 2HG LYS 60 HG3 LYS 60 0.092 3.330 -11.644 460 1HD LYS 60 HD2 LYS 60 -1.500 2.512 -13.030 461 2HD LYS 60 HD3 LYS 60 -0.447 1.113 -12.853 462 1HE LYS 60 HE2 LYS 60 -3.066 1.578 -11.318 463 2HE LYS 60 HE3 LYS 60 -2.923 0.652 -12.814 464 1HZ LYS 60 HZ3 LYS 60 -1.390 -0.822 -11.678 465 2HZ LYS 60 HZ1 LYS 60 -1.698 -0.057 -10.247 466 3HZ LYS 60 HZ2 LYS 60 -2.902 -0.835 -11.044 467 H ASN 61 H ASN 61 1.236 0.005 -8.531 468 HA ASN 61 HA ASN 61 2.962 -0.955 -7.004 469 1HB ASN 61 HB2 ASN 61 3.091 -1.986 -9.853 470 2HB ASN 61 HB3 ASN 61 3.465 -2.884 -8.421 471 1HD2 ASN 61 HD22 ASN 61 -0.433 -1.864 -9.355 472 2HD2 ASN 61 HD21 ASN 61 0.896 -1.174 -10.231 473 HA PRO 62 HA PRO 62 7.124 0.128 -9.918 474 1HB PRO 62 HB2 PRO 62 5.488 2.664 -10.166 475 2HB PRO 62 HB3 PRO 62 6.984 2.241 -11.053 476 1HG PRO 62 HG2 PRO 62 4.534 1.657 -12.111 477 2HG PRO 62 HG3 PRO 62 5.892 0.503 -12.253 478 1HD PRO 62 HD2 PRO 62 3.456 0.246 -10.652 479 2HD PRO 62 HD3 PRO 62 4.652 -0.983 -11.097 480 H THR 63 H THR 63 8.708 0.563 -8.678 481 HA THR 63 HA THR 63 8.920 0.611 -6.138 482 HB THR 63 HB THR 63 10.579 2.110 -8.183 483 HG1 THR 63 HG1 THR 63 11.495 0.102 -8.495 484 1HG2 THR 63 HG21 THR 63 11.186 1.128 -5.425 485 2HG2 THR 63 HG22 THR 63 12.479 1.223 -6.661 486 3HG2 THR 63 HG23 THR 63 11.599 2.698 -6.209 487 H LEU 64 H LEU 64 9.195 1.849 -4.355 488 HA LEU 64 HA LEU 64 8.579 4.769 -4.450 489 1HB LEU 64 HB2 LEU 64 8.019 2.586 -2.423 490 2HB LEU 64 HB3 LEU 64 8.129 4.283 -1.954 491 HG LEU 64 HG LEU 64 6.328 4.919 -3.424 492 1HD1 LEU 64 HD11 LEU 64 6.383 2.032 -4.337 493 2HD1 LEU 64 HD12 LEU 64 4.896 2.981 -4.421 494 3HD1 LEU 64 HD13 LEU 64 6.322 3.528 -5.295 495 1HD2 LEU 64 HD22 LEU 64 5.835 4.146 -1.116 496 2HD2 LEU 64 HD23 LEU 64 4.500 3.771 -2.220 497 3HD2 LEU 64 HD21 LEU 64 5.619 2.487 -1.718 498 H GLU 65 H GLU 65 10.191 6.077 -3.731 499 HA GLU 65 HA GLU 65 12.543 4.880 -2.306 500 1HB GLU 65 HB2 GLU 65 12.464 7.487 -3.849 501 2HB GLU 65 HB3 GLU 65 13.870 6.694 -3.119 502 1HG GLU 65 HG2 GLU 65 13.383 4.693 -4.639 503 2HG GLU 65 HG3 GLU 65 12.182 5.705 -5.453 504 HE1 GLU 65 HE GLU 65 13.204 7.973 -5.937 505 H ILE 66 H ILE 66 13.118 5.693 -0.343 506 HA ILE 66 HA ILE 66 11.413 7.787 0.899 507 HB ILE 66 HB ILE 66 12.039 4.925 1.641 508 1HG1 ILE 66 HG12 ILE 66 9.495 6.599 1.492 509 2HG1 ILE 66 HG13 ILE 66 10.007 5.297 0.410 510 1HG2 ILE 66 HG21 ILE 66 12.680 6.183 3.675 511 2HG2 ILE 66 HG22 ILE 66 11.103 7.008 3.661 512 3HG2 ILE 66 HG23 ILE 66 11.220 5.263 3.937 513 1HD1 ILE 66 HD13 ILE 66 9.905 3.736 2.428 514 2HD1 ILE 66 HD11 ILE 66 9.052 5.044 3.269 515 3HD1 ILE 66 HD12 ILE 66 8.356 4.347 1.802 516 HA PRO 67 HA PRO 67 15.438 8.986 2.589 517 1HB PRO 67 HB2 PRO 67 14.681 10.961 4.285 518 2HB PRO 67 HB3 PRO 67 14.623 11.154 2.506 519 1HG PRO 67 HG2 PRO 67 12.350 10.452 4.362 520 2HG PRO 67 HG3 PRO 67 12.361 11.665 3.063 521 1HD PRO 67 HD2 PRO 67 11.365 9.128 2.744 522 2HD PRO 67 HD3 PRO 67 12.143 10.012 1.399 523 H ALA 68 H ALA 68 16.443 7.767 4.106 524 HA ALA 68 HA ALA 68 15.183 6.006 5.829 525 1HB ALA 68 HB1 ALA 68 17.525 5.794 5.085 526 2HB ALA 68 HB2 ALA 68 17.980 7.180 6.100 527 3HB ALA 68 HB3 ALA 68 17.406 5.676 6.852 528 H GLY 69 H GLY 69 14.780 5.844 8.014 529 1HA GLY 69 HA2 GLY 69 14.359 6.511 10.155 530 2HA GLY 69 HA3 GLY 69 15.245 8.015 9.879 531 H ALA 70 H ALA 70 12.929 7.776 7.387 532 HA ALA 70 HA ALA 70 11.224 9.776 8.451 533 1HB ALA 70 HB1 ALA 70 10.878 7.727 6.221 534 2HB ALA 70 HB2 ALA 70 9.728 9.028 6.569 535 3HB ALA 70 HB3 ALA 70 11.385 9.429 6.074 536 H THR 71 H THR 71 8.937 9.623 8.845 537 HA THR 71 HA THR 71 8.162 7.199 10.415 538 HB THR 71 HB THR 71 6.930 9.986 10.366 539 HG1 THR 71 HG1 THR 71 9.050 9.797 11.310 540 1HG2 THR 71 HG23 THR 71 6.438 7.473 12.039 541 2HG2 THR 71 HG21 THR 71 5.852 9.094 12.488 542 3HG2 THR 71 HG22 THR 71 5.289 8.329 10.998 543 H VAL 72 H VAL 72 7.729 5.850 8.710 544 HA VAL 72 HA VAL 72 6.387 6.772 6.303 545 HB VAL 72 HB VAL 72 7.235 3.967 7.168 546 1HG1 VAL 72 HG13 VAL 72 6.506 5.148 4.435 547 2HG1 VAL 72 HG11 VAL 72 7.084 3.497 4.739 548 3HG1 VAL 72 HG12 VAL 72 5.509 4.010 5.356 549 1HG2 VAL 72 HG21 VAL 72 8.600 6.097 5.439 550 2HG2 VAL 72 HG22 VAL 72 9.173 5.522 7.009 551 3HG2 VAL 72 HG23 VAL 72 9.134 4.417 5.623 552 H ASP 73 H ASP 73 4.389 7.375 6.667 553 HA ASP 73 HA ASP 73 2.484 5.737 8.260 554 1HB ASP 73 HB2 ASP 73 2.346 8.550 7.140 555 2HB ASP 73 HB3 ASP 73 0.996 7.699 7.907 556 HD2 ASP 73 HD ASP 73 4.326 8.864 8.655 557 H VAL 74 H VAL 74 2.101 4.003 6.958 558 HA VAL 74 HA VAL 74 1.558 4.326 4.093 559 HB VAL 74 HB VAL 74 1.411 1.889 5.858 560 1HG1 VAL 74 HG13 VAL 74 1.437 2.226 2.815 561 2HG1 VAL 74 HG11 VAL 74 1.564 0.671 3.652 562 3HG1 VAL 74 HG12 VAL 74 0.080 1.620 3.789 563 1HG2 VAL 74 HG23 VAL 74 3.647 2.936 4.079 564 2HG2 VAL 74 HG21 VAL 74 3.692 2.682 5.844 565 3HG2 VAL 74 HG22 VAL 74 3.596 1.298 4.756 566 H THR 75 H THR 75 -0.286 5.204 3.597 567 HA THR 75 HA THR 75 -2.702 4.703 5.184 568 HB THR 75 HB THR 75 -1.948 6.903 3.245 569 HG1 THR 75 HG1 THR 75 -1.044 6.942 5.312 570 1HG2 THR 75 HG21 THR 75 -4.578 6.520 4.748 571 2HG2 THR 75 HG22 THR 75 -4.076 8.001 3.918 572 3HG2 THR 75 HG23 THR 75 -4.359 6.522 2.993 573 H PHE 76 H PHE 76 -3.728 2.943 4.445 574 HA PHE 76 HA PHE 76 -3.696 2.277 1.570 575 1HB PHE 76 HB2 PHE 76 -4.958 1.021 4.032 576 2HB PHE 76 HB3 PHE 76 -5.569 0.601 2.472 577 HD1 PHE 76 HD2 PHE 76 -3.028 0.426 0.788 578 HD2 PHE 76 HD1 PHE 76 -4.297 -1.301 4.532 579 HE1 PHE 76 HE2 PHE 76 -3.195 -1.738 -0.277 580 HE2 PHE 76 HE1 PHE 76 -4.387 -3.522 3.446 581 HZ PHE 76 HZ PHE 76 -4.046 -3.715 0.990 582 H ILE 77 H ILE 77 -5.433 2.312 0.248 583 HA ILE 77 HA ILE 77 -8.139 2.829 1.343 584 HB ILE 77 HB ILE 77 -7.013 4.271 -1.102 585 1HG1 ILE 77 HG12 ILE 77 -8.572 6.035 0.415 586 2HG1 ILE 77 HG13 ILE 77 -7.894 5.050 1.680 587 1HG2 ILE 77 HG21 ILE 77 -9.283 3.277 -1.585 588 2HG2 ILE 77 HG22 ILE 77 -9.860 4.032 -0.087 589 3HG2 ILE 77 HG23 ILE 77 -9.329 5.029 -1.466 590 1HD1 ILE 77 HD13 ILE 77 -5.584 5.511 0.738 591 2HD1 ILE 77 HD11 ILE 77 -6.352 6.574 -0.470 592 3HD1 ILE 77 HD12 ILE 77 -6.446 6.976 1.257 593 H ASN 78 H ASN 78 -8.129 0.594 1.452 594 HA ASN 78 HA ASN 78 -8.082 -0.869 -1.161 595 1HB ASN 78 HB2 ASN 78 -6.476 -1.843 0.404 596 2HB ASN 78 HB3 ASN 78 -7.703 -2.070 1.629 597 1HD2 ASN 78 HD22 ASN 78 -9.229 -4.920 0.025 598 2HD2 ASN 78 HD21 ASN 78 -9.268 -3.773 1.348 599 H THR 79 H THR 79 -10.027 -0.007 -1.736 600 HA THR 79 HA THR 79 -12.394 -0.806 -0.106 601 HB THR 79 HB THR 79 -13.463 1.095 -1.257 602 HG1 THR 79 HG1 THR 79 -12.311 1.075 -3.182 603 1HG2 THR 79 HG22 THR 79 -12.026 1.322 0.855 604 2HG2 THR 79 HG23 THR 79 -10.711 1.887 -0.173 605 3HG2 THR 79 HG21 THR 79 -12.213 2.799 -0.104 606 H ASN 80 H ASN 80 -10.923 -2.641 -1.805 607 HA ASN 80 HA ASN 80 -12.529 -2.966 -4.213 608 1HB ASN 80 HB2 ASN 80 -10.076 -3.598 -3.978 609 2HB ASN 80 HB3 ASN 80 -10.575 -4.893 -2.893 610 1HD2 ASN 80 HD21 ASN 80 -11.995 -5.094 -6.791 611 2HD2 ASN 80 HD22 ASN 80 -11.611 -3.533 -6.063 612 H LYS 81 H LYS 81 -14.443 -2.806 -2.950 613 HA LYS 81 HA LYS 81 -15.446 -4.003 -0.805 614 1HB LYS 81 HB2 LYS 81 -16.857 -3.527 -3.434 615 2HB LYS 81 HB3 LYS 81 -17.702 -4.038 -1.959 616 1HG LYS 81 HG2 LYS 81 -16.840 -2.128 -0.718 617 2HG LYS 81 HG3 LYS 81 -15.929 -1.561 -2.132 618 1HD LYS 81 HD2 LYS 81 -18.025 -1.170 -3.363 619 2HD LYS 81 HD3 LYS 81 -18.954 -1.877 -2.030 620 1HE LYS 81 HE2 LYS 81 -19.082 0.552 -1.870 621 2HE LYS 81 HE3 LYS 81 -18.158 -0.086 -0.501 622 1HZ LYS 81 HZ2 LYS 81 -16.153 0.512 -1.680 623 2HZ LYS 81 HZ3 LYS 81 -17.037 1.150 -2.914 624 3HZ LYS 81 HZ1 LYS 81 -17.113 1.819 -1.408 625 H GLY 82 H GLY 82 -14.998 -5.990 -0.100 626 1HA GLY 82 HA2 GLY 82 -16.060 -8.267 -0.086 627 2HA GLY 82 HA3 GLY 82 -15.582 -8.399 -1.782 628 H PHE 83 H PHE 83 -13.047 -7.176 -1.680 629 HA PHE 83 HA PHE 83 -11.523 -9.452 -0.545 630 1HB PHE 83 HB2 PHE 83 -10.857 -7.376 -2.626 631 2HB PHE 83 HB3 PHE 83 -9.785 -8.674 -2.116 632 HD1 PHE 83 HD2 PHE 83 -12.976 -7.905 -3.885 633 HD2 PHE 83 HD1 PHE 83 -10.095 -10.963 -2.890 634 HE1 PHE 83 HE2 PHE 83 -14.027 -9.434 -5.521 635 HE2 PHE 83 HE1 PHE 83 -11.114 -12.462 -4.581 636 HZ PHE 83 HZ PHE 83 -13.080 -11.702 -5.898 637 H GLY 84 H GLY 84 -10.931 -8.992 1.537 638 1HA GLY 84 HA2 GLY 84 -10.080 -6.533 2.585 639 2HA GLY 84 HA3 GLY 84 -9.643 -8.120 3.209 640 H HIS 85 H HIS 85 -8.397 -8.455 0.292 641 HA HIS 85 HA HIS 85 -6.370 -8.794 -0.416 642 1HB HIS 85 HB2 HIS 85 -6.650 -5.817 -0.248 643 2HB HIS 85 HB3 HIS 85 -5.231 -6.578 -0.944 644 HD2 HIS 85 HD2 HIS 85 -8.746 -5.671 -1.863 645 HE1 HIS 85 HE1 HIS 85 -7.308 -7.976 -5.111 646 HE2 HIS 85 HE2 HIS 85 -9.230 -6.536 -4.279 647 H SER 86 H SER 86 -5.650 -6.241 1.921 648 HA SER 86 HA SER 86 -4.135 -6.009 3.522 649 1HB SER 86 HB2 SER 86 -2.616 -7.633 4.339 650 2HB SER 86 HB3 SER 86 -4.135 -8.473 4.034 651 HG SER 86 HG SER 86 -3.145 -9.272 2.144 652 H PHE 87 H PHE 87 -1.929 -5.297 3.778 653 HA PHE 87 HA PHE 87 -0.271 -5.103 1.327 654 1HB PHE 87 HB2 PHE 87 -1.472 -2.927 2.176 655 2HB PHE 87 HB3 PHE 87 -0.422 -3.020 3.559 656 HD1 PHE 87 HD2 PHE 87 -0.686 -2.423 -0.072 657 HD2 PHE 87 HD1 PHE 87 2.004 -2.493 3.294 658 HE1 PHE 87 HE2 PHE 87 0.922 -1.034 -1.339 659 HE2 PHE 87 HE1 PHE 87 3.579 -1.026 2.046 660 HZ PHE 87 HZ PHE 87 3.037 -0.288 -0.259 661 H ASP 88 H ASP 88 1.757 -6.028 1.863 662 HA ASP 88 HA ASP 88 2.465 -6.418 4.757 663 1HB ASP 88 HB2 ASP 88 2.611 -8.475 2.519 664 2HB ASP 88 HB3 ASP 88 3.031 -8.707 4.222 665 HD2 ASP 88 HD ASP 88 -0.803 -8.760 3.064 666 H ILE 89 H ILE 89 4.420 -5.507 5.099 667 HA ILE 89 HA ILE 89 6.250 -5.094 2.817 668 HB ILE 89 HB ILE 89 6.287 -3.796 5.568 669 1HG1 ILE 89 HG12 ILE 89 5.311 -2.815 2.849 670 2HG1 ILE 89 HG13 ILE 89 4.325 -3.100 4.291 671 1HG2 ILE 89 HG23 ILE 89 7.911 -3.350 3.025 672 2HG2 ILE 89 HG21 ILE 89 7.968 -2.338 4.483 673 3HG2 ILE 89 HG22 ILE 89 8.525 -3.995 4.561 674 1HD1 ILE 89 HD12 ILE 89 5.678 -1.309 5.480 675 2HD1 ILE 89 HD13 ILE 89 6.377 -0.901 3.899 676 3HD1 ILE 89 HD11 ILE 89 4.641 -0.757 4.155 677 H THR 90 H THR 90 8.020 -6.290 2.618 678 HA THR 90 HA THR 90 9.550 -7.275 4.834 679 HB THR 90 HB THR 90 7.846 -8.908 4.966 680 HG1 THR 90 HG1 THR 90 9.328 -10.341 5.256 681 1HG2 THR 90 HG22 THR 90 8.300 -9.525 2.001 682 2HG2 THR 90 HG23 THR 90 7.346 -10.519 3.113 683 3HG2 THR 90 HG21 THR 90 6.825 -8.869 2.736 684 H LYS 91 H LYS 91 10.536 -9.440 2.860 685 HA LYS 91 HA LYS 91 11.852 -7.573 0.897 686 1HB LYS 91 HB2 LYS 91 13.145 -9.804 2.505 687 2HB LYS 91 HB3 LYS 91 13.932 -8.906 1.181 688 1HG LYS 91 HG2 LYS 91 13.582 -6.785 2.410 689 2HG LYS 91 HG3 LYS 91 12.871 -7.659 3.762 690 1HD LYS 91 HD2 LYS 91 15.725 -7.937 2.707 691 2HD LYS 91 HD3 LYS 91 15.230 -7.072 4.162 692 1HE LYS 91 HE2 LYS 91 15.080 -10.090 3.704 693 2HE LYS 91 HE3 LYS 91 16.161 -9.220 4.793 694 1HZ LYS 91 HZ1 LYS 91 14.242 -8.501 6.032 695 2HZ LYS 91 HZ2 LYS 91 13.239 -9.352 5.038 696 3HZ LYS 91 HZ3 LYS 91 14.337 -10.144 5.975 697 H LYS 92 H LYS 92 12.882 -10.795 0.694 698 HA LYS 92 HA LYS 92 12.688 -12.402 -0.834 699 1HB LYS 92 HB2 LYS 92 9.828 -11.471 -1.294 700 2HB LYS 92 HB3 LYS 92 10.571 -12.946 -1.902 701 1HG LYS 92 HG2 LYS 92 11.009 -13.673 0.438 702 2HG LYS 92 HG3 LYS 92 10.131 -12.251 1.039 703 1HD LYS 92 HD2 LYS 92 8.934 -14.299 -0.894 704 2HD LYS 92 HD3 LYS 92 8.819 -14.460 0.853 705 1HE LYS 92 HE2 LYS 92 7.583 -12.360 1.048 706 2HE LYS 92 HE3 LYS 92 7.739 -12.053 -0.690 707 1HZ LYS 92 HZ1 LYS 92 6.402 -14.391 0.461 708 2HZ LYS 92 HZ2 LYS 92 5.628 -13.030 -0.076 709 3HZ LYS 92 HZ3 LYS 92 6.468 -13.979 -1.130 710 H GLY 93 H GLY 93 10.835 -9.701 -2.268 711 1HA GLY 93 HA2 GLY 93 11.293 -8.459 -4.171 712 2HA GLY 93 HA3 GLY 93 12.775 -9.379 -4.474 713 HA PRO 94 HA PRO 94 9.162 -11.006 -7.096 714 1HB PRO 94 HB2 PRO 94 9.644 -9.846 -9.542 715 2HB PRO 94 HB3 PRO 94 8.688 -9.039 -8.267 716 1HG PRO 94 HG2 PRO 94 11.639 -8.684 -8.871 717 2HG PRO 94 HG3 PRO 94 10.405 -7.403 -8.679 718 1HD PRO 94 HD2 PRO 94 12.039 -8.150 -6.625 719 2HD PRO 94 HD3 PRO 94 10.320 -7.731 -6.329 720 HA PRO 95 HA PRO 95 8.565 -12.070 -9.220 721 1HB PRO 95 HB2 PRO 95 8.308 -14.637 -10.051 722 2HB PRO 95 HB3 PRO 95 9.125 -13.394 -11.043 723 1HG PRO 95 HG2 PRO 95 10.420 -15.440 -9.216 724 2HG PRO 95 HG3 PRO 95 10.845 -15.064 -10.910 725 1HD PRO 95 HD2 PRO 95 12.171 -13.958 -8.768 726 2HD PRO 95 HD3 PRO 95 11.904 -13.039 -10.274 727 H TYR 96 H TYR 96 6.917 -12.422 -7.749 728 HA TYR 96 HA TYR 96 7.513 -13.898 -5.284 729 1HB TYR 96 HB2 TYR 96 5.017 -12.468 -6.168 730 2HB TYR 96 HB3 TYR 96 5.322 -13.117 -4.564 731 HD1 TYR 96 HD1 TYR 96 7.212 -12.196 -3.164 732 HD2 TYR 96 HD2 TYR 96 5.979 -10.321 -6.847 733 HE1 TYR 96 HE1 TYR 96 8.452 -10.141 -2.538 734 HE2 TYR 96 HE2 TYR 96 7.371 -8.351 -6.290 735 HH TYR 96 HH TYR 96 9.090 -8.042 -3.187 736 H ALA 97 H ALA 97 6.216 -15.624 -4.529 737 HA ALA 97 HA ALA 97 5.549 -17.537 -6.650 738 1HB ALA 97 HB1 ALA 97 5.569 -17.781 -3.611 739 2HB ALA 97 HB2 ALA 97 5.292 -19.120 -4.743 740 3HB ALA 97 HB3 ALA 97 6.861 -18.287 -4.719 741 H VAL 98 H VAL 98 3.543 -18.577 -6.873 742 HA VAL 98 HA VAL 98 1.208 -16.977 -6.534 743 HB VAL 98 HB VAL 98 1.564 -19.944 -7.115 744 1HG1 VAL 98 HG12 VAL 98 -0.939 -18.212 -7.354 745 2HG1 VAL 98 HG13 VAL 98 -0.764 -19.858 -7.992 746 3HG1 VAL 98 HG11 VAL 98 -0.715 -19.586 -6.250 747 1HG2 VAL 98 HG23 VAL 98 0.990 -17.563 -8.939 748 2HG2 VAL 98 HG21 VAL 98 2.529 -18.444 -8.841 749 3HG2 VAL 98 HG22 VAL 98 1.084 -19.261 -9.447 750 H MET 99 H MET 99 2.636 -19.635 -4.626 751 HA MET 99 HA MET 99 0.501 -19.541 -2.629 752 1HB MET 99 HB2 MET 99 3.231 -20.893 -2.661 753 2HB MET 99 HB3 MET 99 2.054 -21.050 -1.357 754 1HG MET 99 HG2 MET 99 1.657 -21.896 -4.258 755 2HG MET 99 HG3 MET 99 1.947 -22.968 -2.892 756 1HE MET 99 HE1 MET 99 0.183 -23.467 -0.981 757 2HE MET 99 HE2 MET 99 -0.034 -21.733 -0.622 758 3HE MET 99 HE3 MET 99 -1.448 -22.759 -0.937 759 HA PRO 100 HA PRO 100 2.529 -15.922 -0.974 760 1HB PRO 100 HB2 PRO 100 0.950 -15.330 1.142 761 2HB PRO 100 HB3 PRO 100 0.371 -15.280 -0.547 762 1HG PRO 100 HG2 PRO 100 0.033 -17.560 1.428 763 2HG PRO 100 HG3 PRO 100 -1.240 -16.748 0.470 764 1HD PRO 100 HD2 PRO 100 -0.022 -19.063 -0.366 765 2HD PRO 100 HD3 PRO 100 -0.515 -17.797 -1.527 766 H VAL 101 H VAL 101 4.369 -17.500 -0.623 767 HA VAL 101 HA VAL 101 4.854 -18.385 2.122 768 HB VAL 101 HB VAL 101 6.787 -18.056 -0.214 769 1HG1 VAL 101 HG12 VAL 101 7.000 -19.655 2.385 770 2HG1 VAL 101 HG13 VAL 101 8.166 -19.692 1.047 771 3HG1 VAL 101 HG11 VAL 101 7.954 -18.213 1.984 772 1HG2 VAL 101 HG23 VAL 101 5.215 -20.488 0.755 773 2HG2 VAL 101 HG21 VAL 101 4.992 -19.650 -0.792 774 3HG2 VAL 101 HG22 VAL 101 6.495 -20.515 -0.475 775 H ILE 102 H ILE 102 4.159 -16.299 3.009 776 HA ILE 102 HA ILE 102 5.782 -13.948 2.558 777 HB ILE 102 HB ILE 102 4.647 -13.102 4.581 778 1HG1 ILE 102 HG12 ILE 102 2.535 -15.243 4.169 779 2HG1 ILE 102 HG13 ILE 102 3.867 -15.558 5.284 780 1HG2 ILE 102 HG22 ILE 102 4.027 -12.525 2.247 781 2HG2 ILE 102 HG23 ILE 102 2.853 -13.858 2.235 782 3HG2 ILE 102 HG21 ILE 102 2.644 -12.479 3.334 783 1HD1 ILE 102 HD13 ILE 102 2.060 -13.123 5.487 784 2HD1 ILE 102 HD11 ILE 102 1.874 -14.620 6.423 785 3HD1 ILE 102 HD12 ILE 102 3.326 -13.620 6.626 786 H ASP 103 H ASP 103 7.790 -14.550 2.878 787 HA ASP 103 HA ASP 103 8.992 -15.556 5.265 788 1HB ASP 103 HB2 ASP 103 10.016 -13.674 3.090 789 2HB ASP 103 HB3 ASP 103 11.022 -14.091 4.471 790 HD1 ASP 103 HD ASP 103 11.263 -17.505 3.559 791 HA PRO 104 HA PRO 104 8.200 -13.178 8.631 792 1HB PRO 104 HB2 PRO 104 11.020 -12.074 8.459 793 2HB PRO 104 HB3 PRO 104 10.070 -12.413 9.942 794 1HG PRO 104 HG2 PRO 104 11.723 -14.331 8.972 795 2HG PRO 104 HG3 PRO 104 10.071 -14.773 9.488 796 1HD PRO 104 HD2 PRO 104 11.146 -14.502 6.715 797 2HD PRO 104 HD3 PRO 104 9.849 -15.560 7.339 798 H ILE 105 H ILE 105 6.731 -11.623 8.590 799 HA ILE 105 HA ILE 105 6.952 -9.358 6.781 800 HB ILE 105 HB ILE 105 4.856 -10.218 8.790 801 1HG1 ILE 105 HG12 ILE 105 4.912 -11.729 6.910 802 2HG1 ILE 105 HG13 ILE 105 3.496 -10.689 6.768 803 1HG2 ILE 105 HG21 ILE 105 4.845 -7.848 6.896 804 2HG2 ILE 105 HG22 ILE 105 3.382 -8.526 7.640 805 3HG2 ILE 105 HG23 ILE 105 4.649 -7.838 8.657 806 1HD1 ILE 105 HD12 ILE 105 5.014 -9.224 5.179 807 2HD1 ILE 105 HD13 ILE 105 6.035 -10.673 5.132 808 3HD1 ILE 105 HD11 ILE 105 4.352 -10.762 4.589 809 H VAL 106 H VAL 106 7.542 -7.327 7.247 810 HA VAL 106 HA VAL 106 8.546 -6.757 9.980 811 HB VAL 106 HB VAL 106 8.646 -5.163 7.371 812 1HG1 VAL 106 HG13 VAL 106 9.940 -4.642 10.092 813 2HG1 VAL 106 HG11 VAL 106 10.274 -3.742 8.600 814 3HG1 VAL 106 HG12 VAL 106 8.673 -3.650 9.343 815 1HG2 VAL 106 HG23 VAL 106 10.790 -6.726 8.860 816 2HG2 VAL 106 HG21 VAL 106 10.057 -7.182 7.310 817 3HG2 VAL 106 HG22 VAL 106 11.041 -5.716 7.420 818 H ALA 107 H ALA 107 6.690 -4.784 7.690 819 HA ALA 107 HA ALA 107 4.690 -4.161 9.835 820 1HB ALA 107 HB1 ALA 107 5.887 -2.143 9.012 821 2HB ALA 107 HB2 ALA 107 5.331 -2.520 7.364 822 3HB ALA 107 HB3 ALA 107 4.152 -2.150 8.643 823 H GLY 108 H GLY 108 2.404 -4.478 9.196 824 1HA GLY 108 HA2 GLY 108 1.779 -5.050 6.495 825 2HA GLY 108 HA3 GLY 108 1.857 -6.577 7.411 826 H THR 109 H THR 109 -0.523 -5.704 6.251 827 HA THR 109 HA THR 109 -2.100 -4.691 8.553 828 HB THR 109 HB THR 109 -3.573 -3.712 6.920 829 HG1 THR 109 HG1 THR 109 -3.139 -5.540 5.417 830 1HG2 THR 109 HG22 THR 109 -1.494 -2.434 7.403 831 2HG2 THR 109 HG23 THR 109 -0.736 -3.171 5.978 832 3HG2 THR 109 HG21 THR 109 -2.153 -2.122 5.786 833 H GLY 110 H GLY 110 -3.577 -6.044 9.514 834 1HA GLY 110 HA2 GLY 110 -3.893 -8.707 8.463 835 2HA GLY 110 HA3 GLY 110 -4.599 -8.007 9.918 836 H PHE 111 H PHE 111 -4.896 -7.441 6.403 837 HA PHE 111 HA PHE 111 -6.554 -7.355 4.925 838 1HB PHE 111 HB2 PHE 111 -8.015 -9.193 6.839 839 2HB PHE 111 HB3 PHE 111 -8.426 -8.932 5.155 840 HD1 PHE 111 HD1 PHE 111 -6.792 -9.604 3.318 841 HD2 PHE 111 HD2 PHE 111 -6.172 -10.669 7.454 842 HE1 PHE 111 HE1 PHE 111 -4.982 -11.161 2.653 843 HE2 PHE 111 HE2 PHE 111 -4.362 -12.223 6.775 844 HZ PHE 111 HZ PHE 111 -3.765 -12.473 4.383 845 H SER 112 H SER 112 -7.953 -5.757 4.279 846 HA SER 112 HA SER 112 -8.802 -3.960 6.351 847 1HB SER 112 HB2 SER 112 -9.658 -2.591 4.492 848 2HB SER 112 HB3 SER 112 -8.022 -3.176 4.138 849 HG SER 112 HG SER 112 -10.309 -4.621 3.322 850 HA PRO 113 HA PRO 113 -13.055 -5.530 6.719 851 1HB PRO 113 HB2 PRO 113 -14.166 -3.541 8.207 852 2HB PRO 113 HB3 PRO 113 -13.006 -4.713 8.895 853 1HG PRO 113 HG2 PRO 113 -12.428 -1.903 7.922 854 2HG PRO 113 HG3 PRO 113 -11.921 -2.670 9.451 855 1HD PRO 113 HD2 PRO 113 -10.314 -2.529 7.234 856 2HD PRO 113 HD3 PRO 113 -10.238 -3.928 8.357 857 H VAL 114 H VAL 114 -13.086 -5.258 4.415 858 HA VAL 114 HA VAL 114 -13.234 -3.104 2.915 859 HB VAL 114 HB VAL 114 -14.880 -4.464 1.382 860 1HG1 VAL 114 HG12 VAL 114 -12.455 -4.198 1.020 861 2HG1 VAL 114 HG13 VAL 114 -12.137 -5.500 2.185 862 3HG1 VAL 114 HG11 VAL 114 -12.977 -5.848 0.664 863 1HG2 VAL 114 HG23 VAL 114 -15.679 -5.974 3.249 864 2HG2 VAL 114 HG21 VAL 114 -15.016 -6.833 1.851 865 3HG2 VAL 114 HG22 VAL 114 -14.045 -6.683 3.308 866 HA PRO 115 HA PRO 115 -16.689 -0.686 3.994 867 1HB PRO 115 HB2 PRO 115 -16.804 1.060 1.880 868 2HB PRO 115 HB3 PRO 115 -15.434 1.009 3.027 869 1HG PRO 115 HG2 PRO 115 -15.702 -0.347 0.322 870 2HG PRO 115 HG3 PRO 115 -14.375 0.709 0.865 871 1HD PRO 115 HD2 PRO 115 -14.203 -2.003 1.025 872 2HD PRO 115 HD3 PRO 115 -13.546 -0.968 2.333 873 H LYS 116 H LYS 116 -18.614 0.481 2.849 874 HA LYS 116 HA LYS 116 -20.164 -1.281 1.062 875 1HB LYS 116 HB2 LYS 116 -21.292 0.126 3.536 876 2HB LYS 116 HB3 LYS 116 -22.157 -0.884 2.373 877 1HG LYS 116 HG2 LYS 116 -21.843 -2.470 3.970 878 2HG LYS 116 HG3 LYS 116 -20.331 -2.700 3.085 879 1HD LYS 116 HD2 LYS 116 -19.330 -0.969 4.807 880 2HD LYS 116 HD3 LYS 116 -20.811 -1.234 5.723 881 1HE LYS 116 HE2 LYS 116 -18.802 -3.379 4.862 882 2HE LYS 116 HE3 LYS 116 -18.917 -2.669 6.477 883 1HZ LYS 116 HZ2 LYS 116 -21.125 -3.559 6.656 884 2HZ LYS 116 HZ3 LYS 116 -21.024 -4.226 5.150 885 3HZ LYS 116 HZ1 LYS 116 -20.035 -4.759 6.354 886 H ASP 117 H ASP 117 -22.148 0.198 0.396 887 HA ASP 117 HA ASP 117 -21.377 1.950 -1.445 888 1HB ASP 117 HB2 ASP 117 -23.707 1.264 -1.217 889 2HB ASP 117 HB3 ASP 117 -23.874 2.221 0.273 890 HD1 ASP 117 HD ASP 117 -23.357 4.437 -3.037 891 H GLY 118 H GLY 118 -20.278 3.808 -1.569 892 1HA GLY 118 HA2 GLY 118 -19.811 6.032 -1.246 893 2HA GLY 118 HA3 GLY 118 -20.876 6.076 0.162 894 H LYS 119 H LYS 119 -19.269 3.649 1.317 895 HA LYS 119 HA LYS 119 -17.459 5.426 2.786 896 1HB LYS 119 HB2 LYS 119 -18.140 2.499 3.287 897 2HB LYS 119 HB3 LYS 119 -17.326 3.614 4.396 898 1HG LYS 119 HG2 LYS 119 -19.384 5.029 4.445 899 2HG LYS 119 HG3 LYS 119 -20.194 3.862 3.381 900 1HD LYS 119 HD2 LYS 119 -19.866 2.073 5.088 901 2HD LYS 119 HD3 LYS 119 -19.067 3.247 6.148 902 1HE LYS 119 HE2 LYS 119 -21.390 2.967 6.840 903 2HE LYS 119 HE3 LYS 119 -21.150 4.608 6.221 904 1HZ LYS 119 HZ1 LYS 119 -22.323 2.365 4.721 905 2HZ LYS 119 HZ2 LYS 119 -23.157 3.610 5.405 906 3HZ LYS 119 HZ3 LYS 119 -22.129 3.899 4.153 907 H PHE 120 H PHE 120 -15.266 4.769 3.257 908 HA PHE 120 HA PHE 120 -13.946 3.148 1.130 909 1HB PHE 120 HB2 PHE 120 -13.674 6.043 1.826 910 2HB PHE 120 HB3 PHE 120 -12.207 5.218 1.369 911 HD1 PHE 120 HD2 PHE 120 -15.733 5.850 0.138 912 HD2 PHE 120 HD1 PHE 120 -11.706 4.810 -0.944 913 HE1 PHE 120 HE2 PHE 120 -16.421 5.623 -2.215 914 HE2 PHE 120 HE1 PHE 120 -12.391 4.556 -3.288 915 HZ PHE 120 HZ PHE 120 -14.728 5.019 -3.950 916 H GLY 121 H GLY 121 -13.472 1.491 2.560 917 1HA GLY 121 HA2 GLY 121 -12.331 1.488 5.079 918 2HA GLY 121 HA3 GLY 121 -11.995 0.305 3.818 919 H TYR 122 H TYR 122 -10.459 2.323 5.902 920 HA TYR 122 HA TYR 122 -8.054 2.422 4.273 921 1HB TYR 122 HB2 TYR 122 -7.638 4.725 4.409 922 2HB TYR 122 HB3 TYR 122 -9.292 4.616 3.909 923 HD1 TYR 122 HD1 TYR 122 -10.908 4.640 6.200 924 HD2 TYR 122 HD2 TYR 122 -6.971 6.323 5.881 925 HE1 TYR 122 HE1 TYR 122 -11.452 6.265 8.021 926 HE2 TYR 122 HE2 TYR 122 -7.512 7.946 7.648 927 HH TYR 122 HH TYR 122 -9.067 8.648 9.181 928 H THR 123 H THR 123 -6.312 3.562 5.634 929 HA THR 123 HA THR 123 -6.223 2.947 8.458 930 HB THR 123 HB THR 123 -5.172 1.132 6.275 931 HG1 THR 123 HG1 THR 123 -6.190 0.921 8.870 932 1HG2 THR 123 HG23 THR 123 -3.015 1.857 7.167 933 2HG2 THR 123 HG21 THR 123 -3.555 1.405 8.816 934 3HG2 THR 123 HG22 THR 123 -3.401 0.187 7.530 935 H ASP 124 H ASP 124 -3.985 3.542 9.195 936 HA ASP 124 HA ASP 124 -2.302 5.130 7.367 937 1HB ASP 124 HB2 ASP 124 -3.394 6.292 9.967 938 2HB ASP 124 HB3 ASP 124 -2.234 7.059 8.890 939 HD1 ASP 124 HD ASP 124 -3.220 7.352 6.564 940 H PHE 125 H PHE 125 -1.209 2.898 7.908 941 HA PHE 125 HA PHE 125 -0.641 2.570 10.783 942 1HB PHE 125 HB2 PHE 125 0.331 0.520 10.394 943 2HB PHE 125 HB3 PHE 125 -1.176 0.587 9.522 944 HD1 PHE 125 HD2 PHE 125 2.565 0.707 9.212 945 HD2 PHE 125 HD1 PHE 125 -1.151 0.159 7.085 946 HE1 PHE 125 HE2 PHE 125 3.787 -0.256 7.295 947 HE2 PHE 125 HE1 PHE 125 0.077 -0.943 5.242 948 HZ PHE 125 HZ PHE 125 2.539 -1.233 5.383 949 H THR 126 H THR 126 1.285 3.019 11.726 950 HA THR 126 HA THR 126 3.200 4.647 10.159 951 HB THR 126 HB THR 126 2.969 4.332 13.169 952 HG1 THR 126 HG1 THR 126 1.803 6.315 11.487 953 1HG2 THR 126 HG21 THR 126 4.183 6.432 11.329 954 2HG2 THR 126 HG22 THR 126 4.045 6.601 13.095 955 3HG2 THR 126 HG23 THR 126 5.086 5.339 12.404 956 H TRP 127 H TRP 127 5.240 3.938 9.694 957 HA TRP 127 HA TRP 127 6.476 1.838 11.384 958 1HB TRP 127 HB2 TRP 127 5.574 0.704 9.415 959 2HB TRP 127 HB3 TRP 127 6.210 1.954 8.352 960 HD1 TRP 127 HD1 TRP 127 8.182 -0.048 10.986 961 HE1 TRP 127 HE1 TRP 127 10.066 -1.344 9.842 962 HE3 TRP 127 HE3 TRP 127 7.180 1.216 6.182 963 HZ2 TRP 127 HZ2 TRP 127 10.972 -1.829 7.087 964 HZ3 TRP 127 HZ3 TRP 127 8.580 0.409 4.316 965 HH2 TRP 127 HH2 TRP 127 10.396 -1.185 4.731 966 H HIS 128 H HIS 128 8.661 2.035 11.646 967 HA HIS 128 HA HIS 128 10.021 4.417 10.455 968 1HB HIS 128 HB2 HIS 128 10.413 3.055 13.135 969 2HB HIS 128 HB3 HIS 128 11.557 4.186 12.406 970 HD1 HIS 128 HD1 HIS 128 8.266 4.196 14.274 971 HD2 HIS 128 HD2 HIS 128 10.621 6.750 11.879 972 HE1 HIS 128 HE1 HIS 128 7.288 6.558 14.531 973 HE2 HIS 128 HE2 HIS 128 8.707 8.093 13.030 974 HA PRO 129 HA PRO 129 11.746 0.589 8.624 975 1HB PRO 129 HB2 PRO 129 12.746 1.549 6.360 976 2HB PRO 129 HB3 PRO 129 10.980 1.437 6.596 977 1HG PRO 129 HG2 PRO 129 12.685 3.901 7.043 978 2HG PRO 129 HG3 PRO 129 11.227 3.755 6.024 979 1HD PRO 129 HD2 PRO 129 11.127 4.617 8.592 980 2HD PRO 129 HD3 PRO 129 9.825 3.538 7.982 981 H THR 130 H THR 130 14.159 0.159 7.813 982 HA THR 130 HA THR 130 16.115 2.120 8.917 983 HB THR 130 HB THR 130 17.608 0.254 9.491 984 HG1 THR 130 HG1 THR 130 15.423 -1.358 8.659 985 1HG2 THR 130 HG22 THR 130 16.083 1.168 11.222 986 2HG2 THR 130 HG23 THR 130 14.873 -0.064 10.810 987 3HG2 THR 130 HG21 THR 130 16.443 -0.550 11.479 988 H ALA 131 H ALA 131 18.146 2.241 7.710 989 HA ALA 131 HA ALA 131 17.467 2.590 5.059 990 1HB ALA 131 HB3 ALA 131 19.266 3.839 6.165 991 2HB ALA 131 HB1 ALA 131 20.296 2.388 6.130 992 3HB ALA 131 HB2 ALA 131 19.784 3.165 4.611 993 H GLY 132 H GLY 132 17.862 1.608 3.122 994 1HA GLY 132 HA2 GLY 132 19.264 -0.101 1.929 995 2HA GLY 132 HA3 GLY 132 18.614 -1.290 3.095 996 H THR 133 H THR 133 16.899 -2.426 2.127 997 HA THR 133 HA THR 133 14.921 -0.947 0.605 998 HB THR 133 HB THR 133 16.571 -3.136 -0.727 999 HG1 THR 133 HG1 THR 133 16.760 -0.380 -0.656 1000 1HG2 THR 133 HG23 THR 133 14.319 -1.382 -1.812 1001 2HG2 THR 133 HG21 THR 133 15.357 -2.438 -2.787 1002 3HG2 THR 133 HG22 THR 133 14.268 -3.144 -1.587 1003 H TYR 134 H TYR 134 12.983 -1.974 0.469 1004 HA TYR 134 HA TYR 134 12.653 -4.726 1.530 1005 1HB TYR 134 HB2 TYR 134 10.831 -2.401 2.258 1006 2HB TYR 134 HB3 TYR 134 10.742 -4.027 2.868 1007 HD1 TYR 134 HD2 TYR 134 12.768 -0.919 2.857 1008 HD2 TYR 134 HD1 TYR 134 11.920 -4.632 4.878 1009 HE1 TYR 134 HE2 TYR 134 14.135 -0.190 4.760 1010 HE2 TYR 134 HE1 TYR 134 13.222 -3.846 6.846 1011 HH TYR 134 HH TYR 134 15.222 -0.968 6.662 1012 H TYR 135 H TYR 135 10.113 -5.177 1.049 1013 HA TYR 135 HA TYR 135 9.236 -3.890 -1.429 1014 1HB TYR 135 HB2 TYR 135 9.561 -6.893 -1.096 1015 2HB TYR 135 HB3 TYR 135 8.655 -6.102 -2.380 1016 HD1 TYR 135 HD1 TYR 135 12.115 -6.470 -0.967 1017 HD2 TYR 135 HD2 TYR 135 9.718 -5.453 -4.397 1018 HE1 TYR 135 HE1 TYR 135 14.133 -6.527 -2.381 1019 HE2 TYR 135 HE2 TYR 135 11.739 -5.625 -5.834 1020 HH TYR 135 HH TYR 135 14.970 -6.339 -4.530 1021 H TYR 136 H TYR 136 6.980 -4.040 -1.693 1022 HA TYR 136 HA TYR 136 5.464 -4.965 0.703 1023 1HB TYR 136 HB2 TYR 136 3.675 -3.509 0.013 1024 2HB TYR 136 HB3 TYR 136 5.141 -2.629 0.401 1025 HD1 TYR 136 HD1 TYR 136 6.422 -1.445 -1.335 1026 HD2 TYR 136 HD2 TYR 136 2.708 -3.424 -2.243 1027 HE1 TYR 136 HE1 TYR 136 6.069 0.096 -3.232 1028 HE2 TYR 136 HE2 TYR 136 2.394 -1.896 -4.200 1029 HH TYR 136 HH TYR 136 4.696 0.097 -5.476 1030 H VAL 137 H VAL 137 3.767 -6.415 0.357 1031 HA VAL 137 HA VAL 137 2.997 -7.120 -2.386 1032 HB VAL 137 HB VAL 137 3.207 -9.505 -1.985 1033 1HG1 VAL 137 HG13 VAL 137 5.127 -8.379 -3.052 1034 2HG1 VAL 137 HG11 VAL 137 5.912 -8.217 -1.461 1035 3HG1 VAL 137 HG12 VAL 137 5.576 -9.820 -2.131 1036 1HG2 VAL 137 HG22 VAL 137 4.562 -8.803 0.656 1037 2HG2 VAL 137 HG23 VAL 137 3.004 -9.641 0.456 1038 3HG2 VAL 137 HG21 VAL 137 4.496 -10.418 -0.072 1039 H CYS 138 H CYS 138 0.915 -8.258 -2.452 1040 HA CYS 138 HA CYS 138 -0.802 -7.975 -0.028 1041 1HB CYS 138 HB2 CYS 138 -1.683 -7.145 -2.147 1042 2HB CYS 138 HB3 CYS 138 -1.263 -8.677 -2.927 1043 H GLN 139 H GLN 139 -1.109 -9.766 1.298 1044 HA GLN 139 HA GLN 139 0.046 -12.259 0.814 1045 1HB GLN 139 HB2 GLN 139 -1.944 -11.258 2.802 1046 2HB GLN 139 HB3 GLN 139 -1.841 -13.002 2.602 1047 1HG GLN 139 HG2 GLN 139 0.509 -12.974 3.067 1048 2HG GLN 139 HG3 GLN 139 0.518 -11.211 3.261 1049 1HE2 GLN 139 HE21 GLN 139 -0.513 -11.533 6.668 1050 2HE2 GLN 139 HE22 GLN 139 0.100 -10.463 5.432 1051 H ILE 140 H ILE 140 -3.143 -11.334 -0.439 1052 HA ILE 140 HA ILE 140 -4.294 -13.900 -0.366 1053 HB ILE 140 HB ILE 140 -4.661 -11.791 -2.463 1054 1HG1 ILE 140 HG12 ILE 140 -5.167 -10.882 -0.298 1055 2HG1 ILE 140 HG13 ILE 140 -6.637 -11.067 -1.245 1056 1HG2 ILE 140 HG23 ILE 140 -6.425 -14.177 -1.794 1057 2HG2 ILE 140 HG21 ILE 140 -6.915 -12.830 -2.830 1058 3HG2 ILE 140 HG22 ILE 140 -5.576 -13.871 -3.319 1059 1HD1 ILE 140 HD11 ILE 140 -7.224 -13.097 0.067 1060 2HD1 ILE 140 HD12 ILE 140 -5.742 -12.890 1.032 1061 3HD1 ILE 140 HD13 ILE 140 -7.016 -11.667 1.086 1062 HA PRO 141 HA PRO 141 -1.549 -16.300 -2.890 1063 1HB PRO 141 HB2 PRO 141 -4.149 -17.628 -3.721 1064 2HB PRO 141 HB3 PRO 141 -2.579 -18.412 -3.368 1065 1HG PRO 141 HG2 PRO 141 -4.521 -18.333 -1.468 1066 2HG PRO 141 HG3 PRO 141 -2.831 -17.982 -1.018 1067 1HD PRO 141 HD2 PRO 141 -5.088 -16.050 -1.446 1068 2HD PRO 141 HD3 PRO 141 -3.749 -16.011 -0.256 1069 H GLY 142 H GLY 142 -0.740 -16.223 -4.947 1070 1HA GLY 142 HA2 GLY 142 -0.602 -15.766 -7.204 1071 2HA GLY 142 HA3 GLY 142 -2.353 -15.585 -7.270 1072 H HIS 143 H HIS 143 -2.216 -13.380 -5.066 1073 HA HIS 143 HA HIS 143 -2.287 -11.284 -6.978 1074 1HB HIS 143 HB2 HIS 143 -2.221 -11.187 -3.952 1075 2HB HIS 143 HB3 HIS 143 -2.405 -9.795 -4.994 1076 HD2 HIS 143 HD2 HIS 143 -4.296 -12.845 -6.302 1077 HE1 HIS 143 HE1 HIS 143 -7.188 -10.375 -4.430 1078 HE2 HIS 143 HE2 HIS 143 -6.821 -12.410 -5.914 1079 H ALA 144 H ALA 144 0.232 -11.907 -4.459 1080 HA ALA 144 HA ALA 144 1.963 -9.821 -5.274 1081 1HB ALA 144 HB3 ALA 144 2.209 -11.178 -3.189 1082 2HB ALA 144 HB1 ALA 144 2.865 -12.505 -4.175 1083 3HB ALA 144 HB2 ALA 144 3.710 -10.939 -4.114 1084 H ALA 145 H ALA 145 1.703 -13.209 -6.450 1085 HA ALA 145 HA ALA 145 3.950 -13.126 -8.195 1086 1HB ALA 145 HB2 ALA 145 2.871 -15.217 -7.487 1087 2HB ALA 145 HB3 ALA 145 1.418 -14.806 -8.423 1088 3HB ALA 145 HB1 ALA 145 2.961 -15.101 -9.249 1089 H THR 146 H THR 146 0.509 -12.306 -8.763 1090 HA THR 146 HA THR 146 0.966 -11.856 -11.595 1091 HB THR 146 HB THR 146 -1.400 -10.999 -11.537 1092 HG1 THR 146 HG1 THR 146 -1.361 -12.002 -8.888 1093 1HG2 THR 146 HG21 THR 146 -0.856 -13.777 -10.387 1094 2HG2 THR 146 HG22 THR 146 -2.377 -13.238 -11.129 1095 3HG2 THR 146 HG23 THR 146 -0.896 -13.328 -12.102 1096 H GLY 147 H GLY 147 0.608 -9.627 -8.759 1097 1HA GLY 147 HA2 GLY 147 2.070 -7.579 -10.162 1098 2HA GLY 147 HA3 GLY 147 0.346 -7.319 -10.417 1099 H MET 148 H MET 148 0.102 -8.437 -7.371 1100 HA MET 148 HA MET 148 -0.081 -5.678 -6.393 1101 1HB MET 148 HB2 MET 148 -0.625 -8.341 -5.024 1102 2HB MET 148 HB3 MET 148 -0.996 -6.729 -4.383 1103 1HG MET 148 HG2 MET 148 -2.171 -6.471 -6.699 1104 2HG MET 148 HG3 MET 148 -2.317 -8.217 -6.651 1105 1HE MET 148 HE2 MET 148 -3.397 -4.724 -5.556 1106 2HE MET 148 HE3 MET 148 -4.439 -4.979 -4.132 1107 3HE MET 148 HE1 MET 148 -2.688 -5.268 -4.018 1108 H PHE 149 H PHE 149 2.288 -5.242 -6.649 1109 HA PHE 149 HA PHE 149 3.513 -5.521 -4.047 1110 1HB PHE 149 HB2 PHE 149 5.526 -6.745 -4.802 1111 2HB PHE 149 HB3 PHE 149 4.090 -7.665 -5.118 1112 HD1 PHE 149 HD1 PHE 149 6.729 -5.577 -6.783 1113 HD2 PHE 149 HD2 PHE 149 3.372 -8.218 -7.348 1114 HE1 PHE 149 HE1 PHE 149 7.449 -5.997 -9.106 1115 HE2 PHE 149 HE2 PHE 149 4.179 -8.754 -9.627 1116 HZ PHE 149 HZ PHE 149 6.202 -7.614 -10.527 1117 H GLY 150 H GLY 150 6.009 -4.650 -4.285 1118 1HA GLY 150 HA2 GLY 150 6.956 -2.887 -6.303 1119 2HA GLY 150 HA3 GLY 150 5.942 -1.947 -5.221 1120 H LYS 151 H LYS 151 8.616 -1.454 -5.457 1121 HA LYS 151 HA LYS 151 10.023 -2.861 -3.249 1122 1HB LYS 151 HB2 LYS 151 11.440 -0.954 -5.055 1123 2HB LYS 151 HB3 LYS 151 11.987 -2.430 -4.276 1124 1HG LYS 151 HG2 LYS 151 10.487 -3.689 -5.958 1125 2HG LYS 151 HG3 LYS 151 10.266 -2.139 -6.776 1126 1HD LYS 151 HD2 LYS 151 12.722 -1.895 -7.027 1127 2HD LYS 151 HD3 LYS 151 12.959 -3.477 -6.263 1128 1HE LYS 151 HE2 LYS 151 11.595 -4.528 -8.093 1129 2HE LYS 151 HE3 LYS 151 11.427 -2.935 -8.854 1130 1HZ LYS 151 HZ2 LYS 151 13.803 -2.866 -9.080 1131 2HZ LYS 151 HZ3 LYS 151 13.957 -4.345 -8.367 1132 3HZ LYS 151 HZ1 LYS 151 13.190 -4.204 -9.819 1133 H ILE 152 H ILE 152 10.971 -1.628 -1.579 1134 HA ILE 152 HA ILE 152 10.198 1.256 -1.333 1135 HB ILE 152 HB ILE 152 10.502 -0.794 0.889 1136 1HG1 ILE 152 HG12 ILE 152 7.991 0.228 -0.458 1137 2HG1 ILE 152 HG13 ILE 152 8.552 -1.453 -0.247 1138 1HG2 ILE 152 HG23 ILE 152 11.005 1.664 1.371 1139 2HG2 ILE 152 HG21 ILE 152 9.305 1.990 0.982 1140 3HG2 ILE 152 HG22 ILE 152 9.745 0.941 2.359 1141 1HD1 ILE 152 HD13 ILE 152 8.313 -1.162 2.229 1142 2HD1 ILE 152 HD11 ILE 152 7.508 0.397 1.917 1143 3HD1 ILE 152 HD12 ILE 152 6.790 -1.103 1.315 1144 H VAL 153 H VAL 153 12.215 2.150 -1.975 1145 HA VAL 153 HA VAL 153 14.705 0.960 -0.833 1146 HB VAL 153 HB VAL 153 14.436 3.394 -2.598 1147 1HG1 VAL 153 HG13 VAL 153 16.783 1.580 -1.793 1148 2HG1 VAL 153 HG11 VAL 153 16.873 2.852 -3.031 1149 3HG1 VAL 153 HG12 VAL 153 16.546 3.275 -1.346 1150 1HG2 VAL 153 HG21 VAL 153 14.982 0.487 -3.385 1151 2HG2 VAL 153 HG22 VAL 153 13.559 1.448 -3.850 1152 3HG2 VAL 153 HG23 VAL 153 15.157 1.887 -4.463 1153 H VAL 154 H VAL 154 15.427 1.710 1.116 1154 HA VAL 154 HA VAL 154 14.335 4.306 2.165 1155 HB VAL 154 HB VAL 154 15.285 1.819 3.635 1156 1HG1 VAL 154 HG11 VAL 154 15.669 3.984 4.866 1157 2HG1 VAL 154 HG12 VAL 154 13.941 4.352 4.682 1158 3HG1 VAL 154 HG13 VAL 154 14.468 2.952 5.638 1159 1HG2 VAL 154 HG22 VAL 154 12.496 2.977 3.174 1160 2HG2 VAL 154 HG23 VAL 154 13.116 1.437 2.533 1161 3HG2 VAL 154 HG21 VAL 154 12.881 1.643 4.265 1162 H LYS 155 H LYS 155 15.927 5.698 1.382 1163 HA LYS 155 HA LYS 155 18.552 5.480 2.675 1164 1HB LYS 155 HB2 LYS 155 18.419 5.607 -0.367 1165 2HB LYS 155 HB3 LYS 155 19.863 5.769 0.656 1166 1HG LYS 155 HG2 LYS 155 19.571 3.447 1.460 1167 2HG LYS 155 HG3 LYS 155 18.183 3.247 0.374 1168 1HD LYS 155 HD2 LYS 155 19.619 3.746 -1.580 1169 2HD LYS 155 HD3 LYS 155 21.023 3.906 -0.503 1170 1HE LYS 155 HE2 LYS 155 20.724 1.552 0.240 1171 2HE LYS 155 HE3 LYS 155 19.309 1.390 -0.818 1172 1HZ LYS 155 HZ1 LYS 155 20.737 1.808 -2.684 1173 2HZ LYS 155 HZ2 LYS 155 22.052 1.953 -1.702 1174 3HZ LYS 155 HZ3 LYS 155 21.269 0.508 -1.824 No H/Q in entry = 1174 Start of MODEL 10 1 H GLY 1 H GLY 1 3.744 -2.995 11.520 2 1HA GLY 1 HA2 GLY 1 1.653 -1.229 12.033 3 2HA GLY 1 HA3 GLY 1 1.348 -1.942 10.432 4 H THR 2 H THR 2 0.213 -2.346 13.388 5 HA THR 2 HA THR 2 0.647 -5.153 13.938 6 HB THR 2 HB THR 2 -1.327 -4.476 15.565 7 HG1 THR 2 HG1 THR 2 -1.981 -2.556 14.611 8 1HG2 THR 2 HG23 THR 2 1.388 -3.087 15.680 9 2HG2 THR 2 HG21 THR 2 0.268 -3.310 17.038 10 3HG2 THR 2 HG22 THR 2 1.022 -4.722 16.275 11 H LEU 3 H LEU 3 0.114 -5.417 11.495 12 HA LEU 3 HA LEU 3 -1.349 -5.580 9.748 13 1HB LEU 3 HB2 LEU 3 -1.746 -7.904 11.575 14 2HB LEU 3 HB3 LEU 3 -2.317 -7.889 9.894 15 HG LEU 3 HG LEU 3 0.404 -7.026 9.755 16 1HD1 LEU 3 HD13 LEU 3 0.673 -7.840 12.083 17 2HD1 LEU 3 HD11 LEU 3 0.053 -9.432 11.585 18 3HD1 LEU 3 HD12 LEU 3 1.596 -8.828 10.929 19 1HD2 LEU 3 HD22 LEU 3 -0.829 -8.469 8.123 20 2HD2 LEU 3 HD23 LEU 3 0.741 -9.151 8.589 21 3HD2 LEU 3 HD21 LEU 3 -0.757 -9.811 9.277 22 H ASP 4 H ASP 4 -3.669 -7.032 12.030 23 HA ASP 4 HA ASP 4 -5.751 -5.508 10.549 24 1HB ASP 4 HB2 ASP 4 -5.600 -8.091 10.662 25 2HB ASP 4 HB3 ASP 4 -6.318 -7.915 12.271 26 HD2 ASP 4 HD ASP 4 -8.459 -7.402 8.957 27 H THR 5 H THR 5 -5.208 -3.555 11.836 28 HA THR 5 HA THR 5 -6.821 -3.503 14.347 29 HB THR 5 HB THR 5 -4.932 -2.072 15.343 30 HG1 THR 5 HG1 THR 5 -3.415 -3.545 13.461 31 1HG2 THR 5 HG21 THR 5 -5.451 -4.330 16.184 32 2HG2 THR 5 HG22 THR 5 -4.368 -5.048 14.982 33 3HG2 THR 5 HG23 THR 5 -3.715 -3.978 16.234 34 H THR 6 H THR 6 -4.592 -1.071 13.020 35 HA THR 6 HA THR 6 -6.501 0.933 13.500 36 HB THR 6 HB THR 6 -3.948 1.340 11.895 37 HG1 THR 6 HG1 THR 6 -2.929 1.301 13.927 38 1HG2 THR 6 HG22 THR 6 -5.389 2.897 14.105 39 2HG2 THR 6 HG23 THR 6 -3.902 3.408 13.276 40 3HG2 THR 6 HG21 THR 6 -5.429 3.300 12.376 41 H TRP 7 H TRP 7 -8.129 -0.144 12.074 42 HA TRP 7 HA TRP 7 -8.194 0.732 9.241 43 1HB TRP 7 HB2 TRP 7 -10.280 -0.731 10.897 44 2HB TRP 7 HB3 TRP 7 -10.260 -0.536 9.148 45 HD1 TRP 7 HD1 TRP 7 -9.329 -2.895 11.800 46 HE1 TRP 7 HE1 TRP 7 -8.044 -4.857 10.880 47 HE3 TRP 7 HE3 TRP 7 -8.382 -1.072 7.151 48 HZ2 TRP 7 HZ2 TRP 7 -6.528 -5.491 8.424 49 HZ3 TRP 7 HZ3 TRP 7 -6.923 -2.331 5.557 50 HH2 TRP 7 HH2 TRP 7 -6.013 -4.533 6.190 51 H LYS 8 H LYS 8 -10.005 2.026 8.469 52 HA LYS 8 HA LYS 8 -11.958 3.140 10.280 53 1HB LYS 8 HB2 LYS 8 -10.044 5.001 8.769 54 2HB LYS 8 HB3 LYS 8 -11.448 5.519 9.716 55 1HG LYS 8 HG2 LYS 8 -10.282 4.624 11.775 56 2HG LYS 8 HG3 LYS 8 -8.861 4.320 10.752 57 1HD LYS 8 HD2 LYS 8 -8.857 6.749 10.103 58 2HD LYS 8 HD3 LYS 8 -10.191 7.023 11.235 59 1HE LYS 8 HE2 LYS 8 -8.115 7.662 12.300 60 2HE LYS 8 HE3 LYS 8 -8.694 6.185 13.092 61 1HZ LYS 8 HZ2 LYS 8 -6.656 6.298 10.967 62 2HZ LYS 8 HZ3 LYS 8 -6.342 6.145 12.582 63 3HZ LYS 8 HZ1 LYS 8 -7.139 4.947 11.781 64 H GLU 9 H GLU 9 -13.302 4.865 8.632 65 HA GLU 9 HA GLU 9 -12.971 3.933 5.917 66 1HB GLU 9 HB2 GLU 9 -15.829 4.012 6.764 67 2HB GLU 9 HB3 GLU 9 -15.053 3.232 5.379 68 1HG GLU 9 HG2 GLU 9 -14.143 1.477 6.975 69 2HG GLU 9 HG3 GLU 9 -14.893 2.339 8.329 70 HE2 GLU 9 HE GLU 9 -17.172 -0.277 7.619 71 H ALA 10 H ALA 10 -13.807 5.254 4.372 72 HA ALA 10 HA ALA 10 -14.913 7.908 5.117 73 1HB ALA 10 HB1 ALA 10 -12.377 7.955 4.668 74 2HB ALA 10 HB2 ALA 10 -12.751 7.433 3.013 75 3HB ALA 10 HB3 ALA 10 -13.374 8.986 3.665 76 H THR 11 H THR 11 -14.930 8.632 2.208 77 HA THR 11 HA THR 11 -16.546 6.486 0.993 78 HB THR 11 HB THR 11 -18.266 8.042 0.325 79 HG1 THR 11 HG1 THR 11 -18.207 10.182 1.266 80 1HG2 THR 11 HG23 THR 11 -18.550 6.890 2.515 81 2HG2 THR 11 HG21 THR 11 -17.875 8.315 3.334 82 3HG2 THR 11 HG22 THR 11 -19.391 8.447 2.427 83 H LEU 12 H LEU 12 -16.945 7.008 -1.359 84 HA LEU 12 HA LEU 12 -14.755 6.933 -2.790 85 1HB LEU 12 HB2 LEU 12 -17.011 6.618 -3.618 86 2HB LEU 12 HB3 LEU 12 -17.258 8.346 -3.760 87 HG LEU 12 HG LEU 12 -14.842 7.195 -5.149 88 1HD1 LEU 12 HD13 LEU 12 -17.691 6.767 -6.144 89 2HD1 LEU 12 HD11 LEU 12 -16.212 6.463 -7.080 90 3HD1 LEU 12 HD12 LEU 12 -16.553 5.497 -5.638 91 1HD2 LEU 12 HD21 LEU 12 -16.974 9.231 -5.960 92 2HD2 LEU 12 HD22 LEU 12 -15.337 9.612 -5.389 93 3HD2 LEU 12 HD23 LEU 12 -15.565 8.783 -6.932 94 HA PRO 13 HA PRO 13 -14.002 11.488 -3.928 95 1HB PRO 13 HB2 PRO 13 -14.928 13.504 -2.257 96 2HB PRO 13 HB3 PRO 13 -15.793 12.914 -3.706 97 1HG PRO 13 HG2 PRO 13 -16.204 12.046 -0.827 98 2HG PRO 13 HG3 PRO 13 -17.452 12.555 -2.002 99 1HD PRO 13 HD2 PRO 13 -16.988 9.957 -1.601 100 2HD PRO 13 HD3 PRO 13 -17.179 10.556 -3.273 101 H GLN 14 H GLN 14 -14.217 10.423 -0.541 102 HA GLN 14 HA GLN 14 -12.024 12.039 0.377 103 1HB GLN 14 HB2 GLN 14 -13.040 9.457 1.567 104 2HB GLN 14 HB3 GLN 14 -12.116 10.728 2.377 105 1HG GLN 14 HG2 GLN 14 -14.993 10.931 1.384 106 2HG GLN 14 HG3 GLN 14 -14.434 10.989 3.056 107 1HE2 GLN 14 HE21 GLN 14 -13.084 14.367 2.673 108 2HE2 GLN 14 HE22 GLN 14 -12.602 12.824 3.358 109 H VAL 15 H VAL 15 -12.273 9.050 -1.459 110 HA VAL 15 HA VAL 15 -9.683 7.977 -0.799 111 HB VAL 15 HB VAL 15 -11.227 7.833 -3.431 112 1HG1 VAL 15 HG13 VAL 15 -8.893 6.218 -2.351 113 2HG1 VAL 15 HG11 VAL 15 -9.906 5.723 -3.727 114 3HG1 VAL 15 HG12 VAL 15 -8.954 7.206 -3.824 115 1HG2 VAL 15 HG23 VAL 15 -11.222 5.990 -1.001 116 2HG2 VAL 15 HG21 VAL 15 -12.591 6.950 -1.569 117 3HG2 VAL 15 HG22 VAL 15 -11.983 5.635 -2.572 118 H LYS 16 H LYS 16 -10.852 10.268 -3.275 119 HA LYS 16 HA LYS 16 -8.288 10.851 -4.428 120 1HB LYS 16 HB2 LYS 16 -10.804 12.575 -4.362 121 2HB LYS 16 HB3 LYS 16 -9.401 12.773 -5.422 122 1HG LYS 16 HG2 LYS 16 -9.813 10.497 -6.367 123 2HG LYS 16 HG3 LYS 16 -11.270 10.357 -5.362 124 1HD LYS 16 HD2 LYS 16 -12.253 12.339 -6.481 125 2HD LYS 16 HD3 LYS 16 -10.777 12.539 -7.438 126 1HE LYS 16 HE2 LYS 16 -12.485 11.434 -8.787 127 2HE LYS 16 HE3 LYS 16 -11.134 10.327 -8.501 128 1HZ LYS 16 HZ2 LYS 16 -13.678 10.341 -7.026 129 2HZ LYS 16 HZ3 LYS 16 -13.255 9.275 -8.208 130 3HZ LYS 16 HZ1 LYS 16 -12.432 9.290 -6.783 131 H ALA 17 H ALA 17 -10.289 12.495 -1.935 132 HA ALA 17 HA ALA 17 -8.580 14.596 -1.308 133 1HB ALA 17 HB2 ALA 17 -10.867 14.179 -0.314 134 2HB ALA 17 HB3 ALA 17 -10.108 13.012 0.796 135 3HB ALA 17 HB1 ALA 17 -9.631 14.709 0.846 136 H MET 18 H MET 18 -8.518 11.325 0.229 137 HA MET 18 HA MET 18 -6.233 11.782 1.836 138 1HB MET 18 HB2 MET 18 -7.518 9.270 0.770 139 2HB MET 18 HB3 MET 18 -6.059 9.232 1.772 140 1HG MET 18 HG2 MET 18 -7.154 10.508 3.547 141 2HG MET 18 HG3 MET 18 -8.655 10.575 2.619 142 1HE MET 18 HE3 MET 18 -10.263 8.621 2.294 143 2HE MET 18 HE1 MET 18 -8.980 7.716 1.463 144 3HE MET 18 HE2 MET 18 -9.929 6.931 2.749 145 H LEU 19 H LEU 19 -6.469 10.237 -1.435 146 HA LEU 19 HA LEU 19 -3.730 9.695 -1.761 147 1HB LEU 19 HB2 LEU 19 -5.832 10.485 -3.790 148 2HB LEU 19 HB3 LEU 19 -4.215 9.949 -4.249 149 HG LEU 19 HG LEU 19 -6.007 8.223 -2.492 150 1HD1 LEU 19 HD11 LEU 19 -5.796 8.242 -5.537 151 2HD1 LEU 19 HD12 LEU 19 -6.643 7.021 -4.565 152 3HD1 LEU 19 HD13 LEU 19 -7.224 8.697 -4.589 153 1HD2 LEU 19 HD23 LEU 19 -3.530 7.658 -2.663 154 2HD2 LEU 19 HD21 LEU 19 -4.628 6.397 -3.240 155 3HD2 LEU 19 HD22 LEU 19 -3.784 7.431 -4.397 156 H GLU 20 H GLU 20 -5.434 12.775 -2.451 157 HA GLU 20 HA GLU 20 -3.155 14.126 -3.471 158 1HB GLU 20 HB2 GLU 20 -5.628 15.152 -2.037 159 2HB GLU 20 HB3 GLU 20 -4.417 16.213 -2.769 160 1HG GLU 20 HG2 GLU 20 -5.934 14.063 -4.330 161 2HG GLU 20 HG3 GLU 20 -6.410 15.763 -4.242 162 HE1 GLU 20 HE GLU 20 -3.578 16.798 -6.127 163 H LYS 21 H LYS 21 -3.816 13.279 -0.091 164 HA LYS 21 HA LYS 21 -1.902 15.304 0.897 165 1HB LYS 21 HB2 LYS 21 -3.593 13.171 2.217 166 2HB LYS 21 HB3 LYS 21 -2.180 13.810 3.027 167 1HG LYS 21 HG2 LYS 21 -3.862 15.035 3.894 168 2HG LYS 21 HG3 LYS 21 -3.058 16.148 2.794 169 1HD LYS 21 HD2 LYS 21 -5.462 14.556 1.866 170 2HD LYS 21 HD3 LYS 21 -5.721 15.913 2.963 171 1HE LYS 21 HE2 LYS 21 -4.756 17.507 1.442 172 2HE LYS 21 HE3 LYS 21 -4.219 16.236 0.337 173 1HZ LYS 21 HZ3 LYS 21 -6.498 15.644 -0.006 174 2HZ LYS 21 HZ1 LYS 21 -7.007 16.876 0.969 175 3HZ LYS 21 HZ2 LYS 21 -6.214 17.216 -0.438 176 H ASP 22 H ASP 22 -1.413 12.457 -0.850 177 HA ASP 22 HA ASP 22 0.716 11.309 0.675 178 1HB ASP 22 HB2 ASP 22 1.289 10.089 -1.190 179 2HB ASP 22 HB3 ASP 22 -0.422 10.368 -1.499 180 HD2 ASP 22 HD ASP 22 -0.884 11.937 -3.122 181 H THR 23 H THR 23 3.046 11.597 0.471 182 HA THR 23 HA THR 23 3.885 14.278 -0.589 183 HB THR 23 HB THR 23 5.626 14.093 1.254 184 HG1 THR 23 HG1 THR 23 5.099 12.722 2.943 185 1HG2 THR 23 HG21 THR 23 3.622 15.544 1.417 186 2HG2 THR 23 HG22 THR 23 2.695 14.190 2.096 187 3HG2 THR 23 HG23 THR 23 4.073 14.860 2.990 188 H GLY 24 H GLY 24 3.833 11.782 -2.191 189 1HA GLY 24 HA2 GLY 24 6.725 11.043 -2.496 190 2HA GLY 24 HA3 GLY 24 5.308 10.263 -3.185 191 H LYS 25 H LYS 25 7.874 12.280 -3.849 192 HA LYS 25 HA LYS 25 6.645 13.889 -5.973 193 1HB LYS 25 HB2 LYS 25 9.607 13.411 -5.608 194 2HB LYS 25 HB3 LYS 25 8.783 14.825 -6.266 195 1HG LYS 25 HG2 LYS 25 9.042 13.964 -3.361 196 2HG LYS 25 HG3 LYS 25 9.761 15.368 -4.133 197 1HD LYS 25 HD2 LYS 25 7.505 16.361 -4.476 198 2HD LYS 25 HD3 LYS 25 6.760 14.974 -3.668 199 1HE LYS 25 HE2 LYS 25 8.715 16.942 -2.406 200 2HE LYS 25 HE3 LYS 25 6.972 16.836 -2.109 201 1HZ LYS 25 HZ2 LYS 25 7.356 14.594 -1.254 202 2HZ LYS 25 HZ3 LYS 25 8.978 14.799 -1.442 203 3HZ LYS 25 HZ1 LYS 25 8.151 15.753 -0.390 204 H VAL 26 H VAL 26 7.287 13.526 -8.254 205 HA VAL 26 HA VAL 26 7.109 10.686 -8.882 206 HB VAL 26 HB VAL 26 7.277 13.068 -10.775 207 1HG1 VAL 26 HG11 VAL 26 6.184 10.234 -11.101 208 2HG1 VAL 26 HG12 VAL 26 6.006 11.540 -12.290 209 3HG1 VAL 26 HG13 VAL 26 7.611 10.916 -11.910 210 1HG2 VAL 26 HG21 VAL 26 4.899 11.825 -9.344 211 2HG2 VAL 26 HG22 VAL 26 5.412 13.520 -9.304 212 3HG2 VAL 26 HG23 VAL 26 4.740 12.847 -10.790 213 H SER 27 H SER 27 8.686 9.394 -9.952 214 HA SER 27 HA SER 27 11.149 10.668 -10.947 215 1HB SER 27 HB2 SER 27 11.231 8.416 -8.901 216 2HB SER 27 HB3 SER 27 12.601 9.239 -9.657 217 HG SER 27 HG SER 27 11.246 11.183 -8.656 218 H GLY 28 H GLY 28 9.538 9.992 -12.737 219 1HA GLY 28 HA2 GLY 28 9.228 8.693 -14.598 220 2HA GLY 28 HA3 GLY 28 10.658 7.754 -14.133 221 H ASP 29 H ASP 29 10.279 5.661 -13.509 222 HA ASP 29 HA ASP 29 7.525 4.672 -13.181 223 1HB ASP 29 HB2 ASP 29 8.447 2.513 -13.198 224 2HB ASP 29 HB3 ASP 29 9.329 3.394 -14.454 225 HD2 ASP 29 HD ASP 29 11.459 1.432 -11.998 226 H THR 30 H THR 30 10.020 5.960 -11.208 227 HA THR 30 HA THR 30 9.195 4.484 -8.773 228 HB THR 30 HB THR 30 11.710 6.017 -9.576 229 HG1 THR 30 HG1 THR 30 11.554 4.050 -10.535 230 1HG2 THR 30 HG22 THR 30 11.237 4.589 -6.971 231 2HG2 THR 30 HG23 THR 30 12.772 5.191 -7.607 232 3HG2 THR 30 HG21 THR 30 11.485 6.336 -7.195 233 H VAL 31 H VAL 31 9.057 5.852 -6.829 234 HA VAL 31 HA VAL 31 8.357 8.697 -7.262 235 HB VAL 31 HB VAL 31 6.694 6.478 -6.095 236 1HG1 VAL 31 HG12 VAL 31 6.601 9.335 -5.018 237 2HG1 VAL 31 HG13 VAL 31 5.375 8.090 -4.729 238 3HG1 VAL 31 HG11 VAL 31 7.011 7.882 -4.076 239 1HG2 VAL 31 HG21 VAL 31 6.240 7.616 -8.280 240 2HG2 VAL 31 HG22 VAL 31 4.893 7.699 -7.126 241 3HG2 VAL 31 HG23 VAL 31 5.928 9.116 -7.394 242 H THR 32 H THR 32 8.981 9.995 -5.379 243 HA THR 32 HA THR 32 10.988 8.653 -3.639 244 HB THR 32 HB THR 32 11.427 11.076 -5.435 245 HG1 THR 32 HG1 THR 32 11.961 9.549 -6.723 246 1HG2 THR 32 HG23 THR 32 13.245 9.801 -3.343 247 2HG2 THR 32 HG21 THR 32 13.782 10.944 -4.592 248 3HG2 THR 32 HG22 THR 32 12.616 11.459 -3.365 249 H TYR 33 H TYR 33 10.914 9.386 -1.603 250 HA TYR 33 HA TYR 33 9.050 11.650 -1.009 251 1HB TYR 33 HB2 TYR 33 10.013 9.223 0.531 252 2HB TYR 33 HB3 TYR 33 9.301 10.629 1.313 253 HD1 TYR 33 HD2 TYR 33 8.566 7.962 -1.222 254 HD2 TYR 33 HD1 TYR 33 7.007 11.146 1.233 255 HE1 TYR 33 HE2 TYR 33 6.235 7.297 -1.803 256 HE2 TYR 33 HE1 TYR 33 4.720 10.366 0.790 257 HH TYR 33 HH TYR 33 3.417 8.890 -0.302 258 H SER 34 H SER 34 9.689 12.925 0.991 259 HA SER 34 HA SER 34 12.505 13.187 1.589 260 1HB SER 34 HB2 SER 34 11.029 15.533 0.294 261 2HB SER 34 HB3 SER 34 12.689 15.537 0.916 262 HG SER 34 HG SER 34 12.625 13.545 -0.762 263 H GLY 35 H GLY 35 12.739 14.524 3.519 264 1HA GLY 35 HA2 GLY 35 12.031 15.456 5.510 265 2HA GLY 35 HA3 GLY 35 10.384 15.610 4.876 266 H LYS 36 H LYS 36 10.455 14.803 7.417 267 HA LYS 36 HA LYS 36 10.776 11.934 7.683 268 1HB LYS 36 HB2 LYS 36 9.623 13.955 9.611 269 2HB LYS 36 HB3 LYS 36 9.914 12.247 9.950 270 1HG LYS 36 HG2 LYS 36 12.331 12.550 9.430 271 2HG LYS 36 HG3 LYS 36 12.049 14.285 9.186 272 1HD LYS 36 HD2 LYS 36 11.267 14.503 11.530 273 2HD LYS 36 HD3 LYS 36 11.418 12.754 11.757 274 1HE LYS 36 HE2 LYS 36 13.324 13.886 12.764 275 2HE LYS 36 HE3 LYS 36 13.860 12.881 11.409 276 1HZ LYS 36 HZ3 LYS 36 13.415 15.785 11.313 277 2HZ LYS 36 HZ1 LYS 36 14.880 15.040 11.418 278 3HZ LYS 36 HZ2 LYS 36 13.958 14.851 10.067 279 H THR 37 H THR 37 8.019 14.116 7.063 280 HA THR 37 HA THR 37 6.034 12.150 7.750 281 HB THR 37 HB THR 37 5.665 14.665 6.078 282 HG1 THR 37 HG1 THR 37 5.897 14.410 8.890 283 1HG2 THR 37 HG21 THR 37 3.906 13.226 8.130 284 2HG2 THR 37 HG23 THR 37 3.498 14.730 7.275 285 3HG2 THR 37 HG22 THR 37 3.669 13.212 6.370 286 H VAL 38 H VAL 38 6.953 10.376 6.443 287 HA VAL 38 HA VAL 38 6.732 10.563 3.495 288 HB VAL 38 HB VAL 38 7.746 8.442 5.400 289 1HG1 VAL 38 HG11 VAL 38 7.476 8.405 2.371 290 2HG1 VAL 38 HG12 VAL 38 8.618 7.387 3.244 291 3HG1 VAL 38 HG13 VAL 38 6.876 7.201 3.513 292 1HG2 VAL 38 HG22 VAL 38 9.135 10.463 5.135 293 2HG2 VAL 38 HG23 VAL 38 9.898 9.020 4.445 294 3HG2 VAL 38 HG21 VAL 38 9.138 10.230 3.396 295 H HIS 39 H HIS 39 4.525 10.914 3.160 296 HA HIS 39 HA HIS 39 2.644 9.046 4.422 297 1HB HIS 39 HB2 HIS 39 2.269 11.477 4.509 298 2HB HIS 39 HB3 HIS 39 2.071 11.501 2.756 299 HD1 HIS 39 HD1 HIS 39 -0.470 12.308 3.071 300 HD2 HIS 39 HD2 HIS 39 0.499 8.602 4.846 301 HE1 HIS 39 HE1 HIS 39 -2.691 11.213 3.799 302 HE2 HIS 39 HE2 HIS 39 -2.053 8.948 4.868 303 H VAL 40 H VAL 40 2.603 7.138 3.385 304 HA VAL 40 HA VAL 40 2.541 6.979 0.411 305 HB VAL 40 HB VAL 40 2.870 4.837 2.533 306 1HG1 VAL 40 HG12 VAL 40 3.064 4.727 -0.512 307 2HG1 VAL 40 HG13 VAL 40 3.542 3.418 0.590 308 3HG1 VAL 40 HG11 VAL 40 1.848 3.909 0.493 309 1HG2 VAL 40 HG23 VAL 40 4.898 6.137 0.667 310 2HG2 VAL 40 HG21 VAL 40 4.831 6.331 2.432 311 3HG2 VAL 40 HG22 VAL 40 5.211 4.752 1.732 312 H VAL 41 H VAL 41 0.454 7.526 -0.187 313 HA VAL 41 HA VAL 41 -1.770 6.196 1.216 314 HB VAL 41 HB VAL 41 -2.005 8.237 -0.989 315 1HG1 VAL 41 HG12 VAL 41 -3.857 7.229 1.245 316 2HG1 VAL 41 HG13 VAL 41 -4.269 8.492 0.090 317 3HG1 VAL 41 HG11 VAL 41 -4.020 6.835 -0.475 318 1HG2 VAL 41 HG22 VAL 41 -1.879 8.646 2.021 319 2HG2 VAL 41 HG23 VAL 41 -0.724 9.285 0.836 320 3HG2 VAL 41 HG21 VAL 41 -2.383 9.877 0.853 321 H ALA 42 H ALA 42 -2.611 4.302 0.364 322 HA ALA 42 HA ALA 42 -2.028 3.647 -2.514 323 1HB ALA 42 HB2 ALA 42 -1.530 1.900 -0.089 324 2HB ALA 42 HB3 ALA 42 -1.426 1.367 -1.783 325 3HB ALA 42 HB1 ALA 42 -0.315 2.608 -1.164 326 H ALA 43 H ALA 43 -3.859 3.287 -3.579 327 HA ALA 43 HA ALA 43 -6.246 2.269 -2.170 328 1HB ALA 43 HB2 ALA 43 -5.889 3.363 -4.979 329 2HB ALA 43 HB3 ALA 43 -7.415 2.820 -4.247 330 3HB ALA 43 HB1 ALA 43 -6.565 4.234 -3.585 331 H ALA 44 H ALA 44 -6.492 0.084 -2.098 332 HA ALA 44 HA ALA 44 -4.896 -1.582 -3.971 333 1HB ALA 44 HB3 ALA 44 -4.886 -2.087 -1.553 334 2HB ALA 44 HB1 ALA 44 -6.613 -2.473 -1.647 335 3HB ALA 44 HB2 ALA 44 -5.440 -3.425 -2.572 336 H VAL 45 H VAL 45 -5.927 -1.296 -5.931 337 HA VAL 45 HA VAL 45 -7.299 -1.810 -7.614 338 HB VAL 45 HB VAL 45 -8.522 -3.911 -5.794 339 1HG1 VAL 45 HG12 VAL 45 -9.601 -3.441 -8.052 340 2HG1 VAL 45 HG13 VAL 45 -8.076 -3.948 -8.802 341 3HG1 VAL 45 HG11 VAL 45 -9.012 -5.085 -7.807 342 1HG2 VAL 45 HG22 VAL 45 -6.025 -4.072 -7.513 343 2HG2 VAL 45 HG23 VAL 45 -6.087 -4.086 -5.740 344 3HG2 VAL 45 HG21 VAL 45 -6.795 -5.426 -6.652 345 H LEU 46 H LEU 46 -8.504 0.047 -7.923 346 HA LEU 46 HA LEU 46 -10.584 0.775 -6.094 347 1HB LEU 46 HB2 LEU 46 -9.917 1.706 -8.902 348 2HB LEU 46 HB3 LEU 46 -11.155 2.470 -7.907 349 HG LEU 46 HG LEU 46 -8.247 2.238 -7.014 350 1HD1 LEU 46 HD11 LEU 46 -8.400 3.524 -9.126 351 2HD1 LEU 46 HD12 LEU 46 -9.643 4.563 -8.402 352 3HD1 LEU 46 HD13 LEU 46 -7.986 4.563 -7.753 353 1HD2 LEU 46 HD22 LEU 46 -10.600 3.962 -6.093 354 2HD2 LEU 46 HD23 LEU 46 -9.815 2.670 -5.158 355 3HD2 LEU 46 HD21 LEU 46 -8.929 4.153 -5.538 356 HA PRO 47 HA PRO 47 -13.958 -1.785 -7.482 357 1HB PRO 47 HB2 PRO 47 -15.497 0.827 -7.326 358 2HB PRO 47 HB3 PRO 47 -16.025 -0.806 -6.817 359 1HG PRO 47 HG2 PRO 47 -15.056 0.895 -4.949 360 2HG PRO 47 HG3 PRO 47 -14.443 -0.783 -4.980 361 1HD PRO 47 HD2 PRO 47 -13.083 1.673 -6.071 362 2HD PRO 47 HD3 PRO 47 -12.436 0.301 -5.114 363 H GLY 48 H GLY 48 -14.027 -2.462 -9.547 364 1HA GLY 48 HA2 GLY 48 -15.055 -1.958 -11.806 365 2HA GLY 48 HA3 GLY 48 -14.062 -0.492 -11.808 366 H PHE 49 H PHE 49 -11.755 -1.584 -10.470 367 HA PHE 49 HA PHE 49 -10.410 -2.859 -12.725 368 1HB PHE 49 HB2 PHE 49 -9.561 -2.143 -9.902 369 2HB PHE 49 HB3 PHE 49 -8.534 -3.004 -11.035 370 HD1 PHE 49 HD2 PHE 49 -10.651 0.166 -11.034 371 HD2 PHE 49 HD1 PHE 49 -6.884 -1.714 -12.029 372 HE1 PHE 49 HE2 PHE 49 -9.768 2.330 -11.806 373 HE2 PHE 49 HE1 PHE 49 -6.014 0.468 -12.790 374 HZ PHE 49 HZ PHE 49 -7.447 2.498 -12.682 375 HA PRO 50 HA PRO 50 -11.592 -6.886 -10.810 376 1HB PRO 50 HB2 PRO 50 -11.211 -8.541 -12.898 377 2HB PRO 50 HB3 PRO 50 -12.510 -7.317 -12.940 378 1HG PRO 50 HG2 PRO 50 -9.744 -7.091 -14.167 379 2HG PRO 50 HG3 PRO 50 -11.316 -6.785 -14.955 380 1HD PRO 50 HD2 PRO 50 -9.763 -4.803 -13.819 381 2HD PRO 50 HD3 PRO 50 -11.547 -4.718 -13.893 382 H PHE 51 H PHE 51 -9.478 -5.942 -9.703 383 HA PHE 51 HA PHE 51 -7.398 -6.368 -8.784 384 1HB PHE 51 HB2 PHE 51 -7.294 -8.949 -10.388 385 2HB PHE 51 HB3 PHE 51 -6.357 -8.572 -8.979 386 HD1 PHE 51 HD1 PHE 51 -9.008 -7.388 -7.458 387 HD2 PHE 51 HD2 PHE 51 -7.803 -11.090 -9.333 388 HE1 PHE 51 HE1 PHE 51 -10.443 -8.640 -5.921 389 HE2 PHE 51 HE2 PHE 51 -9.274 -12.337 -7.782 390 HZ PHE 51 HZ PHE 51 -10.594 -11.113 -6.068 391 HA PRO 52 HA PRO 52 -5.136 -6.963 -8.473 392 1HB PRO 52 HB2 PRO 52 -2.821 -8.112 -9.162 393 2HB PRO 52 HB3 PRO 52 -4.267 -8.766 -9.968 394 1HG PRO 52 HG2 PRO 52 -2.300 -6.733 -11.069 395 2HG PRO 52 HG3 PRO 52 -2.981 -8.169 -11.880 396 1HD PRO 52 HD2 PRO 52 -3.987 -5.487 -11.981 397 2HD PRO 52 HD3 PRO 52 -4.836 -6.958 -12.518 398 H SER 53 H SER 53 -4.860 -4.119 -9.677 399 HA SER 53 HA SER 53 -2.087 -3.463 -9.162 400 1HB SER 53 HB2 SER 53 -2.978 -1.214 -10.013 401 2HB SER 53 HB3 SER 53 -3.209 -2.592 -11.109 402 HG SER 53 HG SER 53 -5.149 -1.765 -9.208 403 H PHE 54 H PHE 54 -1.237 -2.681 -7.274 404 HA PHE 54 HA PHE 54 -2.923 -1.334 -5.247 405 1HB PHE 54 HB2 PHE 54 0.102 -1.643 -5.608 406 2HB PHE 54 HB3 PHE 54 -0.627 -0.680 -4.348 407 HD1 PHE 54 HD2 PHE 54 -2.761 -2.168 -3.167 408 HD2 PHE 54 HD1 PHE 54 1.146 -3.483 -4.469 409 HE1 PHE 54 HE2 PHE 54 -2.732 -3.888 -1.385 410 HE2 PHE 54 HE1 PHE 54 1.232 -5.048 -2.562 411 HZ PHE 54 HZ PHE 54 -0.696 -5.209 -0.990 412 H GLU 55 H GLU 55 -3.739 0.628 -6.029 413 HA GLU 55 HA GLU 55 -2.137 2.105 -8.008 414 1HB GLU 55 HB2 GLU 55 -4.820 3.089 -7.184 415 2HB GLU 55 HB3 GLU 55 -3.938 3.037 -8.740 416 1HG GLU 55 HG2 GLU 55 -4.283 0.525 -8.770 417 2HG GLU 55 HG3 GLU 55 -5.373 0.715 -7.385 418 HE2 GLU 55 HE GLU 55 -7.702 0.727 -9.927 419 H VAL 56 H VAL 56 -0.702 3.633 -7.276 420 HA VAL 56 HA VAL 56 -0.941 4.602 -4.457 421 HB VAL 56 HB VAL 56 1.511 3.863 -6.071 422 1HG1 VAL 56 HG13 VAL 56 1.250 4.881 -3.213 423 2HG1 VAL 56 HG11 VAL 56 2.730 4.190 -3.913 424 3HG1 VAL 56 HG12 VAL 56 2.082 5.689 -4.572 425 1HG2 VAL 56 HG22 VAL 56 0.162 2.540 -3.673 426 2HG2 VAL 56 HG23 VAL 56 0.344 1.853 -5.295 427 3HG2 VAL 56 HG21 VAL 56 1.766 2.096 -4.284 428 H HIS 57 H HIS 57 -2.170 6.329 -5.229 429 HA HIS 57 HA HIS 57 -2.582 8.420 -6.015 430 1HB HIS 57 HB2 HIS 57 -0.676 10.084 -5.383 431 2HB HIS 57 HB3 HIS 57 -1.590 9.229 -4.156 432 HD1 HIS 57 HD1 HIS 57 -0.334 7.226 -2.824 433 HD2 HIS 57 HD2 HIS 57 1.969 9.764 -5.294 434 HE1 HIS 57 HE1 HIS 57 2.083 7.068 -1.995 435 HE2 HIS 57 HE2 HIS 57 3.473 8.600 -3.500 436 H ASP 58 H ASP 58 0.759 9.007 -6.866 437 HA ASP 58 HA ASP 58 -0.124 10.032 -9.438 438 1HB ASP 58 HB2 ASP 58 1.716 11.107 -8.235 439 2HB ASP 58 HB3 ASP 58 2.665 9.604 -8.288 440 HD1 ASP 58 HD ASP 58 2.174 11.714 -11.688 441 H LYS 59 H LYS 59 0.989 6.920 -8.296 442 HA LYS 59 HA LYS 59 1.388 5.935 -11.098 443 1HB LYS 59 HB2 LYS 59 2.979 5.330 -8.586 444 2HB LYS 59 HB3 LYS 59 3.279 4.600 -10.158 445 1HG LYS 59 HG2 LYS 59 3.630 7.552 -9.439 446 2HG LYS 59 HG3 LYS 59 4.910 6.351 -9.544 447 1HD LYS 59 HD2 LYS 59 3.175 7.215 -11.900 448 2HD LYS 59 HD3 LYS 59 4.795 7.810 -11.525 449 1HE LYS 59 HE2 LYS 59 5.670 5.466 -11.613 450 2HE LYS 59 HE3 LYS 59 4.079 4.916 -12.183 451 1HZ LYS 59 HZ1 LYS 59 4.317 6.477 -14.026 452 2HZ LYS 59 HZ2 LYS 59 5.863 6.798 -13.526 453 3HZ LYS 59 HZ3 LYS 59 5.457 5.283 -14.025 454 H LYS 60 H LYS 60 1.675 3.407 -10.830 455 HA LYS 60 HA LYS 60 -0.179 2.282 -8.818 456 1HB LYS 60 HB2 LYS 60 -0.135 1.473 -11.753 457 2HB LYS 60 HB3 LYS 60 -1.159 0.806 -10.457 458 1HG LYS 60 HG2 LYS 60 -2.038 3.234 -10.186 459 2HG LYS 60 HG3 LYS 60 -1.320 3.545 -11.761 460 1HD LYS 60 HD2 LYS 60 -3.480 1.457 -11.136 461 2HD LYS 60 HD3 LYS 60 -3.721 3.034 -11.875 462 1HE LYS 60 HE2 LYS 60 -3.746 1.603 -13.710 463 2HE LYS 60 HE3 LYS 60 -2.107 2.263 -13.747 464 1HZ LYS 60 HZ3 LYS 60 -2.918 -0.346 -12.649 465 2HZ LYS 60 HZ1 LYS 60 -2.166 -0.098 -14.092 466 3HZ LYS 60 HZ2 LYS 60 -1.373 0.224 -12.687 467 H ASN 61 H ASN 61 0.851 0.825 -7.702 468 HA ASN 61 HA ASN 61 2.504 -0.516 -6.938 469 1HB ASN 61 HB2 ASN 61 2.587 -1.514 -9.809 470 2HB ASN 61 HB3 ASN 61 2.966 -2.413 -8.367 471 1HD2 ASN 61 HD22 ASN 61 -0.987 -1.825 -9.347 472 2HD2 ASN 61 HD21 ASN 61 0.192 -0.773 -10.075 473 HA PRO 62 HA PRO 62 5.977 1.850 -9.173 474 1HB PRO 62 HB2 PRO 62 6.377 4.087 -7.686 475 2HB PRO 62 HB3 PRO 62 5.037 3.983 -8.851 476 1HG PRO 62 HG2 PRO 62 4.923 3.333 -5.869 477 2HG PRO 62 HG3 PRO 62 3.923 4.539 -6.713 478 1HD PRO 62 HD2 PRO 62 3.018 2.011 -6.330 479 2HD PRO 62 HD3 PRO 62 2.779 2.849 -7.894 480 H THR 63 H THR 63 8.091 2.509 -8.272 481 HA THR 63 HA THR 63 8.905 0.905 -5.899 482 HB THR 63 HB THR 63 10.400 2.226 -8.207 483 HG1 THR 63 HG1 THR 63 9.299 0.205 -8.501 484 1HG2 THR 63 HG21 THR 63 11.399 0.997 -5.639 485 2HG2 THR 63 HG22 THR 63 12.359 0.921 -7.141 486 3HG2 THR 63 HG23 THR 63 11.921 2.500 -6.455 487 H LEU 64 H LEU 64 9.591 2.032 -4.026 488 HA LEU 64 HA LEU 64 9.156 5.000 -4.027 489 1HB LEU 64 HB2 LEU 64 8.653 2.816 -2.013 490 2HB LEU 64 HB3 LEU 64 8.997 4.464 -1.489 491 HG LEU 64 HG LEU 64 7.140 5.361 -2.790 492 1HD1 LEU 64 HD13 LEU 64 6.618 2.449 -3.494 493 2HD1 LEU 64 HD11 LEU 64 5.381 3.720 -3.599 494 3HD1 LEU 64 HD12 LEU 64 6.837 3.824 -4.598 495 1HD2 LEU 64 HD22 LEU 64 6.857 4.720 -0.423 496 2HD2 LEU 64 HD23 LEU 64 5.360 4.472 -1.337 497 3HD2 LEU 64 HD21 LEU 64 6.379 3.080 -0.914 498 H GLU 65 H GLU 65 10.934 6.249 -3.697 499 HA GLU 65 HA GLU 65 13.355 5.069 -2.372 500 1HB GLU 65 HB2 GLU 65 13.013 7.619 -3.977 501 2HB GLU 65 HB3 GLU 65 14.506 7.097 -3.177 502 1HG GLU 65 HG2 GLU 65 14.424 4.968 -4.519 503 2HG GLU 65 HG3 GLU 65 13.020 5.600 -5.376 504 HE1 GLU 65 HE GLU 65 13.632 8.094 -6.021 505 H ILE 66 H ILE 66 13.479 5.391 -0.243 506 HA ILE 66 HA ILE 66 11.957 7.635 0.989 507 HB ILE 66 HB ILE 66 12.396 4.731 1.649 508 1HG1 ILE 66 HG12 ILE 66 9.972 6.490 1.083 509 2HG1 ILE 66 HG13 ILE 66 10.593 5.120 0.151 510 1HG2 ILE 66 HG22 ILE 66 12.691 5.978 3.809 511 2HG2 ILE 66 HG23 ILE 66 11.119 6.768 3.541 512 3HG2 ILE 66 HG21 ILE 66 11.230 5.018 3.776 513 1HD1 ILE 66 HD13 ILE 66 10.053 3.682 2.218 514 2HD1 ILE 66 HD11 ILE 66 9.121 5.072 2.796 515 3HD1 ILE 66 HD12 ILE 66 8.681 4.303 1.269 516 HA PRO 67 HA PRO 67 15.796 8.592 3.162 517 1HB PRO 67 HB2 PRO 67 14.892 10.496 4.878 518 2HB PRO 67 HB3 PRO 67 15.107 10.778 3.126 519 1HG PRO 67 HG2 PRO 67 12.545 10.173 4.594 520 2HG PRO 67 HG3 PRO 67 12.820 11.377 3.316 521 1HD PRO 67 HD2 PRO 67 11.746 8.861 2.934 522 2HD PRO 67 HD3 PRO 67 12.643 9.745 1.655 523 H ALA 68 H ALA 68 16.521 7.101 4.563 524 HA ALA 68 HA ALA 68 15.167 5.378 6.230 525 1HB ALA 68 HB3 ALA 68 17.604 5.236 5.582 526 2HB ALA 68 HB1 ALA 68 17.939 6.535 6.744 527 3HB ALA 68 HB2 ALA 68 17.318 4.972 7.314 528 H GLY 69 H GLY 69 14.567 5.231 8.388 529 1HA GLY 69 HA2 GLY 69 14.141 5.928 10.522 530 2HA GLY 69 HA3 GLY 69 15.112 7.379 10.264 531 H ALA 70 H ALA 70 13.240 7.994 7.767 532 HA ALA 70 HA ALA 70 11.555 9.847 9.052 533 1HB ALA 70 HB3 ALA 70 11.342 8.474 6.344 534 2HB ALA 70 HB1 ALA 70 10.448 9.916 6.826 535 3HB ALA 70 HB2 ALA 70 12.219 9.983 6.735 536 H THR 71 H THR 71 9.162 9.914 9.056 537 HA THR 71 HA THR 71 8.062 7.447 10.173 538 HB THR 71 HB THR 71 6.625 10.093 9.742 539 HG1 THR 71 HG1 THR 71 7.396 10.656 11.782 540 1HG2 THR 71 HG21 THR 71 6.401 7.802 11.770 541 2HG2 THR 71 HG22 THR 71 5.396 9.276 11.761 542 3HG2 THR 71 HG23 THR 71 5.305 8.129 10.416 543 H VAL 72 H VAL 72 7.814 6.020 8.480 544 HA VAL 72 HA VAL 72 6.503 6.790 5.962 545 HB VAL 72 HB VAL 72 7.328 4.055 7.033 546 1HG1 VAL 72 HG12 VAL 72 6.349 5.050 4.303 547 2HG1 VAL 72 HG13 VAL 72 7.053 3.446 4.598 548 3HG1 VAL 72 HG11 VAL 72 5.523 3.890 5.362 549 1HG2 VAL 72 HG22 VAL 72 9.244 5.639 6.570 550 2HG2 VAL 72 HG23 VAL 72 9.154 4.278 5.424 551 3HG2 VAL 72 HG21 VAL 72 8.601 5.894 4.954 552 H ASP 73 H ASP 73 4.567 7.612 6.565 553 HA ASP 73 HA ASP 73 2.691 6.066 8.281 554 1HB ASP 73 HB2 ASP 73 2.321 8.702 6.804 555 2HB ASP 73 HB3 ASP 73 1.172 7.978 7.930 556 HD1 ASP 73 HD ASP 73 2.387 7.434 10.139 557 H VAL 74 H VAL 74 1.435 4.512 7.267 558 HA VAL 74 HA VAL 74 1.193 4.716 4.295 559 HB VAL 74 HB VAL 74 1.159 2.227 5.963 560 1HG1 VAL 74 HG12 VAL 74 1.260 2.770 2.945 561 2HG1 VAL 74 HG13 VAL 74 1.438 1.168 3.665 562 3HG1 VAL 74 HG11 VAL 74 -0.094 2.039 3.828 563 1HG2 VAL 74 HG22 VAL 74 3.407 3.441 4.327 564 2HG2 VAL 74 HG23 VAL 74 3.398 3.111 6.077 565 3HG2 VAL 74 HG21 VAL 74 3.391 1.772 4.927 566 H THR 75 H THR 75 -0.743 5.324 3.693 567 HA THR 75 HA THR 75 -3.098 4.712 5.386 568 HB THR 75 HB THR 75 -2.671 6.973 3.433 569 HG1 THR 75 HG1 THR 75 -2.967 6.889 6.268 570 1HG2 THR 75 HG22 THR 75 -5.088 6.283 5.166 571 2HG2 THR 75 HG23 THR 75 -4.852 7.819 4.305 572 3HG2 THR 75 HG21 THR 75 -5.043 6.317 3.393 573 H PHE 76 H PHE 76 -3.979 2.851 4.596 574 HA PHE 76 HA PHE 76 -3.952 2.296 1.706 575 1HB PHE 76 HB2 PHE 76 -5.130 0.972 4.154 576 2HB PHE 76 HB3 PHE 76 -5.766 0.502 2.625 577 HD1 PHE 76 HD1 PHE 76 -2.978 0.550 1.051 578 HD2 PHE 76 HD2 PHE 76 -4.674 -1.426 4.489 579 HE1 PHE 76 HE1 PHE 76 -3.059 -1.537 -0.194 580 HE2 PHE 76 HE2 PHE 76 -4.591 -3.567 3.278 581 HZ PHE 76 HZ PHE 76 -3.910 -3.614 0.888 582 H ILE 77 H ILE 77 -5.778 1.934 0.487 583 HA ILE 77 HA ILE 77 -8.466 2.527 1.574 584 HB ILE 77 HB ILE 77 -7.486 3.664 -1.096 585 1HG1 ILE 77 HG12 ILE 77 -8.866 5.648 0.112 586 2HG1 ILE 77 HG13 ILE 77 -8.301 4.848 1.561 587 1HG2 ILE 77 HG23 ILE 77 -9.743 2.529 -1.241 588 2HG2 ILE 77 HG21 ILE 77 -10.260 3.556 0.115 589 3HG2 ILE 77 HG22 ILE 77 -9.814 4.261 -1.458 590 1HD1 ILE 77 HD11 ILE 77 -5.921 5.066 0.660 591 2HD1 ILE 77 HD12 ILE 77 -6.589 5.916 -0.745 592 3HD1 ILE 77 HD13 ILE 77 -6.735 6.627 0.872 593 H ASN 78 H ASN 78 -8.383 0.272 1.920 594 HA ASN 78 HA ASN 78 -8.276 -1.419 -0.560 595 1HB ASN 78 HB2 ASN 78 -6.736 -2.508 0.703 596 2HB ASN 78 HB3 ASN 78 -7.431 -2.085 2.244 597 1HD2 ASN 78 HD21 ASN 78 -9.494 -5.011 0.072 598 2HD2 ASN 78 HD22 ASN 78 -8.688 -3.729 -0.763 599 H THR 79 H THR 79 -10.257 -0.990 -1.317 600 HA THR 79 HA THR 79 -12.419 -2.365 0.109 601 HB THR 79 HB THR 79 -12.842 0.491 -0.868 602 HG1 THR 79 HG1 THR 79 -11.927 -0.544 1.503 603 1HG2 THR 79 HG21 THR 79 -14.588 -1.559 0.550 604 2HG2 THR 79 HG22 THR 79 -14.961 0.177 0.522 605 3HG2 THR 79 HG23 THR 79 -14.927 -0.733 -0.979 606 H ASN 80 H ASN 80 -11.224 -3.570 -1.755 607 HA ASN 80 HA ASN 80 -12.422 -2.935 -4.376 608 1HB ASN 80 HB2 ASN 80 -10.111 -3.835 -4.153 609 2HB ASN 80 HB3 ASN 80 -10.778 -5.325 -3.474 610 1HD2 ASN 80 HD21 ASN 80 -11.780 -4.333 -7.393 611 2HD2 ASN 80 HD22 ASN 80 -11.332 -3.085 -6.231 612 H LYS 81 H LYS 81 -14.390 -2.865 -3.209 613 HA LYS 81 HA LYS 81 -16.054 -3.783 -1.734 614 1HB LYS 81 HB2 LYS 81 -16.694 -4.322 -4.657 615 2HB LYS 81 HB3 LYS 81 -17.877 -4.314 -3.336 616 1HG LYS 81 HG2 LYS 81 -17.111 -1.971 -2.748 617 2HG LYS 81 HG3 LYS 81 -16.166 -1.976 -4.242 618 1HD LYS 81 HD2 LYS 81 -18.191 -2.324 -5.583 619 2HD LYS 81 HD3 LYS 81 -19.174 -2.458 -4.112 620 1HE LYS 81 HE2 LYS 81 -18.585 -0.122 -3.493 621 2HE LYS 81 HE3 LYS 81 -17.616 0.032 -4.964 622 1HZ LYS 81 HZ2 LYS 81 -20.491 -0.561 -4.929 623 2HZ LYS 81 HZ3 LYS 81 -19.849 0.940 -5.132 624 3HZ LYS 81 HZ1 LYS 81 -19.565 -0.241 -6.255 625 H GLY 82 H GLY 82 -14.817 -5.481 -0.648 626 1HA GLY 82 HA2 GLY 82 -15.764 -7.571 0.291 627 2HA GLY 82 HA3 GLY 82 -15.796 -8.239 -1.345 628 H PHE 83 H PHE 83 -13.292 -7.278 -2.315 629 HA PHE 83 HA PHE 83 -11.630 -9.345 -1.086 630 1HB PHE 83 HB2 PHE 83 -11.129 -7.509 -3.432 631 2HB PHE 83 HB3 PHE 83 -10.057 -8.798 -2.902 632 HD1 PHE 83 HD1 PHE 83 -11.011 -11.207 -2.771 633 HD2 PHE 83 HD2 PHE 83 -13.022 -7.994 -4.840 634 HE1 PHE 83 HE1 PHE 83 -12.412 -12.855 -3.981 635 HE2 PHE 83 HE2 PHE 83 -14.399 -9.649 -6.058 636 HZ PHE 83 HZ PHE 83 -14.094 -12.081 -5.640 637 H GLY 84 H GLY 84 -11.126 -8.664 0.951 638 1HA GLY 84 HA2 GLY 84 -10.030 -6.124 1.604 639 2HA GLY 84 HA3 GLY 84 -9.989 -7.530 2.597 640 H HIS 85 H HIS 85 -8.421 -6.491 -0.456 641 HA HIS 85 HA HIS 85 -6.032 -7.891 -0.356 642 1HB HIS 85 HB2 HIS 85 -6.455 -4.973 -1.091 643 2HB HIS 85 HB3 HIS 85 -5.064 -5.940 -1.571 644 HD2 HIS 85 HD2 HIS 85 -8.478 -4.951 -2.697 645 HE1 HIS 85 HE1 HIS 85 -7.336 -8.114 -5.292 646 HE2 HIS 85 HE2 HIS 85 -9.054 -6.286 -4.884 647 H SER 86 H SER 86 -4.346 -7.960 1.049 648 HA SER 86 HA SER 86 -4.120 -5.946 3.194 649 1HB SER 86 HB2 SER 86 -2.543 -7.504 4.129 650 2HB SER 86 HB3 SER 86 -3.984 -8.395 3.685 651 HG SER 86 HG SER 86 -1.480 -8.736 2.896 652 H PHE 87 H PHE 87 -1.899 -5.078 3.593 653 HA PHE 87 HA PHE 87 -0.102 -4.933 1.225 654 1HB PHE 87 HB2 PHE 87 -1.441 -2.872 1.529 655 2HB PHE 87 HB3 PHE 87 -0.741 -2.598 3.096 656 HD1 PHE 87 HD2 PHE 87 1.891 -2.362 3.158 657 HD2 PHE 87 HD1 PHE 87 -0.465 -2.032 -0.441 658 HE1 PHE 87 HE2 PHE 87 3.607 -0.870 2.152 659 HE2 PHE 87 HE1 PHE 87 1.261 -0.580 -1.440 660 HZ PHE 87 HZ PHE 87 3.288 0.033 -0.136 661 H ASP 88 H ASP 88 1.672 -6.053 2.011 662 HA ASP 88 HA ASP 88 2.448 -5.705 4.881 663 1HB ASP 88 HB2 ASP 88 2.341 -8.285 3.278 664 2HB ASP 88 HB3 ASP 88 2.906 -8.098 4.954 665 HD1 ASP 88 HD ASP 88 -0.331 -7.504 6.210 666 H ILE 89 H ILE 89 4.496 -5.213 5.174 667 HA ILE 89 HA ILE 89 6.259 -4.957 2.819 668 HB ILE 89 HB ILE 89 6.383 -3.633 5.552 669 1HG1 ILE 89 HG12 ILE 89 5.414 -2.611 2.845 670 2HG1 ILE 89 HG13 ILE 89 4.427 -2.870 4.289 671 1HG2 ILE 89 HG21 ILE 89 7.991 -3.212 2.997 672 2HG2 ILE 89 HG22 ILE 89 8.114 -2.213 4.465 673 3HG2 ILE 89 HG23 ILE 89 8.607 -3.892 4.514 674 1HD1 ILE 89 HD12 ILE 89 5.819 -1.122 5.478 675 2HD1 ILE 89 HD13 ILE 89 6.543 -0.728 3.906 676 3HD1 ILE 89 HD11 ILE 89 4.808 -0.530 4.154 677 H THR 90 H THR 90 8.021 -6.215 2.652 678 HA THR 90 HA THR 90 9.450 -7.293 4.913 679 HB THR 90 HB THR 90 7.629 -8.780 4.989 680 HG1 THR 90 HG1 THR 90 9.159 -10.156 5.352 681 1HG2 THR 90 HG23 THR 90 8.028 -9.309 2.009 682 2HG2 THR 90 HG21 THR 90 7.021 -10.301 3.073 683 3HG2 THR 90 HG22 THR 90 6.603 -8.606 2.791 684 H LYS 91 H LYS 91 10.502 -9.473 3.086 685 HA LYS 91 HA LYS 91 11.863 -7.705 1.053 686 1HB LYS 91 HB2 LYS 91 13.228 -9.726 2.869 687 2HB LYS 91 HB3 LYS 91 13.999 -8.736 1.613 688 1HG LYS 91 HG2 LYS 91 13.159 -6.676 2.852 689 2HG LYS 91 HG3 LYS 91 12.722 -7.740 4.197 690 1HD LYS 91 HD2 LYS 91 15.510 -7.362 3.008 691 2HD LYS 91 HD3 LYS 91 14.913 -6.651 4.513 692 1HE LYS 91 HE2 LYS 91 14.562 -8.964 5.440 693 2HE LYS 91 HE3 LYS 91 15.273 -9.638 3.960 694 1HZ LYS 91 HZ3 LYS 91 17.280 -8.456 4.458 695 2HZ LYS 91 HZ1 LYS 91 16.626 -7.841 5.840 696 3HZ LYS 91 HZ2 LYS 91 16.868 -9.463 5.697 697 H LYS 92 H LYS 92 9.649 -9.701 0.796 698 HA LYS 92 HA LYS 92 10.836 -11.894 -0.751 699 1HB LYS 92 HB2 LYS 92 7.977 -10.867 -0.500 700 2HB LYS 92 HB3 LYS 92 8.491 -12.232 -1.504 701 1HG LYS 92 HG2 LYS 92 9.538 -13.225 0.631 702 2HG LYS 92 HG3 LYS 92 8.582 -12.033 1.529 703 1HD LYS 92 HD2 LYS 92 7.492 -14.095 -0.469 704 2HD LYS 92 HD3 LYS 92 7.498 -14.299 1.277 705 1HE LYS 92 HE2 LYS 92 6.032 -12.311 1.540 706 2HE LYS 92 HE3 LYS 92 5.986 -12.123 -0.227 707 1HZ LYS 92 HZ2 LYS 92 5.101 -14.526 1.206 708 2HZ LYS 92 HZ3 LYS 92 4.097 -13.327 0.665 709 3HZ LYS 92 HZ1 LYS 92 4.963 -14.231 -0.406 710 H GLY 93 H GLY 93 12.167 -10.913 -2.291 711 1HA GLY 93 HA2 GLY 93 11.177 -8.891 -4.124 712 2HA GLY 93 HA3 GLY 93 12.660 -9.850 -4.299 713 HA PRO 94 HA PRO 94 9.262 -11.415 -7.176 714 1HB PRO 94 HB2 PRO 94 10.359 -10.703 -9.616 715 2HB PRO 94 HB3 PRO 94 9.211 -9.699 -8.698 716 1HG PRO 94 HG2 PRO 94 12.215 -9.472 -8.778 717 2HG PRO 94 HG3 PRO 94 10.991 -8.164 -8.854 718 1HD PRO 94 HD2 PRO 94 12.325 -8.832 -6.540 719 2HD PRO 94 HD3 PRO 94 10.633 -8.258 -6.530 720 HA PRO 95 HA PRO 95 8.766 -12.888 -8.970 721 1HB PRO 95 HB2 PRO 95 8.279 -15.549 -9.161 722 2HB PRO 95 HB3 PRO 95 9.288 -14.675 -10.350 723 1HG PRO 95 HG2 PRO 95 10.234 -16.304 -7.972 724 2HG PRO 95 HG3 PRO 95 10.806 -16.400 -9.661 725 1HD PRO 95 HD2 PRO 95 12.098 -14.919 -7.738 726 2HD PRO 95 HD3 PRO 95 12.034 -14.383 -9.440 727 H TYR 96 H TYR 96 7.023 -12.657 -7.596 728 HA TYR 96 HA TYR 96 7.297 -13.489 -4.799 729 1HB TYR 96 HB2 TYR 96 4.816 -12.313 -6.019 730 2HB TYR 96 HB3 TYR 96 5.399 -12.195 -4.371 731 HD1 TYR 96 HD1 TYR 96 7.247 -10.588 -3.814 732 HD2 TYR 96 HD2 TYR 96 5.601 -10.840 -7.793 733 HE1 TYR 96 HE1 TYR 96 8.324 -8.426 -4.416 734 HE2 TYR 96 HE2 TYR 96 6.821 -8.798 -8.423 735 HH TYR 96 HH TYR 96 8.028 -7.019 -7.668 736 H ALA 97 H ALA 97 5.916 -15.087 -3.818 737 HA ALA 97 HA ALA 97 5.331 -17.235 -5.659 738 1HB ALA 97 HB2 ALA 97 6.341 -17.660 -3.446 739 2HB ALA 97 HB3 ALA 97 4.889 -17.018 -2.645 740 3HB ALA 97 HB1 ALA 97 4.790 -18.513 -3.597 741 H VAL 98 H VAL 98 3.454 -18.230 -6.158 742 HA VAL 98 HA VAL 98 1.030 -16.679 -6.234 743 HB VAL 98 HB VAL 98 1.631 -19.619 -6.799 744 1HG1 VAL 98 HG12 VAL 98 -0.897 -18.026 -7.418 745 2HG1 VAL 98 HG13 VAL 98 -0.520 -19.645 -8.035 746 3HG1 VAL 98 HG11 VAL 98 -0.769 -19.403 -6.304 747 1HG2 VAL 98 HG23 VAL 98 2.774 -18.025 -8.325 748 2HG2 VAL 98 HG21 VAL 98 1.502 -18.923 -9.164 749 3HG2 VAL 98 HG22 VAL 98 1.219 -17.242 -8.669 750 H MET 99 H MET 99 2.268 -19.370 -4.236 751 HA MET 99 HA MET 99 -0.160 -19.535 -2.655 752 1HB MET 99 HB2 MET 99 2.582 -20.809 -2.351 753 2HB MET 99 HB3 MET 99 1.239 -21.046 -1.224 754 1HG MET 99 HG2 MET 99 1.185 -22.890 -2.689 755 2HG MET 99 HG3 MET 99 -0.177 -21.861 -3.128 756 1HE MET 99 HE2 MET 99 0.744 -24.280 -4.890 757 2HE MET 99 HE3 MET 99 -0.570 -23.169 -5.351 758 3HE MET 99 HE1 MET 99 0.720 -23.553 -6.514 759 HA PRO 100 HA PRO 100 1.164 -16.258 0.170 760 1HB PRO 100 HB2 PRO 100 -0.395 -17.839 2.235 761 2HB PRO 100 HB3 PRO 100 -0.438 -16.088 1.883 762 1HG PRO 100 HG2 PRO 100 -2.386 -17.716 0.974 763 2HG PRO 100 HG3 PRO 100 -1.678 -16.495 -0.129 764 1HD PRO 100 HD2 PRO 100 -0.982 -19.444 0.042 765 2HD PRO 100 HD3 PRO 100 -1.375 -18.424 -1.378 766 H VAL 101 H VAL 101 3.389 -17.517 -0.136 767 HA VAL 101 HA VAL 101 4.315 -18.930 2.262 768 HB VAL 101 HB VAL 101 5.979 -17.746 0.005 769 1HG1 VAL 101 HG12 VAL 101 7.197 -18.411 2.127 770 2HG1 VAL 101 HG13 VAL 101 6.527 -20.038 1.956 771 3HG1 VAL 101 HG11 VAL 101 7.639 -19.398 0.730 772 1HG2 VAL 101 HG23 VAL 101 4.723 -20.516 0.280 773 2HG2 VAL 101 HG21 VAL 101 4.378 -19.325 -0.987 774 3HG2 VAL 101 HG22 VAL 101 5.970 -20.076 -0.908 775 H ILE 102 H ILE 102 3.376 -17.250 3.640 776 HA ILE 102 HA ILE 102 4.417 -14.584 3.582 777 HB ILE 102 HB ILE 102 3.316 -14.319 5.746 778 1HG1 ILE 102 HG12 ILE 102 1.967 -17.016 5.208 779 2HG1 ILE 102 HG13 ILE 102 3.316 -16.868 6.334 780 1HG2 ILE 102 HG21 ILE 102 2.316 -13.734 3.565 781 2HG2 ILE 102 HG22 ILE 102 1.622 -15.360 3.429 782 3HG2 ILE 102 HG23 ILE 102 1.065 -14.255 4.698 783 1HD1 ILE 102 HD11 ILE 102 2.045 -15.191 7.654 784 2HD1 ILE 102 HD12 ILE 102 0.646 -15.429 6.582 785 3HD1 ILE 102 HD13 ILE 102 1.245 -16.773 7.567 786 H ASP 103 H ASP 103 6.468 -14.710 3.579 787 HA ASP 103 HA ASP 103 8.193 -15.762 5.683 788 1HB ASP 103 HB2 ASP 103 8.604 -13.751 3.416 789 2HB ASP 103 HB3 ASP 103 9.849 -14.073 4.604 790 HD1 ASP 103 HD ASP 103 7.667 -16.094 2.571 791 HA PRO 104 HA PRO 104 7.664 -12.968 8.972 792 1HB PRO 104 HB2 PRO 104 10.493 -12.002 8.458 793 2HB PRO 104 HB3 PRO 104 9.684 -12.259 10.035 794 1HG PRO 104 HG2 PRO 104 11.245 -14.224 9.036 795 2HG PRO 104 HG3 PRO 104 9.627 -14.645 9.675 796 1HD PRO 104 HD2 PRO 104 10.479 -14.328 6.803 797 2HD PRO 104 HD3 PRO 104 9.394 -15.539 7.540 798 H ILE 105 H ILE 105 6.223 -11.356 8.682 799 HA ILE 105 HA ILE 105 6.697 -9.162 6.803 800 HB ILE 105 HB ILE 105 4.426 -9.780 8.713 801 1HG1 ILE 105 HG12 ILE 105 4.387 -11.357 6.911 802 2HG1 ILE 105 HG13 ILE 105 3.154 -10.143 6.580 803 1HG2 ILE 105 HG23 ILE 105 4.709 -7.506 6.714 804 2HG2 ILE 105 HG21 ILE 105 3.186 -7.988 7.493 805 3HG2 ILE 105 HG22 ILE 105 4.517 -7.381 8.472 806 1HD1 ILE 105 HD13 ILE 105 4.958 -9.007 5.045 807 2HD1 ILE 105 HD11 ILE 105 5.836 -10.537 5.220 808 3HD1 ILE 105 HD12 ILE 105 4.224 -10.530 4.498 809 H VAL 106 H VAL 106 7.428 -7.186 7.287 810 HA VAL 106 HA VAL 106 8.431 -6.729 10.037 811 HB VAL 106 HB VAL 106 8.737 -5.148 7.438 812 1HG1 VAL 106 HG12 VAL 106 10.040 -4.749 10.175 813 2HG1 VAL 106 HG13 VAL 106 10.470 -3.883 8.687 814 3HG1 VAL 106 HG11 VAL 106 8.879 -3.638 9.417 815 1HG2 VAL 106 HG23 VAL 106 10.685 -6.916 8.969 816 2HG2 VAL 106 HG21 VAL 106 9.948 -7.291 7.399 817 3HG2 VAL 106 HG22 VAL 106 11.069 -5.931 7.540 818 H ALA 107 H ALA 107 6.831 -4.573 7.739 819 HA ALA 107 HA ALA 107 4.887 -3.749 9.854 820 1HB ALA 107 HB2 ALA 107 6.369 -1.878 9.169 821 2HB ALA 107 HB3 ALA 107 5.848 -2.100 7.486 822 3HB ALA 107 HB1 ALA 107 4.674 -1.606 8.732 823 H GLY 108 H GLY 108 2.580 -3.526 9.084 824 1HA GLY 108 HA2 GLY 108 1.949 -3.926 6.390 825 2HA GLY 108 HA3 GLY 108 1.948 -5.541 7.151 826 H THR 109 H THR 109 -0.284 -4.935 6.060 827 HA THR 109 HA THR 109 -2.187 -4.241 8.256 828 HB THR 109 HB THR 109 -3.747 -3.742 6.314 829 HG1 THR 109 HG1 THR 109 -1.244 -3.718 4.950 830 1HG2 THR 109 HG22 THR 109 -1.234 -2.105 6.705 831 2HG2 THR 109 HG23 THR 109 -2.728 -1.480 5.972 832 3HG2 THR 109 HG21 THR 109 -2.701 -1.977 7.681 833 H GLY 110 H GLY 110 -4.073 -5.555 8.357 834 1HA GLY 110 HA2 GLY 110 -3.738 -8.336 7.324 835 2HA GLY 110 HA3 GLY 110 -4.870 -7.778 8.550 836 H PHE 111 H PHE 111 -6.973 -7.979 7.650 837 HA PHE 111 HA PHE 111 -7.413 -7.078 4.818 838 1HB PHE 111 HB2 PHE 111 -9.181 -9.032 6.261 839 2HB PHE 111 HB3 PHE 111 -9.079 -8.696 4.543 840 HD1 PHE 111 HD1 PHE 111 -6.225 -8.935 3.905 841 HD2 PHE 111 HD2 PHE 111 -8.627 -11.326 6.570 842 HE1 PHE 111 HE1 PHE 111 -4.662 -10.834 3.610 843 HE2 PHE 111 HE2 PHE 111 -7.065 -13.222 6.263 844 HZ PHE 111 HZ PHE 111 -5.080 -12.982 4.780 845 H SER 112 H SER 112 -8.970 -5.493 4.533 846 HA SER 112 HA SER 112 -9.602 -4.028 6.911 847 1HB SER 112 HB2 SER 112 -10.047 -2.252 5.416 848 2HB SER 112 HB3 SER 112 -8.944 -3.240 4.491 849 HG SER 112 HG SER 112 -10.686 -2.829 3.175 850 HA PRO 113 HA PRO 113 -13.945 -4.780 7.521 851 1HB PRO 113 HB2 PRO 113 -14.582 -1.915 6.840 852 2HB PRO 113 HB3 PRO 113 -15.050 -2.844 8.287 853 1HG PRO 113 HG2 PRO 113 -13.048 -1.003 8.448 854 2HG PRO 113 HG3 PRO 113 -12.844 -2.607 9.217 855 1HD PRO 113 HD2 PRO 113 -11.881 -1.722 6.494 856 2HD PRO 113 HD3 PRO 113 -10.948 -2.514 7.805 857 H VAL 114 H VAL 114 -12.784 -3.790 4.444 858 HA VAL 114 HA VAL 114 -13.691 -3.414 2.417 859 HB VAL 114 HB VAL 114 -14.614 -5.569 1.530 860 1HG1 VAL 114 HG13 VAL 114 -12.229 -5.035 1.536 861 2HG1 VAL 114 HG11 VAL 114 -12.067 -5.668 3.193 862 3HG1 VAL 114 HG12 VAL 114 -12.515 -6.754 1.876 863 1HG2 VAL 114 HG21 VAL 114 -15.709 -6.415 3.645 864 2HG2 VAL 114 HG22 VAL 114 -14.556 -7.554 2.928 865 3HG2 VAL 114 HG23 VAL 114 -14.090 -6.610 4.350 866 HA PRO 115 HA PRO 115 -17.998 -2.021 3.352 867 1HB PRO 115 HB2 PRO 115 -16.739 0.394 2.071 868 2HB PRO 115 HB3 PRO 115 -17.966 0.330 3.386 869 1HG PRO 115 HG2 PRO 115 -15.432 0.869 4.042 870 2HG PRO 115 HG3 PRO 115 -16.335 -0.369 4.973 871 1HD PRO 115 HD2 PRO 115 -14.371 -0.882 2.734 872 2HD PRO 115 HD3 PRO 115 -14.460 -1.589 4.361 873 H LYS 116 H LYS 116 -19.391 -0.705 1.610 874 HA LYS 116 HA LYS 116 -18.751 -1.492 -1.153 875 1HB LYS 116 HB2 LYS 116 -21.348 -2.357 0.171 876 2HB LYS 116 HB3 LYS 116 -20.779 -2.739 -1.462 877 1HG LYS 116 HG2 LYS 116 -18.835 -4.003 -0.375 878 2HG LYS 116 HG3 LYS 116 -19.645 -3.751 1.171 879 1HD LYS 116 HD2 LYS 116 -20.389 -5.865 0.596 880 2HD LYS 116 HD3 LYS 116 -21.732 -4.831 0.107 881 1HE LYS 116 HE2 LYS 116 -21.361 -6.449 -1.640 882 2HE LYS 116 HE3 LYS 116 -20.785 -4.901 -2.274 883 1HZ LYS 116 HZ3 LYS 116 -19.122 -7.029 -1.106 884 2HZ LYS 116 HZ1 LYS 116 -19.257 -6.686 -2.710 885 3HZ LYS 116 HZ2 LYS 116 -18.554 -5.603 -1.694 886 H ASP 117 H ASP 117 -21.020 -0.928 -2.370 887 HA ASP 117 HA ASP 117 -22.236 0.669 -3.326 888 1HB ASP 117 HB2 ASP 117 -23.610 0.674 -1.363 889 2HB ASP 117 HB3 ASP 117 -22.523 1.768 -0.497 890 HD2 ASP 117 HD ASP 117 -23.812 4.588 -1.976 891 H GLY 118 H GLY 118 -20.639 2.733 -0.924 892 1HA GLY 118 HA2 GLY 118 -18.745 3.829 -2.868 893 2HA GLY 118 HA3 GLY 118 -20.037 4.959 -2.425 894 H LYS 119 H LYS 119 -19.101 2.640 0.017 895 HA LYS 119 HA LYS 119 -17.811 4.755 1.637 896 1HB LYS 119 HB2 LYS 119 -18.852 1.970 2.215 897 2HB LYS 119 HB3 LYS 119 -17.972 2.956 3.409 898 1HG LYS 119 HG2 LYS 119 -19.690 4.722 3.211 899 2HG LYS 119 HG3 LYS 119 -20.593 3.751 2.049 900 1HD LYS 119 HD2 LYS 119 -19.993 3.047 4.968 901 2HD LYS 119 HD3 LYS 119 -21.547 3.580 4.314 902 1HE LYS 119 HE2 LYS 119 -20.143 0.919 3.854 903 2HE LYS 119 HE3 LYS 119 -21.703 1.221 4.614 904 1HZ LYS 119 HZ3 LYS 119 -22.494 1.994 2.459 905 2HZ LYS 119 HZ1 LYS 119 -21.054 1.569 1.766 906 3HZ LYS 119 HZ2 LYS 119 -22.019 0.416 2.436 907 H PHE 120 H PHE 120 -15.717 4.223 2.590 908 HA PHE 120 HA PHE 120 -14.053 2.283 1.019 909 1HB PHE 120 HB2 PHE 120 -13.939 5.257 1.271 910 2HB PHE 120 HB3 PHE 120 -12.416 4.434 1.130 911 HD1 PHE 120 HD2 PHE 120 -12.108 2.739 -0.813 912 HD2 PHE 120 HD1 PHE 120 -15.622 5.113 -0.565 913 HE1 PHE 120 HE2 PHE 120 -12.535 2.310 -3.219 914 HE2 PHE 120 HE1 PHE 120 -16.169 4.575 -2.915 915 HZ PHE 120 HZ PHE 120 -14.576 3.286 -4.290 916 H GLY 121 H GLY 121 -13.334 0.954 2.498 917 1HA GLY 121 HA2 GLY 121 -12.691 1.591 5.245 918 2HA GLY 121 HA3 GLY 121 -12.371 0.086 4.376 919 H TYR 122 H TYR 122 -10.957 2.856 5.641 920 HA TYR 122 HA TYR 122 -8.479 2.485 4.039 921 1HB TYR 122 HB2 TYR 122 -7.769 4.699 4.588 922 2HB TYR 122 HB3 TYR 122 -9.307 4.742 3.793 923 HD1 TYR 122 HD1 TYR 122 -11.310 5.440 5.233 924 HD2 TYR 122 HD2 TYR 122 -7.229 5.684 6.580 925 HE1 TYR 122 HE1 TYR 122 -11.912 7.296 6.812 926 HE2 TYR 122 HE2 TYR 122 -7.800 7.661 7.936 927 HH TYR 122 HH TYR 122 -9.467 9.071 8.662 928 H THR 123 H THR 123 -6.534 3.220 5.567 929 HA THR 123 HA THR 123 -6.799 2.086 8.233 930 HB THR 123 HB THR 123 -4.601 1.076 6.406 931 HG1 THR 123 HG1 THR 123 -7.273 0.255 6.348 932 1HG2 THR 123 HG22 THR 123 -6.124 -0.217 8.671 933 2HG2 THR 123 HG23 THR 123 -4.817 -0.972 7.750 934 3HG2 THR 123 HG21 THR 123 -4.479 0.465 8.742 935 H ASP 124 H ASP 124 -4.845 2.684 9.471 936 HA ASP 124 HA ASP 124 -2.935 4.514 8.066 937 1HB ASP 124 HB2 ASP 124 -4.434 5.221 10.620 938 2HB ASP 124 HB3 ASP 124 -3.003 6.061 10.017 939 HD1 ASP 124 HD ASP 124 -4.794 7.455 7.276 940 H PHE 125 H PHE 125 -1.396 2.859 8.187 941 HA PHE 125 HA PHE 125 -0.599 2.119 10.983 942 1HB PHE 125 HB2 PHE 125 0.410 0.206 10.317 943 2HB PHE 125 HB3 PHE 125 -1.138 0.170 9.508 944 HD1 PHE 125 HD2 PHE 125 -1.246 0.509 7.007 945 HD2 PHE 125 HD1 PHE 125 2.515 0.220 9.110 946 HE1 PHE 125 HE2 PHE 125 -0.169 -0.423 4.974 947 HE2 PHE 125 HE1 PHE 125 3.610 -0.529 7.017 948 HZ PHE 125 HZ PHE 125 2.262 -0.957 4.991 949 H THR 126 H THR 126 1.997 2.031 11.063 950 HA THR 126 HA THR 126 3.199 4.003 9.313 951 HB THR 126 HB THR 126 2.544 4.605 12.223 952 HG1 THR 126 HG1 THR 126 1.285 5.242 10.170 953 1HG2 THR 126 HG21 THR 126 4.591 5.978 10.443 954 2HG2 THR 126 HG22 THR 126 3.939 6.661 11.953 955 3HG2 THR 126 HG23 THR 126 4.907 5.182 12.001 956 H TRP 127 H TRP 127 5.464 3.988 9.418 957 HA TRP 127 HA TRP 127 6.765 2.022 11.196 958 1HB TRP 127 HB2 TRP 127 5.985 0.762 9.240 959 2HB TRP 127 HB3 TRP 127 6.567 2.010 8.150 960 HD1 TRP 127 HD1 TRP 127 8.598 0.166 10.851 961 HE1 TRP 127 HE1 TRP 127 10.555 -1.054 9.751 962 HE3 TRP 127 HE3 TRP 127 7.572 1.273 5.980 963 HZ2 TRP 127 HZ2 TRP 127 11.497 -1.584 7.025 964 HZ3 TRP 127 HZ3 TRP 127 9.096 0.491 4.168 965 HH2 TRP 127 HH2 TRP 127 10.904 -1.050 4.647 966 H HIS 128 H HIS 128 9.008 2.279 11.356 967 HA HIS 128 HA HIS 128 10.204 4.764 10.208 968 1HB HIS 128 HB2 HIS 128 10.646 3.420 12.881 969 2HB HIS 128 HB3 HIS 128 11.795 4.542 12.144 970 HD1 HIS 128 HD1 HIS 128 10.976 7.114 11.792 971 HD2 HIS 128 HD2 HIS 128 8.392 4.529 13.918 972 HE1 HIS 128 HE1 HIS 128 9.264 8.601 12.985 973 HE2 HIS 128 HE2 HIS 128 7.691 7.028 14.258 974 HA PRO 129 HA PRO 129 12.076 1.112 8.312 975 1HB PRO 129 HB2 PRO 129 12.749 2.093 5.948 976 2HB PRO 129 HB3 PRO 129 11.032 2.060 6.435 977 1HG PRO 129 HG2 PRO 129 12.931 4.424 6.634 978 2HG PRO 129 HG3 PRO 129 11.322 4.387 5.892 979 1HD PRO 129 HD2 PRO 129 11.767 5.147 8.494 980 2HD PRO 129 HD3 PRO 129 10.246 4.325 7.994 981 H THR 130 H THR 130 14.149 0.248 8.138 982 HA THR 130 HA THR 130 16.492 1.917 8.725 983 HB THR 130 HB THR 130 17.462 -0.555 8.607 984 HG1 THR 130 HG1 THR 130 15.677 -1.555 7.640 985 1HG2 THR 130 HG22 THR 130 15.402 0.214 10.729 986 2HG2 THR 130 HG23 THR 130 16.657 -1.029 10.898 987 3HG2 THR 130 HG21 THR 130 17.119 0.677 10.732 988 H ALA 131 H ALA 131 18.373 1.823 7.255 989 HA ALA 131 HA ALA 131 17.622 2.316 4.589 990 1HB ALA 131 HB2 ALA 131 19.630 3.247 5.655 991 2HB ALA 131 HB3 ALA 131 20.390 1.637 5.617 992 3HB ALA 131 HB1 ALA 131 19.992 2.482 4.102 993 H GLY 132 H GLY 132 18.564 1.216 2.635 994 1HA GLY 132 HA2 GLY 132 19.448 -0.724 1.569 995 2HA GLY 132 HA3 GLY 132 18.722 -1.776 2.810 996 H THR 133 H THR 133 16.964 -2.878 1.852 997 HA THR 133 HA THR 133 15.060 -1.344 0.307 998 HB THR 133 HB THR 133 16.544 -3.651 -1.013 999 HG1 THR 133 HG1 THR 133 16.925 -0.903 -0.991 1000 1HG2 THR 133 HG21 THR 133 14.431 -1.724 -2.093 1001 2HG2 THR 133 HG22 THR 133 15.368 -2.871 -3.067 1002 3HG2 THR 133 HG23 THR 133 14.234 -3.475 -1.853 1003 H TYR 134 H TYR 134 13.063 -2.289 0.161 1004 HA TYR 134 HA TYR 134 12.596 -4.971 1.316 1005 1HB TYR 134 HB2 TYR 134 10.936 -2.555 2.103 1006 2HB TYR 134 HB3 TYR 134 10.875 -4.148 2.798 1007 HD1 TYR 134 HD1 TYR 134 12.781 -1.009 2.586 1008 HD2 TYR 134 HD2 TYR 134 12.518 -4.858 4.504 1009 HE1 TYR 134 HE1 TYR 134 14.631 -0.393 4.055 1010 HE2 TYR 134 HE2 TYR 134 14.377 -4.216 6.023 1011 HH TYR 134 HH TYR 134 16.262 -1.224 5.538 1012 H TYR 135 H TYR 135 10.103 -5.383 0.958 1013 HA TYR 135 HA TYR 135 9.197 -4.329 -1.643 1014 1HB TYR 135 HB2 TYR 135 9.548 -7.244 -0.860 1015 2HB TYR 135 HB3 TYR 135 8.497 -6.718 -2.167 1016 HD1 TYR 135 HD2 TYR 135 12.049 -6.929 -1.072 1017 HD2 TYR 135 HD1 TYR 135 9.350 -5.979 -4.296 1018 HE1 TYR 135 HE2 TYR 135 13.940 -6.970 -2.656 1019 HE2 TYR 135 HE1 TYR 135 11.241 -6.071 -5.892 1020 HH TYR 135 HH TYR 135 14.590 -6.766 -4.860 1021 H TYR 136 H TYR 136 6.968 -4.118 -1.725 1022 HA TYR 136 HA TYR 136 5.418 -4.937 0.699 1023 1HB TYR 136 HB2 TYR 136 3.774 -3.297 0.086 1024 2HB TYR 136 HB3 TYR 136 5.333 -2.571 0.433 1025 HD1 TYR 136 HD2 TYR 136 2.816 -3.220 -2.196 1026 HD2 TYR 136 HD1 TYR 136 6.593 -1.384 -1.284 1027 HE1 TYR 136 HE2 TYR 136 2.545 -1.657 -4.142 1028 HE2 TYR 136 HE1 TYR 136 6.292 0.186 -3.172 1029 HH TYR 136 HH TYR 136 4.999 0.630 -5.091 1030 H VAL 137 H VAL 137 3.694 -6.332 0.407 1031 HA VAL 137 HA VAL 137 2.746 -6.953 -2.325 1032 HB VAL 137 HB VAL 137 2.992 -9.356 -1.996 1033 1HG1 VAL 137 HG12 VAL 137 4.770 -8.152 -3.223 1034 2HG1 VAL 137 HG13 VAL 137 5.722 -8.052 -1.722 1035 3HG1 VAL 137 HG11 VAL 137 5.336 -9.628 -2.426 1036 1HG2 VAL 137 HG22 VAL 137 3.036 -9.458 0.492 1037 2HG2 VAL 137 HG23 VAL 137 4.418 -10.295 -0.219 1038 3HG2 VAL 137 HG21 VAL 137 4.637 -8.688 0.493 1039 H CYS 138 H CYS 138 0.886 -8.493 -2.209 1040 HA CYS 138 HA CYS 138 -0.887 -8.047 0.161 1041 1HB CYS 138 HB2 CYS 138 -1.817 -7.145 -1.860 1042 2HB CYS 138 HB3 CYS 138 -1.383 -8.598 -2.773 1043 H GLN 139 H GLN 139 -1.643 -9.845 1.233 1044 HA GLN 139 HA GLN 139 -0.137 -12.305 0.878 1045 1HB GLN 139 HB2 GLN 139 -2.305 -11.401 2.798 1046 2HB GLN 139 HB3 GLN 139 -1.544 -12.996 2.895 1047 1HG GLN 139 HG2 GLN 139 0.630 -12.087 3.256 1048 2HG GLN 139 HG3 GLN 139 0.110 -10.447 2.896 1049 1HE2 GLN 139 HE21 GLN 139 0.325 -11.039 6.652 1050 2HE2 GLN 139 HE22 GLN 139 1.447 -11.419 5.358 1051 H ILE 140 H ILE 140 -3.331 -11.279 -0.121 1052 HA ILE 140 HA ILE 140 -4.614 -13.777 -0.145 1053 HB ILE 140 HB ILE 140 -5.017 -11.428 -1.998 1054 1HG1 ILE 140 HG12 ILE 140 -6.306 -12.210 0.660 1055 2HG1 ILE 140 HG13 ILE 140 -5.255 -10.818 0.380 1056 1HG2 ILE 140 HG23 ILE 140 -6.052 -13.509 -2.900 1057 2HG2 ILE 140 HG21 ILE 140 -6.932 -13.707 -1.364 1058 3HG2 ILE 140 HG22 ILE 140 -7.258 -12.325 -2.423 1059 1HD1 ILE 140 HD11 ILE 140 -6.987 -9.907 -1.217 1060 2HD1 ILE 140 HD12 ILE 140 -8.079 -11.192 -0.646 1061 3HD1 ILE 140 HD13 ILE 140 -7.452 -9.996 0.494 1062 HA PRO 141 HA PRO 141 -2.074 -16.133 -2.849 1063 1HB PRO 141 HB2 PRO 141 -4.706 -17.142 -3.972 1064 2HB PRO 141 HB3 PRO 141 -3.235 -18.086 -3.591 1065 1HG PRO 141 HG2 PRO 141 -5.317 -17.990 -1.839 1066 2HG PRO 141 HG3 PRO 141 -3.642 -17.880 -1.244 1067 1HD PRO 141 HD2 PRO 141 -5.658 -15.692 -1.558 1068 2HD PRO 141 HD3 PRO 141 -4.363 -15.905 -0.340 1069 H GLY 142 H GLY 142 -1.167 -16.100 -4.890 1070 1HA GLY 142 HA2 GLY 142 -0.848 -15.655 -7.117 1071 2HA GLY 142 HA3 GLY 142 -2.577 -15.350 -7.275 1072 H HIS 143 H HIS 143 -2.754 -13.154 -5.435 1073 HA HIS 143 HA HIS 143 -2.541 -11.045 -7.167 1074 1HB HIS 143 HB2 HIS 143 -2.450 -10.994 -4.138 1075 2HB HIS 143 HB3 HIS 143 -2.718 -9.610 -5.188 1076 HD2 HIS 143 HD2 HIS 143 -4.635 -12.529 -6.597 1077 HE1 HIS 143 HE1 HIS 143 -7.397 -10.318 -4.259 1078 HE2 HIS 143 HE2 HIS 143 -7.136 -12.161 -5.985 1079 H ALA 144 H ALA 144 -0.058 -11.771 -4.641 1080 HA ALA 144 HA ALA 144 1.631 -9.558 -5.287 1081 1HB ALA 144 HB2 ALA 144 1.819 -10.894 -3.211 1082 2HB ALA 144 HB3 ALA 144 2.520 -12.231 -4.152 1083 3HB ALA 144 HB1 ALA 144 3.355 -10.657 -4.080 1084 H ALA 145 H ALA 145 1.669 -12.984 -6.368 1085 HA ALA 145 HA ALA 145 3.968 -12.836 -8.031 1086 1HB ALA 145 HB1 ALA 145 2.929 -14.950 -7.232 1087 2HB ALA 145 HB2 ALA 145 1.544 -14.659 -8.306 1088 3HB ALA 145 HB3 ALA 145 3.164 -14.921 -8.984 1089 H THR 146 H THR 146 0.534 -12.239 -8.718 1090 HA THR 146 HA THR 146 0.996 -11.894 -11.556 1091 HB THR 146 HB THR 146 -1.429 -11.249 -11.582 1092 HG1 THR 146 HG1 THR 146 -1.322 -12.062 -8.870 1093 1HG2 THR 146 HG21 THR 146 -0.685 -13.893 -10.242 1094 2HG2 THR 146 HG22 THR 146 -2.220 -13.534 -11.058 1095 3HG2 THR 146 HG23 THR 146 -0.710 -13.563 -11.985 1096 H GLY 147 H GLY 147 0.413 -9.503 -8.845 1097 1HA GLY 147 HA2 GLY 147 1.569 -7.465 -10.613 1098 2HA GLY 147 HA3 GLY 147 -0.185 -7.371 -10.515 1099 H MET 148 H MET 148 -0.404 -7.896 -7.557 1100 HA MET 148 HA MET 148 0.221 -5.080 -7.002 1101 1HB MET 148 HB2 MET 148 -0.854 -5.571 -4.746 1102 2HB MET 148 HB3 MET 148 -1.730 -5.202 -6.207 1103 1HG MET 148 HG2 MET 148 -2.384 -7.540 -6.416 1104 2HG MET 148 HG3 MET 148 -1.269 -7.970 -5.093 1105 1HE MET 148 HE3 MET 148 -4.359 -5.611 -5.939 1106 2HE MET 148 HE2 MET 148 -4.846 -5.149 -4.277 1107 3HE MET 148 HE1 MET 148 -3.315 -4.570 -4.926 1108 H PHE 149 H PHE 149 2.361 -4.835 -6.864 1109 HA PHE 149 HA PHE 149 3.511 -5.490 -4.292 1110 1HB PHE 149 HB2 PHE 149 5.452 -6.711 -5.227 1111 2HB PHE 149 HB3 PHE 149 3.954 -7.497 -5.618 1112 HD1 PHE 149 HD1 PHE 149 6.479 -5.114 -7.162 1113 HD2 PHE 149 HD2 PHE 149 3.334 -7.977 -7.861 1114 HE1 PHE 149 HE1 PHE 149 7.126 -5.247 -9.533 1115 HE2 PHE 149 HE2 PHE 149 4.058 -8.191 -10.216 1116 HZ PHE 149 HZ PHE 149 6.018 -6.881 -11.037 1117 H GLY 150 H GLY 150 5.982 -4.579 -4.373 1118 1HA GLY 150 HA2 GLY 150 6.954 -2.789 -6.324 1119 2HA GLY 150 HA3 GLY 150 5.965 -1.831 -5.245 1120 H LYS 151 H LYS 151 8.638 -1.452 -5.534 1121 HA LYS 151 HA LYS 151 10.169 -2.851 -3.415 1122 1HB LYS 151 HB2 LYS 151 10.800 -1.057 -5.771 1123 2HB LYS 151 HB3 LYS 151 12.029 -1.436 -4.549 1124 1HG LYS 151 HG2 LYS 151 11.960 -3.746 -5.084 1125 2HG LYS 151 HG3 LYS 151 10.512 -3.560 -6.111 1126 1HD LYS 151 HD2 LYS 151 11.818 -2.094 -7.653 1127 2HD LYS 151 HD3 LYS 151 13.256 -2.318 -6.637 1128 1HE LYS 151 HE2 LYS 151 13.188 -4.765 -7.084 1129 2HE LYS 151 HE3 LYS 151 11.745 -4.543 -8.093 1130 1HZ LYS 151 HZ3 LYS 151 13.056 -3.163 -9.537 1131 2HZ LYS 151 HZ1 LYS 151 14.395 -3.384 -8.600 1132 3HZ LYS 151 HZ2 LYS 151 13.726 -4.662 -9.394 1133 H ILE 152 H ILE 152 11.066 -1.733 -1.702 1134 HA ILE 152 HA ILE 152 10.490 1.189 -1.398 1135 HB ILE 152 HB ILE 152 10.749 -0.846 0.847 1136 1HG1 ILE 152 HG12 ILE 152 8.231 0.175 -0.480 1137 2HG1 ILE 152 HG13 ILE 152 8.762 -1.508 -0.210 1138 1HG2 ILE 152 HG22 ILE 152 11.324 1.624 1.194 1139 2HG2 ILE 152 HG23 ILE 152 9.622 1.964 0.819 1140 3HG2 ILE 152 HG21 ILE 152 10.071 0.987 2.245 1141 1HD1 ILE 152 HD13 ILE 152 8.607 -1.084 2.261 1142 2HD1 ILE 152 HD11 ILE 152 7.798 0.459 1.890 1143 3HD1 ILE 152 HD12 ILE 152 7.059 -1.068 1.386 1144 H VAL 153 H VAL 153 12.522 1.980 -2.019 1145 HA VAL 153 HA VAL 153 14.976 0.641 -0.996 1146 HB VAL 153 HB VAL 153 14.812 3.170 -2.624 1147 1HG1 VAL 153 HG11 VAL 153 16.972 2.575 -1.476 1148 2HG1 VAL 153 HG12 VAL 153 16.975 1.011 -2.293 1149 3HG1 VAL 153 HG13 VAL 153 17.137 2.505 -3.237 1150 1HG2 VAL 153 HG21 VAL 153 14.930 0.303 -3.687 1151 2HG2 VAL 153 HG22 VAL 153 13.651 1.496 -4.005 1152 3HG2 VAL 153 HG23 VAL 153 15.273 1.751 -4.658 1153 H VAL 154 H VAL 154 15.997 1.544 0.808 1154 HA VAL 154 HA VAL 154 14.925 4.142 1.837 1155 HB VAL 154 HB VAL 154 15.728 1.719 3.461 1156 1HG1 VAL 154 HG12 VAL 154 16.049 3.963 4.539 1157 2HG1 VAL 154 HG13 VAL 154 14.357 4.354 4.197 1158 3HG1 VAL 154 HG11 VAL 154 14.760 3.050 5.328 1159 1HG2 VAL 154 HG22 VAL 154 13.596 1.260 2.284 1160 2HG2 VAL 154 HG23 VAL 154 13.368 1.482 4.016 1161 3HG2 VAL 154 HG21 VAL 154 12.931 2.790 2.904 1162 H LYS 155 H LYS 155 16.577 5.658 2.071 1163 HA LYS 155 HA LYS 155 19.348 4.655 2.536 1164 1HB LYS 155 HB2 LYS 155 18.723 6.658 0.336 1165 2HB LYS 155 HB3 LYS 155 20.284 5.936 0.777 1166 1HG LYS 155 HG2 LYS 155 19.373 3.686 0.054 1167 2HG LYS 155 HG3 LYS 155 17.887 4.502 -0.440 1168 1HD LYS 155 HD2 LYS 155 19.249 4.128 -2.389 1169 2HD LYS 155 HD3 LYS 155 19.078 5.857 -2.086 1170 1HE LYS 155 HE2 LYS 155 21.373 5.217 -2.789 1171 2HE LYS 155 HE3 LYS 155 21.370 5.976 -1.197 1172 1HZ LYS 155 HZ2 LYS 155 21.469 3.082 -1.720 1173 2HZ LYS 155 HZ3 LYS 155 22.749 4.028 -1.288 1174 3HZ LYS 155 HZ1 LYS 155 21.509 3.790 -0.230 No H/Q in entry = 1174 Start of MODEL 11 1 H GLY 1 H GLY 1 -5.684 -11.809 14.910 2 1HA GLY 1 HA2 GLY 1 -5.196 -11.168 12.738 3 2HA GLY 1 HA3 GLY 1 -5.431 -9.472 13.206 4 H THR 2 H THR 2 -3.580 -9.445 15.366 5 HA THR 2 HA THR 2 -1.569 -8.864 15.900 6 HB THR 2 HB THR 2 0.212 -10.215 15.491 7 HG1 THR 2 HG1 THR 2 -1.236 -11.319 13.314 8 1HG2 THR 2 HG22 THR 2 -1.557 -11.150 16.940 9 2HG2 THR 2 HG23 THR 2 -2.243 -12.021 15.549 10 3HG2 THR 2 HG21 THR 2 -0.623 -12.427 16.137 11 H LEU 3 H LEU 3 -1.362 -9.355 12.345 12 HA LEU 3 HA LEU 3 0.452 -7.177 11.830 13 1HB LEU 3 HB2 LEU 3 -1.674 -8.636 10.289 14 2HB LEU 3 HB3 LEU 3 -1.043 -7.181 9.601 15 HG LEU 3 HG LEU 3 1.119 -7.995 9.292 16 1HD1 LEU 3 HD13 LEU 3 0.478 -10.344 11.125 17 2HD1 LEU 3 HD11 LEU 3 1.949 -10.177 10.141 18 3HD1 LEU 3 HD12 LEU 3 1.638 -9.025 11.436 19 1HD2 LEU 3 HD23 LEU 3 -0.636 -9.001 7.807 20 2HD2 LEU 3 HD21 LEU 3 0.805 -10.021 7.967 21 3HD2 LEU 3 HD22 LEU 3 -0.678 -10.425 8.858 22 H ASP 4 H ASP 4 -0.107 -5.146 11.019 23 HA ASP 4 HA ASP 4 -1.180 -3.518 12.922 24 1HB ASP 4 HB2 ASP 4 0.128 -2.549 11.201 25 2HB ASP 4 HB3 ASP 4 -1.033 -2.980 9.946 26 HD1 ASP 4 HD ASP 4 -3.225 -2.036 10.266 27 H THR 5 H THR 5 -3.094 -3.731 13.914 28 HA THR 5 HA THR 5 -5.517 -4.402 12.491 29 HB THR 5 HB THR 5 -6.344 -4.409 14.889 30 HG1 THR 5 HG1 THR 5 -4.963 -2.893 15.793 31 1HG2 THR 5 HG21 THR 5 -5.229 -6.449 13.825 32 2HG2 THR 5 HG22 THR 5 -3.710 -5.944 14.594 33 3HG2 THR 5 HG23 THR 5 -5.100 -6.356 15.591 34 H THR 6 H THR 6 -4.119 -1.528 12.220 35 HA THR 6 HA THR 6 -5.986 0.218 13.553 36 HB THR 6 HB THR 6 -3.895 0.978 11.454 37 HG1 THR 6 HG1 THR 6 -2.452 0.428 12.845 38 1HG2 THR 6 HG21 THR 6 -5.525 2.718 12.209 39 2HG2 THR 6 HG22 THR 6 -5.058 2.394 13.888 40 3HG2 THR 6 HG23 THR 6 -3.866 3.058 12.745 41 H TRP 7 H TRP 7 -7.752 -1.069 12.453 42 HA TRP 7 HA TRP 7 -8.323 -0.378 9.627 43 1HB TRP 7 HB2 TRP 7 -9.702 -2.232 11.593 44 2HB TRP 7 HB3 TRP 7 -10.155 -2.009 9.904 45 HD1 TRP 7 HD1 TRP 7 -8.271 -4.301 11.947 46 HE1 TRP 7 HE1 TRP 7 -6.626 -5.704 10.588 47 HE3 TRP 7 HE3 TRP 7 -8.293 -1.596 7.598 48 HZ2 TRP 7 HZ2 TRP 7 -5.468 -5.654 7.958 49 HZ3 TRP 7 HZ3 TRP 7 -6.803 -2.221 5.728 50 HH2 TRP 7 HH2 TRP 7 -5.488 -4.328 5.834 51 H LYS 8 H LYS 8 -9.589 1.324 9.084 52 HA LYS 8 HA LYS 8 -12.002 1.852 10.675 53 1HB LYS 8 HB2 LYS 8 -9.976 4.006 9.870 54 2HB LYS 8 HB3 LYS 8 -11.578 4.296 10.583 55 1HG LYS 8 HG2 LYS 8 -10.848 3.148 12.667 56 2HG LYS 8 HG3 LYS 8 -9.264 2.866 11.949 57 1HD LYS 8 HD2 LYS 8 -9.142 4.775 13.431 58 2HD LYS 8 HD3 LYS 8 -8.793 5.234 11.764 59 1HE LYS 8 HE2 LYS 8 -10.187 6.910 12.942 60 2HE LYS 8 HE3 LYS 8 -11.005 6.263 11.521 61 1HZ LYS 8 HZ3 LYS 8 -11.461 5.415 14.300 62 2HZ LYS 8 HZ1 LYS 8 -12.449 6.390 13.412 63 3HZ LYS 8 HZ2 LYS 8 -12.241 4.815 12.977 64 H GLU 9 H GLU 9 -13.137 3.809 9.186 65 HA GLU 9 HA GLU 9 -12.569 3.230 6.356 66 1HB GLU 9 HB2 GLU 9 -15.448 3.367 7.215 67 2HB GLU 9 HB3 GLU 9 -14.717 2.867 5.687 68 1HG GLU 9 HG2 GLU 9 -15.476 0.855 6.668 69 2HG GLU 9 HG3 GLU 9 -13.744 0.837 7.020 70 HE2 GLU 9 HE GLU 9 -14.459 0.446 10.362 71 H ALA 10 H ALA 10 -12.559 5.006 5.178 72 HA ALA 10 HA ALA 10 -13.498 7.611 6.276 73 1HB ALA 10 HB3 ALA 10 -11.207 7.360 5.188 74 2HB ALA 10 HB1 ALA 10 -12.030 6.971 3.665 75 3HB ALA 10 HB2 ALA 10 -12.236 8.560 4.429 76 H THR 11 H THR 11 -14.263 8.528 3.522 77 HA THR 11 HA THR 11 -16.268 6.580 2.621 78 HB THR 11 HB THR 11 -18.047 8.271 2.605 79 HG1 THR 11 HG1 THR 11 -16.198 9.838 4.143 80 1HG2 THR 11 HG22 THR 11 -17.965 6.871 4.628 81 2HG2 THR 11 HG23 THR 11 -16.922 8.066 5.431 82 3HG2 THR 11 HG21 THR 11 -18.571 8.497 4.958 83 H LEU 12 H LEU 12 -17.154 7.247 0.460 84 HA LEU 12 HA LEU 12 -15.249 7.465 -1.373 85 1HB LEU 12 HB2 LEU 12 -17.516 6.935 -1.878 86 2HB LEU 12 HB3 LEU 12 -18.051 8.581 -1.735 87 HG LEU 12 HG LEU 12 -15.801 8.047 -3.663 88 1HD1 LEU 12 HD11 LEU 12 -18.701 7.277 -4.200 89 2HD1 LEU 12 HD12 LEU 12 -17.403 7.343 -5.412 90 3HD1 LEU 12 HD13 LEU 12 -17.320 6.162 -4.096 91 1HD2 LEU 12 HD21 LEU 12 -18.328 9.776 -3.751 92 2HD2 LEU 12 HD22 LEU 12 -16.682 10.361 -3.431 93 3HD2 LEU 12 HD23 LEU 12 -17.096 9.705 -5.017 94 HA PRO 13 HA PRO 13 -15.298 12.232 -1.985 95 1HB PRO 13 HB2 PRO 13 -15.942 13.134 0.826 96 2HB PRO 13 HB3 PRO 13 -16.317 13.949 -0.719 97 1HG PRO 13 HG2 PRO 13 -18.264 12.598 0.596 98 2HG PRO 13 HG3 PRO 13 -18.089 12.376 -1.174 99 1HD PRO 13 HD2 PRO 13 -16.979 10.624 1.035 100 2HD PRO 13 HD3 PRO 13 -17.966 10.145 -0.360 101 H GLN 14 H GLN 14 -14.316 10.635 1.033 102 HA GLN 14 HA GLN 14 -11.988 12.296 1.533 103 1HB GLN 14 HB2 GLN 14 -12.636 9.574 2.603 104 2HB GLN 14 HB3 GLN 14 -11.435 10.768 3.189 105 1HG GLN 14 HG2 GLN 14 -13.206 12.411 3.693 106 2HG GLN 14 HG3 GLN 14 -14.454 11.324 3.081 107 1HE2 GLN 14 HE22 GLN 14 -12.824 10.528 6.770 108 2HE2 GLN 14 HE21 GLN 14 -11.895 11.477 5.627 109 H VAL 15 H VAL 15 -12.760 9.351 -0.330 110 HA VAL 15 HA VAL 15 -9.982 8.623 -0.782 111 HB VAL 15 HB VAL 15 -12.273 8.089 -2.686 112 1HG1 VAL 15 HG11 VAL 15 -9.630 6.690 -2.149 113 2HG1 VAL 15 HG12 VAL 15 -10.898 6.097 -3.244 114 3HG1 VAL 15 HG13 VAL 15 -10.070 7.620 -3.590 115 1HG2 VAL 15 HG21 VAL 15 -11.468 6.421 -0.277 116 2HG2 VAL 15 HG22 VAL 15 -13.005 7.288 -0.470 117 3HG2 VAL 15 HG23 VAL 15 -12.605 5.984 -1.583 118 H LYS 16 H LYS 16 -12.463 10.562 -2.535 119 HA LYS 16 HA LYS 16 -10.755 11.486 -4.608 120 1HB LYS 16 HB2 LYS 16 -13.171 12.812 -3.332 121 2HB LYS 16 HB3 LYS 16 -12.302 13.443 -4.738 122 1HG LYS 16 HG2 LYS 16 -12.689 11.337 -5.962 123 2HG LYS 16 HG3 LYS 16 -13.593 10.678 -4.584 124 1HD LYS 16 HD2 LYS 16 -15.305 12.388 -4.805 125 2HD LYS 16 HD3 LYS 16 -14.353 13.265 -6.019 126 1HE LYS 16 HE2 LYS 16 -14.553 11.426 -7.612 127 2HE LYS 16 HE3 LYS 16 -15.383 10.420 -6.416 128 1HZ LYS 16 HZ3 LYS 16 -16.380 12.956 -7.517 129 2HZ LYS 16 HZ1 LYS 16 -16.905 11.448 -7.928 130 3HZ LYS 16 HZ2 LYS 16 -17.162 12.024 -6.405 131 H ALA 17 H ALA 17 -11.327 12.889 -1.350 132 HA ALA 17 HA ALA 17 -9.606 15.074 -1.509 133 1HB ALA 17 HB2 ALA 17 -11.113 14.558 0.408 134 2HB ALA 17 HB3 ALA 17 -9.984 13.304 0.960 135 3HB ALA 17 HB1 ALA 17 -9.468 14.993 0.904 136 H MET 18 H MET 18 -8.742 11.694 -0.625 137 HA MET 18 HA MET 18 -5.865 12.274 -0.481 138 1HB MET 18 HB2 MET 18 -7.491 9.729 -0.435 139 2HB MET 18 HB3 MET 18 -5.717 9.774 -0.346 140 1HG MET 18 HG2 MET 18 -5.739 11.202 1.597 141 2HG MET 18 HG3 MET 18 -7.496 11.367 1.554 142 1HE MET 18 HE2 MET 18 -8.650 8.594 1.168 143 2HE MET 18 HE3 MET 18 -8.775 7.980 2.836 144 3HE MET 18 HE1 MET 18 -9.169 9.681 2.477 145 H LEU 19 H LEU 19 -7.984 11.303 -3.125 146 HA LEU 19 HA LEU 19 -5.726 10.899 -4.943 147 1HB LEU 19 HB2 LEU 19 -8.685 11.215 -5.452 148 2HB LEU 19 HB3 LEU 19 -7.484 10.870 -6.695 149 HG LEU 19 HG LEU 19 -8.001 9.037 -4.313 150 1HD1 LEU 19 HD13 LEU 19 -8.954 8.859 -7.204 151 2HD1 LEU 19 HD11 LEU 19 -9.183 7.617 -5.957 152 3HD1 LEU 19 HD12 LEU 19 -9.974 9.193 -5.787 153 1HD2 LEU 19 HD23 LEU 19 -6.381 8.665 -6.868 154 2HD2 LEU 19 HD21 LEU 19 -5.750 8.700 -5.205 155 3HD2 LEU 19 HD22 LEU 19 -6.789 7.373 -5.722 156 H GLU 20 H GLU 20 -5.014 12.973 -3.845 157 HA GLU 20 HA GLU 20 -5.097 15.180 -5.805 158 1HB GLU 20 HB2 GLU 20 -5.331 15.538 -2.774 159 2HB GLU 20 HB3 GLU 20 -5.026 16.839 -3.931 160 1HG GLU 20 HG2 GLU 20 -7.562 15.113 -3.935 161 2HG GLU 20 HG3 GLU 20 -7.399 16.660 -3.126 162 HE1 GLU 20 HE GLU 20 -7.416 15.144 -6.246 163 H LYS 21 H LYS 21 -3.822 13.613 -2.920 164 HA LYS 21 HA LYS 21 -2.058 12.552 -2.523 165 1HB LYS 21 HB2 LYS 21 -1.027 13.338 -5.255 166 2HB LYS 21 HB3 LYS 21 0.017 12.615 -4.053 167 1HG LYS 21 HG2 LYS 21 -0.825 10.849 -5.353 168 2HG LYS 21 HG3 LYS 21 -1.520 10.729 -3.721 169 1HD LYS 21 HD2 LYS 21 -3.189 10.116 -5.325 170 2HD LYS 21 HD3 LYS 21 -3.625 11.623 -4.549 171 1HE LYS 21 HE2 LYS 21 -4.102 11.704 -6.967 172 2HE LYS 21 HE3 LYS 21 -2.839 12.878 -6.578 173 1HZ LYS 21 HZ3 LYS 21 -2.320 10.178 -7.625 174 2HZ LYS 21 HZ1 LYS 21 -2.389 11.549 -8.544 175 3HZ LYS 21 HZ2 LYS 21 -1.224 11.385 -7.396 176 H ASP 22 H ASP 22 -0.378 12.642 -1.471 177 HA ASP 22 HA ASP 22 0.556 15.278 -0.421 178 1HB ASP 22 HB2 ASP 22 -0.654 13.451 0.990 179 2HB ASP 22 HB3 ASP 22 0.888 12.585 0.959 180 HD2 ASP 22 HD ASP 22 0.335 15.147 3.748 181 H THR 23 H THR 23 2.873 13.854 0.889 182 HA THR 23 HA THR 23 5.007 14.354 -0.682 183 HB THR 23 HB THR 23 6.035 12.429 0.797 184 HG1 THR 23 HG1 THR 23 3.814 11.496 1.091 185 1HG2 THR 23 HG23 THR 23 4.562 14.754 2.100 186 2HG2 THR 23 HG21 THR 23 5.884 13.815 2.813 187 3HG2 THR 23 HG22 THR 23 6.184 14.817 1.381 188 H GLY 24 H GLY 24 5.981 13.517 -2.461 189 1HA GLY 24 HA2 GLY 24 6.812 11.099 -3.154 190 2HA GLY 24 HA3 GLY 24 5.108 10.917 -3.580 191 H LYS 25 H LYS 25 8.151 12.461 -4.354 192 HA LYS 25 HA LYS 25 7.134 14.016 -6.636 193 1HB LYS 25 HB2 LYS 25 9.949 13.297 -5.713 194 2HB LYS 25 HB3 LYS 25 9.553 14.423 -7.016 195 1HG LYS 25 HG2 LYS 25 8.497 15.968 -5.467 196 2HG LYS 25 HG3 LYS 25 8.657 14.815 -4.124 197 1HD LYS 25 HD2 LYS 25 11.089 14.880 -4.265 198 2HD LYS 25 HD3 LYS 25 11.023 15.978 -5.659 199 1HE LYS 25 HE2 LYS 25 10.035 17.742 -4.300 200 2HE LYS 25 HE3 LYS 25 9.826 16.636 -2.929 201 1HZ LYS 25 HZ1 LYS 25 12.414 17.435 -4.056 202 2HZ LYS 25 HZ2 LYS 25 11.746 18.014 -2.663 203 3HZ LYS 25 HZ3 LYS 25 12.169 16.421 -2.773 204 H VAL 26 H VAL 26 7.224 13.262 -8.761 205 HA VAL 26 HA VAL 26 7.423 10.442 -9.258 206 HB VAL 26 HB VAL 26 7.414 12.858 -11.118 207 1HG1 VAL 26 HG11 VAL 26 7.157 9.893 -11.745 208 2HG1 VAL 26 HG12 VAL 26 6.670 11.192 -12.860 209 3HG1 VAL 26 HG13 VAL 26 8.359 11.035 -12.384 210 1HG2 VAL 26 HG23 VAL 26 5.223 10.945 -10.214 211 2HG2 VAL 26 HG21 VAL 26 5.348 12.664 -9.799 212 3HG2 VAL 26 HG22 VAL 26 5.030 12.186 -11.469 213 H SER 27 H SER 27 9.105 9.222 -10.197 214 HA SER 27 HA SER 27 11.588 10.572 -11.084 215 1HB SER 27 HB2 SER 27 11.533 8.404 -8.949 216 2HB SER 27 HB3 SER 27 12.972 9.152 -9.667 217 HG SER 27 HG SER 27 11.474 11.145 -8.819 218 H GLY 28 H GLY 28 10.084 9.794 -12.953 219 1HA GLY 28 HA2 GLY 28 9.834 8.323 -14.727 220 2HA GLY 28 HA3 GLY 28 11.173 7.348 -14.078 221 H ASP 29 H ASP 29 10.117 5.277 -14.117 222 HA ASP 29 HA ASP 29 7.463 4.973 -12.862 223 1HB ASP 29 HB2 ASP 29 8.209 3.627 -14.850 224 2HB ASP 29 HB3 ASP 29 9.342 2.764 -13.798 225 HD1 ASP 29 HD ASP 29 8.272 1.767 -11.892 226 H THR 30 H THR 30 8.856 6.207 -10.996 227 HA THR 30 HA THR 30 8.989 4.393 -8.786 228 HB THR 30 HB THR 30 11.538 5.665 -9.892 229 HG1 THR 30 HG1 THR 30 10.815 3.396 -10.275 230 1HG2 THR 30 HG22 THR 30 11.169 4.667 -7.067 231 2HG2 THR 30 HG23 THR 30 12.702 5.079 -7.853 232 3HG2 THR 30 HG21 THR 30 11.499 6.344 -7.561 233 H VAL 31 H VAL 31 8.944 5.733 -6.817 234 HA VAL 31 HA VAL 31 8.482 8.639 -7.306 235 HB VAL 31 HB VAL 31 6.831 6.752 -5.581 236 1HG1 VAL 31 HG13 VAL 31 6.703 9.785 -5.865 237 2HG1 VAL 31 HG11 VAL 31 5.492 8.801 -5.044 238 3HG1 VAL 31 HG12 VAL 31 7.128 8.892 -4.385 239 1HG2 VAL 31 HG21 VAL 31 6.144 8.461 -8.015 240 2HG2 VAL 31 HG22 VAL 31 6.197 6.686 -7.949 241 3HG2 VAL 31 HG23 VAL 31 4.967 7.565 -7.035 242 H THR 32 H THR 32 9.319 9.983 -5.732 243 HA THR 32 HA THR 32 11.151 8.730 -3.750 244 HB THR 32 HB THR 32 11.658 11.088 -5.620 245 HG1 THR 32 HG1 THR 32 12.258 9.544 -6.859 246 1HG2 THR 32 HG23 THR 32 13.436 9.832 -3.478 247 2HG2 THR 32 HG21 THR 32 13.985 10.976 -4.720 248 3HG2 THR 32 HG22 THR 32 12.806 11.491 -3.504 249 H TYR 33 H TYR 33 10.936 9.545 -1.731 250 HA TYR 33 HA TYR 33 8.999 11.785 -1.379 251 1HB TYR 33 HB2 TYR 33 10.240 9.937 0.676 252 2HB TYR 33 HB3 TYR 33 8.926 11.101 0.908 253 HD1 TYR 33 HD1 TYR 33 6.778 10.772 -0.541 254 HD2 TYR 33 HD2 TYR 33 9.785 7.747 -0.113 255 HE1 TYR 33 HE1 TYR 33 5.108 9.029 -1.125 256 HE2 TYR 33 HE2 TYR 33 8.107 5.994 -0.560 257 HH TYR 33 HH TYR 33 5.858 5.566 -0.919 258 H SER 34 H SER 34 9.543 13.369 0.403 259 HA SER 34 HA SER 34 12.369 13.945 0.901 260 1HB SER 34 HB2 SER 34 10.704 15.903 -0.740 261 2HB SER 34 HB3 SER 34 12.355 16.144 -0.152 262 HG SER 34 HG SER 34 12.446 13.894 -1.472 263 H GLY 35 H GLY 35 10.864 13.295 2.911 264 1HA GLY 35 HA2 GLY 35 10.697 15.639 4.503 265 2HA GLY 35 HA3 GLY 35 9.061 15.087 4.060 266 H LYS 36 H LYS 36 9.862 14.974 6.736 267 HA LYS 36 HA LYS 36 10.906 12.334 7.362 268 1HB LYS 36 HB2 LYS 36 9.491 14.302 9.189 269 2HB LYS 36 HB3 LYS 36 10.448 12.913 9.680 270 1HG LYS 36 HG2 LYS 36 11.447 15.446 8.304 271 2HG LYS 36 HG3 LYS 36 11.731 14.963 9.967 272 1HD LYS 36 HD2 LYS 36 12.828 13.609 7.455 273 2HD LYS 36 HD3 LYS 36 13.726 14.595 8.601 274 1HE LYS 36 HE2 LYS 36 12.473 11.875 9.203 275 2HE LYS 36 HE3 LYS 36 14.186 12.216 8.951 276 1HZ LYS 36 HZ3 LYS 36 14.134 13.607 10.891 277 2HZ LYS 36 HZ1 LYS 36 12.535 13.278 11.130 278 3HZ LYS 36 HZ2 LYS 36 13.648 12.072 11.249 279 H THR 37 H THR 37 7.625 13.902 7.579 280 HA THR 37 HA THR 37 6.347 11.322 8.096 281 HB THR 37 HB THR 37 4.291 12.834 7.761 282 HG1 THR 37 HG1 THR 37 5.429 14.417 6.566 283 1HG2 THR 37 HG23 THR 37 5.269 12.157 9.916 284 2HG2 THR 37 HG21 THR 37 6.390 13.533 9.865 285 3HG2 THR 37 HG22 THR 37 4.637 13.823 9.996 286 H VAL 38 H VAL 38 6.792 10.028 6.439 287 HA VAL 38 HA VAL 38 6.305 10.856 3.615 288 HB VAL 38 HB VAL 38 7.396 8.342 4.916 289 1HG1 VAL 38 HG13 VAL 38 6.637 8.827 2.012 290 2HG1 VAL 38 HG11 VAL 38 7.764 7.556 2.541 291 3HG1 VAL 38 HG12 VAL 38 6.080 7.513 3.061 292 1HG2 VAL 38 HG23 VAL 38 8.853 10.378 4.633 293 2HG2 VAL 38 HG21 VAL 38 9.407 8.977 3.687 294 3HG2 VAL 38 HG22 VAL 38 8.540 10.313 2.904 295 H HIS 39 H HIS 39 4.154 11.210 3.337 296 HA HIS 39 HA HIS 39 2.207 9.267 4.454 297 1HB HIS 39 HB2 HIS 39 1.817 11.657 4.864 298 2HB HIS 39 HB3 HIS 39 1.832 11.966 3.126 299 HD1 HIS 39 HD1 HIS 39 -0.761 12.891 3.519 300 HD2 HIS 39 HD2 HIS 39 -0.033 8.806 4.301 301 HE1 HIS 39 HE1 HIS 39 -3.053 11.741 3.701 302 HE2 HIS 39 HE2 HIS 39 -2.548 9.244 4.207 303 H VAL 40 H VAL 40 1.712 7.596 3.141 304 HA VAL 40 HA VAL 40 1.992 7.885 0.180 305 HB VAL 40 HB VAL 40 2.116 5.332 1.826 306 1HG1 VAL 40 HG11 VAL 40 2.947 6.000 -1.017 307 2HG1 VAL 40 HG12 VAL 40 3.179 4.437 -0.206 308 3HG1 VAL 40 HG13 VAL 40 1.544 5.028 -0.532 309 1HG2 VAL 40 HG23 VAL 40 4.355 7.201 1.021 310 2HG2 VAL 40 HG21 VAL 40 3.961 6.577 2.636 311 3HG2 VAL 40 HG22 VAL 40 4.614 5.483 1.415 312 H VAL 41 H VAL 41 0.082 7.828 -0.898 313 HA VAL 41 HA VAL 41 -2.391 6.839 0.429 314 HB VAL 41 HB VAL 41 -1.921 8.343 -2.181 315 1HG1 VAL 41 HG13 VAL 41 -4.508 7.608 -0.745 316 2HG1 VAL 41 HG11 VAL 41 -4.376 8.680 -2.158 317 3HG1 VAL 41 HG12 VAL 41 -3.965 6.969 -2.312 318 1HG2 VAL 41 HG21 VAL 41 -2.990 9.290 0.515 319 2HG2 VAL 41 HG22 VAL 41 -1.440 9.759 -0.214 320 3HG2 VAL 41 HG23 VAL 41 -2.956 10.251 -0.977 321 H ALA 42 H ALA 42 -2.737 4.660 0.159 322 HA ALA 42 HA ALA 42 -1.911 3.328 -2.405 323 1HB ALA 42 HB3 ALA 42 -1.958 2.264 0.433 324 2HB ALA 42 HB1 ALA 42 -1.670 1.292 -1.030 325 3HB ALA 42 HB2 ALA 42 -0.540 2.583 -0.578 326 H ALA 43 H ALA 43 -3.815 3.542 -3.535 327 HA ALA 43 HA ALA 43 -6.383 2.745 -2.303 328 1HB ALA 43 HB2 ALA 43 -5.701 4.005 -4.973 329 2HB ALA 43 HB3 ALA 43 -7.326 3.555 -4.426 330 3HB ALA 43 HB1 ALA 43 -6.411 4.801 -3.555 331 H ALA 44 H ALA 44 -6.871 0.576 -2.402 332 HA ALA 44 HA ALA 44 -5.439 -1.143 -4.361 333 1HB ALA 44 HB3 ALA 44 -5.577 -1.827 -1.994 334 2HB ALA 44 HB1 ALA 44 -7.348 -1.877 -2.147 335 3HB ALA 44 HB2 ALA 44 -6.353 -2.992 -3.090 336 H VAL 45 H VAL 45 -6.319 -1.317 -6.328 337 HA VAL 45 HA VAL 45 -7.845 -1.243 -8.026 338 HB VAL 45 HB VAL 45 -8.903 -3.604 -6.441 339 1HG1 VAL 45 HG12 VAL 45 -10.099 -3.101 -8.610 340 2HG1 VAL 45 HG13 VAL 45 -8.539 -3.116 -9.438 341 3HG1 VAL 45 HG11 VAL 45 -9.168 -4.602 -8.707 342 1HG2 VAL 45 HG22 VAL 45 -6.475 -3.692 -6.388 343 2HG2 VAL 45 HG23 VAL 45 -7.146 -4.947 -7.436 344 3HG2 VAL 45 HG21 VAL 45 -6.415 -3.498 -8.162 345 H LEU 46 H LEU 46 -8.955 0.799 -7.542 346 HA LEU 46 HA LEU 46 -11.413 0.666 -5.976 347 1HB LEU 46 HB2 LEU 46 -10.417 2.813 -7.895 348 2HB LEU 46 HB3 LEU 46 -11.758 2.988 -6.767 349 HG LEU 46 HG LEU 46 -8.822 2.588 -6.040 350 1HD1 LEU 46 HD13 LEU 46 -10.707 4.978 -5.796 351 2HD1 LEU 46 HD11 LEU 46 -9.035 4.930 -5.214 352 3HD1 LEU 46 HD12 LEU 46 -9.367 4.814 -6.950 353 1HD2 LEU 46 HD23 LEU 46 -11.279 2.934 -4.264 354 2HD2 LEU 46 HD21 LEU 46 -10.174 1.540 -4.295 355 3HD2 LEU 46 HD22 LEU 46 -9.607 3.101 -3.700 356 HA PRO 47 HA PRO 47 -13.948 -1.110 -9.048 357 1HB PRO 47 HB2 PRO 47 -16.405 0.124 -8.678 358 2HB PRO 47 HB3 PRO 47 -15.706 -1.152 -7.640 359 1HG PRO 47 HG2 PRO 47 -15.593 1.842 -7.214 360 2HG PRO 47 HG3 PRO 47 -16.044 0.586 -6.021 361 1HD PRO 47 HD2 PRO 47 -13.561 1.608 -6.060 362 2HD PRO 47 HD3 PRO 47 -13.771 -0.154 -5.840 363 H GLY 48 H GLY 48 -13.357 -0.678 -11.051 364 1HA GLY 48 HA2 GLY 48 -14.305 0.713 -13.064 365 2HA GLY 48 HA3 GLY 48 -13.499 2.046 -12.206 366 H PHE 49 H PHE 49 -11.353 0.592 -11.052 367 HA PHE 49 HA PHE 49 -9.597 0.282 -13.388 368 1HB PHE 49 HB2 PHE 49 -9.082 0.226 -10.394 369 2HB PHE 49 HB3 PHE 49 -7.842 -0.011 -11.614 370 HD1 PHE 49 HD2 PHE 49 -7.116 1.840 -13.098 371 HD2 PHE 49 HD1 PHE 49 -10.177 2.458 -10.132 372 HE1 PHE 49 HE2 PHE 49 -6.861 4.295 -13.338 373 HE2 PHE 49 HE1 PHE 49 -9.867 4.913 -10.321 374 HZ PHE 49 HZ PHE 49 -8.204 5.834 -11.923 375 HA PRO 50 HA PRO 50 -10.118 -4.176 -13.082 376 1HB PRO 50 HB2 PRO 50 -8.130 -5.060 -14.719 377 2HB PRO 50 HB3 PRO 50 -9.526 -4.139 -15.352 378 1HG PRO 50 HG2 PRO 50 -6.791 -3.057 -14.599 379 2HG PRO 50 HG3 PRO 50 -7.670 -2.812 -16.139 380 1HD PRO 50 HD2 PRO 50 -7.761 -0.986 -14.114 381 2HD PRO 50 HD3 PRO 50 -9.204 -1.316 -15.120 382 H PHE 51 H PHE 51 -8.876 -6.093 -12.392 383 HA PHE 51 HA PHE 51 -7.119 -5.568 -10.127 384 1HB PHE 51 HB2 PHE 51 -8.227 -8.027 -11.545 385 2HB PHE 51 HB3 PHE 51 -6.923 -8.213 -10.412 386 HD1 PHE 51 HD2 PHE 51 -10.364 -6.686 -10.607 387 HD2 PHE 51 HD1 PHE 51 -7.386 -8.672 -8.182 388 HE1 PHE 51 HE2 PHE 51 -12.050 -7.078 -8.835 389 HE2 PHE 51 HE1 PHE 51 -9.103 -9.072 -6.431 390 HZ PHE 51 HZ PHE 51 -11.403 -8.271 -6.756 391 HA PRO 52 HA PRO 52 -5.583 -6.693 -9.052 392 1HB PRO 52 HB2 PRO 52 -3.544 -8.343 -8.534 393 2HB PRO 52 HB3 PRO 52 -4.875 -8.918 -9.558 394 1HG PRO 52 HG2 PRO 52 -2.130 -8.082 -10.412 395 2HG PRO 52 HG3 PRO 52 -3.223 -9.312 -11.104 396 1HD PRO 52 HD2 PRO 52 -2.898 -6.533 -11.919 397 2HD PRO 52 HD3 PRO 52 -3.951 -7.782 -12.628 398 H SER 53 H SER 53 -4.680 -4.195 -10.073 399 HA SER 53 HA SER 53 -1.926 -3.759 -9.185 400 1HB SER 53 HB2 SER 53 -2.494 -1.488 -10.232 401 2HB SER 53 HB3 SER 53 -2.664 -2.877 -11.320 402 HG SER 53 HG SER 53 -4.812 -1.878 -9.752 403 H PHE 54 H PHE 54 -1.307 -2.867 -7.251 404 HA PHE 54 HA PHE 54 -3.257 -1.480 -5.508 405 1HB PHE 54 HB2 PHE 54 -0.188 -1.621 -5.468 406 2HB PHE 54 HB3 PHE 54 -1.163 -0.746 -4.323 407 HD1 PHE 54 HD2 PHE 54 -3.206 -2.306 -3.301 408 HD2 PHE 54 HD1 PHE 54 0.788 -3.541 -4.441 409 HE1 PHE 54 HE2 PHE 54 -3.085 -3.816 -1.333 410 HE2 PHE 54 HE1 PHE 54 0.940 -4.881 -2.381 411 HZ PHE 54 HZ PHE 54 -0.962 -4.903 -0.762 412 H GLU 55 H GLU 55 -3.788 0.680 -5.973 413 HA GLU 55 HA GLU 55 -2.206 2.091 -8.039 414 1HB GLU 55 HB2 GLU 55 -4.768 3.101 -6.856 415 2HB GLU 55 HB3 GLU 55 -4.019 3.348 -8.448 416 1HG GLU 55 HG2 GLU 55 -4.560 0.992 -9.060 417 2HG GLU 55 HG3 GLU 55 -5.335 0.751 -7.488 418 HE1 GLU 55 HE GLU 55 -7.168 3.236 -10.064 419 H VAL 56 H VAL 56 -0.599 3.518 -7.204 420 HA VAL 56 HA VAL 56 -0.897 4.271 -4.328 421 HB VAL 56 HB VAL 56 1.741 3.535 -5.545 422 1HG1 VAL 56 HG13 VAL 56 1.696 5.012 -3.503 423 2HG1 VAL 56 HG11 VAL 56 0.788 3.751 -2.655 424 3HG1 VAL 56 HG12 VAL 56 2.446 3.437 -3.205 425 1HG2 VAL 56 HG23 VAL 56 -0.190 1.788 -3.946 426 2HG2 VAL 56 HG21 VAL 56 0.436 1.465 -5.578 427 3HG2 VAL 56 HG22 VAL 56 1.527 1.406 -4.193 428 H HIS 57 H HIS 57 -1.012 6.344 -4.117 429 HA HIS 57 HA HIS 57 -1.301 8.453 -4.805 430 1HB HIS 57 HB2 HIS 57 0.984 9.716 -4.821 431 2HB HIS 57 HB3 HIS 57 0.349 8.923 -3.394 432 HD1 HIS 57 HD1 HIS 57 2.288 6.764 -5.913 433 HD2 HIS 57 HD2 HIS 57 2.658 8.775 -2.219 434 HE1 HIS 57 HE1 HIS 57 4.462 5.930 -4.837 435 HE2 HIS 57 HE2 HIS 57 4.651 7.129 -2.581 436 H ASP 58 H ASP 58 1.570 8.707 -6.784 437 HA ASP 58 HA ASP 58 -0.163 9.703 -8.935 438 1HB ASP 58 HB2 ASP 58 1.887 10.919 -8.263 439 2HB ASP 58 HB3 ASP 58 2.870 9.530 -8.772 440 HD1 ASP 58 HD ASP 58 0.982 11.688 -11.611 441 H LYS 59 H LYS 59 1.202 6.619 -8.212 442 HA LYS 59 HA LYS 59 1.207 5.792 -11.093 443 1HB LYS 59 HB2 LYS 59 3.049 4.841 -8.893 444 2HB LYS 59 HB3 LYS 59 3.175 4.433 -10.612 445 1HG LYS 59 HG2 LYS 59 3.747 7.140 -9.345 446 2HG LYS 59 HG3 LYS 59 4.915 5.964 -9.955 447 1HD LYS 59 HD2 LYS 59 3.880 6.186 -12.252 448 2HD LYS 59 HD3 LYS 59 2.879 7.503 -11.613 449 1HE LYS 59 HE2 LYS 59 5.047 8.619 -10.834 450 2HE LYS 59 HE3 LYS 59 5.916 7.393 -11.767 451 1HZ LYS 59 HZ2 LYS 59 4.647 8.149 -13.704 452 2HZ LYS 59 HZ3 LYS 59 3.968 9.341 -12.780 453 3HZ LYS 59 HZ1 LYS 59 5.591 9.338 -13.065 454 H LYS 60 H LYS 60 1.675 3.143 -10.742 455 HA LYS 60 HA LYS 60 -0.175 2.099 -8.716 456 1HB LYS 60 HB2 LYS 60 -0.180 1.127 -11.600 457 2HB LYS 60 HB3 LYS 60 -1.238 0.616 -10.272 458 1HG LYS 60 HG2 LYS 60 -2.104 3.021 -10.193 459 2HG LYS 60 HG3 LYS 60 -1.198 3.312 -11.687 460 1HD LYS 60 HD2 LYS 60 -2.453 1.379 -12.741 461 2HD LYS 60 HD3 LYS 60 -3.470 1.311 -11.294 462 1HE LYS 60 HE2 LYS 60 -3.146 3.686 -13.195 463 2HE LYS 60 HE3 LYS 60 -4.553 2.619 -13.080 464 1HZ LYS 60 HZ3 LYS 60 -3.582 4.386 -10.941 465 2HZ LYS 60 HZ1 LYS 60 -4.875 4.672 -11.915 466 3HZ LYS 60 HZ2 LYS 60 -4.915 3.416 -10.855 467 H ASN 61 H ASN 61 0.789 0.513 -7.643 468 HA ASN 61 HA ASN 61 2.524 -0.739 -6.839 469 1HB ASN 61 HB2 ASN 61 2.512 -1.803 -9.689 470 2HB ASN 61 HB3 ASN 61 2.968 -2.694 -8.270 471 1HD2 ASN 61 HD21 ASN 61 -0.873 -1.413 -8.793 472 2HD2 ASN 61 HD22 ASN 61 0.323 -1.310 -10.059 473 HA PRO 62 HA PRO 62 5.952 1.601 -9.119 474 1HB PRO 62 HB2 PRO 62 6.322 3.892 -7.706 475 2HB PRO 62 HB3 PRO 62 4.985 3.722 -8.872 476 1HG PRO 62 HG2 PRO 62 4.883 3.212 -5.861 477 2HG PRO 62 HG3 PRO 62 3.852 4.344 -6.777 478 1HD PRO 62 HD2 PRO 62 3.025 1.800 -6.256 479 2HD PRO 62 HD3 PRO 62 2.723 2.597 -7.825 480 H THR 63 H THR 63 8.055 2.351 -8.199 481 HA THR 63 HA THR 63 8.873 0.788 -5.817 482 HB THR 63 HB THR 63 10.310 1.932 -8.229 483 HG1 THR 63 HG1 THR 63 9.236 -0.083 -8.338 484 1HG2 THR 63 HG22 THR 63 11.424 0.959 -5.606 485 2HG2 THR 63 HG23 THR 63 12.325 0.763 -7.133 486 3HG2 THR 63 HG21 THR 63 11.881 2.391 -6.575 487 H LEU 64 H LEU 64 9.701 1.858 -4.037 488 HA LEU 64 HA LEU 64 9.132 4.788 -3.851 489 1HB LEU 64 HB2 LEU 64 8.814 2.397 -2.042 490 2HB LEU 64 HB3 LEU 64 9.060 3.990 -1.338 491 HG LEU 64 HG LEU 64 7.134 4.890 -2.462 492 1HD1 LEU 64 HD13 LEU 64 6.850 2.159 -3.736 493 2HD1 LEU 64 HD11 LEU 64 5.488 3.285 -3.567 494 3HD1 LEU 64 HD12 LEU 64 6.897 3.756 -4.518 495 1HD2 LEU 64 HD23 LEU 64 6.882 3.735 -0.242 496 2HD2 LEU 64 HD21 LEU 64 5.406 3.551 -1.214 497 3HD2 LEU 64 HD22 LEU 64 6.554 2.210 -1.085 498 H GLU 65 H GLU 65 10.839 6.091 -3.619 499 HA GLU 65 HA GLU 65 13.331 5.082 -2.281 500 1HB GLU 65 HB2 GLU 65 13.015 7.605 -3.925 501 2HB GLU 65 HB3 GLU 65 14.504 6.885 -3.312 502 1HG GLU 65 HG2 GLU 65 12.619 5.698 -5.397 503 2HG GLU 65 HG3 GLU 65 14.187 6.442 -5.719 504 HE1 GLU 65 HE GLU 65 15.930 3.680 -4.281 505 H ILE 66 H ILE 66 13.344 5.465 -0.174 506 HA ILE 66 HA ILE 66 11.832 7.760 0.964 507 HB ILE 66 HB ILE 66 12.425 4.948 1.855 508 1HG1 ILE 66 HG12 ILE 66 9.809 6.475 1.745 509 2HG1 ILE 66 HG13 ILE 66 10.424 5.441 0.434 510 1HG2 ILE 66 HG22 ILE 66 12.888 6.386 3.848 511 2HG2 ILE 66 HG23 ILE 66 11.315 7.181 3.623 512 3HG2 ILE 66 HG21 ILE 66 11.410 5.470 4.073 513 1HD1 ILE 66 HD13 ILE 66 10.459 3.535 2.108 514 2HD1 ILE 66 HD11 ILE 66 9.554 4.591 3.207 515 3HD1 ILE 66 HD12 ILE 66 8.855 4.143 1.648 516 HA PRO 67 HA PRO 67 15.908 8.964 2.561 517 1HB PRO 67 HB2 PRO 67 15.194 11.114 4.062 518 2HB PRO 67 HB3 PRO 67 15.234 11.147 2.276 519 1HG PRO 67 HG2 PRO 67 12.838 10.774 4.068 520 2HG PRO 67 HG3 PRO 67 12.981 11.822 2.634 521 1HD PRO 67 HD2 PRO 67 11.838 9.322 2.583 522 2HD PRO 67 HD3 PRO 67 12.709 10.002 1.172 523 H ALA 68 H ALA 68 16.739 7.626 4.083 524 HA ALA 68 HA ALA 68 15.378 6.317 6.143 525 1HB ALA 68 HB3 ALA 68 17.591 5.623 5.322 526 2HB ALA 68 HB1 ALA 68 18.322 7.099 5.994 527 3HB ALA 68 HB2 ALA 68 17.634 5.870 7.079 528 H GLY 69 H GLY 69 14.782 6.795 8.177 529 1HA GLY 69 HA2 GLY 69 15.000 8.044 10.249 530 2HA GLY 69 HA3 GLY 69 15.462 9.484 9.332 531 H ALA 70 H ALA 70 13.393 8.769 7.151 532 HA ALA 70 HA ALA 70 11.168 10.200 8.213 533 1HB ALA 70 HB1 ALA 70 11.485 8.368 5.793 534 2HB ALA 70 HB2 ALA 70 10.045 9.329 6.128 535 3HB ALA 70 HB3 ALA 70 11.592 10.148 5.830 536 H THR 71 H THR 71 9.023 9.461 8.499 537 HA THR 71 HA THR 71 8.677 6.691 9.565 538 HB THR 71 HB THR 71 7.178 9.269 10.213 539 HG1 THR 71 HG1 THR 71 9.366 8.867 11.096 540 1HG2 THR 71 HG23 THR 71 6.888 6.433 11.310 541 2HG2 THR 71 HG21 THR 71 6.077 7.878 11.953 542 3HG2 THR 71 HG22 THR 71 5.695 7.304 10.321 543 H VAL 72 H VAL 72 7.221 5.474 8.405 544 HA VAL 72 HA VAL 72 6.167 6.690 5.914 545 HB VAL 72 HB VAL 72 6.609 3.766 6.569 546 1HG1 VAL 72 HG13 VAL 72 5.024 4.373 4.670 547 2HG1 VAL 72 HG11 VAL 72 6.341 5.279 3.919 548 3HG1 VAL 72 HG12 VAL 72 6.478 3.521 4.123 549 1HG2 VAL 72 HG22 VAL 72 8.456 5.709 5.118 550 2HG2 VAL 72 HG23 VAL 72 8.779 4.932 6.678 551 3HG2 VAL 72 HG21 VAL 72 8.658 3.941 5.228 552 H ASP 73 H ASP 73 4.189 7.467 6.327 553 HA ASP 73 HA ASP 73 2.128 5.887 7.787 554 1HB ASP 73 HB2 ASP 73 2.350 8.735 6.813 555 2HB ASP 73 HB3 ASP 73 0.754 7.986 6.930 556 HD1 ASP 73 HD ASP 73 0.850 7.346 10.303 557 H VAL 74 H VAL 74 1.815 4.114 6.485 558 HA VAL 74 HA VAL 74 1.186 4.530 3.619 559 HB VAL 74 HB VAL 74 1.168 2.012 5.285 560 1HG1 VAL 74 HG11 VAL 74 0.998 2.499 2.265 561 2HG1 VAL 74 HG12 VAL 74 1.173 0.906 3.015 562 3HG1 VAL 74 HG13 VAL 74 -0.299 1.847 3.288 563 1HG2 VAL 74 HG23 VAL 74 3.286 3.119 3.413 564 2HG2 VAL 74 HG21 VAL 74 3.433 2.808 5.166 565 3HG2 VAL 74 HG22 VAL 74 3.255 1.458 4.044 566 H THR 75 H THR 75 -0.692 5.645 3.479 567 HA THR 75 HA THR 75 -3.062 4.929 5.084 568 HB THR 75 HB THR 75 -2.625 7.030 2.947 569 HG1 THR 75 HG1 THR 75 -2.989 7.368 5.734 570 1HG2 THR 75 HG23 THR 75 -4.982 6.441 4.804 571 2HG2 THR 75 HG21 THR 75 -4.743 7.973 3.943 572 3HG2 THR 75 HG22 THR 75 -4.997 6.476 3.030 573 H PHE 76 H PHE 76 -3.727 2.907 4.421 574 HA PHE 76 HA PHE 76 -3.998 2.298 1.569 575 1HB PHE 76 HB2 PHE 76 -5.022 1.048 4.135 576 2HB PHE 76 HB3 PHE 76 -5.783 0.587 2.648 577 HD1 PHE 76 HD2 PHE 76 -3.483 0.389 0.719 578 HD2 PHE 76 HD1 PHE 76 -4.249 -1.217 4.647 579 HE1 PHE 76 HE2 PHE 76 -3.788 -1.815 -0.251 580 HE2 PHE 76 HE1 PHE 76 -4.442 -3.469 3.671 581 HZ PHE 76 HZ PHE 76 -4.325 -3.765 1.192 582 H ILE 77 H ILE 77 -5.911 2.154 0.428 583 HA ILE 77 HA ILE 77 -8.483 2.750 1.748 584 HB ILE 77 HB ILE 77 -7.684 4.034 -0.900 585 1HG1 ILE 77 HG12 ILE 77 -9.097 5.869 0.692 586 2HG1 ILE 77 HG13 ILE 77 -8.114 5.032 1.883 587 1HG2 ILE 77 HG23 ILE 77 -10.406 3.732 0.425 588 2HG2 ILE 77 HG21 ILE 77 -10.062 4.700 -1.025 589 3HG2 ILE 77 HG22 ILE 77 -9.916 2.958 -1.095 590 1HD1 ILE 77 HD11 ILE 77 -6.107 5.434 0.387 591 2HD1 ILE 77 HD12 ILE 77 -7.185 6.422 -0.658 592 3HD1 ILE 77 HD13 ILE 77 -6.860 6.906 1.021 593 H ASN 78 H ASN 78 -8.880 0.532 1.782 594 HA ASN 78 HA ASN 78 -8.937 -0.733 -0.925 595 1HB ASN 78 HB2 ASN 78 -7.281 -2.052 0.074 596 2HB ASN 78 HB3 ASN 78 -8.134 -2.273 1.577 597 1HD2 ASN 78 HD21 ASN 78 -9.926 -5.047 0.168 598 2HD2 ASN 78 HD22 ASN 78 -9.028 -4.414 1.545 599 H THR 79 H THR 79 -10.862 -0.723 -1.573 600 HA THR 79 HA THR 79 -12.998 -1.944 -0.019 601 HB THR 79 HB THR 79 -13.179 0.937 -0.978 602 HG1 THR 79 HG1 THR 79 -12.479 -0.154 1.274 603 1HG2 THR 79 HG22 THR 79 -15.384 -0.906 0.002 604 2HG2 THR 79 HG23 THR 79 -15.496 0.870 0.027 605 3HG2 THR 79 HG21 THR 79 -15.372 0.029 -1.508 606 H ASN 80 H ASN 80 -11.375 -2.937 -1.936 607 HA ASN 80 HA ASN 80 -12.665 -2.805 -4.558 608 1HB ASN 80 HB2 ASN 80 -10.253 -3.370 -4.298 609 2HB ASN 80 HB3 ASN 80 -10.720 -4.756 -3.298 610 1HD2 ASN 80 HD22 ASN 80 -11.486 -4.900 -7.364 611 2HD2 ASN 80 HD21 ASN 80 -11.396 -3.337 -6.548 612 H LYS 81 H LYS 81 -14.732 -2.958 -3.435 613 HA LYS 81 HA LYS 81 -16.122 -4.334 -1.898 614 1HB LYS 81 HB2 LYS 81 -16.963 -4.308 -4.817 615 2HB LYS 81 HB3 LYS 81 -18.020 -4.502 -3.407 616 1HG LYS 81 HG2 LYS 81 -17.055 -2.227 -2.605 617 2HG LYS 81 HG3 LYS 81 -16.458 -2.026 -4.251 618 1HD LYS 81 HD2 LYS 81 -19.363 -2.465 -3.391 619 2HD LYS 81 HD3 LYS 81 -18.668 -0.948 -3.959 620 1HE LYS 81 HE2 LYS 81 -19.068 -3.506 -5.587 621 2HE LYS 81 HE3 LYS 81 -19.997 -2.009 -5.712 622 1HZ LYS 81 HZ3 LYS 81 -18.001 -0.894 -6.410 623 2HZ LYS 81 HZ1 LYS 81 -17.145 -2.301 -6.313 624 3HZ LYS 81 HZ2 LYS 81 -18.359 -2.152 -7.415 625 H GLY 82 H GLY 82 -15.111 -6.255 -1.196 626 1HA GLY 82 HA2 GLY 82 -16.177 -8.606 -1.216 627 2HA GLY 82 HA3 GLY 82 -15.496 -8.721 -2.843 628 H PHE 83 H PHE 83 -13.039 -7.350 -2.453 629 HA PHE 83 HA PHE 83 -11.608 -9.597 -1.115 630 1HB PHE 83 HB2 PHE 83 -10.822 -7.550 -3.174 631 2HB PHE 83 HB3 PHE 83 -9.663 -8.616 -2.387 632 HD1 PHE 83 HD1 PHE 83 -12.718 -8.591 -4.545 633 HD2 PHE 83 HD2 PHE 83 -9.462 -10.950 -2.979 634 HE1 PHE 83 HE1 PHE 83 -13.287 -10.430 -6.108 635 HE2 PHE 83 HE2 PHE 83 -10.011 -12.763 -4.579 636 HZ PHE 83 HZ PHE 83 -11.915 -12.502 -6.151 637 H GLY 84 H GLY 84 -11.117 -9.247 0.969 638 1HA GLY 84 HA2 GLY 84 -10.445 -6.681 2.158 639 2HA GLY 84 HA3 GLY 84 -10.275 -8.282 2.854 640 H HIS 85 H HIS 85 -8.778 -6.619 0.003 641 HA HIS 85 HA HIS 85 -6.318 -7.953 0.055 642 1HB HIS 85 HB2 HIS 85 -6.789 -5.047 -0.680 643 2HB HIS 85 HB3 HIS 85 -5.372 -5.993 -1.101 644 HD2 HIS 85 HD2 HIS 85 -8.931 -5.306 -2.128 645 HE1 HIS 85 HE1 HIS 85 -7.327 -7.778 -5.162 646 HE2 HIS 85 HE2 HIS 85 -9.300 -6.331 -4.508 647 H SER 86 H SER 86 -4.363 -7.686 1.042 648 HA SER 86 HA SER 86 -4.247 -5.967 3.468 649 1HB SER 86 HB2 SER 86 -2.699 -7.596 4.278 650 2HB SER 86 HB3 SER 86 -4.087 -8.495 3.679 651 HG SER 86 HG SER 86 -1.482 -8.312 2.719 652 H PHE 87 H PHE 87 -2.002 -5.058 3.835 653 HA PHE 87 HA PHE 87 -0.369 -4.795 1.366 654 1HB PHE 87 HB2 PHE 87 -1.708 -2.693 2.018 655 2HB PHE 87 HB3 PHE 87 -0.654 -2.546 3.383 656 HD1 PHE 87 HD1 PHE 87 1.989 -2.587 2.765 657 HD2 PHE 87 HD2 PHE 87 -1.146 -1.750 -0.076 658 HE1 PHE 87 HE1 PHE 87 3.519 -1.105 1.504 659 HE2 PHE 87 HE2 PHE 87 0.442 -0.419 -1.423 660 HZ PHE 87 HZ PHE 87 2.754 -0.025 -0.599 661 H ASP 88 H ASP 88 1.575 -5.856 1.950 662 HA ASP 88 HA ASP 88 2.451 -5.714 4.817 663 1HB ASP 88 HB2 ASP 88 2.317 -8.134 2.979 664 2HB ASP 88 HB3 ASP 88 3.018 -8.088 4.614 665 HD1 ASP 88 HD ASP 88 -0.042 -7.755 6.221 666 H ILE 89 H ILE 89 4.519 -5.246 5.141 667 HA ILE 89 HA ILE 89 6.282 -4.921 2.796 668 HB ILE 89 HB ILE 89 6.426 -3.557 5.511 669 1HG1 ILE 89 HG12 ILE 89 5.345 -2.574 2.836 670 2HG1 ILE 89 HG13 ILE 89 4.413 -2.848 4.314 671 1HG2 ILE 89 HG23 ILE 89 8.614 -3.800 4.385 672 2HG2 ILE 89 HG21 ILE 89 7.936 -3.084 2.912 673 3HG2 ILE 89 HG22 ILE 89 8.097 -2.127 4.402 674 1HD1 ILE 89 HD11 ILE 89 5.798 -1.087 5.460 675 2HD1 ILE 89 HD12 ILE 89 6.483 -0.682 3.864 676 3HD1 ILE 89 HD13 ILE 89 4.749 -0.512 4.149 677 H THR 90 H THR 90 8.191 -5.989 2.723 678 HA THR 90 HA THR 90 9.489 -7.121 5.018 679 HB THR 90 HB THR 90 7.814 -8.779 4.880 680 HG1 THR 90 HG1 THR 90 9.152 -10.410 4.953 681 1HG2 THR 90 HG22 THR 90 8.439 -9.085 1.911 682 2HG2 THR 90 HG23 THR 90 7.438 -10.203 2.859 683 3HG2 THR 90 HG21 THR 90 6.919 -8.529 2.629 684 H LYS 91 H LYS 91 10.941 -9.053 3.309 685 HA LYS 91 HA LYS 91 12.247 -7.111 1.411 686 1HB LYS 91 HB2 LYS 91 13.701 -9.040 3.262 687 2HB LYS 91 HB3 LYS 91 14.431 -7.907 2.108 688 1HG LYS 91 HG2 LYS 91 13.242 -6.033 3.386 689 2HG LYS 91 HG3 LYS 91 12.904 -7.217 4.656 690 1HD LYS 91 HD2 LYS 91 15.652 -6.396 3.598 691 2HD LYS 91 HD3 LYS 91 14.918 -5.853 5.110 692 1HE LYS 91 HE2 LYS 91 14.863 -8.234 5.919 693 2HE LYS 91 HE3 LYS 91 15.704 -8.731 4.436 694 1HZ LYS 91 HZ3 LYS 91 16.746 -6.852 6.431 695 2HZ LYS 91 HZ1 LYS 91 17.209 -8.421 6.238 696 3HZ LYS 91 HZ2 LYS 91 17.517 -7.321 5.052 697 H LYS 92 H LYS 92 10.305 -9.426 1.047 698 HA LYS 92 HA LYS 92 11.796 -11.442 -0.436 699 1HB LYS 92 HB2 LYS 92 8.852 -10.645 -0.488 700 2HB LYS 92 HB3 LYS 92 9.544 -12.073 -1.269 701 1HG LYS 92 HG2 LYS 92 9.397 -11.503 1.725 702 2HG LYS 92 HG3 LYS 92 8.445 -12.673 0.800 703 1HD LYS 92 HD2 LYS 92 10.678 -13.791 0.163 704 2HD LYS 92 HD3 LYS 92 11.425 -12.781 1.419 705 1HE LYS 92 HE2 LYS 92 9.216 -14.855 1.773 706 2HE LYS 92 HE3 LYS 92 10.878 -14.947 2.369 707 1HZ LYS 92 HZ3 LYS 92 10.376 -13.039 3.769 708 2HZ LYS 92 HZ1 LYS 92 8.807 -13.049 3.247 709 3HZ LYS 92 HZ2 LYS 92 9.395 -14.334 4.077 710 H GLY 93 H GLY 93 12.784 -11.018 -2.375 711 1HA GLY 93 HA2 GLY 93 12.074 -8.643 -3.934 712 2HA GLY 93 HA3 GLY 93 13.317 -9.844 -4.316 713 HA PRO 94 HA PRO 94 9.355 -10.813 -6.765 714 1HB PRO 94 HB2 PRO 94 9.779 -9.503 -9.151 715 2HB PRO 94 HB3 PRO 94 8.989 -8.717 -7.758 716 1HG PRO 94 HG2 PRO 94 11.912 -8.577 -8.553 717 2HG PRO 94 HG3 PRO 94 10.809 -7.215 -8.189 718 1HD PRO 94 HD2 PRO 94 12.503 -8.236 -6.311 719 2HD PRO 94 HD3 PRO 94 10.852 -7.698 -5.871 720 HA PRO 95 HA PRO 95 8.623 -11.541 -9.151 721 1HB PRO 95 HB2 PRO 95 8.777 -14.461 -9.769 722 2HB PRO 95 HB3 PRO 95 8.153 -13.135 -10.786 723 1HG PRO 95 HG2 PRO 95 10.551 -14.313 -11.337 724 2HG PRO 95 HG3 PRO 95 10.366 -12.538 -11.471 725 1HD PRO 95 HD2 PRO 95 11.486 -14.104 -9.117 726 2HD PRO 95 HD3 PRO 95 12.199 -12.704 -9.967 727 H TYR 96 H TYR 96 6.773 -12.008 -7.874 728 HA TYR 96 HA TYR 96 7.228 -13.530 -5.399 729 1HB TYR 96 HB2 TYR 96 4.785 -12.086 -6.403 730 2HB TYR 96 HB3 TYR 96 4.976 -12.806 -4.811 731 HD1 TYR 96 HD2 TYR 96 6.827 -12.002 -3.293 732 HD2 TYR 96 HD1 TYR 96 5.726 -9.877 -6.881 733 HE1 TYR 96 HE2 TYR 96 8.266 -10.134 -2.629 734 HE2 TYR 96 HE1 TYR 96 7.283 -8.054 -6.258 735 HH TYR 96 HH TYR 96 9.343 -8.231 -3.353 736 H ALA 97 H ALA 97 5.953 -15.277 -4.775 737 HA ALA 97 HA ALA 97 5.322 -17.146 -6.965 738 1HB ALA 97 HB1 ALA 97 5.345 -17.466 -3.935 739 2HB ALA 97 HB2 ALA 97 5.023 -18.770 -5.099 740 3HB ALA 97 HB3 ALA 97 6.612 -17.978 -5.066 741 H VAL 98 H VAL 98 3.265 -18.116 -7.213 742 HA VAL 98 HA VAL 98 0.982 -16.450 -6.804 743 HB VAL 98 HB VAL 98 1.295 -19.395 -7.495 744 1HG1 VAL 98 HG11 VAL 98 -1.242 -17.698 -7.522 745 2HG1 VAL 98 HG12 VAL 98 -1.074 -19.294 -8.277 746 3HG1 VAL 98 HG13 VAL 98 -0.945 -19.137 -6.523 747 1HG2 VAL 98 HG21 VAL 98 2.159 -17.795 -9.187 748 2HG2 VAL 98 HG22 VAL 98 0.710 -18.626 -9.770 749 3HG2 VAL 98 HG23 VAL 98 0.596 -16.953 -9.186 750 H MET 99 H MET 99 2.418 -19.123 -4.949 751 HA MET 99 HA MET 99 0.296 -19.076 -2.939 752 1HB MET 99 HB2 MET 99 3.052 -20.378 -2.917 753 2HB MET 99 HB3 MET 99 1.782 -20.631 -1.718 754 1HG MET 99 HG2 MET 99 1.698 -21.381 -4.669 755 2HG MET 99 HG3 MET 99 1.823 -22.483 -3.305 756 1HE MET 99 HE3 MET 99 -0.156 -23.028 -1.641 757 2HE MET 99 HE1 MET 99 -0.428 -21.304 -1.279 758 3HE MET 99 HE2 MET 99 -1.786 -22.331 -1.782 759 HA PRO 100 HA PRO 100 2.211 -15.450 -1.185 760 1HB PRO 100 HB2 PRO 100 0.813 -15.125 1.107 761 2HB PRO 100 HB3 PRO 100 0.108 -14.982 -0.525 762 1HG PRO 100 HG2 PRO 100 0.051 -17.416 1.280 763 2HG PRO 100 HG3 PRO 100 -1.340 -16.604 0.496 764 1HD PRO 100 HD2 PRO 100 -0.115 -18.774 -0.633 765 2HD PRO 100 HD3 PRO 100 -0.707 -17.420 -1.646 766 H VAL 101 H VAL 101 4.228 -16.869 -1.104 767 HA VAL 101 HA VAL 101 5.101 -17.679 1.585 768 HB VAL 101 HB VAL 101 6.760 -17.244 -0.936 769 1HG1 VAL 101 HG13 VAL 101 7.284 -18.855 1.612 770 2HG1 VAL 101 HG11 VAL 101 8.338 -18.799 0.186 771 3HG1 VAL 101 HG12 VAL 101 8.110 -17.350 1.167 772 1HG2 VAL 101 HG21 VAL 101 5.401 -19.760 0.133 773 2HG2 VAL 101 HG22 VAL 101 5.041 -18.941 -1.400 774 3HG2 VAL 101 HG23 VAL 101 6.601 -19.728 -1.174 775 H ILE 102 H ILE 102 4.145 -15.565 2.235 776 HA ILE 102 HA ILE 102 5.669 -13.118 1.747 777 HB ILE 102 HB ILE 102 3.897 -12.095 3.126 778 1HG1 ILE 102 HG12 ILE 102 1.838 -14.000 3.189 779 2HG1 ILE 102 HG13 ILE 102 3.190 -14.906 3.816 780 1HG2 ILE 102 HG21 ILE 102 3.686 -12.281 0.697 781 2HG2 ILE 102 HG22 ILE 102 2.835 -13.822 0.877 782 3HG2 ILE 102 HG23 ILE 102 2.111 -12.328 1.500 783 1HD1 ILE 102 HD12 ILE 102 2.285 -12.201 4.878 784 2HD1 ILE 102 HD13 ILE 102 1.942 -13.787 5.600 785 3HD1 ILE 102 HD11 ILE 102 3.608 -13.193 5.518 786 H ASP 103 H ASP 103 5.076 -15.294 4.504 787 HA ASP 103 HA ASP 103 6.140 -13.571 6.459 788 1HB ASP 103 HB2 ASP 103 5.750 -16.587 6.420 789 2HB ASP 103 HB3 ASP 103 6.337 -15.730 7.846 790 HD1 ASP 103 HD ASP 103 3.290 -14.077 8.419 791 HA PRO 104 HA PRO 104 7.386 -13.612 8.419 792 1HB PRO 104 HB2 PRO 104 9.477 -12.189 9.388 793 2HB PRO 104 HB3 PRO 104 9.366 -13.964 9.563 794 1HG PRO 104 HG2 PRO 104 10.887 -12.415 7.443 795 2HG PRO 104 HG3 PRO 104 11.505 -13.734 8.483 796 1HD PRO 104 HD2 PRO 104 10.605 -14.209 5.951 797 2HD PRO 104 HD3 PRO 104 10.283 -15.372 7.263 798 H ILE 105 H ILE 105 6.422 -11.611 8.668 799 HA ILE 105 HA ILE 105 6.861 -9.559 6.574 800 HB ILE 105 HB ILE 105 4.644 -10.095 8.565 801 1HG1 ILE 105 HG12 ILE 105 4.448 -11.447 6.610 802 2HG1 ILE 105 HG13 ILE 105 3.232 -10.173 6.517 803 1HG2 ILE 105 HG22 ILE 105 4.962 -7.615 6.839 804 2HG2 ILE 105 HG23 ILE 105 3.449 -8.131 7.608 805 3HG2 ILE 105 HG21 ILE 105 4.835 -7.710 8.606 806 1HD1 ILE 105 HD12 ILE 105 5.052 -8.917 5.032 807 2HD1 ILE 105 HD13 ILE 105 5.736 -10.541 4.864 808 3HD1 ILE 105 HD11 ILE 105 4.075 -10.222 4.342 809 H VAL 106 H VAL 106 7.465 -7.454 7.127 810 HA VAL 106 HA VAL 106 8.728 -7.188 9.822 811 HB VAL 106 HB VAL 106 8.920 -5.478 7.299 812 1HG1 VAL 106 HG13 VAL 106 10.320 -5.203 10.002 813 2HG1 VAL 106 HG11 VAL 106 10.708 -4.275 8.537 814 3HG1 VAL 106 HG12 VAL 106 9.146 -4.052 9.330 815 1HG2 VAL 106 HG22 VAL 106 10.133 -7.661 7.190 816 2HG2 VAL 106 HG23 VAL 106 11.233 -6.277 7.241 817 3HG2 VAL 106 HG21 VAL 106 10.963 -7.253 8.699 818 H ALA 107 H ALA 107 7.122 -4.740 7.839 819 HA ALA 107 HA ALA 107 5.115 -4.275 10.019 820 1HB ALA 107 HB3 ALA 107 6.139 -2.389 7.849 821 2HB ALA 107 HB1 ALA 107 4.787 -2.051 8.960 822 3HB ALA 107 HB2 ALA 107 6.420 -2.295 9.609 823 H GLY 108 H GLY 108 2.863 -4.430 9.371 824 1HA GLY 108 HA2 GLY 108 2.156 -4.330 6.644 825 2HA GLY 108 HA3 GLY 108 2.328 -6.042 7.117 826 H THR 109 H THR 109 -0.055 -4.958 6.255 827 HA THR 109 HA THR 109 -1.796 -4.811 8.675 828 HB THR 109 HB THR 109 -3.483 -4.086 6.962 829 HG1 THR 109 HG1 THR 109 -1.212 -3.892 5.263 830 1HG2 THR 109 HG23 THR 109 -0.963 -2.396 7.172 831 2HG2 THR 109 HG21 THR 109 -2.524 -1.816 6.548 832 3HG2 THR 109 HG22 THR 109 -2.391 -2.352 8.229 833 H GLY 110 H GLY 110 -3.527 -6.297 8.813 834 1HA GLY 110 HA2 GLY 110 -3.107 -8.902 7.488 835 2HA GLY 110 HA3 GLY 110 -4.310 -8.452 8.705 836 H PHE 111 H PHE 111 -5.960 -9.520 7.166 837 HA PHE 111 HA PHE 111 -6.432 -8.200 4.615 838 1HB PHE 111 HB2 PHE 111 -8.332 -9.996 6.142 839 2HB PHE 111 HB3 PHE 111 -8.390 -9.603 4.449 840 HD1 PHE 111 HD1 PHE 111 -6.260 -10.166 2.996 841 HD2 PHE 111 HD2 PHE 111 -7.132 -11.997 6.804 842 HE1 PHE 111 HE1 PHE 111 -4.609 -11.960 2.519 843 HE2 PHE 111 HE2 PHE 111 -5.475 -13.776 6.322 844 HZ PHE 111 HZ PHE 111 -4.195 -13.750 4.193 845 H SER 112 H SER 112 -7.968 -6.600 4.170 846 HA SER 112 HA SER 112 -8.573 -4.889 6.457 847 1HB SER 112 HB2 SER 112 -9.055 -3.227 4.723 848 2HB SER 112 HB3 SER 112 -7.699 -4.179 4.128 849 HG SER 112 HG SER 112 -10.460 -4.396 3.445 850 HA PRO 113 HA PRO 113 -12.984 -5.783 6.659 851 1HB PRO 113 HB2 PRO 113 -14.149 -3.303 6.950 852 2HB PRO 113 HB3 PRO 113 -13.255 -4.111 8.268 853 1HG PRO 113 HG2 PRO 113 -12.205 -2.021 6.345 854 2HG PRO 113 HG3 PRO 113 -12.064 -2.023 8.126 855 1HD PRO 113 HD2 PRO 113 -10.060 -2.901 6.565 856 2HD PRO 113 HD3 PRO 113 -10.451 -3.799 8.055 857 H VAL 114 H VAL 114 -14.962 -5.283 5.238 858 HA VAL 114 HA VAL 114 -14.104 -4.399 2.499 859 HB VAL 114 HB VAL 114 -15.753 -6.862 3.154 860 1HG1 VAL 114 HG12 VAL 114 -16.036 -5.815 0.856 861 2HG1 VAL 114 HG13 VAL 114 -14.283 -6.000 0.628 862 3HG1 VAL 114 HG11 VAL 114 -15.321 -7.431 0.844 863 1HG2 VAL 114 HG21 VAL 114 -12.782 -6.621 2.541 864 2HG2 VAL 114 HG22 VAL 114 -13.512 -7.315 4.005 865 3HG2 VAL 114 HG23 VAL 114 -13.702 -8.136 2.455 866 HA PRO 115 HA PRO 115 -18.104 -2.248 3.436 867 1HB PRO 115 HB2 PRO 115 -16.557 -0.172 1.900 868 2HB PRO 115 HB3 PRO 115 -17.691 0.084 3.257 869 1HG PRO 115 HG2 PRO 115 -15.037 0.243 3.704 870 2HG PRO 115 HG3 PRO 115 -16.036 -0.721 4.833 871 1HD PRO 115 HD2 PRO 115 -14.403 -1.757 2.483 872 2HD PRO 115 HD3 PRO 115 -14.413 -2.310 4.180 873 H LYS 116 H LYS 116 -19.640 -1.554 1.704 874 HA LYS 116 HA LYS 116 -18.795 -2.195 -1.065 875 1HB LYS 116 HB2 LYS 116 -21.236 -3.335 0.336 876 2HB LYS 116 HB3 LYS 116 -20.797 -3.615 -1.365 877 1HG LYS 116 HG2 LYS 116 -18.616 -4.617 -0.584 878 2HG LYS 116 HG3 LYS 116 -19.208 -4.496 1.083 879 1HD LYS 116 HD2 LYS 116 -21.075 -6.007 0.577 880 2HD LYS 116 HD3 LYS 116 -20.564 -6.096 -1.119 881 1HE LYS 116 HE2 LYS 116 -19.764 -8.067 0.114 882 2HE LYS 116 HE3 LYS 116 -18.399 -7.093 -0.448 883 1HZ LYS 116 HZ2 LYS 116 -19.511 -7.064 2.274 884 2HZ LYS 116 HZ3 LYS 116 -18.129 -7.828 1.806 885 3HZ LYS 116 HZ1 LYS 116 -18.213 -6.185 1.770 886 H ASP 117 H ASP 117 -19.872 0.158 0.699 887 HA ASP 117 HA ASP 117 -20.635 1.734 -1.483 888 1HB ASP 117 HB2 ASP 117 -22.830 0.586 -1.435 889 2HB ASP 117 HB3 ASP 117 -22.986 0.927 0.299 890 HD1 ASP 117 HD ASP 117 -23.147 4.178 -2.067 891 H GLY 118 H GLY 118 -20.838 3.913 -0.873 892 1HA GLY 118 HA2 GLY 118 -20.479 5.816 0.286 893 2HA GLY 118 HA3 GLY 118 -21.174 5.029 1.698 894 H LYS 119 H LYS 119 -19.520 3.304 2.648 895 HA LYS 119 HA LYS 119 -17.368 4.953 3.693 896 1HB LYS 119 HB2 LYS 119 -18.378 2.159 4.360 897 2HB LYS 119 HB3 LYS 119 -17.002 2.928 5.162 898 1HG LYS 119 HG2 LYS 119 -18.450 4.814 5.867 899 2HG LYS 119 HG3 LYS 119 -19.856 3.990 5.156 900 1HD LYS 119 HD2 LYS 119 -19.492 2.058 6.669 901 2HD LYS 119 HD3 LYS 119 -18.032 2.827 7.326 902 1HE LYS 119 HE2 LYS 119 -19.407 4.730 8.155 903 2HE LYS 119 HE3 LYS 119 -20.871 3.925 7.553 904 1HZ LYS 119 HZ1 LYS 119 -19.023 2.851 9.571 905 2HZ LYS 119 HZ2 LYS 119 -20.498 3.522 9.874 906 3HZ LYS 119 HZ3 LYS 119 -20.393 2.109 9.032 907 H PHE 120 H PHE 120 -15.191 4.335 3.763 908 HA PHE 120 HA PHE 120 -14.228 2.478 1.646 909 1HB PHE 120 HB2 PHE 120 -13.895 5.415 1.937 910 2HB PHE 120 HB3 PHE 120 -12.464 4.568 1.451 911 HD1 PHE 120 HD2 PHE 120 -16.036 5.175 0.625 912 HD2 PHE 120 HD1 PHE 120 -12.442 3.272 -0.718 913 HE1 PHE 120 HE2 PHE 120 -17.067 4.788 -1.593 914 HE2 PHE 120 HE1 PHE 120 -13.386 3.094 -3.007 915 HZ PHE 120 HZ PHE 120 -15.652 4.031 -3.481 916 H GLY 121 H GLY 121 -13.237 0.958 2.777 917 1HA GLY 121 HA2 GLY 121 -12.205 1.049 5.391 918 2HA GLY 121 HA3 GLY 121 -11.774 -0.127 4.147 919 H TYR 122 H TYR 122 -10.497 2.248 6.144 920 HA TYR 122 HA TYR 122 -8.094 2.482 4.476 921 1HB TYR 122 HB2 TYR 122 -7.750 4.727 4.690 922 2HB TYR 122 HB3 TYR 122 -9.392 4.565 4.128 923 HD1 TYR 122 HD2 TYR 122 -10.567 4.161 7.038 924 HD2 TYR 122 HD1 TYR 122 -7.696 6.907 5.396 925 HE1 TYR 122 HE2 TYR 122 -11.267 5.872 8.685 926 HE2 TYR 122 HE1 TYR 122 -8.342 8.592 7.087 927 HH TYR 122 HH TYR 122 -10.993 8.036 9.413 928 H THR 123 H THR 123 -6.209 2.991 5.590 929 HA THR 123 HA THR 123 -6.074 2.577 8.500 930 HB THR 123 HB THR 123 -5.255 0.520 6.396 931 HG1 THR 123 HG1 THR 123 -6.672 0.477 8.823 932 1HG2 THR 123 HG23 THR 123 -4.172 0.792 9.218 933 2HG2 THR 123 HG21 THR 123 -4.177 -0.724 8.292 934 3HG2 THR 123 HG22 THR 123 -3.256 0.671 7.704 935 H ASP 124 H ASP 124 -4.697 4.137 9.002 936 HA ASP 124 HA ASP 124 -2.546 5.051 7.166 937 1HB ASP 124 HB2 ASP 124 -3.487 6.121 9.861 938 2HB ASP 124 HB3 ASP 124 -2.343 6.884 8.756 939 HD2 ASP 124 HD ASP 124 -6.283 7.164 8.093 940 H PHE 125 H PHE 125 -1.565 2.733 7.527 941 HA PHE 125 HA PHE 125 -0.752 2.278 10.293 942 1HB PHE 125 HB2 PHE 125 0.266 0.323 9.785 943 2HB PHE 125 HB3 PHE 125 -1.282 0.383 8.978 944 HD1 PHE 125 HD2 PHE 125 -1.292 0.574 6.398 945 HD2 PHE 125 HD1 PHE 125 2.355 0.088 8.656 946 HE1 PHE 125 HE2 PHE 125 -0.257 -0.589 4.487 947 HE2 PHE 125 HE1 PHE 125 3.401 -1.038 6.715 948 HZ PHE 125 HZ PHE 125 2.093 -1.419 4.653 949 H THR 126 H THR 126 0.944 3.049 11.199 950 HA THR 126 HA THR 126 2.776 4.819 9.670 951 HB THR 126 HB THR 126 2.166 4.689 12.638 952 HG1 THR 126 HG1 THR 126 0.399 5.279 11.093 953 1HG2 THR 126 HG21 THR 126 4.333 5.801 12.055 954 2HG2 THR 126 HG22 THR 126 3.467 6.846 10.913 955 3HG2 THR 126 HG23 THR 126 3.127 6.961 12.650 956 H TRP 127 H TRP 127 4.172 3.238 8.810 957 HA TRP 127 HA TRP 127 5.532 1.359 10.620 958 1HB TRP 127 HB2 TRP 127 5.079 0.588 8.386 959 2HB TRP 127 HB3 TRP 127 5.845 1.997 7.672 960 HD1 TRP 127 HD1 TRP 127 7.413 -0.160 10.433 961 HE1 TRP 127 HE1 TRP 127 9.526 -1.288 9.594 962 HE3 TRP 127 HE3 TRP 127 7.296 1.447 5.586 963 HZ2 TRP 127 HZ2 TRP 127 10.980 -1.531 7.077 964 HZ3 TRP 127 HZ3 TRP 127 9.252 0.980 4.087 965 HH2 TRP 127 HH2 TRP 127 10.961 -0.612 4.747 966 H HIS 128 H HIS 128 7.312 1.883 11.724 967 HA HIS 128 HA HIS 128 8.869 4.344 11.095 968 1HB HIS 128 HB2 HIS 128 8.814 2.496 13.500 969 2HB HIS 128 HB3 HIS 128 9.947 3.829 13.265 970 HD1 HIS 128 HD1 HIS 128 6.066 3.376 13.498 971 HD2 HIS 128 HD2 HIS 128 9.131 6.261 13.818 972 HE1 HIS 128 HE1 HIS 128 4.980 5.499 14.425 973 HE2 HIS 128 HE2 HIS 128 6.847 7.254 14.595 974 HA PRO 129 HA PRO 129 11.023 0.945 8.978 975 1HB PRO 129 HB2 PRO 129 12.307 2.295 7.063 976 2HB PRO 129 HB3 PRO 129 10.523 2.301 7.105 977 1HG PRO 129 HG2 PRO 129 12.388 4.406 8.265 978 2HG PRO 129 HG3 PRO 129 11.049 4.665 7.114 979 1HD PRO 129 HD2 PRO 129 10.749 4.905 9.850 980 2HD PRO 129 HD3 PRO 129 9.436 4.302 8.795 981 H THR 130 H THR 130 13.336 0.592 8.205 982 HA THR 130 HA THR 130 15.466 1.829 9.815 983 HB THR 130 HB THR 130 16.428 -0.614 9.818 984 HG1 THR 130 HG1 THR 130 14.801 -1.585 8.532 985 1HG2 THR 130 HG22 THR 130 15.708 0.571 11.877 986 2HG2 THR 130 HG23 THR 130 14.034 0.047 11.593 987 3HG2 THR 130 HG21 THR 130 15.292 -1.154 11.939 988 H ALA 131 H ALA 131 17.524 1.728 8.497 989 HA ALA 131 HA ALA 131 16.842 2.349 5.836 990 1HB ALA 131 HB3 ALA 131 18.784 3.334 6.976 991 2HB ALA 131 HB1 ALA 131 19.625 1.767 6.890 992 3HB ALA 131 HB2 ALA 131 19.213 2.653 5.399 993 H GLY 132 H GLY 132 17.784 1.393 3.848 994 1HA GLY 132 HA2 GLY 132 18.924 -0.456 2.779 995 2HA GLY 132 HA3 GLY 132 18.189 -1.587 3.930 996 H THR 133 H THR 133 17.530 -2.724 1.972 997 HA THR 133 HA THR 133 15.466 -1.418 0.290 998 HB THR 133 HB THR 133 16.996 -4.001 -0.172 999 HG1 THR 133 HG1 THR 133 18.283 -2.071 -0.168 1000 1HG2 THR 133 HG22 THR 133 15.282 -2.277 -2.022 1001 2HG2 THR 133 HG23 THR 133 16.249 -3.676 -2.522 1002 3HG2 THR 133 HG21 THR 133 14.867 -3.902 -1.438 1003 H TYR 134 H TYR 134 13.407 -2.284 0.168 1004 HA TYR 134 HA TYR 134 12.713 -4.753 1.594 1005 1HB TYR 134 HB2 TYR 134 11.277 -2.114 2.130 1006 2HB TYR 134 HB3 TYR 134 10.830 -3.664 2.782 1007 HD1 TYR 134 HD2 TYR 134 13.376 -0.969 2.794 1008 HD2 TYR 134 HD1 TYR 134 11.863 -4.451 4.838 1009 HE1 TYR 134 HE2 TYR 134 14.744 -0.415 4.724 1010 HE2 TYR 134 HE1 TYR 134 13.357 -3.950 6.760 1011 HH TYR 134 HH TYR 134 15.845 -1.393 6.556 1012 H TYR 135 H TYR 135 10.190 -5.028 1.107 1013 HA TYR 135 HA TYR 135 9.422 -3.930 -1.479 1014 1HB TYR 135 HB2 TYR 135 9.638 -6.909 -0.945 1015 2HB TYR 135 HB3 TYR 135 8.853 -6.182 -2.343 1016 HD1 TYR 135 HD2 TYR 135 12.117 -6.830 -0.715 1017 HD2 TYR 135 HD1 TYR 135 10.133 -5.445 -4.260 1018 HE1 TYR 135 HE2 TYR 135 14.284 -6.817 -1.891 1019 HE2 TYR 135 HE1 TYR 135 12.315 -5.486 -5.472 1020 HH TYR 135 HH TYR 135 15.368 -6.383 -3.880 1021 H TYR 136 H TYR 136 7.091 -4.191 -1.801 1022 HA TYR 136 HA TYR 136 5.626 -5.056 0.640 1023 1HB TYR 136 HB2 TYR 136 3.924 -3.430 0.219 1024 2HB TYR 136 HB3 TYR 136 5.481 -2.656 0.485 1025 HD1 TYR 136 HD1 TYR 136 6.642 -1.477 -1.327 1026 HD2 TYR 136 HD2 TYR 136 2.786 -3.281 -1.979 1027 HE1 TYR 136 HE1 TYR 136 6.263 0.027 -3.251 1028 HE2 TYR 136 HE2 TYR 136 2.462 -1.817 -3.987 1029 HH TYR 136 HH TYR 136 4.922 0.408 -5.114 1030 H VAL 137 H VAL 137 3.698 -6.197 0.336 1031 HA VAL 137 HA VAL 137 2.780 -6.847 -2.369 1032 HB VAL 137 HB VAL 137 2.902 -9.274 -1.961 1033 1HG1 VAL 137 HG12 VAL 137 4.730 -8.208 -3.242 1034 2HG1 VAL 137 HG13 VAL 137 5.698 -8.108 -1.748 1035 3HG1 VAL 137 HG11 VAL 137 5.201 -9.680 -2.384 1036 1HG2 VAL 137 HG22 VAL 137 4.565 -8.557 0.505 1037 2HG2 VAL 137 HG23 VAL 137 2.974 -9.347 0.508 1038 3HG2 VAL 137 HG21 VAL 137 4.376 -10.179 -0.172 1039 H CYS 138 H CYS 138 0.749 -8.050 -2.342 1040 HA CYS 138 HA CYS 138 -0.893 -7.779 0.145 1041 1HB CYS 138 HB2 CYS 138 -1.996 -6.774 -1.705 1042 2HB CYS 138 HB3 CYS 138 -1.550 -8.063 -2.805 1043 H GLN 139 H GLN 139 -1.585 -9.631 1.212 1044 HA GLN 139 HA GLN 139 -0.112 -12.068 0.693 1045 1HB GLN 139 HB2 GLN 139 -2.230 -11.231 2.679 1046 2HB GLN 139 HB3 GLN 139 -1.604 -12.879 2.646 1047 1HG GLN 139 HG2 GLN 139 0.601 -12.163 3.133 1048 2HG GLN 139 HG3 GLN 139 0.189 -10.455 2.972 1049 1HE2 GLN 139 HE22 GLN 139 -1.395 -10.272 6.197 1050 2HE2 GLN 139 HE21 GLN 139 -1.139 -9.467 4.649 1051 H ILE 140 H ILE 140 -3.289 -11.043 -0.361 1052 HA ILE 140 HA ILE 140 -4.528 -13.592 -0.337 1053 HB ILE 140 HB ILE 140 -5.043 -11.239 -2.146 1054 1HG1 ILE 140 HG12 ILE 140 -6.284 -12.161 0.490 1055 2HG1 ILE 140 HG13 ILE 140 -5.278 -10.726 0.258 1056 1HG2 ILE 140 HG22 ILE 140 -5.974 -13.353 -3.092 1057 2HG2 ILE 140 HG23 ILE 140 -6.813 -13.650 -1.552 1058 3HG2 ILE 140 HG21 ILE 140 -7.247 -12.261 -2.567 1059 1HD1 ILE 140 HD11 ILE 140 -7.044 -9.799 -1.276 1060 2HD1 ILE 140 HD12 ILE 140 -8.091 -11.154 -0.781 1061 3HD1 ILE 140 HD13 ILE 140 -7.510 -10.002 0.426 1062 HA PRO 141 HA PRO 141 -1.808 -15.754 -3.061 1063 1HB PRO 141 HB2 PRO 141 -4.372 -17.076 -3.997 1064 2HB PRO 141 HB3 PRO 141 -2.787 -17.847 -3.686 1065 1HG PRO 141 HG2 PRO 141 -4.735 -17.929 -1.793 1066 2HG PRO 141 HG3 PRO 141 -3.053 -17.568 -1.317 1067 1HD PRO 141 HD2 PRO 141 -5.356 -15.662 -1.617 1068 2HD PRO 141 HD3 PRO 141 -4.005 -15.678 -0.440 1069 H GLY 142 H GLY 142 -1.066 -15.807 -5.198 1070 1HA GLY 142 HA2 GLY 142 -0.948 -15.314 -7.442 1071 2HA GLY 142 HA3 GLY 142 -2.688 -15.025 -7.457 1072 H HIS 143 H HIS 143 -2.718 -12.884 -5.487 1073 HA HIS 143 HA HIS 143 -2.537 -10.724 -7.218 1074 1HB HIS 143 HB2 HIS 143 -2.406 -10.678 -4.188 1075 2HB HIS 143 HB3 HIS 143 -2.672 -9.288 -5.232 1076 HD2 HIS 143 HD2 HIS 143 -4.616 -12.227 -6.593 1077 HE1 HIS 143 HE1 HIS 143 -7.381 -10.033 -4.254 1078 HE2 HIS 143 HE2 HIS 143 -7.101 -11.905 -5.942 1079 H ALA 144 H ALA 144 -0.085 -11.540 -4.685 1080 HA ALA 144 HA ALA 144 1.696 -9.438 -5.292 1081 1HB ALA 144 HB1 ALA 144 1.875 -10.906 -3.302 1082 2HB ALA 144 HB2 ALA 144 2.493 -12.212 -4.342 1083 3HB ALA 144 HB3 ALA 144 3.403 -10.691 -4.186 1084 H ALA 145 H ALA 145 1.523 -12.755 -6.671 1085 HA ALA 145 HA ALA 145 3.834 -12.550 -8.345 1086 1HB ALA 145 HB1 ALA 145 2.771 -14.687 -7.728 1087 2HB ALA 145 HB2 ALA 145 1.345 -14.275 -8.698 1088 3HB ALA 145 HB3 ALA 145 2.922 -14.508 -9.481 1089 H THR 146 H THR 146 0.395 -11.858 -8.944 1090 HA THR 146 HA THR 146 0.878 -11.286 -11.746 1091 HB THR 146 HB THR 146 -1.538 -10.726 -11.773 1092 HG1 THR 146 HG1 THR 146 -1.460 -11.652 -9.084 1093 1HG2 THR 146 HG22 THR 146 -0.775 -13.409 -10.531 1094 2HG2 THR 146 HG23 THR 146 -2.296 -13.041 -11.368 1095 3HG2 THR 146 HG21 THR 146 -0.763 -12.999 -12.257 1096 H GLY 147 H GLY 147 0.447 -9.148 -8.855 1097 1HA GLY 147 HA2 GLY 147 1.576 -6.954 -10.364 1098 2HA GLY 147 HA3 GLY 147 -0.179 -6.832 -10.364 1099 H MET 148 H MET 148 -0.261 -7.911 -7.433 1100 HA MET 148 HA MET 148 -0.208 -5.196 -6.387 1101 1HB MET 148 HB2 MET 148 -0.851 -7.886 -5.065 1102 2HB MET 148 HB3 MET 148 -0.910 -6.306 -4.253 1103 1HG MET 148 HG2 MET 148 -2.368 -5.514 -6.088 1104 2HG MET 148 HG3 MET 148 -2.781 -7.216 -6.384 1105 1HE MET 148 HE2 MET 148 -3.922 -4.205 -5.147 1106 2HE MET 148 HE3 MET 148 -5.023 -5.404 -5.901 1107 3HE MET 148 HE1 MET 148 -5.354 -4.784 -4.250 1108 H PHE 149 H PHE 149 2.168 -4.802 -6.658 1109 HA PHE 149 HA PHE 149 3.456 -5.276 -4.111 1110 1HB PHE 149 HB2 PHE 149 5.352 -6.572 -4.925 1111 2HB PHE 149 HB3 PHE 149 3.885 -7.401 -5.327 1112 HD1 PHE 149 HD1 PHE 149 6.732 -5.487 -6.792 1113 HD2 PHE 149 HD2 PHE 149 3.100 -7.654 -7.619 1114 HE1 PHE 149 HE1 PHE 149 7.438 -5.783 -9.141 1115 HE2 PHE 149 HE2 PHE 149 3.862 -8.044 -9.942 1116 HZ PHE 149 HZ PHE 149 6.025 -7.091 -10.716 1117 H GLY 150 H GLY 150 5.984 -4.544 -4.377 1118 1HA GLY 150 HA2 GLY 150 6.943 -2.831 -6.382 1119 2HA GLY 150 HA3 GLY 150 6.048 -1.805 -5.276 1120 H LYS 151 H LYS 151 8.741 -1.501 -5.591 1121 HA LYS 151 HA LYS 151 10.139 -3.012 -3.453 1122 1HB LYS 151 HB2 LYS 151 11.507 -1.165 -5.380 1123 2HB LYS 151 HB3 LYS 151 12.122 -2.583 -4.538 1124 1HG LYS 151 HG2 LYS 151 10.652 -3.995 -6.064 1125 2HG LYS 151 HG3 LYS 151 10.206 -2.516 -6.925 1126 1HD LYS 151 HD2 LYS 151 12.531 -2.045 -7.485 1127 2HD LYS 151 HD3 LYS 151 13.076 -3.484 -6.603 1128 1HE LYS 151 HE2 LYS 151 11.752 -4.924 -8.146 1129 2HE LYS 151 HE3 LYS 151 11.207 -3.481 -9.023 1130 1HZ LYS 151 HZ2 LYS 151 13.993 -4.370 -8.754 1131 2HZ LYS 151 HZ3 LYS 151 13.049 -4.536 -10.095 1132 3HZ LYS 151 HZ1 LYS 151 13.483 -3.034 -9.575 1133 H ILE 152 H ILE 152 11.426 -1.811 -1.917 1134 HA ILE 152 HA ILE 152 10.753 1.079 -1.552 1135 HB ILE 152 HB ILE 152 10.592 -1.266 0.328 1136 1HG1 ILE 152 HG12 ILE 152 8.725 1.085 0.361 1137 2HG1 ILE 152 HG13 ILE 152 8.548 -0.158 -0.893 1138 1HG2 ILE 152 HG23 ILE 152 11.015 1.648 1.091 1139 2HG2 ILE 152 HG21 ILE 152 10.475 0.406 2.239 1140 3HG2 ILE 152 HG22 ILE 152 12.062 0.280 1.504 1141 1HD1 ILE 152 HD12 ILE 152 8.540 -0.710 2.112 1142 2HD1 ILE 152 HD13 ILE 152 7.116 -0.637 1.060 1143 3HD1 ILE 152 HD11 ILE 152 8.332 -1.906 0.814 1144 H VAL 153 H VAL 153 12.574 2.276 -1.160 1145 HA VAL 153 HA VAL 153 15.052 0.885 -0.210 1146 HB VAL 153 HB VAL 153 14.900 3.162 -2.203 1147 1HG1 VAL 153 HG11 VAL 153 17.220 1.502 -1.090 1148 2HG1 VAL 153 HG12 VAL 153 17.365 2.645 -2.444 1149 3HG1 VAL 153 HG13 VAL 153 16.934 3.237 -0.838 1150 1HG2 VAL 153 HG22 VAL 153 15.530 0.202 -2.631 1151 2HG2 VAL 153 HG23 VAL 153 14.159 1.101 -3.323 1152 3HG2 VAL 153 HG21 VAL 153 15.807 1.471 -3.841 1153 H VAL 154 H VAL 154 14.995 1.491 1.907 1154 HA VAL 154 HA VAL 154 14.364 4.294 2.677 1155 HB VAL 154 HB VAL 154 15.093 1.891 4.379 1156 1HG1 VAL 154 HG11 VAL 154 15.510 4.150 5.410 1157 2HG1 VAL 154 HG12 VAL 154 13.816 4.573 5.107 1158 3HG1 VAL 154 HG13 VAL 154 14.223 3.265 6.231 1159 1HG2 VAL 154 HG23 VAL 154 12.959 1.473 3.229 1160 2HG2 VAL 154 HG21 VAL 154 12.726 1.742 4.949 1161 3HG2 VAL 154 HG22 VAL 154 12.336 3.038 3.795 1162 H LYS 155 H LYS 155 16.123 5.352 1.685 1163 HA LYS 155 HA LYS 155 18.636 5.145 3.179 1164 1HB LYS 155 HB2 LYS 155 18.768 4.819 0.160 1165 2HB LYS 155 HB3 LYS 155 20.113 4.926 1.321 1166 1HG LYS 155 HG2 LYS 155 19.478 2.777 2.315 1167 2HG LYS 155 HG3 LYS 155 18.143 2.617 1.153 1168 1HD LYS 155 HD2 LYS 155 19.759 2.726 -0.731 1169 2HD LYS 155 HD3 LYS 155 21.098 2.837 0.429 1170 1HE LYS 155 HE2 LYS 155 20.510 0.628 1.356 1171 2HE LYS 155 HE3 LYS 155 19.112 0.518 0.262 1172 1HZ LYS 155 HZ3 LYS 155 20.633 0.567 -1.577 1173 2HZ LYS 155 HZ1 LYS 155 21.926 0.654 -0.557 1174 3HZ LYS 155 HZ2 LYS 155 20.974 -0.690 -0.570 No H/Q in entry = 1174 Start of MODEL 12 1 H GLY 1 H GLY 1 2.946 0.516 11.573 2 1HA GLY 1 HA2 GLY 1 2.950 -1.643 9.828 3 2HA GLY 1 HA3 GLY 1 4.098 -1.427 11.162 4 H THR 2 H THR 2 1.646 -1.607 13.068 5 HA THR 2 HA THR 2 1.855 -4.426 13.641 6 HB THR 2 HB THR 2 0.163 -3.626 15.437 7 HG1 THR 2 HG1 THR 2 -0.595 -1.730 14.681 8 1HG2 THR 2 HG23 THR 2 2.896 -2.276 15.238 9 2HG2 THR 2 HG21 THR 2 1.932 -2.470 16.715 10 3HG2 THR 2 HG22 THR 2 2.578 -3.901 15.888 11 H LEU 3 H LEU 3 0.962 -5.491 11.907 12 HA LEU 3 HA LEU 3 -1.242 -5.068 10.457 13 1HB LEU 3 HB2 LEU 3 -0.902 -7.850 11.600 14 2HB LEU 3 HB3 LEU 3 -1.580 -7.365 10.063 15 HG LEU 3 HG LEU 3 0.980 -6.353 9.811 16 1HD1 LEU 3 HD12 LEU 3 1.652 -7.426 11.986 17 2HD1 LEU 3 HD13 LEU 3 1.185 -8.999 11.309 18 3HD1 LEU 3 HD11 LEU 3 2.529 -8.085 10.592 19 1HD2 LEU 3 HD22 LEU 3 -0.015 -9.156 9.126 20 2HD2 LEU 3 HD23 LEU 3 -0.220 -7.694 8.140 21 3HD2 LEU 3 HD21 LEU 3 1.399 -8.358 8.406 22 H ASP 4 H ASP 4 -3.415 -5.339 10.472 23 HA ASP 4 HA ASP 4 -5.460 -5.325 11.104 24 1HB ASP 4 HB2 ASP 4 -4.919 -7.693 11.634 25 2HB ASP 4 HB3 ASP 4 -4.694 -7.241 13.339 26 HD2 ASP 4 HD ASP 4 -8.083 -7.239 13.945 27 H THR 5 H THR 5 -3.379 -4.516 13.845 28 HA THR 5 HA THR 5 -5.247 -3.697 15.703 29 HB THR 5 HB THR 5 -3.581 -2.075 16.532 30 HG1 THR 5 HG1 THR 5 -2.225 -2.715 14.118 31 1HG2 THR 5 HG23 THR 5 -3.325 -4.504 17.031 32 2HG2 THR 5 HG21 THR 5 -2.254 -4.674 15.626 33 3HG2 THR 5 HG22 THR 5 -1.781 -3.637 16.985 34 H THR 6 H THR 6 -4.144 -1.827 12.895 35 HA THR 6 HA THR 6 -6.043 0.368 13.549 36 HB THR 6 HB THR 6 -3.737 0.317 11.525 37 HG1 THR 6 HG1 THR 6 -3.198 0.151 13.805 38 1HG2 THR 6 HG23 THR 6 -5.425 2.589 12.680 39 2HG2 THR 6 HG21 THR 6 -4.049 2.754 11.575 40 3HG2 THR 6 HG22 THR 6 -5.546 1.977 11.015 41 H TRP 7 H TRP 7 -7.978 0.300 12.577 42 HA TRP 7 HA TRP 7 -8.277 -0.198 9.747 43 1HB TRP 7 HB2 TRP 7 -9.627 -1.970 11.803 44 2HB TRP 7 HB3 TRP 7 -10.306 -1.678 10.207 45 HD1 TRP 7 HD1 TRP 7 -8.809 -4.356 11.725 46 HE1 TRP 7 HE1 TRP 7 -7.436 -5.827 10.207 47 HE3 TRP 7 HE3 TRP 7 -8.271 -1.133 7.752 48 HZ2 TRP 7 HZ2 TRP 7 -6.012 -5.553 7.690 49 HZ3 TRP 7 HZ3 TRP 7 -6.827 -1.742 5.856 50 HH2 TRP 7 HH2 TRP 7 -5.759 -3.987 5.759 51 H LYS 8 H LYS 8 -9.637 1.381 9.001 52 HA LYS 8 HA LYS 8 -11.987 2.090 10.559 53 1HB LYS 8 HB2 LYS 8 -9.883 4.155 9.694 54 2HB LYS 8 HB3 LYS 8 -11.485 4.550 10.343 55 1HG LYS 8 HG2 LYS 8 -10.823 3.421 12.496 56 2HG LYS 8 HG3 LYS 8 -9.191 3.214 11.824 57 1HD LYS 8 HD2 LYS 8 -8.972 5.668 11.539 58 2HD LYS 8 HD3 LYS 8 -10.609 5.892 12.174 59 1HE LYS 8 HE2 LYS 8 -8.984 6.351 13.928 60 2HE LYS 8 HE3 LYS 8 -9.918 4.905 14.349 61 1HZ LYS 8 HZ3 LYS 8 -7.230 4.915 13.155 62 2HZ LYS 8 HZ1 LYS 8 -7.572 4.643 14.743 63 3HZ LYS 8 HZ2 LYS 8 -8.085 3.576 13.600 64 H GLU 9 H GLU 9 -13.300 3.748 9.090 65 HA GLU 9 HA GLU 9 -12.540 3.475 6.299 66 1HB GLU 9 HB2 GLU 9 -15.455 2.999 6.846 67 2HB GLU 9 HB3 GLU 9 -14.475 2.666 5.413 68 1HG GLU 9 HG2 GLU 9 -13.275 0.864 6.910 69 2HG GLU 9 HG3 GLU 9 -14.565 1.140 8.080 70 HE2 GLU 9 HE GLU 9 -15.068 -1.775 6.038 71 H ALA 10 H ALA 10 -13.333 5.037 5.003 72 HA ALA 10 HA ALA 10 -14.596 7.460 6.191 73 1HB ALA 10 HB1 ALA 10 -12.102 7.671 5.632 74 2HB ALA 10 HB2 ALA 10 -12.517 7.287 3.943 75 3HB ALA 10 HB3 ALA 10 -13.168 8.750 4.746 76 H THR 11 H THR 11 -14.830 8.621 3.490 77 HA THR 11 HA THR 11 -16.312 6.588 1.964 78 HB THR 11 HB THR 11 -18.177 8.015 1.597 79 HG1 THR 11 HG1 THR 11 -16.721 9.895 3.161 80 1HG2 THR 11 HG23 THR 11 -18.260 6.662 3.674 81 2HG2 THR 11 HG21 THR 11 -17.657 8.059 4.595 82 3HG2 THR 11 HG22 THR 11 -19.216 8.152 3.766 83 H LEU 12 H LEU 12 -16.845 7.565 -0.258 84 HA LEU 12 HA LEU 12 -14.646 7.751 -1.720 85 1HB LEU 12 HB2 LEU 12 -16.887 7.503 -2.591 86 2HB LEU 12 HB3 LEU 12 -17.220 9.214 -2.423 87 HG LEU 12 HG LEU 12 -14.758 8.424 -3.981 88 1HD1 LEU 12 HD12 LEU 12 -17.590 8.113 -5.065 89 2HD1 LEU 12 HD13 LEU 12 -16.095 8.019 -6.021 90 3HD1 LEU 12 HD11 LEU 12 -16.423 6.801 -4.779 91 1HD2 LEU 12 HD23 LEU 12 -16.938 10.518 -4.440 92 2HD2 LEU 12 HD21 LEU 12 -15.324 10.836 -3.774 93 3HD2 LEU 12 HD22 LEU 12 -15.496 10.294 -5.444 94 HA PRO 13 HA PRO 13 -14.213 12.489 -1.988 95 1HB PRO 13 HB2 PRO 13 -15.068 13.992 0.241 96 2HB PRO 13 HB3 PRO 13 -15.918 13.827 -1.319 97 1HG PRO 13 HG2 PRO 13 -16.349 12.214 1.208 98 2HG PRO 13 HG3 PRO 13 -17.587 12.959 0.154 99 1HD PRO 13 HD2 PRO 13 -17.044 10.366 -0.058 100 2HD PRO 13 HD3 PRO 13 -17.192 11.333 -1.549 101 H GLN 14 H GLN 14 -13.921 10.734 1.136 102 HA GLN 14 HA GLN 14 -11.598 12.294 1.960 103 1HB GLN 14 HB2 GLN 14 -12.573 9.607 2.882 104 2HB GLN 14 HB3 GLN 14 -11.141 10.469 3.488 105 1HG GLN 14 HG2 GLN 14 -12.823 11.003 5.056 106 2HG GLN 14 HG3 GLN 14 -12.528 12.445 4.098 107 1HE2 GLN 14 HE21 GLN 14 -15.967 12.709 3.307 108 2HE2 GLN 14 HE22 GLN 14 -14.408 13.496 3.454 109 H VAL 15 H VAL 15 -12.174 9.568 -0.236 110 HA VAL 15 HA VAL 15 -9.422 8.653 -0.302 111 HB VAL 15 HB VAL 15 -11.420 8.605 -2.594 112 1HG1 VAL 15 HG11 VAL 15 -8.970 6.918 -1.969 113 2HG1 VAL 15 HG12 VAL 15 -10.114 6.628 -3.298 114 3HG1 VAL 15 HG13 VAL 15 -9.139 8.102 -3.277 115 1HG2 VAL 15 HG21 VAL 15 -12.453 7.532 -0.596 116 2HG2 VAL 15 HG22 VAL 15 -12.026 6.385 -1.865 117 3HG2 VAL 15 HG23 VAL 15 -11.006 6.522 -0.411 118 H LYS 16 H LYS 16 -11.348 10.990 -2.181 119 HA LYS 16 HA LYS 16 -9.270 11.951 -3.869 120 1HB LYS 16 HB2 LYS 16 -11.706 13.463 -2.840 121 2HB LYS 16 HB3 LYS 16 -10.655 13.919 -4.187 122 1HG LYS 16 HG2 LYS 16 -11.260 11.795 -5.366 123 2HG LYS 16 HG3 LYS 16 -12.329 11.362 -4.027 124 1HD LYS 16 HD2 LYS 16 -13.672 12.254 -5.790 125 2HD LYS 16 HD3 LYS 16 -13.694 13.406 -4.446 126 1HE LYS 16 HE2 LYS 16 -12.095 14.864 -5.623 127 2HE LYS 16 HE3 LYS 16 -11.882 13.652 -6.901 128 1HZ LYS 16 HZ2 LYS 16 -14.376 15.066 -6.274 129 2HZ LYS 16 HZ3 LYS 16 -13.370 15.386 -7.537 130 3HZ LYS 16 HZ1 LYS 16 -14.176 13.952 -7.473 131 H ALA 17 H ALA 17 -10.404 13.126 -0.665 132 HA ALA 17 HA ALA 17 -8.542 15.191 -0.299 133 1HB ALA 17 HB2 ALA 17 -10.434 14.673 1.237 134 2HB ALA 17 HB3 ALA 17 -9.541 13.273 1.865 135 3HB ALA 17 HB1 ALA 17 -8.894 14.904 2.088 136 H MET 18 H MET 18 -8.154 11.769 0.783 137 HA MET 18 HA MET 18 -5.549 12.049 1.775 138 1HB MET 18 HB2 MET 18 -7.085 9.658 0.772 139 2HB MET 18 HB3 MET 18 -5.417 9.522 1.355 140 1HG MET 18 HG2 MET 18 -5.989 10.563 3.484 141 2HG MET 18 HG3 MET 18 -7.677 10.729 2.996 142 1HE MET 18 HE2 MET 18 -9.370 8.823 2.932 143 2HE MET 18 HE3 MET 18 -8.398 8.042 1.667 144 3HE MET 18 HE1 MET 18 -8.966 7.093 3.063 145 H LEU 19 H LEU 19 -6.565 11.048 -1.536 146 HA LEU 19 HA LEU 19 -4.053 10.435 -2.559 147 1HB LEU 19 HB2 LEU 19 -6.479 11.699 -3.863 148 2HB LEU 19 HB3 LEU 19 -5.056 11.242 -4.800 149 HG LEU 19 HG LEU 19 -6.515 9.224 -3.045 150 1HD1 LEU 19 HD11 LEU 19 -6.939 9.880 -5.997 151 2HD1 LEU 19 HD12 LEU 19 -7.614 8.471 -5.154 152 3HD1 LEU 19 HD13 LEU 19 -8.120 10.102 -4.689 153 1HD2 LEU 19 HD22 LEU 19 -4.661 8.923 -5.442 154 2HD2 LEU 19 HD23 LEU 19 -4.211 8.589 -3.754 155 3HD2 LEU 19 HD21 LEU 19 -5.434 7.597 -4.551 156 H GLU 20 H GLU 20 -5.252 13.714 -1.908 157 HA GLU 20 HA GLU 20 -3.160 14.980 -3.523 158 1HB GLU 20 HB2 GLU 20 -4.988 16.124 -1.367 159 2HB GLU 20 HB3 GLU 20 -3.964 17.049 -2.476 160 1HG GLU 20 HG2 GLU 20 -6.326 15.283 -3.296 161 2HG GLU 20 HG3 GLU 20 -6.307 17.046 -3.236 162 HE2 GLU 20 HE GLU 20 -4.713 15.153 -6.356 163 H LYS 21 H LYS 21 -3.504 13.706 -0.253 164 HA LYS 21 HA LYS 21 -1.259 15.316 0.795 165 1HB LYS 21 HB2 LYS 21 -2.966 13.147 2.087 166 2HB LYS 21 HB3 LYS 21 -1.726 14.128 2.866 167 1HG LYS 21 HG2 LYS 21 -3.209 16.151 1.832 168 2HG LYS 21 HG3 LYS 21 -4.458 14.904 1.835 169 1HD LYS 21 HD2 LYS 21 -4.681 16.036 3.915 170 2HD LYS 21 HD3 LYS 21 -3.864 14.515 4.316 171 1HE LYS 21 HE2 LYS 21 -1.650 15.767 4.260 172 2HE LYS 21 HE3 LYS 21 -2.537 17.246 3.891 173 1HZ LYS 21 HZ1 LYS 21 -3.668 17.014 5.987 174 2HZ LYS 21 HZ2 LYS 21 -2.842 15.627 6.323 175 3HZ LYS 21 HZ3 LYS 21 -2.036 17.060 6.207 176 H ASP 22 H ASP 22 -0.186 14.217 -1.199 177 HA ASP 22 HA ASP 22 1.454 11.934 -0.063 178 1HB ASP 22 HB2 ASP 22 0.505 12.282 -2.925 179 2HB ASP 22 HB3 ASP 22 1.872 11.270 -2.453 180 HD2 ASP 22 HD ASP 22 -1.518 11.444 -2.523 181 H THR 23 H THR 23 3.186 13.047 0.729 182 HA THR 23 HA THR 23 4.551 15.146 -0.698 183 HB THR 23 HB THR 23 6.188 14.488 1.314 184 HG1 THR 23 HG1 THR 23 5.001 13.353 2.930 185 1HG2 THR 23 HG22 THR 23 3.355 15.510 1.799 186 2HG2 THR 23 HG23 THR 23 4.751 15.730 2.876 187 3HG2 THR 23 HG21 THR 23 4.740 16.493 1.276 188 H GLY 24 H GLY 24 4.319 13.171 -2.558 189 1HA GLY 24 HA2 GLY 24 6.922 11.652 -2.662 190 2HA GLY 24 HA3 GLY 24 5.371 11.100 -3.277 191 H LYS 25 H LYS 25 8.231 12.679 -4.063 192 HA LYS 25 HA LYS 25 7.271 14.134 -6.436 193 1HB LYS 25 HB2 LYS 25 10.093 13.330 -5.596 194 2HB LYS 25 HB3 LYS 25 9.649 14.536 -6.811 195 1HG LYS 25 HG2 LYS 25 8.630 15.945 -5.035 196 2HG LYS 25 HG3 LYS 25 9.095 14.736 -3.818 197 1HD LYS 25 HD2 LYS 25 11.478 15.011 -4.396 198 2HD LYS 25 HD3 LYS 25 11.055 16.177 -5.662 199 1HE LYS 25 HE2 LYS 25 11.840 17.341 -3.662 200 2HE LYS 25 HE3 LYS 25 10.134 17.721 -3.956 201 1HZ LYS 25 HZ2 LYS 25 11.139 15.739 -2.017 202 2HZ LYS 25 HZ3 LYS 25 10.591 17.252 -1.661 203 3HZ LYS 25 HZ1 LYS 25 9.557 16.127 -2.275 204 H VAL 26 H VAL 26 8.826 13.363 -8.468 205 HA VAL 26 HA VAL 26 8.403 10.420 -8.822 206 HB VAL 26 HB VAL 26 8.118 12.713 -10.794 207 1HG1 VAL 26 HG11 VAL 26 8.043 9.707 -11.259 208 2HG1 VAL 26 HG12 VAL 26 7.456 10.919 -12.420 209 3HG1 VAL 26 HG13 VAL 26 9.164 10.874 -11.997 210 1HG2 VAL 26 HG21 VAL 26 6.152 10.671 -9.685 211 2HG2 VAL 26 HG22 VAL 26 6.151 12.415 -9.354 212 3HG2 VAL 26 HG23 VAL 26 5.790 11.829 -10.983 213 H SER 27 H SER 27 10.035 9.301 -9.927 214 HA SER 27 HA SER 27 12.458 10.717 -10.839 215 1HB SER 27 HB2 SER 27 12.552 8.598 -8.658 216 2HB SER 27 HB3 SER 27 13.946 9.317 -9.484 217 HG SER 27 HG SER 27 12.473 11.341 -8.645 218 H GLY 28 H GLY 28 11.208 9.977 -12.765 219 1HA GLY 28 HA2 GLY 28 11.099 8.532 -14.580 220 2HA GLY 28 HA3 GLY 28 12.225 7.426 -13.758 221 H ASP 29 H ASP 29 10.954 5.494 -13.984 222 HA ASP 29 HA ASP 29 8.134 5.482 -13.123 223 1HB ASP 29 HB2 ASP 29 8.963 4.058 -14.993 224 2HB ASP 29 HB3 ASP 29 9.922 3.119 -13.838 225 HD1 ASP 29 HD ASP 29 8.634 2.123 -12.108 226 H THR 30 H THR 30 9.239 6.553 -11.038 227 HA THR 30 HA THR 30 9.004 4.632 -8.903 228 HB THR 30 HB THR 30 11.692 5.833 -9.666 229 HG1 THR 30 HG1 THR 30 10.942 3.591 -10.106 230 1HG2 THR 30 HG23 THR 30 11.010 4.902 -6.869 231 2HG2 THR 30 HG21 THR 30 12.621 5.230 -7.524 232 3HG2 THR 30 HG22 THR 30 11.451 6.553 -7.370 233 H VAL 31 H VAL 31 8.566 5.758 -6.952 234 HA VAL 31 HA VAL 31 8.089 8.697 -7.227 235 HB VAL 31 HB VAL 31 6.603 6.518 -5.745 236 1HG1 VAL 31 HG13 VAL 31 6.332 9.511 -5.202 237 2HG1 VAL 31 HG11 VAL 31 5.267 8.231 -4.606 238 3HG1 VAL 31 HG12 VAL 31 6.943 8.300 -4.048 239 1HG2 VAL 31 HG22 VAL 31 5.743 8.770 -7.599 240 2HG2 VAL 31 HG23 VAL 31 5.886 7.042 -8.000 241 3HG2 VAL 31 HG21 VAL 31 4.666 7.580 -6.834 242 H THR 32 H THR 32 8.817 10.037 -5.475 243 HA THR 32 HA THR 32 10.899 8.788 -3.734 244 HB THR 32 HB THR 32 11.186 11.121 -5.658 245 HG1 THR 32 HG1 THR 32 12.576 9.787 -6.661 246 1HG2 THR 32 HG21 THR 32 13.134 10.142 -3.520 247 2HG2 THR 32 HG22 THR 32 13.548 11.237 -4.852 248 3HG2 THR 32 HG23 THR 32 12.383 11.745 -3.622 249 H TYR 33 H TYR 33 10.307 9.186 -1.715 250 HA TYR 33 HA TYR 33 8.700 11.588 -1.099 251 1HB TYR 33 HB2 TYR 33 9.406 9.030 0.317 252 2HB TYR 33 HB3 TYR 33 8.983 10.439 1.269 253 HD1 TYR 33 HD1 TYR 33 7.706 8.269 -1.509 254 HD2 TYR 33 HD2 TYR 33 6.769 11.276 1.430 255 HE1 TYR 33 HE1 TYR 33 5.295 8.113 -2.096 256 HE2 TYR 33 HE2 TYR 33 4.366 11.013 0.937 257 HH TYR 33 HH TYR 33 2.765 9.761 -0.258 258 H SER 34 H SER 34 9.282 12.784 0.953 259 HA SER 34 HA SER 34 12.116 13.092 1.527 260 1HB SER 34 HB2 SER 34 10.527 15.394 0.309 261 2HB SER 34 HB3 SER 34 12.200 15.461 0.889 262 HG SER 34 HG SER 34 12.140 13.482 -0.831 263 H GLY 35 H GLY 35 12.372 14.525 3.406 264 1HA GLY 35 HA2 GLY 35 11.729 15.442 5.411 265 2HA GLY 35 HA3 GLY 35 10.065 15.580 4.817 266 H LYS 36 H LYS 36 10.031 14.888 7.303 267 HA LYS 36 HA LYS 36 10.263 11.984 7.696 268 1HB LYS 36 HB2 LYS 36 9.353 14.185 9.563 269 2HB LYS 36 HB3 LYS 36 9.594 12.499 10.012 270 1HG LYS 36 HG2 LYS 36 11.809 14.321 8.938 271 2HG LYS 36 HG3 LYS 36 11.482 14.009 10.645 272 1HD LYS 36 HD2 LYS 36 11.875 11.583 10.300 273 2HD LYS 36 HD3 LYS 36 12.280 11.892 8.592 274 1HE LYS 36 HE2 LYS 36 14.174 13.301 9.275 275 2HE LYS 36 HE3 LYS 36 13.772 13.033 10.984 276 1HZ LYS 36 HZ3 LYS 36 14.142 10.700 10.643 277 2HZ LYS 36 HZ1 LYS 36 14.521 10.941 9.058 278 3HZ LYS 36 HZ2 LYS 36 15.486 11.564 10.240 279 H THR 37 H THR 37 7.718 14.361 7.054 280 HA THR 37 HA THR 37 5.563 12.665 7.836 281 HB THR 37 HB THR 37 5.399 15.067 5.978 282 HG1 THR 37 HG1 THR 37 5.422 16.282 7.938 283 1HG2 THR 37 HG21 THR 37 3.320 13.776 6.550 284 2HG2 THR 37 HG22 THR 37 3.651 14.047 8.272 285 3HG2 THR 37 HG23 THR 37 3.290 15.425 7.208 286 H VAL 38 H VAL 38 6.440 10.777 6.596 287 HA VAL 38 HA VAL 38 6.075 10.852 3.655 288 HB VAL 38 HB VAL 38 7.286 8.831 5.548 289 1HG1 VAL 38 HG13 VAL 38 6.844 8.705 2.536 290 2HG1 VAL 38 HG11 VAL 38 8.121 7.793 3.348 291 3HG1 VAL 38 HG12 VAL 38 6.428 7.493 3.748 292 1HG2 VAL 38 HG22 VAL 38 8.571 10.910 5.151 293 2HG2 VAL 38 HG23 VAL 38 9.350 9.526 4.369 294 3HG2 VAL 38 HG21 VAL 38 8.417 10.691 3.413 295 H HIS 39 H HIS 39 3.850 11.327 3.770 296 HA HIS 39 HA HIS 39 2.011 9.217 4.677 297 1HB HIS 39 HB2 HIS 39 1.595 11.741 4.792 298 2HB HIS 39 HB3 HIS 39 1.313 11.684 3.052 299 HD1 HIS 39 HD1 HIS 39 -1.246 11.392 2.581 300 HD2 HIS 39 HD2 HIS 39 0.063 9.734 6.216 301 HE1 HIS 39 HE1 HIS 39 -3.353 10.563 3.798 302 HE2 HIS 39 HE2 HIS 39 -2.543 9.534 6.016 303 H VAL 40 H VAL 40 1.967 7.407 3.457 304 HA VAL 40 HA VAL 40 2.393 7.601 0.477 305 HB VAL 40 HB VAL 40 2.986 5.355 2.426 306 1HG1 VAL 40 HG13 VAL 40 3.314 5.480 -0.606 307 2HG1 VAL 40 HG11 VAL 40 3.985 4.219 0.447 308 3HG1 VAL 40 HG12 VAL 40 2.236 4.381 0.282 309 1HG2 VAL 40 HG23 VAL 40 4.595 7.259 2.434 310 2HG2 VAL 40 HG21 VAL 40 5.306 5.755 1.826 311 3HG2 VAL 40 HG22 VAL 40 4.833 7.032 0.692 312 H VAL 41 H VAL 41 0.283 7.955 -0.214 313 HA VAL 41 HA VAL 41 -1.886 6.419 0.948 314 HB VAL 41 HB VAL 41 -1.835 8.379 -1.329 315 1HG1 VAL 41 HG12 VAL 41 -4.161 7.335 0.314 316 2HG1 VAL 41 HG13 VAL 41 -4.235 8.689 -0.835 317 3HG1 VAL 41 HG11 VAL 41 -3.888 7.048 -1.422 318 1HG2 VAL 41 HG21 VAL 41 -1.073 9.322 0.930 319 2HG2 VAL 41 HG22 VAL 41 -2.593 9.992 0.375 320 3HG2 VAL 41 HG23 VAL 41 -2.595 8.740 1.623 321 H ALA 42 H ALA 42 -2.577 4.458 0.258 322 HA ALA 42 HA ALA 42 -1.844 3.490 -2.484 323 1HB ALA 42 HB1 ALA 42 -1.504 2.049 0.168 324 2HB ALA 42 HB2 ALA 42 -1.291 1.321 -1.442 325 3HB ALA 42 HB3 ALA 42 -0.216 2.629 -0.903 326 H ALA 43 H ALA 43 -3.665 3.053 -3.571 327 HA ALA 43 HA ALA 43 -6.089 2.146 -2.133 328 1HB ALA 43 HB2 ALA 43 -6.323 4.002 -3.734 329 2HB ALA 43 HB3 ALA 43 -5.664 2.966 -5.025 330 3HB ALA 43 HB1 ALA 43 -7.201 2.550 -4.247 331 H ALA 44 H ALA 44 -6.980 0.101 -2.527 332 HA ALA 44 HA ALA 44 -5.336 -1.780 -4.211 333 1HB ALA 44 HB1 ALA 44 -5.236 -2.192 -1.721 334 2HB ALA 44 HB2 ALA 44 -6.946 -2.668 -1.829 335 3HB ALA 44 HB3 ALA 44 -5.729 -3.539 -2.761 336 H VAL 45 H VAL 45 -6.427 -1.505 -6.043 337 HA VAL 45 HA VAL 45 -7.902 -1.765 -7.667 338 HB VAL 45 HB VAL 45 -8.922 -4.175 -6.150 339 1HG1 VAL 45 HG11 VAL 45 -10.054 -3.596 -8.326 340 2HG1 VAL 45 HG12 VAL 45 -8.470 -3.639 -9.121 341 3HG1 VAL 45 HG13 VAL 45 -9.151 -5.111 -8.406 342 1HG2 VAL 45 HG21 VAL 45 -6.347 -3.884 -7.745 343 2HG2 VAL 45 HG22 VAL 45 -6.500 -4.287 -6.013 344 3HG2 VAL 45 HG23 VAL 45 -7.065 -5.425 -7.235 345 H LEU 46 H LEU 46 -8.924 0.291 -6.938 346 HA LEU 46 HA LEU 46 -11.500 0.033 -5.606 347 1HB LEU 46 HB2 LEU 46 -10.592 2.407 -7.252 348 2HB LEU 46 HB3 LEU 46 -11.821 2.353 -5.995 349 HG LEU 46 HG LEU 46 -8.817 2.077 -5.657 350 1HD1 LEU 46 HD13 LEU 46 -9.642 4.367 -6.006 351 2HD1 LEU 46 HD11 LEU 46 -10.815 4.166 -4.688 352 3HD1 LEU 46 HD12 LEU 46 -9.075 4.162 -4.339 353 1HD2 LEU 46 HD22 LEU 46 -11.031 1.784 -3.598 354 2HD2 LEU 46 HD23 LEU 46 -9.816 0.561 -4.029 355 3HD2 LEU 46 HD21 LEU 46 -9.319 2.032 -3.194 356 HA PRO 47 HA PRO 47 -14.018 -1.306 -9.024 357 1HB PRO 47 HB2 PRO 47 -15.737 1.052 -8.184 358 2HB PRO 47 HB3 PRO 47 -16.266 -0.574 -8.703 359 1HG PRO 47 HG2 PRO 47 -16.093 0.004 -6.065 360 2HG PRO 47 HG3 PRO 47 -15.427 -1.547 -6.665 361 1HD PRO 47 HD2 PRO 47 -13.936 0.978 -5.949 362 2HD PRO 47 HD3 PRO 47 -13.517 -0.735 -5.645 363 H GLY 48 H GLY 48 -12.976 -0.921 -10.930 364 1HA GLY 48 HA2 GLY 48 -13.456 0.561 -13.005 365 2HA GLY 48 HA3 GLY 48 -12.745 1.847 -12.014 366 H PHE 49 H PHE 49 -10.755 0.444 -10.617 367 HA PHE 49 HA PHE 49 -8.762 0.263 -12.743 368 1HB PHE 49 HB2 PHE 49 -8.579 -0.053 -9.735 369 2HB PHE 49 HB3 PHE 49 -7.204 -0.218 -10.818 370 HD1 PHE 49 HD1 PHE 49 -6.616 1.745 -12.403 371 HD2 PHE 49 HD2 PHE 49 -9.272 2.139 -9.036 372 HE1 PHE 49 HE1 PHE 49 -6.212 4.193 -12.367 373 HE2 PHE 49 HE2 PHE 49 -8.838 4.583 -8.978 374 HZ PHE 49 HZ PHE 49 -7.295 5.610 -10.638 375 HA PRO 50 HA PRO 50 -9.222 -4.130 -13.114 376 1HB PRO 50 HB2 PRO 50 -6.967 -4.833 -14.480 377 2HB PRO 50 HB3 PRO 50 -8.247 -3.820 -15.211 378 1HG PRO 50 HG2 PRO 50 -5.689 -2.875 -13.879 379 2HG PRO 50 HG3 PRO 50 -6.310 -2.416 -15.494 380 1HD PRO 50 HD2 PRO 50 -6.756 -0.869 -13.301 381 2HD PRO 50 HD3 PRO 50 -8.028 -1.081 -14.543 382 H PHE 51 H PHE 51 -8.396 -6.121 -12.346 383 HA PHE 51 HA PHE 51 -6.815 -5.978 -9.901 384 1HB PHE 51 HB2 PHE 51 -8.148 -8.209 -11.494 385 2HB PHE 51 HB3 PHE 51 -7.024 -8.585 -10.216 386 HD1 PHE 51 HD2 PHE 51 -10.346 -7.050 -10.905 387 HD2 PHE 51 HD1 PHE 51 -7.566 -8.412 -7.897 388 HE1 PHE 51 HE2 PHE 51 -12.170 -7.096 -9.230 389 HE2 PHE 51 HE1 PHE 51 -9.398 -8.434 -6.227 390 HZ PHE 51 HZ PHE 51 -11.694 -7.830 -6.898 391 HA PRO 52 HA PRO 52 -5.473 -7.300 -8.770 392 1HB PRO 52 HB2 PRO 52 -3.075 -8.031 -7.904 393 2HB PRO 52 HB3 PRO 52 -4.020 -9.147 -8.922 394 1HG PRO 52 HG2 PRO 52 -1.805 -7.273 -9.826 395 2HG PRO 52 HG3 PRO 52 -1.944 -9.029 -10.134 396 1HD PRO 52 HD2 PRO 52 -2.840 -7.102 -11.919 397 2HD PRO 52 HD3 PRO 52 -3.622 -8.696 -11.751 398 H SER 53 H SER 53 -3.631 -5.109 -10.688 399 HA SER 53 HA SER 53 -1.758 -3.963 -9.305 400 1HB SER 53 HB2 SER 53 -2.779 -1.799 -10.636 401 2HB SER 53 HB3 SER 53 -1.897 -3.140 -11.384 402 HG SER 53 HG SER 53 -4.741 -3.188 -11.089 403 H PHE 54 H PHE 54 -1.340 -2.988 -7.479 404 HA PHE 54 HA PHE 54 -3.255 -1.590 -5.768 405 1HB PHE 54 HB2 PHE 54 -0.194 -1.796 -5.865 406 2HB PHE 54 HB3 PHE 54 -1.034 -0.781 -4.726 407 HD1 PHE 54 HD1 PHE 54 -2.931 -1.898 -3.283 408 HD2 PHE 54 HD2 PHE 54 0.606 -3.840 -4.854 409 HE1 PHE 54 HE1 PHE 54 -2.898 -3.466 -1.344 410 HE2 PHE 54 HE2 PHE 54 0.665 -5.307 -2.883 411 HZ PHE 54 HZ PHE 54 -1.072 -5.094 -1.099 412 H GLU 55 H GLU 55 -3.812 0.589 -6.110 413 HA GLU 55 HA GLU 55 -2.195 2.082 -8.120 414 1HB GLU 55 HB2 GLU 55 -4.769 3.221 -7.193 415 2HB GLU 55 HB3 GLU 55 -3.865 3.244 -8.728 416 1HG GLU 55 HG2 GLU 55 -5.770 2.068 -9.225 417 2HG GLU 55 HG3 GLU 55 -4.531 0.821 -9.094 418 HE1 GLU 55 HE GLU 55 -4.905 -0.733 -7.459 419 H VAL 56 H VAL 56 -0.649 3.447 -7.315 420 HA VAL 56 HA VAL 56 -0.840 4.265 -4.444 421 HB VAL 56 HB VAL 56 1.610 3.629 -6.091 422 1HG1 VAL 56 HG11 VAL 56 1.270 4.393 -3.157 423 2HG1 VAL 56 HG12 VAL 56 2.763 3.740 -3.861 424 3HG1 VAL 56 HG13 VAL 56 2.151 5.296 -4.412 425 1HG2 VAL 56 HG21 VAL 56 0.163 2.088 -3.882 426 2HG2 VAL 56 HG22 VAL 56 0.416 1.555 -5.558 427 3HG2 VAL 56 HG23 VAL 56 1.788 1.688 -4.457 428 H HIS 57 H HIS 57 -2.075 5.992 -5.130 429 HA HIS 57 HA HIS 57 -2.570 8.057 -5.819 430 1HB HIS 57 HB2 HIS 57 -1.016 9.810 -4.942 431 2HB HIS 57 HB3 HIS 57 -1.573 8.593 -3.794 432 HD1 HIS 57 HD1 HIS 57 0.261 6.812 -2.922 433 HD2 HIS 57 HD2 HIS 57 1.571 10.188 -5.084 434 HE1 HIS 57 HE1 HIS 57 2.758 7.107 -2.390 435 HE2 HIS 57 HE2 HIS 57 3.535 9.163 -3.692 436 H ASP 58 H ASP 58 0.879 8.373 -6.602 437 HA ASP 58 HA ASP 58 0.157 9.988 -8.958 438 1HB ASP 58 HB2 ASP 58 2.053 10.689 -7.563 439 2HB ASP 58 HB3 ASP 58 2.866 9.136 -7.854 440 HD1 ASP 58 HD ASP 58 2.667 11.855 -10.821 441 H LYS 59 H LYS 59 1.099 6.668 -8.211 442 HA LYS 59 HA LYS 59 1.142 6.004 -11.115 443 1HB LYS 59 HB2 LYS 59 3.216 5.036 -9.121 444 2HB LYS 59 HB3 LYS 59 3.163 4.713 -10.866 445 1HG LYS 59 HG2 LYS 59 3.321 7.318 -11.077 446 2HG LYS 59 HG3 LYS 59 3.928 7.245 -9.402 447 1HD LYS 59 HD2 LYS 59 5.699 5.642 -10.156 448 2HD LYS 59 HD3 LYS 59 5.097 5.779 -11.816 449 1HE LYS 59 HE2 LYS 59 6.309 8.018 -10.121 450 2HE LYS 59 HE3 LYS 59 7.029 7.218 -11.522 451 1HZ LYS 59 HZ2 LYS 59 5.171 8.090 -12.826 452 2HZ LYS 59 HZ3 LYS 59 4.660 8.935 -11.497 453 3HZ LYS 59 HZ1 LYS 59 6.123 9.266 -12.172 454 H LYS 60 H LYS 60 1.585 3.369 -11.019 455 HA LYS 60 HA LYS 60 -0.214 2.203 -8.960 456 1HB LYS 60 HB2 LYS 60 -0.174 1.430 -11.894 457 2HB LYS 60 HB3 LYS 60 -1.222 0.774 -10.611 458 1HG LYS 60 HG2 LYS 60 -2.056 3.211 -10.321 459 2HG LYS 60 HG3 LYS 60 -1.304 3.536 -11.879 460 1HD LYS 60 HD2 LYS 60 -3.518 1.488 -11.334 461 2HD LYS 60 HD3 LYS 60 -3.703 3.084 -12.057 462 1HE LYS 60 HE2 LYS 60 -3.730 1.678 -13.909 463 2HE LYS 60 HE3 LYS 60 -2.074 2.296 -13.907 464 1HZ LYS 60 HZ2 LYS 60 -2.977 -0.313 -12.870 465 2HZ LYS 60 HZ3 LYS 60 -2.189 -0.055 -14.291 466 3HZ LYS 60 HZ1 LYS 60 -1.417 0.218 -12.866 467 H ASN 61 H ASN 61 0.700 0.596 -7.941 468 HA ASN 61 HA ASN 61 2.372 -0.731 -7.155 469 1HB ASN 61 HB2 ASN 61 2.412 -1.671 -10.047 470 2HB ASN 61 HB3 ASN 61 2.837 -2.606 -8.632 471 1HD2 ASN 61 HD22 ASN 61 -1.139 -1.760 -9.281 472 2HD2 ASN 61 HD21 ASN 61 0.039 -0.812 -10.112 473 HA PRO 62 HA PRO 62 5.919 1.492 -9.368 474 1HB PRO 62 HB2 PRO 62 6.328 3.823 -8.068 475 2HB PRO 62 HB3 PRO 62 4.937 3.629 -9.169 476 1HG PRO 62 HG2 PRO 62 4.954 3.201 -6.139 477 2HG PRO 62 HG3 PRO 62 3.917 4.342 -7.035 478 1HD PRO 62 HD2 PRO 62 3.046 1.822 -6.457 479 2HD PRO 62 HD3 PRO 62 2.702 2.622 -8.019 480 H THR 63 H THR 63 8.009 2.275 -8.390 481 HA THR 63 HA THR 63 8.741 0.783 -5.923 482 HB THR 63 HB THR 63 10.289 1.850 -8.321 483 HG1 THR 63 HG1 THR 63 9.226 -0.188 -8.399 484 1HG2 THR 63 HG23 THR 63 11.264 0.948 -5.613 485 2HG2 THR 63 HG21 THR 63 12.260 0.758 -7.079 486 3HG2 THR 63 HG22 THR 63 11.749 2.381 -6.567 487 H LEU 64 H LEU 64 9.568 2.012 -4.178 488 HA LEU 64 HA LEU 64 9.157 4.963 -4.388 489 1HB LEU 64 HB2 LEU 64 8.659 3.095 -2.050 490 2HB LEU 64 HB3 LEU 64 8.729 4.855 -1.958 491 HG LEU 64 HG LEU 64 6.939 4.789 -3.894 492 1HD1 LEU 64 HD13 LEU 64 6.462 2.128 -2.461 493 2HD1 LEU 64 HD11 LEU 64 5.340 2.901 -3.597 494 3HD1 LEU 64 HD12 LEU 64 6.897 2.301 -4.174 495 1HD2 LEU 64 HD22 LEU 64 6.275 4.182 -0.986 496 2HD2 LEU 64 HD23 LEU 64 6.602 5.785 -1.674 497 3HD2 LEU 64 HD21 LEU 64 5.167 4.884 -2.186 498 H GLU 65 H GLU 65 10.668 6.313 -3.565 499 HA GLU 65 HA GLU 65 13.144 5.154 -2.315 500 1HB GLU 65 HB2 GLU 65 12.860 7.867 -3.649 501 2HB GLU 65 HB3 GLU 65 14.327 7.118 -3.032 502 1HG GLU 65 HG2 GLU 65 12.636 6.210 -5.381 503 2HG GLU 65 HG3 GLU 65 14.233 6.948 -5.477 504 HE2 GLU 65 HE GLU 65 12.973 3.566 -4.277 505 H ILE 66 H ILE 66 13.325 5.559 -0.180 506 HA ILE 66 HA ILE 66 11.540 7.626 1.015 507 HB ILE 66 HB ILE 66 11.973 4.702 1.585 508 1HG1 ILE 66 HG12 ILE 66 9.603 6.517 0.980 509 2HG1 ILE 66 HG13 ILE 66 10.183 5.088 0.114 510 1HG2 ILE 66 HG21 ILE 66 12.241 5.873 3.808 511 2HG2 ILE 66 HG22 ILE 66 10.682 6.682 3.543 512 3HG2 ILE 66 HG23 ILE 66 10.780 4.922 3.738 513 1HD1 ILE 66 HD12 ILE 66 9.489 3.751 2.205 514 2HD1 ILE 66 HD13 ILE 66 8.650 5.225 2.730 515 3HD1 ILE 66 HD11 ILE 66 8.185 4.443 1.213 516 HA PRO 67 HA PRO 67 15.266 8.664 3.313 517 1HB PRO 67 HB2 PRO 67 14.243 10.556 4.990 518 2HB PRO 67 HB3 PRO 67 14.563 10.839 3.255 519 1HG PRO 67 HG2 PRO 67 11.926 10.213 4.567 520 2HG PRO 67 HG3 PRO 67 12.263 11.409 3.300 521 1HD PRO 67 HD2 PRO 67 11.229 8.879 2.890 522 2HD PRO 67 HD3 PRO 67 12.184 9.756 1.649 523 H ALA 68 H ALA 68 15.970 7.191 4.715 524 HA ALA 68 HA ALA 68 14.560 5.487 6.391 525 1HB ALA 68 HB1 ALA 68 16.978 5.255 5.728 526 2HB ALA 68 HB2 ALA 68 17.371 6.582 6.835 527 3HB ALA 68 HB3 ALA 68 16.719 5.057 7.475 528 H GLY 69 H GLY 69 13.934 5.426 8.539 529 1HA GLY 69 HA2 GLY 69 13.417 6.211 10.615 530 2HA GLY 69 HA3 GLY 69 14.562 7.538 10.399 531 H ALA 70 H ALA 70 12.457 7.838 7.739 532 HA ALA 70 HA ALA 70 10.953 9.979 8.963 533 1HB ALA 70 HB1 ALA 70 10.604 8.439 6.361 534 2HB ALA 70 HB2 ALA 70 9.705 9.897 6.819 535 3HB ALA 70 HB3 ALA 70 11.467 9.983 6.625 536 H THR 71 H THR 71 8.534 10.019 9.031 537 HA THR 71 HA THR 71 7.544 7.527 10.316 538 HB THR 71 HB THR 71 6.199 10.246 10.115 539 HG1 THR 71 HG1 THR 71 8.161 10.243 11.335 540 1HG2 THR 71 HG23 THR 71 5.696 7.719 11.780 541 2HG2 THR 71 HG21 THR 71 4.851 9.270 11.995 542 3HG2 THR 71 HG22 THR 71 4.671 8.357 10.487 543 H VAL 72 H VAL 72 7.338 6.177 8.600 544 HA VAL 72 HA VAL 72 6.034 7.011 6.116 545 HB VAL 72 HB VAL 72 7.022 4.274 7.038 546 1HG1 VAL 72 HG13 VAL 72 5.220 4.225 5.285 547 2HG1 VAL 72 HG11 VAL 72 6.175 5.319 4.283 548 3HG1 VAL 72 HG12 VAL 72 6.782 3.693 4.654 549 1HG2 VAL 72 HG21 VAL 72 8.200 6.487 5.276 550 2HG2 VAL 72 HG22 VAL 72 8.899 5.838 6.760 551 3HG2 VAL 72 HG23 VAL 72 8.785 4.827 5.296 552 H ASP 73 H ASP 73 3.990 7.535 6.459 553 HA ASP 73 HA ASP 73 2.148 5.732 7.987 554 1HB ASP 73 HB2 ASP 73 2.034 8.613 7.100 555 2HB ASP 73 HB3 ASP 73 0.531 7.677 7.234 556 HD1 ASP 73 HD ASP 73 0.833 6.949 10.594 557 H VAL 74 H VAL 74 2.071 3.971 6.633 558 HA VAL 74 HA VAL 74 1.545 4.366 3.759 559 HB VAL 74 HB VAL 74 1.480 1.817 5.370 560 1HG1 VAL 74 HG13 VAL 74 1.691 2.401 2.367 561 2HG1 VAL 74 HG11 VAL 74 1.754 0.786 3.089 562 3HG1 VAL 74 HG12 VAL 74 0.263 1.738 3.185 563 1HG2 VAL 74 HG21 VAL 74 3.772 3.056 3.830 564 2HG2 VAL 74 HG22 VAL 74 3.699 2.650 5.572 565 3HG2 VAL 74 HG23 VAL 74 3.716 1.364 4.365 566 H THR 75 H THR 75 -0.340 5.161 3.348 567 HA THR 75 HA THR 75 -2.649 4.789 5.163 568 HB THR 75 HB THR 75 -2.011 6.948 3.152 569 HG1 THR 75 HG1 THR 75 -0.614 6.898 4.922 570 1HG2 THR 75 HG23 THR 75 -4.237 6.607 5.227 571 2HG2 THR 75 HG21 THR 75 -3.871 8.122 4.380 572 3HG2 THR 75 HG22 THR 75 -4.433 6.717 3.470 573 H PHE 76 H PHE 76 -3.580 2.933 4.540 574 HA PHE 76 HA PHE 76 -3.895 2.342 1.740 575 1HB PHE 76 HB2 PHE 76 -4.919 1.154 4.325 576 2HB PHE 76 HB3 PHE 76 -5.744 0.692 2.868 577 HD1 PHE 76 HD1 PHE 76 -3.194 0.543 0.987 578 HD2 PHE 76 HD2 PHE 76 -4.432 -1.197 4.742 579 HE1 PHE 76 HE1 PHE 76 -3.400 -1.607 -0.082 580 HE2 PHE 76 HE2 PHE 76 -4.359 -3.427 3.704 581 HZ PHE 76 HZ PHE 76 -4.030 -3.620 1.239 582 H ILE 77 H ILE 77 -5.717 2.088 0.581 583 HA ILE 77 HA ILE 77 -8.376 2.811 1.618 584 HB ILE 77 HB ILE 77 -7.362 3.875 -1.057 585 1HG1 ILE 77 HG12 ILE 77 -8.665 5.928 0.261 586 2HG1 ILE 77 HG13 ILE 77 -7.988 5.099 1.638 587 1HG2 ILE 77 HG22 ILE 77 -9.716 2.912 -1.123 588 2HG2 ILE 77 HG23 ILE 77 -10.111 3.967 0.242 589 3HG2 ILE 77 HG21 ILE 77 -9.672 4.653 -1.341 590 1HD1 ILE 77 HD12 ILE 77 -5.703 5.269 0.517 591 2HD1 ILE 77 HD13 ILE 77 -6.490 6.167 -0.805 592 3HD1 ILE 77 HD11 ILE 77 -6.461 6.845 0.833 593 H ASN 78 H ASN 78 -8.097 0.500 1.973 594 HA ASN 78 HA ASN 78 -7.668 -1.169 -0.461 595 1HB ASN 78 HB2 ASN 78 -6.303 -1.698 1.370 596 2HB ASN 78 HB3 ASN 78 -7.601 -1.987 2.472 597 1HD2 ASN 78 HD22 ASN 78 -8.269 -5.031 0.070 598 2HD2 ASN 78 HD21 ASN 78 -9.191 -3.564 0.183 599 H THR 79 H THR 79 -9.645 -0.098 -1.167 600 HA THR 79 HA THR 79 -12.126 -1.372 -0.087 601 HB THR 79 HB THR 79 -11.793 1.261 -1.551 602 HG1 THR 79 HG1 THR 79 -10.925 1.112 0.573 603 1HG2 THR 79 HG22 THR 79 -14.198 -0.188 -0.368 604 2HG2 THR 79 HG23 THR 79 -14.183 1.552 -0.747 605 3HG2 THR 79 HG21 THR 79 -13.972 0.375 -2.028 606 H ASN 80 H ASN 80 -11.757 -3.268 -1.286 607 HA ASN 80 HA ASN 80 -12.607 -3.036 -4.143 608 1HB ASN 80 HB2 ASN 80 -10.301 -3.964 -4.037 609 2HB ASN 80 HB3 ASN 80 -10.842 -5.144 -2.836 610 1HD2 ASN 80 HD22 ASN 80 -11.853 -5.518 -6.824 611 2HD2 ASN 80 HD21 ASN 80 -11.286 -3.988 -6.161 612 H LYS 81 H LYS 81 -14.717 -3.741 -4.207 613 HA LYS 81 HA LYS 81 -15.967 -4.825 -1.828 614 1HB LYS 81 HB2 LYS 81 -16.932 -4.121 -4.614 615 2HB LYS 81 HB3 LYS 81 -17.955 -4.978 -3.461 616 1HG LYS 81 HG2 LYS 81 -18.452 -2.657 -3.376 617 2HG LYS 81 HG3 LYS 81 -17.808 -3.205 -1.827 618 1HD LYS 81 HD2 LYS 81 -15.661 -2.153 -2.250 619 2HD LYS 81 HD3 LYS 81 -16.128 -1.731 -3.913 620 1HE LYS 81 HE2 LYS 81 -17.483 -0.695 -1.371 621 2HE LYS 81 HE3 LYS 81 -16.279 0.192 -2.311 622 1HZ LYS 81 HZ2 LYS 81 -17.744 0.105 -4.193 623 2HZ LYS 81 HZ3 LYS 81 -18.906 -0.641 -3.291 624 3HZ LYS 81 HZ1 LYS 81 -18.422 0.887 -2.912 625 H GLY 82 H GLY 82 -14.405 -6.643 -1.765 626 1HA GLY 82 HA2 GLY 82 -15.632 -9.102 -2.040 627 2HA GLY 82 HA3 GLY 82 -14.725 -8.904 -3.556 628 H PHE 83 H PHE 83 -12.395 -7.888 -3.127 629 HA PHE 83 HA PHE 83 -11.114 -9.881 -1.331 630 1HB PHE 83 HB2 PHE 83 -10.064 -8.092 -3.536 631 2HB PHE 83 HB3 PHE 83 -9.054 -9.107 -2.524 632 HD1 PHE 83 HD1 PHE 83 -11.789 -9.213 -5.065 633 HD2 PHE 83 HD2 PHE 83 -9.037 -11.546 -2.734 634 HE1 PHE 83 HE1 PHE 83 -11.987 -11.067 -6.699 635 HE2 PHE 83 HE2 PHE 83 -9.266 -13.425 -4.342 636 HZ PHE 83 HZ PHE 83 -10.706 -13.170 -6.352 637 H GLY 84 H GLY 84 -10.812 -9.172 0.753 638 1HA GLY 84 HA2 GLY 84 -10.232 -6.436 1.530 639 2HA GLY 84 HA3 GLY 84 -10.075 -7.889 2.492 640 H HIS 85 H HIS 85 -8.449 -7.201 -0.587 641 HA HIS 85 HA HIS 85 -6.375 -8.331 -0.878 642 1HB HIS 85 HB2 HIS 85 -6.235 -5.320 -0.794 643 2HB HIS 85 HB3 HIS 85 -4.957 -6.319 -1.442 644 HD2 HIS 85 HD2 HIS 85 -8.312 -4.854 -2.336 645 HE1 HIS 85 HE1 HIS 85 -7.266 -7.403 -5.570 646 HE2 HIS 85 HE2 HIS 85 -8.881 -5.602 -4.768 647 H SER 86 H SER 86 -5.460 -5.760 1.362 648 HA SER 86 HA SER 86 -4.256 -5.812 3.279 649 1HB SER 86 HB2 SER 86 -2.906 -7.571 4.110 650 2HB SER 86 HB3 SER 86 -4.410 -8.324 3.566 651 HG SER 86 HG SER 86 -3.365 -9.052 1.789 652 H PHE 87 H PHE 87 -2.055 -5.137 3.702 653 HA PHE 87 HA PHE 87 -0.232 -5.050 1.355 654 1HB PHE 87 HB2 PHE 87 -1.522 -2.862 1.980 655 2HB PHE 87 HB3 PHE 87 -0.441 -2.730 3.308 656 HD1 PHE 87 HD2 PHE 87 2.174 -2.839 2.668 657 HD2 PHE 87 HD1 PHE 87 -0.971 -1.991 -0.148 658 HE1 PHE 87 HE2 PHE 87 3.609 -1.140 1.550 659 HE2 PHE 87 HE1 PHE 87 0.569 -0.546 -1.428 660 HZ PHE 87 HZ PHE 87 2.830 -0.036 -0.527 661 H ASP 88 H ASP 88 1.478 -6.361 2.156 662 HA ASP 88 HA ASP 88 2.389 -5.824 4.961 663 1HB ASP 88 HB2 ASP 88 2.315 -8.530 3.612 664 2HB ASP 88 HB3 ASP 88 3.099 -8.143 5.131 665 HD2 ASP 88 HD ASP 88 0.124 -9.565 6.307 666 H ILE 89 H ILE 89 4.544 -5.568 5.194 667 HA ILE 89 HA ILE 89 6.087 -5.259 2.689 668 HB ILE 89 HB ILE 89 6.269 -3.665 5.287 669 1HG1 ILE 89 HG12 ILE 89 5.001 -2.955 2.619 670 2HG1 ILE 89 HG13 ILE 89 4.152 -3.227 4.148 671 1HG2 ILE 89 HG23 ILE 89 8.412 -3.857 4.062 672 2HG2 ILE 89 HG21 ILE 89 7.609 -3.280 2.586 673 3HG2 ILE 89 HG22 ILE 89 7.765 -2.234 4.021 674 1HD1 ILE 89 HD11 ILE 89 5.409 -1.304 5.157 675 2HD1 ILE 89 HD12 ILE 89 6.015 -0.916 3.536 676 3HD1 ILE 89 HD13 ILE 89 4.281 -0.886 3.859 677 H THR 90 H THR 90 7.936 -6.443 2.496 678 HA THR 90 HA THR 90 9.659 -6.865 4.735 679 HB THR 90 HB THR 90 8.064 -8.641 5.205 680 HG1 THR 90 HG1 THR 90 9.649 -9.957 5.721 681 1HG2 THR 90 HG21 THR 90 8.814 -9.772 2.480 682 2HG2 THR 90 HG22 THR 90 7.922 -10.648 3.737 683 3HG2 THR 90 HG23 THR 90 7.213 -9.203 2.987 684 H LYS 91 H LYS 91 11.625 -8.210 3.982 685 HA LYS 91 HA LYS 91 12.357 -6.977 1.390 686 1HB LYS 91 HB2 LYS 91 14.075 -8.496 3.408 687 2HB LYS 91 HB3 LYS 91 14.659 -7.532 2.038 688 1HG LYS 91 HG2 LYS 91 13.591 -5.509 3.084 689 2HG LYS 91 HG3 LYS 91 13.210 -6.476 4.517 690 1HD LYS 91 HD2 LYS 91 15.992 -5.938 3.375 691 2HD LYS 91 HD3 LYS 91 15.255 -5.091 4.742 692 1HE LYS 91 HE2 LYS 91 15.093 -7.270 5.982 693 2HE LYS 91 HE3 LYS 91 15.957 -8.063 4.649 694 1HZ LYS 91 HZ2 LYS 91 16.995 -5.865 6.289 695 2HZ LYS 91 HZ3 LYS 91 17.419 -7.453 6.410 696 3HZ LYS 91 HZ1 LYS 91 17.794 -6.602 5.049 697 H LYS 92 H LYS 92 10.616 -8.708 0.663 698 HA LYS 92 HA LYS 92 12.062 -11.182 -0.265 699 1HB LYS 92 HB2 LYS 92 9.125 -10.526 0.111 700 2HB LYS 92 HB3 LYS 92 9.661 -11.882 -0.868 701 1HG LYS 92 HG2 LYS 92 10.405 -11.480 2.067 702 2HG LYS 92 HG3 LYS 92 9.046 -12.455 1.514 703 1HD LYS 92 HD2 LYS 92 12.017 -12.982 1.007 704 2HD LYS 92 HD3 LYS 92 10.936 -13.887 2.047 705 1HE LYS 92 HE2 LYS 92 10.825 -13.775 -1.000 706 2HE LYS 92 HE3 LYS 92 11.292 -15.139 0.016 707 1HZ LYS 92 HZ2 LYS 92 9.090 -15.219 0.887 708 2HZ LYS 92 HZ3 LYS 92 8.618 -13.937 -0.044 709 3HZ LYS 92 HZ1 LYS 92 9.062 -15.356 -0.755 710 H GLY 93 H GLY 93 13.052 -10.689 -2.160 711 1HA GLY 93 HA2 GLY 93 12.016 -8.722 -4.002 712 2HA GLY 93 HA3 GLY 93 13.312 -9.889 -4.316 713 HA PRO 94 HA PRO 94 9.253 -11.307 -6.369 714 1HB PRO 94 HB2 PRO 94 9.583 -10.388 -8.949 715 2HB PRO 94 HB3 PRO 94 8.823 -9.402 -7.672 716 1HG PRO 94 HG2 PRO 94 11.718 -9.350 -8.563 717 2HG PRO 94 HG3 PRO 94 10.604 -7.961 -8.390 718 1HD PRO 94 HD2 PRO 94 12.352 -8.636 -6.422 719 2HD PRO 94 HD3 PRO 94 10.696 -8.093 -6.013 720 HA PRO 95 HA PRO 95 8.380 -12.391 -8.408 721 1HB PRO 95 HB2 PRO 95 7.798 -14.931 -9.128 722 2HB PRO 95 HB3 PRO 95 8.720 -13.847 -10.210 723 1HG PRO 95 HG2 PRO 95 9.836 -15.927 -8.299 724 2HG PRO 95 HG3 PRO 95 10.217 -15.730 -10.035 725 1HD PRO 95 HD2 PRO 95 11.782 -14.648 -8.057 726 2HD PRO 95 HD3 PRO 95 11.533 -13.799 -9.607 727 H TYR 96 H TYR 96 6.480 -13.239 -7.300 728 HA TYR 96 HA TYR 96 7.059 -14.360 -4.597 729 1HB TYR 96 HB2 TYR 96 4.560 -13.046 -5.632 730 2HB TYR 96 HB3 TYR 96 4.885 -13.562 -3.982 731 HD1 TYR 96 HD2 TYR 96 6.725 -12.454 -2.656 732 HD2 TYR 96 HD1 TYR 96 5.521 -10.986 -6.526 733 HE1 TYR 96 HE2 TYR 96 8.104 -10.447 -2.324 734 HE2 TYR 96 HE1 TYR 96 7.014 -9.056 -6.255 735 HH TYR 96 HH TYR 96 9.107 -8.663 -3.379 736 H ALA 97 H ALA 97 5.736 -16.111 -3.868 737 HA ALA 97 HA ALA 97 5.119 -18.056 -5.978 738 1HB ALA 97 HB1 ALA 97 4.884 -18.183 -2.939 739 2HB ALA 97 HB2 ALA 97 4.589 -19.541 -4.047 740 3HB ALA 97 HB3 ALA 97 6.212 -18.830 -3.924 741 H VAL 98 H VAL 98 3.054 -18.938 -6.344 742 HA VAL 98 HA VAL 98 0.832 -17.149 -6.231 743 HB VAL 98 HB VAL 98 1.070 -20.136 -6.715 744 1HG1 VAL 98 HG13 VAL 98 -1.389 -18.362 -7.065 745 2HG1 VAL 98 HG11 VAL 98 -1.220 -20.013 -7.693 746 3HG1 VAL 98 HG12 VAL 98 -1.231 -19.737 -5.950 747 1HG2 VAL 98 HG23 VAL 98 2.137 -18.686 -8.416 748 2HG2 VAL 98 HG21 VAL 98 0.710 -19.499 -9.072 749 3HG2 VAL 98 HG22 VAL 98 0.617 -17.789 -8.607 750 H MET 99 H MET 99 1.952 -19.779 -4.098 751 HA MET 99 HA MET 99 -0.293 -19.485 -2.269 752 1HB MET 99 HB2 MET 99 2.389 -20.893 -1.926 753 2HB MET 99 HB3 MET 99 1.027 -20.953 -0.808 754 1HG MET 99 HG2 MET 99 0.876 -22.945 -2.046 755 2HG MET 99 HG3 MET 99 -0.398 -21.896 -2.655 756 1HE MET 99 HE2 MET 99 3.034 -23.628 -3.338 757 2HE MET 99 HE3 MET 99 3.435 -23.060 -4.975 758 3HE MET 99 HE1 MET 99 3.507 -21.930 -3.608 759 HA PRO 100 HA PRO 100 1.732 -15.893 -0.482 760 1HB PRO 100 HB2 PRO 100 0.143 -15.357 1.654 761 2HB PRO 100 HB3 PRO 100 -0.411 -15.188 -0.033 762 1HG PRO 100 HG2 PRO 100 -0.866 -17.539 1.817 763 2HG PRO 100 HG3 PRO 100 -2.079 -16.656 0.842 764 1HD PRO 100 HD2 PRO 100 -0.906 -18.986 -0.023 765 2HD PRO 100 HD3 PRO 100 -1.323 -17.671 -1.161 766 H VAL 101 H VAL 101 3.596 -17.361 -0.144 767 HA VAL 101 HA VAL 101 3.998 -18.567 2.474 768 HB VAL 101 HB VAL 101 5.995 -17.874 0.276 769 1HG1 VAL 101 HG11 VAL 101 6.243 -19.712 2.706 770 2HG1 VAL 101 HG12 VAL 101 7.426 -19.576 1.391 771 3HG1 VAL 101 HG13 VAL 101 7.140 -18.200 2.456 772 1HG2 VAL 101 HG23 VAL 101 4.558 -20.485 0.954 773 2HG2 VAL 101 HG21 VAL 101 4.287 -19.497 -0.495 774 3HG2 VAL 101 HG22 VAL 101 5.842 -20.297 -0.259 775 H ILE 102 H ILE 102 3.299 -16.783 3.740 776 HA ILE 102 HA ILE 102 4.658 -14.269 3.657 777 HB ILE 102 HB ILE 102 3.561 -13.821 5.776 778 1HG1 ILE 102 HG12 ILE 102 1.911 -16.358 5.280 779 2HG1 ILE 102 HG13 ILE 102 3.223 -16.315 6.456 780 1HG2 ILE 102 HG21 ILE 102 2.656 -13.149 3.593 781 2HG2 ILE 102 HG22 ILE 102 1.781 -14.690 3.458 782 3HG2 ILE 102 HG23 ILE 102 1.343 -13.516 4.716 783 1HD1 ILE 102 HD12 ILE 102 2.078 -14.425 7.637 784 2HD1 ILE 102 HD13 ILE 102 0.690 -14.637 6.544 785 3HD1 ILE 102 HD11 ILE 102 1.169 -15.949 7.628 786 H ASP 103 H ASP 103 6.724 -14.808 3.706 787 HA ASP 103 HA ASP 103 8.178 -15.825 6.003 788 1HB ASP 103 HB2 ASP 103 8.968 -13.966 3.710 789 2HB ASP 103 HB3 ASP 103 10.114 -14.450 4.960 790 HD1 ASP 103 HD ASP 103 10.156 -17.831 3.932 791 HA PRO 104 HA PRO 104 7.736 -12.954 9.169 792 1HB PRO 104 HB2 PRO 104 10.640 -12.163 8.782 793 2HB PRO 104 HB3 PRO 104 9.738 -12.319 10.321 794 1HG PRO 104 HG2 PRO 104 11.205 -14.417 9.457 795 2HG PRO 104 HG3 PRO 104 9.533 -14.707 10.019 796 1HD PRO 104 HD2 PRO 104 10.554 -14.549 7.197 797 2HD PRO 104 HD3 PRO 104 9.327 -15.641 7.899 798 H ILE 105 H ILE 105 6.405 -11.284 8.830 799 HA ILE 105 HA ILE 105 6.974 -9.215 6.863 800 HB ILE 105 HB ILE 105 4.681 -9.665 8.780 801 1HG1 ILE 105 HG12 ILE 105 4.663 -11.346 7.062 802 2HG1 ILE 105 HG13 ILE 105 3.405 -10.171 6.704 803 1HG2 ILE 105 HG21 ILE 105 5.025 -7.494 6.680 804 2HG2 ILE 105 HG22 ILE 105 3.480 -7.926 7.442 805 3HG2 ILE 105 HG23 ILE 105 4.789 -7.293 8.427 806 1HD1 ILE 105 HD13 ILE 105 5.122 -9.090 5.055 807 2HD1 ILE 105 HD11 ILE 105 6.071 -10.562 5.301 808 3HD1 ILE 105 HD12 ILE 105 4.443 -10.672 4.626 809 H VAL 106 H VAL 106 7.526 -7.094 7.251 810 HA VAL 106 HA VAL 106 8.585 -6.511 9.966 811 HB VAL 106 HB VAL 106 8.834 -4.987 7.327 812 1HG1 VAL 106 HG13 VAL 106 10.185 -4.580 10.036 813 2HG1 VAL 106 HG11 VAL 106 10.589 -3.719 8.538 814 3HG1 VAL 106 HG12 VAL 106 9.009 -3.479 9.295 815 1HG2 VAL 106 HG22 VAL 106 10.801 -6.764 8.821 816 2HG2 VAL 106 HG23 VAL 106 10.040 -7.131 7.261 817 3HG2 VAL 106 HG21 VAL 106 11.168 -5.780 7.389 818 H ALA 107 H ALA 107 6.972 -4.368 7.649 819 HA ALA 107 HA ALA 107 5.000 -3.541 9.740 820 1HB ALA 107 HB1 ALA 107 5.986 -2.140 7.226 821 2HB ALA 107 HB2 ALA 107 4.679 -1.549 8.273 822 3HB ALA 107 HB3 ALA 107 6.326 -1.694 8.909 823 H GLY 108 H GLY 108 2.687 -3.852 9.191 824 1HA GLY 108 HA2 GLY 108 1.974 -4.210 6.452 825 2HA GLY 108 HA3 GLY 108 2.008 -5.790 7.291 826 H THR 109 H THR 109 -0.344 -5.258 6.335 827 HA THR 109 HA THR 109 -1.970 -4.053 8.566 828 HB THR 109 HB THR 109 -3.646 -3.759 6.658 829 HG1 THR 109 HG1 THR 109 -1.235 -3.967 5.167 830 1HG2 THR 109 HG23 THR 109 -1.034 -2.249 6.848 831 2HG2 THR 109 HG21 THR 109 -2.475 -1.642 5.991 832 3HG2 THR 109 HG22 THR 109 -2.528 -1.924 7.743 833 H GLY 110 H GLY 110 -1.871 -6.855 6.301 834 1HA GLY 110 HA2 GLY 110 -3.067 -8.868 6.556 835 2HA GLY 110 HA3 GLY 110 -3.749 -8.285 8.087 836 H PHE 111 H PHE 111 -5.835 -9.275 6.713 837 HA PHE 111 HA PHE 111 -6.516 -7.749 4.407 838 1HB PHE 111 HB2 PHE 111 -8.417 -9.633 5.790 839 2HB PHE 111 HB3 PHE 111 -8.408 -9.150 4.124 840 HD1 PHE 111 HD1 PHE 111 -6.420 -9.741 2.629 841 HD2 PHE 111 HD2 PHE 111 -7.120 -11.618 6.445 842 HE1 PHE 111 HE1 PHE 111 -4.765 -11.494 2.065 843 HE2 PHE 111 HE2 PHE 111 -5.497 -13.399 5.859 844 HZ PHE 111 HZ PHE 111 -4.305 -13.336 3.677 845 H SER 112 H SER 112 -8.195 -6.319 3.947 846 HA SER 112 HA SER 112 -8.848 -4.602 6.206 847 1HB SER 112 HB2 SER 112 -9.592 -3.019 4.468 848 2HB SER 112 HB3 SER 112 -7.995 -3.686 4.096 849 HG SER 112 HG SER 112 -9.740 -3.621 2.372 850 HA PRO 113 HA PRO 113 -13.143 -5.739 6.644 851 1HB PRO 113 HB2 PRO 113 -14.253 -3.494 7.695 852 2HB PRO 113 HB3 PRO 113 -13.038 -4.451 8.572 853 1HG PRO 113 HG2 PRO 113 -12.513 -1.974 6.895 854 2HG PRO 113 HG3 PRO 113 -12.034 -2.245 8.588 855 1HD PRO 113 HD2 PRO 113 -10.323 -2.750 6.562 856 2HD PRO 113 HD3 PRO 113 -10.419 -3.890 7.933 857 H VAL 114 H VAL 114 -12.997 -5.871 4.238 858 HA VAL 114 HA VAL 114 -13.614 -4.560 2.109 859 HB VAL 114 HB VAL 114 -15.364 -6.840 3.056 860 1HG1 VAL 114 HG13 VAL 114 -14.861 -5.706 0.271 861 2HG1 VAL 114 HG11 VAL 114 -15.643 -7.265 0.596 862 3HG1 VAL 114 HG12 VAL 114 -16.425 -5.769 1.103 863 1HG2 VAL 114 HG21 VAL 114 -12.791 -6.744 1.414 864 2HG2 VAL 114 HG22 VAL 114 -12.961 -7.433 3.044 865 3HG2 VAL 114 HG23 VAL 114 -13.777 -8.193 1.681 866 HA PRO 115 HA PRO 115 -16.814 -1.678 3.615 867 1HB PRO 115 HB2 PRO 115 -15.935 -0.194 1.157 868 2HB PRO 115 HB3 PRO 115 -16.166 0.433 2.806 869 1HG PRO 115 HG2 PRO 115 -13.695 -0.036 1.804 870 2HG PRO 115 HG3 PRO 115 -14.069 -0.437 3.514 871 1HD PRO 115 HD2 PRO 115 -13.941 -2.276 1.113 872 2HD PRO 115 HD3 PRO 115 -13.266 -2.482 2.758 873 H LYS 116 H LYS 116 -18.638 -0.489 2.402 874 HA LYS 116 HA LYS 116 -19.649 -2.033 0.065 875 1HB LYS 116 HB2 LYS 116 -21.314 -1.004 2.387 876 2HB LYS 116 HB3 LYS 116 -21.877 -1.960 1.014 877 1HG LYS 116 HG2 LYS 116 -19.978 -2.908 3.207 878 2HG LYS 116 HG3 LYS 116 -21.697 -3.286 3.085 879 1HD LYS 116 HD2 LYS 116 -21.305 -4.430 0.904 880 2HD LYS 116 HD3 LYS 116 -19.570 -4.133 1.059 881 1HE LYS 116 HE2 LYS 116 -21.270 -5.811 2.946 882 2HE LYS 116 HE3 LYS 116 -20.098 -6.401 1.758 883 1HZ LYS 116 HZ1 LYS 116 -18.381 -5.206 3.001 884 2HZ LYS 116 HZ2 LYS 116 -19.498 -4.784 4.129 885 3HZ LYS 116 HZ3 LYS 116 -19.129 -6.370 3.895 886 H ASP 117 H ASP 117 -20.962 -0.857 -1.305 887 HA ASP 117 HA ASP 117 -21.189 0.897 -2.731 888 1HB ASP 117 HB2 ASP 117 -22.700 1.710 -0.217 889 2HB ASP 117 HB3 ASP 117 -22.917 2.461 -1.813 890 HD2 ASP 117 HD ASP 117 -25.491 0.125 -1.925 891 H GLY 118 H GLY 118 -21.355 3.338 -0.232 892 1HA GLY 118 HA2 GLY 118 -19.353 4.880 -1.760 893 2HA GLY 118 HA3 GLY 118 -20.500 5.472 -0.562 894 H LYS 119 H LYS 119 -19.062 2.806 0.905 895 HA LYS 119 HA LYS 119 -17.464 4.638 2.558 896 1HB LYS 119 HB2 LYS 119 -18.163 1.697 2.925 897 2HB LYS 119 HB3 LYS 119 -17.309 2.728 4.092 898 1HG LYS 119 HG2 LYS 119 -19.282 4.233 4.187 899 2HG LYS 119 HG3 LYS 119 -20.160 3.149 3.082 900 1HD LYS 119 HD2 LYS 119 -19.863 1.275 4.703 901 2HD LYS 119 HD3 LYS 119 -19.066 2.380 5.832 902 1HE LYS 119 HE2 LYS 119 -21.939 2.619 4.804 903 2HE LYS 119 HE3 LYS 119 -21.453 2.035 6.402 904 1HZ LYS 119 HZ2 LYS 119 -20.498 4.193 6.827 905 2HZ LYS 119 HZ3 LYS 119 -21.001 4.739 5.355 906 3HZ LYS 119 HZ1 LYS 119 -22.108 4.303 6.492 907 H PHE 120 H PHE 120 -15.278 4.167 3.135 908 HA PHE 120 HA PHE 120 -13.690 2.578 1.165 909 1HB PHE 120 HB2 PHE 120 -13.711 5.503 1.791 910 2HB PHE 120 HB3 PHE 120 -12.176 4.800 1.376 911 HD1 PHE 120 HD2 PHE 120 -11.989 3.518 -0.881 912 HD2 PHE 120 HD1 PHE 120 -15.609 5.491 0.176 913 HE1 PHE 120 HE2 PHE 120 -12.709 3.437 -3.253 914 HE2 PHE 120 HE1 PHE 120 -16.421 5.274 -2.145 915 HZ PHE 120 HZ PHE 120 -14.910 4.391 -3.909 916 H GLY 121 H GLY 121 -12.423 1.227 2.249 917 1HA GLY 121 HA2 GLY 121 -12.064 1.442 5.149 918 2HA GLY 121 HA3 GLY 121 -11.618 0.089 4.105 919 H TYR 122 H TYR 122 -10.355 2.548 5.976 920 HA TYR 122 HA TYR 122 -7.845 2.620 4.423 921 1HB TYR 122 HB2 TYR 122 -7.494 4.927 4.890 922 2HB TYR 122 HB3 TYR 122 -9.124 4.802 4.272 923 HD1 TYR 122 HD1 TYR 122 -11.019 5.231 5.870 924 HD2 TYR 122 HD2 TYR 122 -6.914 5.613 7.099 925 HE1 TYR 122 HE1 TYR 122 -11.732 6.514 7.888 926 HE2 TYR 122 HE2 TYR 122 -7.624 6.870 9.104 927 HH TYR 122 HH TYR 122 -11.059 7.612 9.771 928 H THR 123 H THR 123 -5.984 3.240 5.669 929 HA THR 123 HA THR 123 -5.937 2.958 8.538 930 HB THR 123 HB THR 123 -5.334 0.558 6.789 931 HG1 THR 123 HG1 THR 123 -7.199 0.902 8.187 932 1HG2 THR 123 HG23 THR 123 -3.865 1.235 9.361 933 2HG2 THR 123 HG21 THR 123 -4.098 -0.422 8.758 934 3HG2 THR 123 HG22 THR 123 -3.187 0.748 7.791 935 H ASP 124 H ASP 124 -4.474 4.462 8.952 936 HA ASP 124 HA ASP 124 -2.145 5.030 7.197 937 1HB ASP 124 HB2 ASP 124 -3.068 6.252 9.828 938 2HB ASP 124 HB3 ASP 124 -1.719 6.804 8.851 939 HD2 ASP 124 HD ASP 124 -2.387 7.627 6.603 940 H PHE 125 H PHE 125 -1.407 2.679 7.549 941 HA PHE 125 HA PHE 125 -0.735 1.996 10.313 942 1HB PHE 125 HB2 PHE 125 0.315 0.058 9.620 943 2HB PHE 125 HB3 PHE 125 -1.248 0.196 8.890 944 HD1 PHE 125 HD2 PHE 125 -1.364 0.651 6.321 945 HD2 PHE 125 HD1 PHE 125 2.371 -0.005 8.363 946 HE1 PHE 125 HE2 PHE 125 -0.479 -0.518 4.329 947 HE2 PHE 125 HE1 PHE 125 3.242 -1.214 6.377 948 HZ PHE 125 HZ PHE 125 1.811 -1.521 4.398 949 H THR 126 H THR 126 1.020 2.651 11.300 950 HA THR 126 HA THR 126 2.827 4.542 9.891 951 HB THR 126 HB THR 126 2.210 4.209 12.843 952 HG1 THR 126 HG1 THR 126 0.470 4.925 11.309 953 1HG2 THR 126 HG23 THR 126 3.592 6.421 11.265 954 2HG2 THR 126 HG21 THR 126 3.161 6.508 12.986 955 3HG2 THR 126 HG22 THR 126 4.383 5.343 12.440 956 H TRP 127 H TRP 127 4.937 4.083 9.558 957 HA TRP 127 HA TRP 127 6.312 2.079 11.255 958 1HB TRP 127 HB2 TRP 127 5.480 0.943 9.231 959 2HB TRP 127 HB3 TRP 127 6.133 2.223 8.215 960 HD1 TRP 127 HD1 TRP 127 8.143 0.368 10.913 961 HE1 TRP 127 HE1 TRP 127 10.012 -0.990 9.818 962 HE3 TRP 127 HE3 TRP 127 7.053 1.323 6.050 963 HZ2 TRP 127 HZ2 TRP 127 10.871 -1.650 7.080 964 HZ3 TRP 127 HZ3 TRP 127 8.421 0.367 4.216 965 HH2 TRP 127 HH2 TRP 127 10.247 -1.183 4.708 966 H HIS 128 H HIS 128 8.495 2.429 11.502 967 HA HIS 128 HA HIS 128 9.690 4.909 10.334 968 1HB HIS 128 HB2 HIS 128 10.136 3.620 13.045 969 2HB HIS 128 HB3 HIS 128 11.158 4.875 12.334 970 HD1 HIS 128 HD1 HIS 128 7.779 4.482 14.041 971 HD2 HIS 128 HD2 HIS 128 9.990 7.324 11.848 972 HE1 HIS 128 HE1 HIS 128 6.541 6.721 14.277 973 HE2 HIS 128 HE2 HIS 128 7.881 8.434 12.905 974 HA PRO 129 HA PRO 129 11.553 1.091 8.664 975 1HB PRO 129 HB2 PRO 129 12.277 1.875 6.259 976 2HB PRO 129 HB3 PRO 129 10.554 1.707 6.677 977 1HG PRO 129 HG2 PRO 129 12.158 4.278 6.701 978 2HG PRO 129 HG3 PRO 129 10.620 3.943 5.876 979 1HD PRO 129 HD2 PRO 129 10.755 5.062 8.365 980 2HD PRO 129 HD3 PRO 129 9.431 3.915 7.970 981 H THR 130 H THR 130 13.815 0.417 8.477 982 HA THR 130 HA THR 130 15.922 2.479 8.835 983 HB THR 130 HB THR 130 17.258 0.345 9.389 984 HG1 THR 130 HG1 THR 130 15.939 -1.455 9.891 985 1HG2 THR 130 HG22 THR 130 16.371 1.861 11.165 986 2HG2 THR 130 HG23 THR 130 14.832 0.977 11.145 987 3HG2 THR 130 HG21 THR 130 16.319 0.162 11.674 988 H ALA 131 H ALA 131 17.832 2.252 7.456 989 HA ALA 131 HA ALA 131 17.137 2.324 4.797 990 1HB ALA 131 HB2 ALA 131 19.132 3.393 5.718 991 2HB ALA 131 HB3 ALA 131 19.900 1.800 5.931 992 3HB ALA 131 HB1 ALA 131 19.529 2.403 4.300 993 H GLY 132 H GLY 132 17.221 1.032 3.021 994 1HA GLY 132 HA2 GLY 132 18.424 -0.920 2.025 995 2HA GLY 132 HA3 GLY 132 17.686 -1.905 3.323 996 H THR 133 H THR 133 17.098 -2.821 0.982 997 HA THR 133 HA THR 133 14.772 -1.491 -0.225 998 HB THR 133 HB THR 133 16.331 -3.916 -1.155 999 HG1 THR 133 HG1 THR 133 17.363 -2.361 -2.470 1000 1HG2 THR 133 HG23 THR 133 14.418 -2.004 -2.582 1001 2HG2 THR 133 HG21 THR 133 15.346 -3.307 -3.357 1002 3HG2 THR 133 HG22 THR 133 14.081 -3.697 -2.181 1003 H TYR 134 H TYR 134 12.834 -2.009 0.671 1004 HA TYR 134 HA TYR 134 12.304 -4.849 1.451 1005 1HB TYR 134 HB2 TYR 134 10.552 -2.494 2.140 1006 2HB TYR 134 HB3 TYR 134 10.447 -4.141 2.717 1007 HD1 TYR 134 HD1 TYR 134 12.700 -1.144 2.716 1008 HD2 TYR 134 HD2 TYR 134 11.377 -4.661 4.832 1009 HE1 TYR 134 HE1 TYR 134 14.042 -0.478 4.645 1010 HE2 TYR 134 HE2 TYR 134 12.711 -3.954 6.805 1011 HH TYR 134 HH TYR 134 14.708 -0.998 6.801 1012 H TYR 135 H TYR 135 9.916 -5.462 0.913 1013 HA TYR 135 HA TYR 135 9.075 -4.236 -1.605 1014 1HB TYR 135 HB2 TYR 135 9.278 -7.204 -1.067 1015 2HB TYR 135 HB3 TYR 135 8.512 -6.475 -2.476 1016 HD1 TYR 135 HD2 TYR 135 11.774 -6.908 -0.726 1017 HD2 TYR 135 HD1 TYR 135 9.815 -5.792 -4.381 1018 HE1 TYR 135 HE2 TYR 135 13.985 -6.688 -1.825 1019 HE2 TYR 135 HE1 TYR 135 12.018 -5.712 -5.528 1020 HH TYR 135 HH TYR 135 14.307 -5.845 -5.285 1021 H TYR 136 H TYR 136 6.782 -4.194 -1.835 1022 HA TYR 136 HA TYR 136 5.243 -5.001 0.607 1023 1HB TYR 136 HB2 TYR 136 3.555 -3.455 -0.058 1024 2HB TYR 136 HB3 TYR 136 5.089 -2.651 0.274 1025 HD1 TYR 136 HD1 TYR 136 2.565 -3.439 -2.319 1026 HD2 TYR 136 HD2 TYR 136 6.315 -1.488 -1.484 1027 HE1 TYR 136 HE1 TYR 136 2.312 -2.037 -4.375 1028 HE2 TYR 136 HE2 TYR 136 6.003 -0.044 -3.468 1029 HH TYR 136 HH TYR 136 4.782 0.244 -5.417 1030 H VAL 137 H VAL 137 3.507 -6.396 0.373 1031 HA VAL 137 HA VAL 137 2.578 -7.115 -2.340 1032 HB VAL 137 HB VAL 137 2.757 -9.559 -1.712 1033 1HG1 VAL 137 HG12 VAL 137 4.199 -8.636 -3.398 1034 2HG1 VAL 137 HG13 VAL 137 5.406 -8.159 -2.166 1035 3HG1 VAL 137 HG11 VAL 137 5.015 -9.864 -2.430 1036 1HG2 VAL 137 HG23 VAL 137 3.326 -9.089 0.771 1037 2HG2 VAL 137 HG21 VAL 137 4.381 -10.259 -0.037 1038 3HG2 VAL 137 HG22 VAL 137 4.936 -8.601 0.236 1039 H CYS 138 H CYS 138 0.664 -8.252 -2.400 1040 HA CYS 138 HA CYS 138 -1.213 -7.948 -0.122 1041 1HB CYS 138 HB2 CYS 138 -1.951 -7.104 -2.276 1042 2HB CYS 138 HB3 CYS 138 -1.441 -8.610 -3.060 1043 H GLN 139 H GLN 139 -1.813 -9.694 1.054 1044 HA GLN 139 HA GLN 139 -0.510 -12.242 0.639 1045 1HB GLN 139 HB2 GLN 139 -2.331 -11.088 2.775 1046 2HB GLN 139 HB3 GLN 139 -1.810 -12.761 2.807 1047 1HG GLN 139 HG2 GLN 139 -0.395 -11.190 4.178 1048 2HG GLN 139 HG3 GLN 139 0.419 -12.273 3.046 1049 1HE2 GLN 139 HE21 GLN 139 0.469 -8.306 1.933 1050 2HE2 GLN 139 HE22 GLN 139 -0.966 -8.886 2.781 1051 H ILE 140 H ILE 140 -3.295 -11.239 -0.869 1052 HA ILE 140 HA ILE 140 -4.886 -13.653 -0.523 1053 HB ILE 140 HB ILE 140 -4.796 -11.652 -2.782 1054 1HG1 ILE 140 HG12 ILE 140 -5.428 -10.559 -0.701 1055 2HG1 ILE 140 HG13 ILE 140 -6.762 -10.596 -1.850 1056 1HG2 ILE 140 HG22 ILE 140 -5.811 -13.732 -3.555 1057 2HG2 ILE 140 HG23 ILE 140 -6.918 -13.743 -2.168 1058 3HG2 ILE 140 HG21 ILE 140 -7.025 -12.476 -3.404 1059 1HD1 ILE 140 HD13 ILE 140 -6.468 -12.437 0.564 1060 2HD1 ILE 140 HD11 ILE 140 -7.483 -10.991 0.465 1061 3HD1 ILE 140 HD12 ILE 140 -7.848 -12.392 -0.556 1062 HA PRO 141 HA PRO 141 -2.101 -16.284 -2.865 1063 1HB PRO 141 HB2 PRO 141 -4.710 -17.412 -3.920 1064 2HB PRO 141 HB3 PRO 141 -3.245 -18.309 -3.424 1065 1HG PRO 141 HG2 PRO 141 -5.355 -18.105 -1.726 1066 2HG PRO 141 HG3 PRO 141 -3.700 -17.868 -1.101 1067 1HD PRO 141 HD2 PRO 141 -5.755 -15.773 -1.788 1068 2HD PRO 141 HD3 PRO 141 -4.602 -15.842 -0.418 1069 H GLY 142 H GLY 142 -1.251 -16.360 -4.955 1070 1HA GLY 142 HA2 GLY 142 -1.010 -15.947 -7.205 1071 2HA GLY 142 HA3 GLY 142 -2.733 -15.580 -7.312 1072 H HIS 143 H HIS 143 -2.885 -13.382 -5.542 1073 HA HIS 143 HA HIS 143 -2.512 -11.273 -7.260 1074 1HB HIS 143 HB2 HIS 143 -2.666 -11.322 -4.241 1075 2HB HIS 143 HB3 HIS 143 -2.626 -9.848 -5.184 1076 HD2 HIS 143 HD2 HIS 143 -4.725 -12.655 -6.761 1077 HE1 HIS 143 HE1 HIS 143 -7.460 -9.889 -5.053 1078 HE2 HIS 143 HE2 HIS 143 -7.219 -11.932 -6.541 1079 H ALA 144 H ALA 144 -0.189 -11.989 -4.576 1080 HA ALA 144 HA ALA 144 1.672 -9.934 -5.159 1081 1HB ALA 144 HB2 ALA 144 1.740 -11.295 -3.120 1082 2HB ALA 144 HB3 ALA 144 2.343 -12.681 -4.063 1083 3HB ALA 144 HB1 ALA 144 3.297 -11.184 -3.961 1084 H ALA 145 H ALA 145 1.553 -13.341 -6.273 1085 HA ALA 145 HA ALA 145 3.925 -13.346 -7.830 1086 1HB ALA 145 HB3 ALA 145 2.772 -15.380 -6.962 1087 2HB ALA 145 HB1 ALA 145 1.454 -15.120 -8.116 1088 3HB ALA 145 HB2 ALA 145 3.091 -15.470 -8.698 1089 H THR 146 H THR 146 0.565 -12.627 -8.680 1090 HA THR 146 HA THR 146 1.103 -12.556 -11.531 1091 HB THR 146 HB THR 146 -1.267 -11.702 -11.652 1092 HG1 THR 146 HG1 THR 146 -1.257 -12.343 -8.890 1093 1HG2 THR 146 HG23 THR 146 -0.759 -14.315 -10.155 1094 2HG2 THR 146 HG21 THR 146 -2.260 -13.877 -10.998 1095 3HG2 THR 146 HG22 THR 146 -0.754 -14.083 -11.912 1096 H GLY 147 H GLY 147 0.804 -10.008 -8.950 1097 1HA GLY 147 HA2 GLY 147 2.519 -8.373 -10.455 1098 2HA GLY 147 HA3 GLY 147 0.894 -7.916 -10.973 1099 H MET 148 H MET 148 0.004 -8.354 -7.883 1100 HA MET 148 HA MET 148 0.474 -5.470 -7.602 1101 1HB MET 148 HB2 MET 148 -1.097 -5.225 -6.074 1102 2HB MET 148 HB3 MET 148 -1.724 -6.212 -7.390 1103 1HG MET 148 HG2 MET 148 -1.383 -8.190 -5.809 1104 2HG MET 148 HG3 MET 148 -1.105 -6.984 -4.540 1105 1HE MET 148 HE2 MET 148 -3.090 -4.627 -5.506 1106 2HE MET 148 HE3 MET 148 -4.598 -5.020 -4.670 1107 3HE MET 148 HE1 MET 148 -3.058 -5.160 -3.808 1108 H PHE 149 H PHE 149 2.551 -5.091 -7.140 1109 HA PHE 149 HA PHE 149 3.283 -5.330 -4.373 1110 1HB PHE 149 HB2 PHE 149 5.023 -6.899 -4.523 1111 2HB PHE 149 HB3 PHE 149 3.925 -7.544 -5.702 1112 HD1 PHE 149 HD2 PHE 149 4.320 -6.660 -8.219 1113 HD2 PHE 149 HD1 PHE 149 7.269 -6.442 -5.080 1114 HE1 PHE 149 HE2 PHE 149 6.098 -6.355 -9.908 1115 HE2 PHE 149 HE1 PHE 149 9.044 -6.151 -6.774 1116 HZ PHE 149 HZ PHE 149 8.466 -6.099 -9.196 1117 H GLY 150 H GLY 150 5.847 -4.508 -4.357 1118 1HA GLY 150 HA2 GLY 150 6.968 -2.985 -6.430 1119 2HA GLY 150 HA3 GLY 150 5.996 -1.868 -5.485 1120 H LYS 151 H LYS 151 8.609 -1.415 -5.465 1121 HA LYS 151 HA LYS 151 9.891 -2.866 -3.216 1122 1HB LYS 151 HB2 LYS 151 11.429 -1.124 -5.093 1123 2HB LYS 151 HB3 LYS 151 11.915 -2.567 -4.215 1124 1HG LYS 151 HG2 LYS 151 10.492 -3.922 -5.809 1125 2HG LYS 151 HG3 LYS 151 10.134 -2.436 -6.699 1126 1HD LYS 151 HD2 LYS 151 12.507 -2.036 -7.130 1127 2HD LYS 151 HD3 LYS 151 12.942 -3.526 -6.268 1128 1HE LYS 151 HE2 LYS 151 11.594 -4.842 -7.926 1129 2HE LYS 151 HE3 LYS 151 11.169 -3.333 -8.759 1130 1HZ LYS 151 HZ1 LYS 151 13.482 -2.995 -9.210 1131 2HZ LYS 151 HZ2 LYS 151 13.888 -4.395 -8.443 1132 3HZ LYS 151 HZ3 LYS 151 12.979 -4.442 -9.817 1133 H ILE 152 H ILE 152 10.873 -1.676 -1.563 1134 HA ILE 152 HA ILE 152 10.247 1.246 -1.362 1135 HB ILE 152 HB ILE 152 10.428 -0.763 0.906 1136 1HG1 ILE 152 HG12 ILE 152 7.970 0.171 -0.599 1137 2HG1 ILE 152 HG13 ILE 152 8.533 -1.491 -0.283 1138 1HG2 ILE 152 HG22 ILE 152 10.888 1.723 1.300 1139 2HG2 ILE 152 HG23 ILE 152 9.192 1.991 0.849 1140 3HG2 ILE 152 HG21 ILE 152 9.615 1.012 2.283 1141 1HD1 ILE 152 HD11 ILE 152 8.238 -1.029 2.173 1142 2HD1 ILE 152 HD12 ILE 152 7.363 0.452 1.724 1143 3HD1 ILE 152 HD13 ILE 152 6.742 -1.126 1.213 1144 H VAL 153 H VAL 153 12.289 2.030 -1.988 1145 HA VAL 153 HA VAL 153 14.708 0.766 -0.820 1146 HB VAL 153 HB VAL 153 14.581 3.161 -2.612 1147 1HG1 VAL 153 HG11 VAL 153 16.726 2.611 -1.382 1148 2HG1 VAL 153 HG12 VAL 153 16.713 1.001 -2.090 1149 3HG1 VAL 153 HG13 VAL 153 16.915 2.428 -3.135 1150 1HG2 VAL 153 HG23 VAL 153 14.731 0.206 -3.391 1151 2HG2 VAL 153 HG21 VAL 153 13.432 1.330 -3.841 1152 3HG2 VAL 153 HG22 VAL 153 15.056 1.549 -4.506 1153 H VAL 154 H VAL 154 14.796 1.310 1.297 1154 HA VAL 154 HA VAL 154 14.239 4.080 2.176 1155 HB VAL 154 HB VAL 154 15.060 1.625 3.760 1156 1HG1 VAL 154 HG12 VAL 154 15.425 3.855 4.850 1157 2HG1 VAL 154 HG13 VAL 154 13.714 4.231 4.593 1158 3HG1 VAL 154 HG11 VAL 154 14.191 2.902 5.669 1159 1HG2 VAL 154 HG21 VAL 154 12.900 1.232 2.563 1160 2HG2 VAL 154 HG22 VAL 154 12.691 1.369 4.291 1161 3HG2 VAL 154 HG23 VAL 154 12.267 2.742 3.254 1162 H LYS 155 H LYS 155 15.951 5.564 2.382 1163 HA LYS 155 HA LYS 155 18.726 4.502 2.712 1164 1HB LYS 155 HB2 LYS 155 17.933 6.612 0.667 1165 2HB LYS 155 HB3 LYS 155 19.558 5.963 0.969 1166 1HG LYS 155 HG2 LYS 155 18.693 3.688 0.276 1167 2HG LYS 155 HG3 LYS 155 17.179 4.465 -0.202 1168 1HD LYS 155 HD2 LYS 155 19.954 5.066 -1.334 1169 2HD LYS 155 HD3 LYS 155 18.714 4.095 -2.125 1170 1HE LYS 155 HE2 LYS 155 18.528 7.079 -1.504 1171 2HE LYS 155 HE3 LYS 155 18.775 6.339 -3.086 1172 1HZ LYS 155 HZ3 LYS 155 16.383 5.966 -1.428 1173 2HZ LYS 155 HZ1 LYS 155 16.515 6.978 -2.721 1174 3HZ LYS 155 HZ2 LYS 155 16.621 5.355 -2.945 No H/Q in entry = 1174 Start of MODEL 13 1 H GLY 1 H GLY 1 -1.367 -14.730 13.162 2 1HA GLY 1 HA2 GLY 1 -0.373 -13.061 10.896 3 2HA GLY 1 HA3 GLY 1 -1.771 -14.143 10.741 4 H THR 2 H THR 2 -0.832 -12.020 13.483 5 HA THR 2 HA THR 2 -3.476 -10.902 13.799 6 HB THR 2 HB THR 2 -2.071 -9.424 15.414 7 HG1 THR 2 HG1 THR 2 0.042 -10.318 15.753 8 1HG2 THR 2 HG21 THR 2 -1.916 -12.468 15.708 9 2HG2 THR 2 HG22 THR 2 -1.758 -11.280 17.019 10 3HG2 THR 2 HG23 THR 2 -3.299 -11.450 16.164 11 H LEU 3 H LEU 3 -0.329 -9.469 13.062 12 HA LEU 3 HA LEU 3 0.350 -7.594 11.922 13 1HB LEU 3 HB2 LEU 3 -1.705 -8.953 10.268 14 2HB LEU 3 HB3 LEU 3 -1.273 -7.342 9.719 15 HG LEU 3 HG LEU 3 0.967 -7.984 9.280 16 1HD1 LEU 3 HD13 LEU 3 0.435 -10.509 10.881 17 2HD1 LEU 3 HD11 LEU 3 1.865 -10.253 9.853 18 3HD1 LEU 3 HD12 LEU 3 1.618 -9.224 11.259 19 1HD2 LEU 3 HD21 LEU 3 -0.827 -8.951 7.756 20 2HD2 LEU 3 HD22 LEU 3 0.702 -9.851 7.741 21 3HD2 LEU 3 HD23 LEU 3 -0.695 -10.470 8.646 22 H ASP 4 H ASP 4 -0.527 -5.475 10.721 23 HA ASP 4 HA ASP 4 -1.818 -3.996 12.862 24 1HB ASP 4 HB2 ASP 4 -0.134 -2.911 11.464 25 2HB ASP 4 HB3 ASP 4 -1.117 -3.178 10.016 26 HD2 ASP 4 HD ASP 4 -2.126 -0.334 12.640 27 H THR 5 H THR 5 -3.981 -3.875 13.192 28 HA THR 5 HA THR 5 -5.843 -4.204 10.873 29 HB THR 5 HB THR 5 -7.434 -5.058 12.572 30 HG1 THR 5 HG1 THR 5 -6.641 -4.105 14.408 31 1HG2 THR 5 HG23 THR 5 -5.979 -6.661 11.321 32 2HG2 THR 5 HG21 THR 5 -4.794 -6.591 12.642 33 3HG2 THR 5 HG22 THR 5 -6.413 -7.234 12.944 34 H THR 6 H THR 6 -4.574 -1.679 11.462 35 HA THR 6 HA THR 6 -6.458 -0.134 13.086 36 HB THR 6 HB THR 6 -4.158 0.914 11.328 37 HG1 THR 6 HG1 THR 6 -4.209 -0.005 14.013 38 1HG2 THR 6 HG21 THR 6 -5.620 1.952 13.809 39 2HG2 THR 6 HG22 THR 6 -4.242 2.739 12.999 40 3HG2 THR 6 HG23 THR 6 -5.805 2.592 12.169 41 H TRP 7 H TRP 7 -8.128 -1.183 11.627 42 HA TRP 7 HA TRP 7 -8.515 0.104 8.966 43 1HB TRP 7 HB2 TRP 7 -9.710 -2.363 10.268 44 2HB TRP 7 HB3 TRP 7 -10.303 -1.667 8.765 45 HD1 TRP 7 HD1 TRP 7 -8.046 -4.278 9.857 46 HE1 TRP 7 HE1 TRP 7 -6.473 -5.034 7.950 47 HE3 TRP 7 HE3 TRP 7 -8.881 -0.483 6.521 48 HZ2 TRP 7 HZ2 TRP 7 -5.591 -4.054 5.420 49 HZ3 TRP 7 HZ3 TRP 7 -7.367 -0.245 4.566 50 HH2 TRP 7 HH2 TRP 7 -5.991 -2.168 3.839 51 H LYS 8 H LYS 8 -10.072 1.519 8.572 52 HA LYS 8 HA LYS 8 -12.547 1.608 10.133 53 1HB LYS 8 HB2 LYS 8 -10.755 4.049 9.677 54 2HB LYS 8 HB3 LYS 8 -12.373 4.109 10.388 55 1HG LYS 8 HG2 LYS 8 -9.950 2.755 11.649 56 2HG LYS 8 HG3 LYS 8 -10.521 4.384 12.000 57 1HD LYS 8 HD2 LYS 8 -12.635 3.552 12.893 58 2HD LYS 8 HD3 LYS 8 -12.250 1.900 12.391 59 1HE LYS 8 HE2 LYS 8 -11.849 2.162 14.783 60 2HE LYS 8 HE3 LYS 8 -10.348 1.798 13.922 61 1HZ LYS 8 HZ2 LYS 8 -11.214 4.473 14.789 62 2HZ LYS 8 HZ3 LYS 8 -10.083 3.540 15.540 63 3HZ LYS 8 HZ1 LYS 8 -9.796 4.119 14.026 64 H GLU 9 H GLU 9 -13.725 3.773 8.764 65 HA GLU 9 HA GLU 9 -12.952 3.463 5.944 66 1HB GLU 9 HB2 GLU 9 -15.891 3.437 6.518 67 2HB GLU 9 HB3 GLU 9 -14.988 3.045 5.054 68 1HG GLU 9 HG2 GLU 9 -14.066 0.992 6.443 69 2HG GLU 9 HG3 GLU 9 -15.318 1.391 7.615 70 HE2 GLU 9 HE GLU 9 -16.589 -1.164 5.382 71 H ALA 10 H ALA 10 -12.860 5.326 4.945 72 HA ALA 10 HA ALA 10 -13.927 7.816 6.167 73 1HB ALA 10 HB2 ALA 10 -11.518 7.613 5.319 74 2HB ALA 10 HB3 ALA 10 -12.184 7.435 3.683 75 3HB ALA 10 HB1 ALA 10 -12.446 8.924 4.614 76 H THR 11 H THR 11 -14.363 9.077 3.541 77 HA THR 11 HA THR 11 -16.271 7.313 2.139 78 HB THR 11 HB THR 11 -17.952 9.059 2.092 79 HG1 THR 11 HG1 THR 11 -16.273 10.388 3.992 80 1HG2 THR 11 HG23 THR 11 -18.096 7.401 3.926 81 2HG2 THR 11 HG21 THR 11 -17.197 8.503 4.991 82 3HG2 THR 11 HG22 THR 11 -18.781 8.976 4.362 83 H LEU 12 H LEU 12 -16.885 8.272 -0.006 84 HA LEU 12 HA LEU 12 -14.796 8.455 -1.589 85 1HB LEU 12 HB2 LEU 12 -17.112 8.268 -2.322 86 2HB LEU 12 HB3 LEU 12 -17.326 10.000 -2.207 87 HG LEU 12 HG LEU 12 -14.971 9.127 -3.825 88 1HD1 LEU 12 HD12 LEU 12 -17.832 8.691 -4.788 89 2HD1 LEU 12 HD13 LEU 12 -16.368 8.579 -5.789 90 3HD1 LEU 12 HD11 LEU 12 -16.630 7.421 -4.476 91 1HD2 LEU 12 HD22 LEU 12 -17.223 11.128 -4.321 92 2HD2 LEU 12 HD23 LEU 12 -15.617 11.521 -3.675 93 3HD2 LEU 12 HD21 LEU 12 -15.781 10.909 -5.326 94 HA PRO 13 HA PRO 13 -14.270 13.188 -1.918 95 1HB PRO 13 HB2 PRO 13 -15.114 14.113 0.828 96 2HB PRO 13 HB3 PRO 13 -15.283 14.962 -0.733 97 1HG PRO 13 HG2 PRO 13 -17.441 13.779 0.416 98 2HG PRO 13 HG3 PRO 13 -17.157 13.587 -1.341 99 1HD PRO 13 HD2 PRO 13 -16.387 11.675 0.884 100 2HD PRO 13 HD3 PRO 13 -17.310 11.331 -0.591 101 H GLN 14 H GLN 14 -13.902 11.434 1.140 102 HA GLN 14 HA GLN 14 -11.596 12.840 2.110 103 1HB GLN 14 HB2 GLN 14 -12.550 10.084 2.811 104 2HB GLN 14 HB3 GLN 14 -11.416 11.122 3.709 105 1HG GLN 14 HG2 GLN 14 -13.166 12.865 3.998 106 2HG GLN 14 HG3 GLN 14 -14.342 11.841 3.167 107 1HE2 GLN 14 HE21 GLN 14 -13.232 10.859 7.007 108 2HE2 GLN 14 HE22 GLN 14 -12.164 11.864 6.046 109 H VAL 15 H VAL 15 -12.137 10.158 -0.178 110 HA VAL 15 HA VAL 15 -9.451 9.133 -0.149 111 HB VAL 15 HB VAL 15 -11.293 9.299 -2.566 112 1HG1 VAL 15 HG12 VAL 15 -9.054 7.371 -1.826 113 2HG1 VAL 15 HG13 VAL 15 -10.096 7.253 -3.259 114 3HG1 VAL 15 HG11 VAL 15 -8.991 8.618 -3.087 115 1HG2 VAL 15 HG21 VAL 15 -11.203 7.173 -0.388 116 2HG2 VAL 15 HG22 VAL 15 -12.565 8.251 -0.720 117 3HG2 VAL 15 HG23 VAL 15 -12.088 7.066 -1.932 118 H LYS 16 H LYS 16 -11.050 11.684 -2.065 119 HA LYS 16 HA LYS 16 -8.753 12.542 -3.545 120 1HB LYS 16 HB2 LYS 16 -11.196 14.161 -2.722 121 2HB LYS 16 HB3 LYS 16 -10.025 14.563 -3.982 122 1HG LYS 16 HG2 LYS 16 -10.648 12.495 -5.220 123 2HG LYS 16 HG3 LYS 16 -11.859 12.114 -3.979 124 1HD LYS 16 HD2 LYS 16 -13.026 14.249 -4.440 125 2HD LYS 16 HD3 LYS 16 -11.834 14.633 -5.699 126 1HE LYS 16 HE2 LYS 16 -12.495 12.603 -6.962 127 2HE LYS 16 HE3 LYS 16 -13.657 12.178 -5.691 128 1HZ LYS 16 HZ2 LYS 16 -13.748 14.601 -7.344 129 2HZ LYS 16 HZ3 LYS 16 -14.704 13.271 -7.520 130 3HZ LYS 16 HZ1 LYS 16 -14.827 14.200 -6.164 131 H ALA 17 H ALA 17 -10.243 13.709 -0.495 132 HA ALA 17 HA ALA 17 -8.500 15.764 0.125 133 1HB ALA 17 HB2 ALA 17 -10.535 15.108 1.442 134 2HB ALA 17 HB3 ALA 17 -9.575 13.814 2.201 135 3HB ALA 17 HB1 ALA 17 -9.115 15.504 2.427 136 H MET 18 H MET 18 -8.020 12.309 1.187 137 HA MET 18 HA MET 18 -5.408 12.873 2.208 138 1HB MET 18 HB2 MET 18 -6.756 10.260 1.427 139 2HB MET 18 HB3 MET 18 -5.074 10.350 1.945 140 1HG MET 18 HG2 MET 18 -6.100 9.886 3.948 141 2HG MET 18 HG3 MET 18 -5.874 11.623 4.025 142 1HE MET 18 HE1 MET 18 -8.250 8.610 3.817 143 2HE MET 18 HE2 MET 18 -9.848 9.337 3.554 144 3HE MET 18 HE3 MET 18 -8.636 9.361 2.257 145 H LEU 19 H LEU 19 -6.415 11.637 -1.048 146 HA LEU 19 HA LEU 19 -3.849 11.117 -2.071 147 1HB LEU 19 HB2 LEU 19 -6.347 12.220 -3.384 148 2HB LEU 19 HB3 LEU 19 -4.880 11.928 -4.309 149 HG LEU 19 HG LEU 19 -6.161 9.723 -2.651 150 1HD1 LEU 19 HD12 LEU 19 -6.639 10.453 -5.579 151 2HD1 LEU 19 HD13 LEU 19 -7.191 8.961 -4.789 152 3HD1 LEU 19 HD11 LEU 19 -7.839 10.525 -4.271 153 1HD2 LEU 19 HD23 LEU 19 -3.795 9.356 -3.407 154 2HD2 LEU 19 HD21 LEU 19 -4.928 8.268 -4.215 155 3HD2 LEU 19 HD22 LEU 19 -4.305 9.691 -5.074 156 H GLU 20 H GLU 20 -5.501 14.288 -1.965 157 HA GLU 20 HA GLU 20 -3.452 15.754 -3.252 158 1HB GLU 20 HB2 GLU 20 -5.383 16.610 -1.052 159 2HB GLU 20 HB3 GLU 20 -4.376 17.722 -1.986 160 1HG GLU 20 HG2 GLU 20 -6.509 15.891 -3.187 161 2HG GLU 20 HG3 GLU 20 -6.678 17.620 -2.879 162 HE1 GLU 20 HE GLU 20 -4.195 18.287 -5.449 163 H LYS 21 H LYS 21 -3.266 14.274 -0.085 164 HA LYS 21 HA LYS 21 -1.112 16.148 0.761 165 1HB LYS 21 HB2 LYS 21 -2.360 13.871 2.308 166 2HB LYS 21 HB3 LYS 21 -1.361 15.174 2.941 167 1HG LYS 21 HG2 LYS 21 -4.210 15.285 1.911 168 2HG LYS 21 HG3 LYS 21 -3.656 15.565 3.554 169 1HD LYS 21 HD2 LYS 21 -3.174 17.360 1.133 170 2HD LYS 21 HD3 LYS 21 -4.289 17.646 2.470 171 1HE LYS 21 HE2 LYS 21 -2.357 17.735 4.059 172 2HE LYS 21 HE3 LYS 21 -1.239 17.489 2.704 173 1HZ LYS 21 HZ1 LYS 21 -3.071 19.759 2.989 174 2HZ LYS 21 HZ2 LYS 21 -1.447 19.780 3.264 175 3HZ LYS 21 HZ3 LYS 21 -2.020 19.512 1.743 176 H ASP 22 H ASP 22 -1.101 13.537 -1.262 177 HA ASP 22 HA ASP 22 0.867 11.887 0.093 178 1HB ASP 22 HB2 ASP 22 -0.628 11.115 -1.784 179 2HB ASP 22 HB3 ASP 22 0.397 12.036 -2.897 180 HD1 ASP 22 HD ASP 22 3.173 9.855 -2.263 181 H THR 23 H THR 23 2.940 12.585 0.575 182 HA THR 23 HA THR 23 4.092 14.868 -0.766 183 HB THR 23 HB THR 23 5.893 14.274 1.046 184 HG1 THR 23 HG1 THR 23 5.283 12.784 2.499 185 1HG2 THR 23 HG22 THR 23 4.199 16.067 1.303 186 2HG2 THR 23 HG23 THR 23 3.018 14.869 1.879 187 3HG2 THR 23 HG21 THR 23 4.480 15.206 2.826 188 H GLY 24 H GLY 24 3.941 12.027 -2.200 189 1HA GLY 24 HA2 GLY 24 6.799 11.351 -2.546 190 2HA GLY 24 HA3 GLY 24 5.372 10.569 -3.198 191 H LYS 25 H LYS 25 7.996 12.532 -3.887 192 HA LYS 25 HA LYS 25 6.944 14.109 -6.082 193 1HB LYS 25 HB2 LYS 25 9.747 13.409 -5.148 194 2HB LYS 25 HB3 LYS 25 9.388 14.600 -6.401 195 1HG LYS 25 HG2 LYS 25 8.610 16.175 -4.908 196 2HG LYS 25 HG3 LYS 25 7.930 14.986 -3.801 197 1HD LYS 25 HD2 LYS 25 9.777 16.126 -2.739 198 2HD LYS 25 HD3 LYS 25 10.122 14.403 -2.921 199 1HE LYS 25 HE2 LYS 25 11.595 14.854 -4.837 200 2HE LYS 25 HE3 LYS 25 11.164 16.574 -4.807 201 1HZ LYS 25 HZ3 LYS 25 12.468 15.156 -2.583 202 2HZ LYS 25 HZ1 LYS 25 13.262 16.058 -3.718 203 3HZ LYS 25 HZ2 LYS 25 12.181 16.767 -2.696 204 H VAL 26 H VAL 26 6.545 13.321 -8.052 205 HA VAL 26 HA VAL 26 6.972 10.670 -8.904 206 HB VAL 26 HB VAL 26 6.466 13.223 -10.496 207 1HG1 VAL 26 HG13 VAL 26 6.293 10.298 -11.323 208 2HG1 VAL 26 HG11 VAL 26 5.576 11.639 -12.241 209 3HG1 VAL 26 HG12 VAL 26 7.328 11.549 -12.037 210 1HG2 VAL 26 HG22 VAL 26 4.612 11.058 -9.408 211 2HG2 VAL 26 HG23 VAL 26 4.677 12.748 -8.871 212 3HG2 VAL 26 HG21 VAL 26 4.116 12.371 -10.501 213 H SER 27 H SER 27 8.752 9.655 -9.557 214 HA SER 27 HA SER 27 11.113 11.149 -10.609 215 1HB SER 27 HB2 SER 27 11.111 8.881 -8.577 216 2HB SER 27 HB3 SER 27 12.507 9.793 -9.168 217 HG SER 27 HG SER 27 10.291 10.943 -7.751 218 H GLY 28 H GLY 28 9.800 10.378 -12.587 219 1HA GLY 28 HA2 GLY 28 9.721 8.991 -14.433 220 2HA GLY 28 HA3 GLY 28 10.992 7.981 -13.713 221 H ASP 29 H ASP 29 10.285 5.949 -13.148 222 HA ASP 29 HA ASP 29 7.416 5.298 -12.846 223 1HB ASP 29 HB2 ASP 29 8.828 3.583 -13.851 224 2HB ASP 29 HB3 ASP 29 9.988 3.684 -12.509 225 HD1 ASP 29 HD ASP 29 6.553 1.679 -11.961 226 H THR 30 H THR 30 10.263 5.991 -10.872 227 HA THR 30 HA THR 30 9.175 4.814 -8.478 228 HB THR 30 HB THR 30 11.655 6.506 -9.046 229 HG1 THR 30 HG1 THR 30 12.674 4.557 -9.311 230 1HG2 THR 30 HG23 THR 30 11.261 6.375 -6.601 231 2HG2 THR 30 HG21 THR 30 11.329 4.599 -6.730 232 3HG2 THR 30 HG22 THR 30 12.725 5.570 -7.190 233 H VAL 31 H VAL 31 8.820 6.052 -6.516 234 HA VAL 31 HA VAL 31 8.040 8.915 -6.887 235 HB VAL 31 HB VAL 31 6.661 6.659 -5.380 236 1HG1 VAL 31 HG12 VAL 31 6.823 8.660 -3.897 237 2HG1 VAL 31 HG13 VAL 31 6.108 9.634 -5.207 238 3HG1 VAL 31 HG11 VAL 31 5.168 8.339 -4.417 239 1HG2 VAL 31 HG23 VAL 31 5.636 8.664 -7.461 240 2HG2 VAL 31 HG21 VAL 31 5.963 6.946 -7.745 241 3HG2 VAL 31 HG22 VAL 31 4.654 7.435 -6.659 242 H THR 32 H THR 32 9.079 10.262 -5.388 243 HA THR 32 HA THR 32 10.916 8.894 -3.459 244 HB THR 32 HB THR 32 11.428 11.345 -5.184 245 HG1 THR 32 HG1 THR 32 11.939 9.866 -6.529 246 1HG2 THR 32 HG23 THR 32 13.188 9.883 -3.164 247 2HG2 THR 32 HG21 THR 32 13.772 11.079 -4.341 248 3HG2 THR 32 HG22 THR 32 12.629 11.566 -3.081 249 H TYR 33 H TYR 33 10.729 9.503 -1.419 250 HA TYR 33 HA TYR 33 9.016 11.877 -0.785 251 1HB TYR 33 HB2 TYR 33 9.865 9.396 0.703 252 2HB TYR 33 HB3 TYR 33 9.098 10.769 1.515 253 HD1 TYR 33 HD1 TYR 33 6.836 11.520 0.938 254 HD2 TYR 33 HD2 TYR 33 8.499 7.979 -0.865 255 HE1 TYR 33 HE1 TYR 33 4.567 10.780 0.291 256 HE2 TYR 33 HE2 TYR 33 6.227 7.321 -1.632 257 HH TYR 33 HH TYR 33 3.330 8.990 -0.488 258 H SER 34 H SER 34 9.819 12.898 1.461 259 HA SER 34 HA SER 34 12.712 13.221 1.635 260 1HB SER 34 HB2 SER 34 10.931 15.483 0.611 261 2HB SER 34 HB3 SER 34 12.630 15.649 1.081 262 HG SER 34 HG SER 34 12.510 13.640 -0.635 263 H GLY 35 H GLY 35 13.220 14.915 3.286 264 1HA GLY 35 HA2 GLY 35 13.131 15.549 5.481 265 2HA GLY 35 HA3 GLY 35 11.595 16.269 4.976 266 H LYS 36 H LYS 36 12.557 12.836 5.444 267 HA LYS 36 HA LYS 36 11.537 11.113 6.361 268 1HB LYS 36 HB2 LYS 36 11.614 13.168 8.603 269 2HB LYS 36 HB3 LYS 36 11.194 11.480 8.840 270 1HG LYS 36 HG2 LYS 36 13.346 10.752 7.849 271 2HG LYS 36 HG3 LYS 36 13.824 12.457 7.683 272 1HD LYS 36 HD2 LYS 36 13.759 12.759 10.107 273 2HD LYS 36 HD3 LYS 36 13.006 11.170 10.332 274 1HE LYS 36 HE2 LYS 36 15.398 11.106 10.905 275 2HE LYS 36 HE3 LYS 36 15.004 10.016 9.569 276 1HZ LYS 36 HZ1 LYS 36 16.197 12.686 9.288 277 2HZ LYS 36 HZ2 LYS 36 17.000 11.250 9.170 278 3HZ LYS 36 HZ3 LYS 36 15.855 11.642 8.056 279 H THR 37 H THR 37 9.502 13.201 5.150 280 HA THR 37 HA THR 37 7.087 12.430 6.725 281 HB THR 37 HB THR 37 7.491 14.615 4.647 282 HG1 THR 37 HG1 THR 37 8.690 14.889 6.635 283 1HG2 THR 37 HG21 THR 37 5.271 14.100 6.691 284 2HG2 THR 37 HG22 THR 37 5.394 15.509 5.621 285 3HG2 THR 37 HG23 THR 37 5.101 13.904 4.933 286 H VAL 38 H VAL 38 7.317 10.239 5.808 287 HA VAL 38 HA VAL 38 6.716 9.973 2.917 288 HB VAL 38 HB VAL 38 7.452 7.992 5.045 289 1HG1 VAL 38 HG12 VAL 38 6.589 7.640 2.120 290 2HG1 VAL 38 HG13 VAL 38 7.506 6.401 2.971 291 3HG1 VAL 38 HG11 VAL 38 5.893 6.834 3.540 292 1HG2 VAL 38 HG22 VAL 38 9.241 9.488 3.923 293 2HG2 VAL 38 HG23 VAL 38 9.458 7.721 3.869 294 3HG2 VAL 38 HG21 VAL 38 8.857 8.566 2.455 295 H HIS 39 H HIS 39 4.611 10.704 2.669 296 HA HIS 39 HA HIS 39 2.518 9.207 4.181 297 1HB HIS 39 HB2 HIS 39 2.385 11.666 4.322 298 2HB HIS 39 HB3 HIS 39 2.279 11.762 2.560 299 HD1 HIS 39 HD1 HIS 39 -0.193 12.643 2.432 300 HD2 HIS 39 HD2 HIS 39 0.333 9.117 4.693 301 HE1 HIS 39 HE1 HIS 39 -2.552 11.681 2.908 302 HE2 HIS 39 HE2 HIS 39 -2.165 9.537 4.301 303 H VAL 40 H VAL 40 2.158 7.328 3.096 304 HA VAL 40 HA VAL 40 2.233 7.301 0.100 305 HB VAL 40 HB VAL 40 2.460 5.097 2.166 306 1HG1 VAL 40 HG11 VAL 40 2.497 4.953 -0.880 307 2HG1 VAL 40 HG12 VAL 40 2.912 3.619 0.217 308 3HG1 VAL 40 HG13 VAL 40 1.258 4.241 0.178 309 1HG2 VAL 40 HG22 VAL 40 4.472 6.550 1.829 310 2HG2 VAL 40 HG23 VAL 40 4.730 4.870 1.336 311 3HG2 VAL 40 HG21 VAL 40 4.456 6.128 0.110 312 H VAL 41 H VAL 41 0.265 7.961 -0.592 313 HA VAL 41 HA VAL 41 -2.168 6.933 0.708 314 HB VAL 41 HB VAL 41 -1.959 8.817 -1.645 315 1HG1 VAL 41 HG11 VAL 41 -4.188 8.024 0.301 316 2HG1 VAL 41 HG12 VAL 41 -4.306 9.352 -0.849 317 3HG1 VAL 41 HG13 VAL 41 -4.148 7.689 -1.442 318 1HG2 VAL 41 HG21 VAL 41 -0.865 9.787 0.399 319 2HG2 VAL 41 HG22 VAL 41 -2.388 10.579 0.011 320 3HG2 VAL 41 HG23 VAL 41 -2.326 9.387 1.326 321 H ALA 42 H ALA 42 -2.167 4.809 0.318 322 HA ALA 42 HA ALA 42 -1.810 3.740 -2.439 323 1HB ALA 42 HB3 ALA 42 -1.735 2.400 0.285 324 2HB ALA 42 HB1 ALA 42 -1.616 1.549 -1.274 325 3HB ALA 42 HB2 ALA 42 -0.366 2.710 -0.795 326 H ALA 43 H ALA 43 -3.385 2.141 -3.191 327 HA ALA 43 HA ALA 43 -5.909 1.868 -1.763 328 1HB ALA 43 HB3 ALA 43 -5.738 3.235 -4.495 329 2HB ALA 43 HB1 ALA 43 -7.231 2.722 -3.680 330 3HB ALA 43 HB2 ALA 43 -6.241 4.014 -2.977 331 H ALA 44 H ALA 44 -7.378 0.383 -3.073 332 HA ALA 44 HA ALA 44 -5.877 -1.433 -4.879 333 1HB ALA 44 HB1 ALA 44 -5.368 -2.232 -2.583 334 2HB ALA 44 HB2 ALA 44 -7.121 -2.336 -2.269 335 3HB ALA 44 HB3 ALA 44 -6.383 -3.378 -3.486 336 H VAL 45 H VAL 45 -7.185 -1.548 -6.558 337 HA VAL 45 HA VAL 45 -8.921 -1.953 -7.869 338 HB VAL 45 HB VAL 45 -9.983 -3.732 -5.660 339 1HG1 VAL 45 HG13 VAL 45 -11.348 -3.528 -7.810 340 2HG1 VAL 45 HG11 VAL 45 -9.927 -4.116 -8.690 341 3HG1 VAL 45 HG12 VAL 45 -10.724 -5.142 -7.483 342 1HG2 VAL 45 HG23 VAL 45 -7.657 -4.196 -7.573 343 2HG2 VAL 45 HG21 VAL 45 -7.605 -4.241 -5.799 344 3HG2 VAL 45 HG22 VAL 45 -8.482 -5.494 -6.681 345 H LEU 46 H LEU 46 -9.263 0.470 -6.946 346 HA LEU 46 HA LEU 46 -11.944 0.793 -5.802 347 1HB LEU 46 HB2 LEU 46 -10.252 2.891 -7.215 348 2HB LEU 46 HB3 LEU 46 -11.650 3.160 -6.183 349 HG LEU 46 HG LEU 46 -8.910 2.149 -5.325 350 1HD1 LEU 46 HD13 LEU 46 -10.534 4.652 -4.668 351 2HD1 LEU 46 HD11 LEU 46 -8.951 4.254 -3.983 352 3HD1 LEU 46 HD12 LEU 46 -9.105 4.574 -5.720 353 1HD2 LEU 46 HD21 LEU 46 -11.501 2.363 -3.736 354 2HD2 LEU 46 HD22 LEU 46 -10.501 0.912 -3.975 355 3HD2 LEU 46 HD23 LEU 46 -9.890 2.249 -2.999 356 HA PRO 47 HA PRO 47 -14.312 0.197 -9.429 357 1HB PRO 47 HB2 PRO 47 -15.427 2.991 -9.043 358 2HB PRO 47 HB3 PRO 47 -16.299 1.492 -9.473 359 1HG PRO 47 HG2 PRO 47 -16.294 2.333 -6.906 360 2HG PRO 47 HG3 PRO 47 -15.956 0.610 -7.249 361 1HD PRO 47 HD2 PRO 47 -13.972 2.822 -6.679 362 2HD PRO 47 HD3 PRO 47 -14.049 1.172 -6.005 363 H GLY 48 H GLY 48 -12.912 0.088 -11.140 364 1HA GLY 48 HA2 GLY 48 -12.698 1.320 -13.394 365 2HA GLY 48 HA3 GLY 48 -11.902 2.584 -12.440 366 H PHE 49 H PHE 49 -10.486 1.029 -10.560 367 HA PHE 49 HA PHE 49 -8.265 0.172 -12.270 368 1HB PHE 49 HB2 PHE 49 -8.533 0.201 -9.258 369 2HB PHE 49 HB3 PHE 49 -7.069 -0.146 -10.177 370 HD1 PHE 49 HD1 PHE 49 -6.703 1.853 -12.150 371 HD2 PHE 49 HD2 PHE 49 -8.268 2.263 -8.150 372 HE1 PHE 49 HE1 PHE 49 -5.859 4.176 -12.050 373 HE2 PHE 49 HE2 PHE 49 -7.412 4.580 -8.057 374 HZ PHE 49 HZ PHE 49 -6.194 5.539 -10.001 375 HA PRO 50 HA PRO 50 -9.902 -3.982 -11.896 376 1HB PRO 50 HB2 PRO 50 -8.204 -5.356 -13.507 377 2HB PRO 50 HB3 PRO 50 -9.283 -4.087 -14.155 378 1HG PRO 50 HG2 PRO 50 -6.374 -3.785 -13.343 379 2HG PRO 50 HG3 PRO 50 -7.122 -3.318 -14.900 380 1HD PRO 50 HD2 PRO 50 -6.773 -1.524 -12.867 381 2HD PRO 50 HD3 PRO 50 -8.223 -1.472 -13.919 382 H PHE 51 H PHE 51 -9.296 -6.139 -11.181 383 HA PHE 51 HA PHE 51 -7.569 -6.176 -8.917 384 1HB PHE 51 HB2 PHE 51 -9.061 -8.251 -10.514 385 2HB PHE 51 HB3 PHE 51 -7.740 -8.814 -9.532 386 HD1 PHE 51 HD2 PHE 51 -11.040 -7.066 -9.334 387 HD2 PHE 51 HD1 PHE 51 -7.939 -9.221 -7.250 388 HE1 PHE 51 HE2 PHE 51 -12.633 -7.624 -7.518 389 HE2 PHE 51 HE1 PHE 51 -9.562 -9.862 -5.501 390 HZ PHE 51 HZ PHE 51 -11.922 -9.125 -5.671 391 HA PRO 52 HA PRO 52 -6.028 -6.931 -7.800 392 1HB PRO 52 HB2 PRO 52 -3.912 -8.291 -7.036 393 2HB PRO 52 HB3 PRO 52 -5.219 -9.136 -7.895 394 1HG PRO 52 HG2 PRO 52 -2.526 -8.330 -8.970 395 2HG PRO 52 HG3 PRO 52 -3.536 -9.764 -9.331 396 1HD PRO 52 HD2 PRO 52 -3.432 -7.251 -10.776 397 2HD PRO 52 HD3 PRO 52 -4.449 -8.676 -11.114 398 H SER 53 H SER 53 -5.414 -4.579 -9.294 399 HA SER 53 HA SER 53 -2.588 -3.998 -8.965 400 1HB SER 53 HB2 SER 53 -3.166 -1.838 -9.962 401 2HB SER 53 HB3 SER 53 -3.839 -3.187 -10.891 402 HG SER 53 HG SER 53 -5.860 -2.749 -10.056 403 H PHE 54 H PHE 54 -1.537 -3.289 -7.201 404 HA PHE 54 HA PHE 54 -2.948 -1.719 -5.118 405 1HB PHE 54 HB2 PHE 54 0.003 -2.318 -5.688 406 2HB PHE 54 HB3 PHE 54 -0.503 -1.142 -4.493 407 HD1 PHE 54 HD1 PHE 54 -2.781 -2.462 -3.093 408 HD2 PHE 54 HD2 PHE 54 1.194 -3.724 -4.197 409 HE1 PHE 54 HE1 PHE 54 -2.710 -3.960 -1.134 410 HE2 PHE 54 HE2 PHE 54 1.282 -5.165 -2.192 411 HZ PHE 54 HZ PHE 54 -0.665 -5.256 -0.651 412 H GLU 55 H GLU 55 -3.458 0.381 -5.580 413 HA GLU 55 HA GLU 55 -1.851 1.742 -7.683 414 1HB GLU 55 HB2 GLU 55 -4.456 2.884 -6.846 415 2HB GLU 55 HB3 GLU 55 -3.467 2.963 -8.318 416 1HG GLU 55 HG2 GLU 55 -5.116 1.638 -9.118 417 2HG GLU 55 HG3 GLU 55 -3.989 0.400 -8.578 418 HE2 GLU 55 HE GLU 55 -5.670 -1.139 -8.251 419 H VAL 56 H VAL 56 -0.754 3.651 -7.127 420 HA VAL 56 HA VAL 56 -0.944 4.506 -4.263 421 HB VAL 56 HB VAL 56 1.602 3.768 -5.673 422 1HG1 VAL 56 HG13 VAL 56 1.062 4.776 -2.845 423 2HG1 VAL 56 HG11 VAL 56 2.630 4.164 -3.414 424 3HG1 VAL 56 HG12 VAL 56 1.957 5.637 -4.113 425 1HG2 VAL 56 HG23 VAL 56 0.116 2.390 -3.398 426 2HG2 VAL 56 HG21 VAL 56 0.456 1.718 -5.009 427 3HG2 VAL 56 HG22 VAL 56 1.777 2.010 -3.877 428 H HIS 57 H HIS 57 -1.705 6.392 -4.465 429 HA HIS 57 HA HIS 57 -2.474 8.216 -5.416 430 1HB HIS 57 HB2 HIS 57 -1.390 10.011 -4.602 431 2HB HIS 57 HB3 HIS 57 -0.727 8.692 -3.645 432 HD1 HIS 57 HD1 HIS 57 0.279 11.616 -5.654 433 HD2 HIS 57 HD2 HIS 57 1.921 7.889 -4.550 434 HE1 HIS 57 HE1 HIS 57 2.803 11.786 -6.049 435 HE2 HIS 57 HE2 HIS 57 3.795 9.526 -5.386 436 H ASP 58 H ASP 58 0.711 8.078 -7.020 437 HA ASP 58 HA ASP 58 -0.481 9.472 -9.386 438 1HB ASP 58 HB2 ASP 58 1.357 10.676 -8.339 439 2HB ASP 58 HB3 ASP 58 2.422 9.269 -8.556 440 HD1 ASP 58 HD ASP 58 1.274 11.414 -11.779 441 H LYS 59 H LYS 59 0.944 6.485 -8.294 442 HA LYS 59 HA LYS 59 1.252 5.467 -11.099 443 1HB LYS 59 HB2 LYS 59 2.896 4.849 -8.632 444 2HB LYS 59 HB3 LYS 59 3.230 4.251 -10.267 445 1HG LYS 59 HG2 LYS 59 3.535 7.113 -9.282 446 2HG LYS 59 HG3 LYS 59 4.809 5.943 -9.643 447 1HD LYS 59 HD2 LYS 59 3.941 5.847 -12.038 448 2HD LYS 59 HD3 LYS 59 2.908 7.238 -11.634 449 1HE LYS 59 HE2 LYS 59 5.014 8.424 -10.814 450 2HE LYS 59 HE3 LYS 59 5.944 7.063 -11.449 451 1HZ LYS 59 HZ1 LYS 59 4.917 7.548 -13.613 452 2HZ LYS 59 HZ2 LYS 59 4.256 8.922 -12.970 453 3HZ LYS 59 HZ3 LYS 59 5.901 8.736 -13.047 454 H LYS 60 H LYS 60 1.785 2.901 -10.571 455 HA LYS 60 HA LYS 60 -0.001 1.841 -8.527 456 1HB LYS 60 HB2 LYS 60 0.041 0.882 -11.394 457 2HB LYS 60 HB3 LYS 60 -0.939 0.182 -10.085 458 1HG LYS 60 HG2 LYS 60 -2.052 2.515 -9.968 459 2HG LYS 60 HG3 LYS 60 -1.266 2.867 -11.501 460 1HD LYS 60 HD2 LYS 60 -3.280 0.614 -10.987 461 2HD LYS 60 HD3 LYS 60 -3.588 2.153 -11.788 462 1HE LYS 60 HE2 LYS 60 -3.341 0.707 -13.590 463 2HE LYS 60 HE3 LYS 60 -1.743 1.462 -13.489 464 1HZ LYS 60 HZ1 LYS 60 -2.517 -1.177 -12.432 465 2HZ LYS 60 HZ2 LYS 60 -1.617 -0.896 -13.781 466 3HZ LYS 60 HZ3 LYS 60 -1.015 -0.517 -12.299 467 H ASN 61 H ASN 61 0.891 0.142 -7.537 468 HA ASN 61 HA ASN 61 2.692 -0.993 -6.678 469 1HB ASN 61 HB2 ASN 61 2.879 -1.727 -9.627 470 2HB ASN 61 HB3 ASN 61 3.772 -2.553 -8.377 471 1HD2 ASN 61 HD22 ASN 61 -0.189 -3.413 -8.496 472 2HD2 ASN 61 HD21 ASN 61 0.106 -1.652 -8.369 473 HA PRO 62 HA PRO 62 5.819 1.901 -8.817 474 1HB PRO 62 HB2 PRO 62 6.101 4.061 -7.138 475 2HB PRO 62 HB3 PRO 62 4.863 3.937 -8.404 476 1HG PRO 62 HG2 PRO 62 4.593 3.192 -5.460 477 2HG PRO 62 HG3 PRO 62 3.571 4.328 -6.385 478 1HD PRO 62 HD2 PRO 62 2.832 1.709 -6.044 479 2HD PRO 62 HD3 PRO 62 2.620 2.531 -7.614 480 H THR 63 H THR 63 7.857 2.644 -8.120 481 HA THR 63 HA THR 63 9.139 1.030 -6.016 482 HB THR 63 HB THR 63 10.282 2.943 -8.108 483 HG1 THR 63 HG1 THR 63 9.417 1.518 -9.422 484 1HG2 THR 63 HG22 THR 63 11.797 2.224 -6.269 485 2HG2 THR 63 HG23 THR 63 11.456 0.528 -6.739 486 3HG2 THR 63 HG21 THR 63 12.291 1.641 -7.871 487 H LEU 64 H LEU 64 9.567 2.037 -4.016 488 HA LEU 64 HA LEU 64 9.041 4.974 -3.787 489 1HB LEU 64 HB2 LEU 64 8.754 2.615 -1.946 490 2HB LEU 64 HB3 LEU 64 9.063 4.216 -1.280 491 HG LEU 64 HG LEU 64 7.086 5.144 -2.300 492 1HD1 LEU 64 HD12 LEU 64 6.685 2.377 -3.500 493 2HD1 LEU 64 HD13 LEU 64 5.398 3.594 -3.355 494 3HD1 LEU 64 HD11 LEU 64 6.814 3.928 -4.360 495 1HD2 LEU 64 HD22 LEU 64 6.917 4.066 -0.085 496 2HD2 LEU 64 HD23 LEU 64 5.407 3.885 -0.994 497 3HD2 LEU 64 HD21 LEU 64 6.529 2.514 -0.858 498 H GLU 65 H GLU 65 10.708 6.320 -3.409 499 HA GLU 65 HA GLU 65 13.295 5.244 -2.311 500 1HB GLU 65 HB2 GLU 65 12.620 7.604 -4.061 501 2HB GLU 65 HB3 GLU 65 14.115 7.572 -3.097 502 1HG GLU 65 HG2 GLU 65 14.796 5.460 -4.127 503 2HG GLU 65 HG3 GLU 65 13.303 5.381 -5.049 504 HE1 GLU 65 HE GLU 65 13.692 8.483 -5.534 505 H ILE 66 H ILE 66 13.461 5.497 -0.201 506 HA ILE 66 HA ILE 66 11.881 7.624 1.153 507 HB ILE 66 HB ILE 66 12.458 4.729 1.694 508 1HG1 ILE 66 HG12 ILE 66 9.956 6.459 1.404 509 2HG1 ILE 66 HG13 ILE 66 10.545 5.179 0.332 510 1HG2 ILE 66 HG23 ILE 66 11.499 6.806 3.709 511 2HG2 ILE 66 HG21 ILE 66 11.352 5.057 3.947 512 3HG2 ILE 66 HG22 ILE 66 12.935 5.775 3.839 513 1HD1 ILE 66 HD12 ILE 66 10.251 3.602 2.357 514 2HD1 ILE 66 HD13 ILE 66 9.298 4.912 3.069 515 3HD1 ILE 66 HD11 ILE 66 8.777 4.192 1.542 516 HA PRO 67 HA PRO 67 15.694 8.842 3.264 517 1HB PRO 67 HB2 PRO 67 13.722 10.099 5.154 518 2HB PRO 67 HB3 PRO 67 15.177 10.814 4.413 519 1HG PRO 67 HG2 PRO 67 12.688 11.438 3.487 520 2HG PRO 67 HG3 PRO 67 14.040 11.154 2.346 521 1HD PRO 67 HD2 PRO 67 11.843 9.230 3.141 522 2HD PRO 67 HD3 PRO 67 12.510 9.631 1.526 523 H ALA 68 H ALA 68 16.647 7.356 4.644 524 HA ALA 68 HA ALA 68 15.438 5.390 6.197 525 1HB ALA 68 HB1 ALA 68 17.860 5.468 5.672 526 2HB ALA 68 HB2 ALA 68 18.054 6.842 6.785 527 3HB ALA 68 HB3 ALA 68 17.579 5.247 7.412 528 H GLY 69 H GLY 69 14.480 5.191 8.165 529 1HA GLY 69 HA2 GLY 69 13.588 5.817 10.162 530 2HA GLY 69 HA3 GLY 69 14.684 7.203 10.227 531 H ALA 70 H ALA 70 12.812 7.199 7.267 532 HA ALA 70 HA ALA 70 11.250 9.435 8.056 533 1HB ALA 70 HB1 ALA 70 10.768 7.383 5.866 534 2HB ALA 70 HB2 ALA 70 9.909 8.931 6.036 535 3HB ALA 70 HB3 ALA 70 11.643 8.925 5.678 536 H THR 71 H THR 71 8.985 9.608 8.530 537 HA THR 71 HA THR 71 7.922 7.239 9.978 538 HB THR 71 HB THR 71 6.774 10.042 9.791 539 HG1 THR 71 HG1 THR 71 8.844 9.867 10.823 540 1HG2 THR 71 HG23 THR 71 6.201 7.606 11.563 541 2HG2 THR 71 HG21 THR 71 5.580 9.246 11.870 542 3HG2 THR 71 HG22 THR 71 5.092 8.366 10.415 543 H VAL 72 H VAL 72 7.508 5.823 8.372 544 HA VAL 72 HA VAL 72 6.160 6.556 5.892 545 HB VAL 72 HB VAL 72 7.012 3.858 7.056 546 1HG1 VAL 72 HG11 VAL 72 5.983 4.637 4.276 547 2HG1 VAL 72 HG12 VAL 72 6.709 3.074 4.696 548 3HG1 VAL 72 HG13 VAL 72 5.176 3.552 5.426 549 1HG2 VAL 72 HG22 VAL 72 8.201 5.763 4.981 550 2HG2 VAL 72 HG23 VAL 72 8.917 5.331 6.525 551 3HG2 VAL 72 HG21 VAL 72 8.728 4.104 5.245 552 H ASP 73 H ASP 73 4.207 7.276 6.187 553 HA ASP 73 HA ASP 73 2.239 5.783 7.861 554 1HB ASP 73 HB2 ASP 73 2.175 8.551 6.604 555 2HB ASP 73 HB3 ASP 73 0.845 7.791 7.489 556 HD2 ASP 73 HD ASP 73 4.228 8.960 8.030 557 H VAL 74 H VAL 74 1.461 4.119 6.694 558 HA VAL 74 HA VAL 74 1.085 4.380 3.761 559 HB VAL 74 HB VAL 74 0.749 1.984 5.561 560 1HG1 VAL 74 HG12 VAL 74 0.917 2.284 2.519 561 2HG1 VAL 74 HG13 VAL 74 0.889 0.736 3.381 562 3HG1 VAL 74 HG11 VAL 74 -0.524 1.799 3.438 563 1HG2 VAL 74 HG23 VAL 74 3.112 2.897 3.876 564 2HG2 VAL 74 HG21 VAL 74 3.066 2.619 5.635 565 3HG2 VAL 74 HG22 VAL 74 2.933 1.255 4.522 566 H THR 75 H THR 75 -0.592 5.764 3.597 567 HA THR 75 HA THR 75 -3.127 5.365 5.024 568 HB THR 75 HB THR 75 -2.193 7.349 2.947 569 HG1 THR 75 HG1 THR 75 -2.878 7.564 5.695 570 1HG2 THR 75 HG21 THR 75 -4.875 7.164 4.404 571 2HG2 THR 75 HG22 THR 75 -4.279 8.573 3.496 572 3HG2 THR 75 HG23 THR 75 -4.620 7.063 2.651 573 H PHE 76 H PHE 76 -3.693 3.275 4.325 574 HA PHE 76 HA PHE 76 -3.953 2.655 1.426 575 1HB PHE 76 HB2 PHE 76 -4.810 1.309 4.016 576 2HB PHE 76 HB3 PHE 76 -5.511 0.802 2.519 577 HD1 PHE 76 HD2 PHE 76 -3.396 0.738 0.544 578 HD2 PHE 76 HD1 PHE 76 -3.852 -0.857 4.521 579 HE1 PHE 76 HE2 PHE 76 -3.401 -1.519 -0.357 580 HE2 PHE 76 HE1 PHE 76 -3.707 -3.124 3.616 581 HZ PHE 76 HZ PHE 76 -3.803 -3.448 1.147 582 H ILE 77 H ILE 77 -5.801 3.053 0.305 583 HA ILE 77 HA ILE 77 -8.405 3.192 1.782 584 HB ILE 77 HB ILE 77 -7.682 4.513 -0.879 585 1HG1 ILE 77 HG12 ILE 77 -8.844 6.451 0.638 586 2HG1 ILE 77 HG13 ILE 77 -8.163 5.495 1.950 587 1HG2 ILE 77 HG23 ILE 77 -10.326 4.317 0.625 588 2HG2 ILE 77 HG21 ILE 77 -10.033 5.253 -0.864 589 3HG2 ILE 77 HG22 ILE 77 -9.977 3.506 -0.909 590 1HD1 ILE 77 HD12 ILE 77 -6.637 6.661 -0.419 591 2HD1 ILE 77 HD13 ILE 77 -6.659 7.303 1.236 592 3HD1 ILE 77 HD11 ILE 77 -5.910 5.723 0.914 593 H ASN 78 H ASN 78 -7.893 0.871 1.879 594 HA ASN 78 HA ASN 78 -7.629 -0.554 -0.709 595 1HB ASN 78 HB2 ASN 78 -6.119 -1.063 1.125 596 2HB ASN 78 HB3 ASN 78 -7.406 -1.709 2.109 597 1HD2 ASN 78 HD22 ASN 78 -7.718 -4.737 0.236 598 2HD2 ASN 78 HD21 ASN 78 -8.718 -3.601 1.103 599 H THR 79 H THR 79 -9.838 0.609 -0.949 600 HA THR 79 HA THR 79 -12.088 -0.851 0.283 601 HB THR 79 HB THR 79 -11.984 1.618 -1.495 602 HG1 THR 79 HG1 THR 79 -11.315 1.518 0.834 603 1HG2 THR 79 HG23 THR 79 -14.287 -0.110 -0.630 604 2HG2 THR 79 HG21 THR 79 -14.482 1.660 -0.541 605 3HG2 THR 79 HG22 THR 79 -14.093 0.887 -2.071 606 H ASN 80 H ASN 80 -11.231 -2.838 -0.707 607 HA ASN 80 HA ASN 80 -12.241 -3.152 -3.509 608 1HB ASN 80 HB2 ASN 80 -10.009 -4.057 -3.099 609 2HB ASN 80 HB3 ASN 80 -10.671 -5.117 -1.826 610 1HD2 ASN 80 HD21 ASN 80 -11.099 -7.496 -4.448 611 2HD2 ASN 80 HD22 ASN 80 -10.324 -7.139 -2.897 612 H LYS 81 H LYS 81 -13.653 -4.985 -3.888 613 HA LYS 81 HA LYS 81 -15.743 -5.155 -1.790 614 1HB LYS 81 HB2 LYS 81 -15.666 -5.627 -4.798 615 2HB LYS 81 HB3 LYS 81 -17.005 -6.154 -3.786 616 1HG LYS 81 HG2 LYS 81 -17.507 -4.014 -4.842 617 2HG LYS 81 HG3 LYS 81 -17.533 -3.929 -3.084 618 1HD LYS 81 HD2 LYS 81 -16.587 -1.912 -4.026 619 2HD LYS 81 HD3 LYS 81 -15.386 -2.741 -3.055 620 1HE LYS 81 HE2 LYS 81 -14.391 -3.662 -5.232 621 2HE LYS 81 HE3 LYS 81 -15.585 -2.706 -6.113 622 1HZ LYS 81 HZ3 LYS 81 -13.624 -1.573 -4.227 623 2HZ LYS 81 HZ1 LYS 81 -13.396 -1.660 -5.846 624 3HZ LYS 81 HZ2 LYS 81 -14.632 -0.750 -5.233 625 H GLY 82 H GLY 82 -15.783 -7.033 -0.597 626 1HA GLY 82 HA2 GLY 82 -15.794 -9.265 -0.102 627 2HA GLY 82 HA3 GLY 82 -15.466 -9.640 -1.794 628 H PHE 83 H PHE 83 -13.099 -8.950 -2.462 629 HA PHE 83 HA PHE 83 -11.402 -10.646 -0.750 630 1HB PHE 83 HB2 PHE 83 -10.938 -9.355 -3.434 631 2HB PHE 83 HB3 PHE 83 -9.698 -10.224 -2.554 632 HD1 PHE 83 HD1 PHE 83 -13.083 -10.615 -4.138 633 HD2 PHE 83 HD2 PHE 83 -9.629 -12.627 -2.503 634 HE1 PHE 83 HE1 PHE 83 -13.801 -12.729 -5.203 635 HE2 PHE 83 HE2 PHE 83 -10.367 -14.738 -3.560 636 HZ PHE 83 HZ PHE 83 -12.447 -14.794 -4.917 637 H GLY 84 H GLY 84 -11.513 -9.226 1.047 638 1HA GLY 84 HA2 GLY 84 -10.378 -6.744 1.542 639 2HA GLY 84 HA3 GLY 84 -10.305 -8.129 2.600 640 H HIS 85 H HIS 85 -8.539 -6.812 -0.259 641 HA HIS 85 HA HIS 85 -6.236 -8.309 0.096 642 1HB HIS 85 HB2 HIS 85 -6.097 -5.388 -0.639 643 2HB HIS 85 HB3 HIS 85 -4.933 -6.609 -1.029 644 HD2 HIS 85 HD2 HIS 85 -8.237 -5.112 -2.091 645 HE1 HIS 85 HE1 HIS 85 -7.113 -7.817 -5.169 646 HE2 HIS 85 HE2 HIS 85 -8.764 -6.007 -4.501 647 H SER 86 H SER 86 -4.062 -7.688 0.853 648 HA SER 86 HA SER 86 -4.035 -6.238 3.450 649 1HB SER 86 HB2 SER 86 -2.488 -7.967 4.196 650 2HB SER 86 HB3 SER 86 -3.990 -8.737 3.717 651 HG SER 86 HG SER 86 -1.528 -9.159 2.857 652 H PHE 87 H PHE 87 -1.843 -5.294 3.830 653 HA PHE 87 HA PHE 87 -0.092 -5.119 1.422 654 1HB PHE 87 HB2 PHE 87 -1.338 -3.046 1.802 655 2HB PHE 87 HB3 PHE 87 -0.613 -2.836 3.374 656 HD1 PHE 87 HD2 PHE 87 2.042 -2.680 3.361 657 HD2 PHE 87 HD1 PHE 87 -0.428 -2.142 -0.134 658 HE1 PHE 87 HE2 PHE 87 3.733 -1.141 2.377 659 HE2 PHE 87 HE1 PHE 87 1.292 -0.677 -1.126 660 HZ PHE 87 HZ PHE 87 3.356 -0.136 0.149 661 H ASP 88 H ASP 88 1.656 -6.332 2.080 662 HA ASP 88 HA ASP 88 2.522 -6.193 4.937 663 1HB ASP 88 HB2 ASP 88 2.360 -8.637 3.153 664 2HB ASP 88 HB3 ASP 88 2.903 -8.588 4.846 665 HD1 ASP 88 HD ASP 88 -0.402 -7.805 6.013 666 H ILE 89 H ILE 89 4.592 -5.779 5.249 667 HA ILE 89 HA ILE 89 6.293 -5.353 2.881 668 HB ILE 89 HB ILE 89 6.490 -4.044 5.619 669 1HG1 ILE 89 HG12 ILE 89 5.170 -3.061 3.057 670 2HG1 ILE 89 HG13 ILE 89 4.379 -3.382 4.608 671 1HG2 ILE 89 HG21 ILE 89 8.608 -4.134 4.352 672 2HG2 ILE 89 HG22 ILE 89 7.793 -3.415 2.947 673 3HG2 ILE 89 HG23 ILE 89 7.986 -2.501 4.458 674 1HD1 ILE 89 HD12 ILE 89 5.861 -1.585 5.638 675 2HD1 ILE 89 HD13 ILE 89 6.303 -1.125 3.976 676 3HD1 ILE 89 HD11 ILE 89 4.625 -1.027 4.505 677 H THR 90 H THR 90 8.253 -6.306 2.738 678 HA THR 90 HA THR 90 9.682 -7.379 4.999 679 HB THR 90 HB THR 90 8.117 -9.138 4.836 680 HG1 THR 90 HG1 THR 90 9.820 -10.270 5.200 681 1HG2 THR 90 HG21 THR 90 8.794 -9.360 1.862 682 2HG2 THR 90 HG22 THR 90 7.861 -10.557 2.780 683 3HG2 THR 90 HG23 THR 90 7.226 -8.920 2.566 684 H LYS 91 H LYS 91 11.214 -9.184 3.165 685 HA LYS 91 HA LYS 91 12.400 -7.055 1.385 686 1HB LYS 91 HB2 LYS 91 13.936 -9.024 3.130 687 2HB LYS 91 HB3 LYS 91 14.630 -7.814 2.033 688 1HG LYS 91 HG2 LYS 91 13.391 -6.041 3.361 689 2HG LYS 91 HG3 LYS 91 13.047 -7.277 4.581 690 1HD LYS 91 HD2 LYS 91 15.795 -6.341 3.622 691 2HD LYS 91 HD3 LYS 91 15.005 -5.883 5.136 692 1HE LYS 91 HE2 LYS 91 15.000 -8.305 5.835 693 2HE LYS 91 HE3 LYS 91 15.920 -8.695 4.367 694 1HZ LYS 91 HZ3 LYS 91 17.640 -7.233 5.131 695 2HZ LYS 91 HZ1 LYS 91 16.791 -6.881 6.500 696 3HZ LYS 91 HZ2 LYS 91 17.340 -8.412 6.241 697 H LYS 92 H LYS 92 10.743 -9.777 1.038 698 HA LYS 92 HA LYS 92 12.425 -11.283 -0.777 699 1HB LYS 92 HB2 LYS 92 9.468 -11.079 -0.188 700 2HB LYS 92 HB3 LYS 92 9.946 -11.839 -1.689 701 1HG LYS 92 HG2 LYS 92 10.965 -12.689 1.041 702 2HG LYS 92 HG3 LYS 92 9.595 -13.422 0.188 703 1HD LYS 92 HD2 LYS 92 12.520 -13.502 -0.714 704 2HD LYS 92 HD3 LYS 92 11.547 -14.801 -0.058 705 1HE LYS 92 HE2 LYS 92 11.419 -15.322 -2.268 706 2HE LYS 92 HE3 LYS 92 9.941 -14.367 -2.103 707 1HZ LYS 92 HZ3 LYS 92 12.546 -13.425 -3.120 708 2HZ LYS 92 HZ1 LYS 92 11.231 -13.790 -4.035 709 3HZ LYS 92 HZ2 LYS 92 11.190 -12.497 -3.035 710 H GLY 93 H GLY 93 13.172 -10.566 -2.715 711 1HA GLY 93 HA2 GLY 93 12.012 -8.200 -3.999 712 2HA GLY 93 HA3 GLY 93 13.385 -9.169 -4.563 713 HA PRO 94 HA PRO 94 9.450 -10.428 -6.900 714 1HB PRO 94 HB2 PRO 94 9.848 -9.123 -9.303 715 2HB PRO 94 HB3 PRO 94 8.994 -8.374 -7.928 716 1HG PRO 94 HG2 PRO 94 11.918 -8.079 -8.677 717 2HG PRO 94 HG3 PRO 94 10.744 -6.774 -8.328 718 1HD PRO 94 HD2 PRO 94 12.460 -7.694 -6.428 719 2HD PRO 94 HD3 PRO 94 10.772 -7.272 -6.004 720 HA PRO 95 HA PRO 95 8.682 -11.229 -9.113 721 1HB PRO 95 HB2 PRO 95 8.209 -13.673 -10.173 722 2HB PRO 95 HB3 PRO 95 9.109 -12.419 -11.077 723 1HG PRO 95 HG2 PRO 95 10.268 -14.702 -9.446 724 2HG PRO 95 HG3 PRO 95 10.678 -14.246 -11.124 725 1HD PRO 95 HD2 PRO 95 12.153 -13.402 -8.965 726 2HD PRO 95 HD3 PRO 95 11.910 -12.353 -10.389 727 H TYR 96 H TYR 96 6.842 -12.019 -7.991 728 HA TYR 96 HA TYR 96 7.420 -13.550 -5.516 729 1HB TYR 96 HB2 TYR 96 4.944 -12.084 -6.390 730 2HB TYR 96 HB3 TYR 96 5.199 -12.858 -4.832 731 HD1 TYR 96 HD1 TYR 96 7.070 -12.066 -3.330 732 HD2 TYR 96 HD2 TYR 96 5.900 -9.875 -6.854 733 HE1 TYR 96 HE1 TYR 96 8.460 -10.170 -2.612 734 HE2 TYR 96 HE2 TYR 96 7.420 -8.037 -6.196 735 HH TYR 96 HH TYR 96 9.461 -8.193 -3.286 736 H ALA 97 H ALA 97 6.112 -15.338 -4.949 737 HA ALA 97 HA ALA 97 5.557 -17.106 -7.233 738 1HB ALA 97 HB1 ALA 97 5.481 -17.548 -4.219 739 2HB ALA 97 HB2 ALA 97 5.209 -18.808 -5.441 740 3HB ALA 97 HB3 ALA 97 6.790 -18.007 -5.325 741 H VAL 98 H VAL 98 3.537 -18.039 -7.649 742 HA VAL 98 HA VAL 98 1.208 -16.452 -7.237 743 HB VAL 98 HB VAL 98 1.604 -19.353 -8.059 744 1HG1 VAL 98 HG11 VAL 98 -0.950 -17.686 -8.169 745 2HG1 VAL 98 HG12 VAL 98 -0.711 -19.255 -8.961 746 3HG1 VAL 98 HG13 VAL 98 -0.692 -19.154 -7.199 747 1HG2 VAL 98 HG23 VAL 98 2.542 -17.671 -9.625 748 2HG2 VAL 98 HG21 VAL 98 1.139 -18.486 -10.324 749 3HG2 VAL 98 HG22 VAL 98 0.972 -16.844 -9.673 750 H MET 99 H MET 99 2.548 -19.277 -5.524 751 HA MET 99 HA MET 99 0.373 -19.332 -3.575 752 1HB MET 99 HB2 MET 99 3.063 -20.766 -3.669 753 2HB MET 99 HB3 MET 99 1.828 -20.974 -2.418 754 1HG MET 99 HG2 MET 99 1.511 -22.768 -3.890 755 2HG MET 99 HG3 MET 99 0.197 -21.642 -4.239 756 1HE MET 99 HE1 MET 99 0.888 -24.120 -6.052 757 2HE MET 99 HE2 MET 99 -0.395 -22.946 -6.438 758 3HE MET 99 HE3 MET 99 0.802 -23.393 -7.675 759 HA PRO 100 HA PRO 100 2.434 -15.956 -1.467 760 1HB PRO 100 HB2 PRO 100 0.898 -15.666 0.741 761 2HB PRO 100 HB3 PRO 100 0.300 -15.339 -0.906 762 1HG PRO 100 HG2 PRO 100 -0.073 -17.876 0.705 763 2HG PRO 100 HG3 PRO 100 -1.325 -16.905 -0.123 764 1HD PRO 100 HD2 PRO 100 -0.171 -19.109 -1.287 765 2HD PRO 100 HD3 PRO 100 -0.614 -17.673 -2.260 766 H VAL 101 H VAL 101 4.367 -17.320 -1.304 767 HA VAL 101 HA VAL 101 4.866 -18.774 1.173 768 HB VAL 101 HB VAL 101 6.846 -17.683 -0.873 769 1HG1 VAL 101 HG13 VAL 101 7.123 -19.846 1.274 770 2HG1 VAL 101 HG11 VAL 101 8.352 -19.415 0.066 771 3HG1 VAL 101 HG12 VAL 101 7.902 -18.253 1.317 772 1HG2 VAL 101 HG23 VAL 101 5.515 -20.421 -0.618 773 2HG2 VAL 101 HG21 VAL 101 5.284 -19.265 -1.944 774 3HG2 VAL 101 HG22 VAL 101 6.854 -20.035 -1.715 775 H ILE 102 H ILE 102 4.032 -17.227 2.618 776 HA ILE 102 HA ILE 102 5.023 -14.576 2.778 777 HB ILE 102 HB ILE 102 3.955 -14.517 4.988 778 1HG1 ILE 102 HG12 ILE 102 2.687 -17.207 4.258 779 2HG1 ILE 102 HG13 ILE 102 4.045 -17.102 5.378 780 1HG2 ILE 102 HG22 ILE 102 2.903 -13.798 2.878 781 2HG2 ILE 102 HG23 ILE 102 2.257 -15.432 2.632 782 3HG2 ILE 102 HG21 ILE 102 1.690 -14.447 3.991 783 1HD1 ILE 102 HD11 ILE 102 2.739 -15.561 6.829 784 2HD1 ILE 102 HD12 ILE 102 1.331 -15.782 5.764 785 3HD1 ILE 102 HD13 ILE 102 2.000 -17.164 6.646 786 H ASP 103 H ASP 103 7.073 -14.625 2.752 787 HA ASP 103 HA ASP 103 8.893 -15.771 4.691 788 1HB ASP 103 HB2 ASP 103 9.079 -13.479 2.679 789 2HB ASP 103 HB3 ASP 103 10.386 -13.824 3.797 790 HD1 ASP 103 HD ASP 103 8.329 -15.756 1.541 791 HA PRO 104 HA PRO 104 8.240 -13.482 8.330 792 1HB PRO 104 HB2 PRO 104 11.008 -12.298 7.947 793 2HB PRO 104 HB3 PRO 104 10.230 -12.824 9.472 794 1HG PRO 104 HG2 PRO 104 11.893 -14.528 8.192 795 2HG PRO 104 HG3 PRO 104 10.314 -15.133 8.777 796 1HD PRO 104 HD2 PRO 104 11.097 -14.364 5.971 797 2HD PRO 104 HD3 PRO 104 10.096 -15.731 6.543 798 H ILE 105 H ILE 105 6.665 -11.968 8.148 799 HA ILE 105 HA ILE 105 6.998 -9.547 6.552 800 HB ILE 105 HB ILE 105 4.785 -10.520 8.364 801 1HG1 ILE 105 HG12 ILE 105 4.905 -11.930 6.423 802 2HG1 ILE 105 HG13 ILE 105 3.540 -10.832 6.245 803 1HG2 ILE 105 HG23 ILE 105 4.869 -8.069 6.568 804 2HG2 ILE 105 HG21 ILE 105 3.399 -8.737 7.311 805 3HG2 ILE 105 HG22 ILE 105 4.689 -8.103 8.331 806 1HD1 ILE 105 HD12 ILE 105 5.072 -9.377 4.745 807 2HD1 ILE 105 HD13 ILE 105 6.212 -10.729 4.799 808 3HD1 ILE 105 HD11 ILE 105 4.605 -10.966 4.112 809 H VAL 106 H VAL 106 7.714 -7.656 7.246 810 HA VAL 106 HA VAL 106 8.635 -7.446 10.059 811 HB VAL 106 HB VAL 106 9.057 -5.694 7.590 812 1HG1 VAL 106 HG11 VAL 106 10.257 -5.476 10.391 813 2HG1 VAL 106 HG12 VAL 106 10.770 -4.544 8.969 814 3HG1 VAL 106 HG13 VAL 106 9.153 -4.303 9.641 815 1HG2 VAL 106 HG21 VAL 106 10.908 -7.596 9.090 816 2HG2 VAL 106 HG22 VAL 106 10.219 -7.873 7.478 817 3HG2 VAL 106 HG23 VAL 106 11.368 -6.558 7.729 818 H ALA 107 H ALA 107 7.070 -5.170 7.838 819 HA ALA 107 HA ALA 107 5.108 -4.411 9.982 820 1HB ALA 107 HB2 ALA 107 6.090 -2.772 7.602 821 2HB ALA 107 HB3 ALA 107 4.796 -2.301 8.727 822 3HB ALA 107 HB1 ALA 107 6.465 -2.465 9.308 823 H GLY 108 H GLY 108 2.818 -4.491 9.294 824 1HA GLY 108 HA2 GLY 108 2.161 -4.768 6.600 825 2HA GLY 108 HA3 GLY 108 2.282 -6.422 7.268 826 H THR 109 H THR 109 -0.078 -5.323 6.207 827 HA THR 109 HA THR 109 -1.792 -4.856 8.592 828 HB THR 109 HB THR 109 -3.456 -4.139 6.757 829 HG1 THR 109 HG1 THR 109 -1.025 -4.052 5.266 830 1HG2 THR 109 HG22 THR 109 -0.882 -2.611 7.272 831 2HG2 THR 109 HG23 THR 109 -2.290 -1.931 6.419 832 3HG2 THR 109 HG21 THR 109 -2.440 -2.447 8.113 833 H GLY 110 H GLY 110 -3.607 -6.082 8.931 834 1HA GLY 110 HA2 GLY 110 -3.695 -8.747 7.623 835 2HA GLY 110 HA3 GLY 110 -4.644 -8.182 9.004 836 H PHE 111 H PHE 111 -5.755 -9.419 6.599 837 HA PHE 111 HA PHE 111 -6.454 -8.031 4.431 838 1HB PHE 111 HB2 PHE 111 -8.447 -9.725 5.954 839 2HB PHE 111 HB3 PHE 111 -8.434 -9.478 4.260 840 HD1 PHE 111 HD2 PHE 111 -6.122 -10.070 2.989 841 HD2 PHE 111 HD1 PHE 111 -7.355 -11.732 6.775 842 HE1 PHE 111 HE2 PHE 111 -4.472 -11.893 2.725 843 HE2 PHE 111 HE1 PHE 111 -5.712 -13.565 6.493 844 HZ PHE 111 HZ PHE 111 -4.265 -13.648 4.469 845 H SER 112 H SER 112 -7.713 -6.364 3.751 846 HA SER 112 HA SER 112 -8.791 -4.595 5.691 847 1HB SER 112 HB2 SER 112 -9.079 -3.107 3.880 848 2HB SER 112 HB3 SER 112 -7.846 -4.188 3.280 849 HG SER 112 HG SER 112 -10.649 -4.351 2.700 850 HA PRO 113 HA PRO 113 -13.077 -5.869 5.905 851 1HB PRO 113 HB2 PRO 113 -14.417 -3.509 6.325 852 2HB PRO 113 HB3 PRO 113 -13.333 -4.224 7.548 853 1HG PRO 113 HG2 PRO 113 -12.659 -2.068 5.529 854 2HG PRO 113 HG3 PRO 113 -12.387 -2.023 7.295 855 1HD PRO 113 HD2 PRO 113 -10.427 -2.748 5.577 856 2HD PRO 113 HD3 PRO 113 -10.612 -3.611 7.131 857 H VAL 114 H VAL 114 -15.279 -5.032 4.828 858 HA VAL 114 HA VAL 114 -14.829 -4.476 1.914 859 HB VAL 114 HB VAL 114 -16.849 -6.275 3.307 860 1HG1 VAL 114 HG11 VAL 114 -16.555 -5.428 0.397 861 2HG1 VAL 114 HG12 VAL 114 -17.503 -6.839 0.925 862 3HG1 VAL 114 HG13 VAL 114 -17.972 -5.217 1.437 863 1HG2 VAL 114 HG21 VAL 114 -14.535 -6.867 1.404 864 2HG2 VAL 114 HG22 VAL 114 -14.604 -7.288 3.124 865 3HG2 VAL 114 HG23 VAL 114 -15.723 -8.052 1.994 866 HA PRO 115 HA PRO 115 -17.251 -0.861 3.356 867 1HB PRO 115 HB2 PRO 115 -16.189 -0.119 0.626 868 2HB PRO 115 HB3 PRO 115 -16.368 0.948 2.061 869 1HG PRO 115 HG2 PRO 115 -13.913 -0.060 1.528 870 2HG PRO 115 HG3 PRO 115 -14.560 -0.242 3.191 871 1HD PRO 115 HD2 PRO 115 -14.638 -2.251 0.913 872 2HD PRO 115 HD3 PRO 115 -14.001 -2.430 2.575 873 H LYS 116 H LYS 116 -18.906 0.507 2.047 874 HA LYS 116 HA LYS 116 -20.222 -0.887 -0.153 875 1HB LYS 116 HB2 LYS 116 -21.701 -0.261 2.447 876 2HB LYS 116 HB3 LYS 116 -22.419 -0.866 0.945 877 1HG LYS 116 HG2 LYS 116 -20.923 -2.903 1.151 878 2HG LYS 116 HG3 LYS 116 -20.467 -2.332 2.768 879 1HD LYS 116 HD2 LYS 116 -22.930 -2.304 3.374 880 2HD LYS 116 HD3 LYS 116 -23.267 -3.089 1.821 881 1HE LYS 116 HE2 LYS 116 -21.530 -4.181 4.092 882 2HE LYS 116 HE3 LYS 116 -23.135 -4.761 3.619 883 1HZ LYS 116 HZ3 LYS 116 -22.194 -5.388 1.498 884 2HZ LYS 116 HZ1 LYS 116 -20.700 -4.883 1.982 885 3HZ LYS 116 HZ2 LYS 116 -21.427 -6.147 2.745 886 H ASP 117 H ASP 117 -21.891 0.470 -1.088 887 HA ASP 117 HA ASP 117 -22.395 2.382 -2.184 888 1HB ASP 117 HB2 ASP 117 -22.776 3.271 0.710 889 2HB ASP 117 HB3 ASP 117 -23.450 4.097 -0.716 890 HD2 ASP 117 HD ASP 117 -26.106 2.078 0.485 891 H GLY 118 H GLY 118 -21.535 4.846 -0.027 892 1HA GLY 118 HA2 GLY 118 -19.222 5.582 -1.776 893 2HA GLY 118 HA3 GLY 118 -20.286 6.679 -0.900 894 H LYS 119 H LYS 119 -19.291 3.824 0.877 895 HA LYS 119 HA LYS 119 -17.604 5.507 2.619 896 1HB LYS 119 HB2 LYS 119 -18.443 2.594 2.930 897 2HB LYS 119 HB3 LYS 119 -17.622 3.607 4.127 898 1HG LYS 119 HG2 LYS 119 -19.597 5.143 4.140 899 2HG LYS 119 HG3 LYS 119 -20.439 4.029 3.037 900 1HD LYS 119 HD2 LYS 119 -20.142 2.187 4.701 901 2HD LYS 119 HD3 LYS 119 -19.407 3.332 5.830 902 1HE LYS 119 HE2 LYS 119 -22.254 3.485 4.711 903 2HE LYS 119 HE3 LYS 119 -21.805 2.931 6.331 904 1HZ LYS 119 HZ1 LYS 119 -20.915 5.111 6.764 905 2HZ LYS 119 HZ2 LYS 119 -21.372 5.633 5.270 906 3HZ LYS 119 HZ3 LYS 119 -22.513 5.186 6.369 907 H PHE 120 H PHE 120 -15.435 4.866 3.088 908 HA PHE 120 HA PHE 120 -14.057 3.217 0.988 909 1HB PHE 120 HB2 PHE 120 -13.784 6.088 1.734 910 2HB PHE 120 HB3 PHE 120 -12.343 5.239 1.257 911 HD1 PHE 120 HD1 PHE 120 -15.749 6.199 0.164 912 HD2 PHE 120 HD2 PHE 120 -12.216 4.122 -1.022 913 HE1 PHE 120 HE1 PHE 120 -16.606 6.066 -2.152 914 HE2 PHE 120 HE2 PHE 120 -12.948 4.204 -3.392 915 HZ PHE 120 HZ PHE 120 -15.137 5.237 -3.966 916 H GLY 121 H GLY 121 -13.512 1.607 2.211 917 1HA GLY 121 HA2 GLY 121 -12.624 1.430 4.910 918 2HA GLY 121 HA3 GLY 121 -12.296 0.277 3.615 919 H TYR 122 H TYR 122 -10.791 2.250 5.761 920 HA TYR 122 HA TYR 122 -8.406 2.387 4.132 921 1HB TYR 122 HB2 TYR 122 -7.879 4.662 4.503 922 2HB TYR 122 HB3 TYR 122 -9.452 4.583 3.785 923 HD1 TYR 122 HD2 TYR 122 -10.933 4.166 6.577 924 HD2 TYR 122 HD1 TYR 122 -7.762 6.778 5.304 925 HE1 TYR 122 HE2 TYR 122 -11.628 5.826 8.268 926 HE2 TYR 122 HE1 TYR 122 -8.441 8.430 7.022 927 HH TYR 122 HH TYR 122 -11.226 7.892 9.189 928 H THR 123 H THR 123 -6.511 2.944 5.277 929 HA THR 123 HA THR 123 -6.425 2.456 8.163 930 HB THR 123 HB THR 123 -5.524 0.549 6.016 931 HG1 THR 123 HG1 THR 123 -6.432 0.430 8.658 932 1HG2 THR 123 HG22 THR 123 -3.812 0.874 8.481 933 2HG2 THR 123 HG23 THR 123 -3.838 -0.479 7.323 934 3HG2 THR 123 HG21 THR 123 -3.338 1.125 6.764 935 H ASP 124 H ASP 124 -4.548 3.275 9.053 936 HA ASP 124 HA ASP 124 -2.642 4.750 7.282 937 1HB ASP 124 HB2 ASP 124 -4.051 5.845 9.761 938 2HB ASP 124 HB3 ASP 124 -2.730 6.626 8.885 939 HD2 ASP 124 HD ASP 124 -6.462 6.804 7.453 940 H PHE 125 H PHE 125 -1.603 2.519 7.872 941 HA PHE 125 HA PHE 125 -0.842 2.317 10.702 942 1HB PHE 125 HB2 PHE 125 0.232 0.334 10.287 943 2HB PHE 125 HB3 PHE 125 -1.272 0.291 9.393 944 HD1 PHE 125 HD1 PHE 125 2.441 0.373 9.166 945 HD2 PHE 125 HD2 PHE 125 -1.233 0.201 6.905 946 HE1 PHE 125 HE1 PHE 125 3.643 -0.643 7.271 947 HE2 PHE 125 HE2 PHE 125 -0.035 -0.916 5.053 948 HZ PHE 125 HZ PHE 125 2.401 -1.374 5.250 949 H THR 126 H THR 126 1.421 2.561 11.378 950 HA THR 126 HA THR 126 3.009 4.386 9.638 951 HB THR 126 HB THR 126 2.802 4.389 12.656 952 HG1 THR 126 HG1 THR 126 1.778 6.319 10.847 953 1HG2 THR 126 HG21 THR 126 4.134 6.260 10.650 954 2HG2 THR 126 HG22 THR 126 3.889 6.641 12.369 955 3HG2 THR 126 HG23 THR 126 4.951 5.301 11.906 956 H TRP 127 H TRP 127 5.217 3.961 9.428 957 HA TRP 127 HA TRP 127 6.501 1.953 11.166 958 1HB TRP 127 HB2 TRP 127 5.580 0.682 9.271 959 2HB TRP 127 HB3 TRP 127 6.245 1.843 8.128 960 HD1 TRP 127 HD1 TRP 127 8.078 -0.070 10.927 961 HE1 TRP 127 HE1 TRP 127 10.026 -1.391 9.913 962 HE3 TRP 127 HE3 TRP 127 7.256 0.975 6.020 963 HZ2 TRP 127 HZ2 TRP 127 11.068 -1.944 7.239 964 HZ3 TRP 127 HZ3 TRP 127 8.781 0.109 4.268 965 HH2 TRP 127 HH2 TRP 127 10.579 -1.409 4.825 966 H HIS 128 H HIS 128 8.875 1.945 10.877 967 HA HIS 128 HA HIS 128 10.041 4.501 9.872 968 1HB HIS 128 HB2 HIS 128 10.484 3.182 12.558 969 2HB HIS 128 HB3 HIS 128 11.544 4.404 11.851 970 HD1 HIS 128 HD1 HIS 128 8.171 4.130 13.582 971 HD2 HIS 128 HD2 HIS 128 10.466 6.891 11.373 972 HE1 HIS 128 HE1 HIS 128 7.037 6.420 13.857 973 HE2 HIS 128 HE2 HIS 128 8.436 8.087 12.475 974 HA PRO 129 HA PRO 129 12.001 0.812 8.054 975 1HB PRO 129 HB2 PRO 129 12.841 2.683 5.904 976 2HB PRO 129 HB3 PRO 129 12.005 1.110 5.777 977 1HG PRO 129 HG2 PRO 129 10.788 3.515 5.393 978 2HG PRO 129 HG3 PRO 129 9.928 2.146 6.142 979 1HD PRO 129 HD2 PRO 129 11.137 4.535 7.512 980 2HD PRO 129 HD3 PRO 129 9.610 3.655 7.849 981 H THR 130 H THR 130 14.259 0.174 8.076 982 HA THR 130 HA THR 130 16.329 2.164 8.781 983 HB THR 130 HB THR 130 17.641 -0.014 9.107 984 HG1 THR 130 HG1 THR 130 16.333 -1.866 9.272 985 1HG2 THR 130 HG21 THR 130 16.610 1.221 11.005 986 2HG2 THR 130 HG22 THR 130 15.082 0.356 10.744 987 3HG2 THR 130 HG23 THR 130 16.529 -0.532 11.259 988 H ALA 131 H ALA 131 18.363 2.142 7.524 989 HA ALA 131 HA ALA 131 17.816 2.442 4.792 990 1HB ALA 131 HB2 ALA 131 19.609 3.641 5.967 991 2HB ALA 131 HB3 ALA 131 20.546 2.129 6.068 992 3HB ALA 131 HB1 ALA 131 20.178 2.857 4.487 993 H GLY 132 H GLY 132 18.339 1.342 2.952 994 1HA GLY 132 HA2 GLY 132 19.569 -0.509 1.880 995 2HA GLY 132 HA3 GLY 132 18.873 -1.599 3.119 996 H THR 133 H THR 133 17.031 -2.654 2.272 997 HA THR 133 HA THR 133 15.159 -1.140 0.655 998 HB THR 133 HB THR 133 16.638 -3.525 -0.544 999 HG1 THR 133 HG1 THR 133 17.026 -0.790 -0.666 1000 1HG2 THR 133 HG21 THR 133 14.514 -1.680 -1.732 1001 2HG2 THR 133 HG22 THR 133 15.462 -2.873 -2.639 1002 3HG2 THR 133 HG23 THR 133 14.331 -3.414 -1.391 1003 H TYR 134 H TYR 134 13.168 -2.063 0.551 1004 HA TYR 134 HA TYR 134 12.659 -4.734 1.687 1005 1HB TYR 134 HB2 TYR 134 11.259 -2.145 2.498 1006 2HB TYR 134 HB3 TYR 134 10.650 -3.734 2.871 1007 HD1 TYR 134 HD2 TYR 134 13.261 -1.227 3.564 1008 HD2 TYR 134 HD1 TYR 134 11.503 -4.978 4.749 1009 HE1 TYR 134 HE2 TYR 134 14.156 -0.940 5.833 1010 HE2 TYR 134 HE1 TYR 134 12.600 -4.782 6.961 1011 HH TYR 134 HH TYR 134 14.684 -2.055 7.867 1012 H TYR 135 H TYR 135 10.178 -5.133 1.183 1013 HA TYR 135 HA TYR 135 9.340 -3.917 -1.335 1014 1HB TYR 135 HB2 TYR 135 9.721 -6.895 -0.926 1015 2HB TYR 135 HB3 TYR 135 8.856 -6.164 -2.275 1016 HD1 TYR 135 HD2 TYR 135 12.204 -6.646 -0.754 1017 HD2 TYR 135 HD1 TYR 135 10.028 -5.188 -4.158 1018 HE1 TYR 135 HE2 TYR 135 14.329 -6.420 -1.990 1019 HE2 TYR 135 HE1 TYR 135 12.169 -4.962 -5.413 1020 HH TYR 135 HH TYR 135 15.324 -5.785 -3.976 1021 H TYR 136 H TYR 136 7.049 -4.219 -1.677 1022 HA TYR 136 HA TYR 136 5.544 -5.136 0.737 1023 1HB TYR 136 HB2 TYR 136 3.802 -3.549 0.188 1024 2HB TYR 136 HB3 TYR 136 5.315 -2.775 0.623 1025 HD1 TYR 136 HD2 TYR 136 6.626 -1.515 -1.034 1026 HD2 TYR 136 HD1 TYR 136 2.857 -3.292 -2.085 1027 HE1 TYR 136 HE2 TYR 136 6.335 0.174 -2.815 1028 HE2 TYR 136 HE1 TYR 136 2.621 -1.644 -3.956 1029 HH TYR 136 HH TYR 136 5.118 0.636 -4.781 1030 H VAL 137 H VAL 137 3.791 -6.462 0.399 1031 HA VAL 137 HA VAL 137 2.878 -7.072 -2.335 1032 HB VAL 137 HB VAL 137 3.094 -9.486 -1.970 1033 1HG1 VAL 137 HG12 VAL 137 4.857 -8.327 -3.240 1034 2HG1 VAL 137 HG13 VAL 137 5.827 -8.177 -1.752 1035 3HG1 VAL 137 HG11 VAL 137 5.418 -9.774 -2.393 1036 1HG2 VAL 137 HG21 VAL 137 3.183 -9.558 0.522 1037 2HG2 VAL 137 HG22 VAL 137 4.552 -10.403 -0.205 1038 3HG2 VAL 137 HG23 VAL 137 4.782 -8.788 0.483 1039 H CYS 138 H CYS 138 0.931 -8.379 -2.312 1040 HA CYS 138 HA CYS 138 -0.751 -8.161 0.155 1041 1HB CYS 138 HB2 CYS 138 -1.823 -7.122 -1.708 1042 2HB CYS 138 HB3 CYS 138 -1.339 -8.420 -2.806 1043 H GLN 139 H GLN 139 -1.501 -10.046 1.114 1044 HA GLN 139 HA GLN 139 0.049 -12.452 0.481 1045 1HB GLN 139 HB2 GLN 139 -1.891 -11.682 2.678 1046 2HB GLN 139 HB3 GLN 139 -1.167 -13.296 2.567 1047 1HG GLN 139 HG2 GLN 139 1.061 -12.438 2.675 1048 2HG GLN 139 HG3 GLN 139 0.521 -10.768 2.593 1049 1HE2 GLN 139 HE21 GLN 139 1.226 -11.816 6.190 1050 2HE2 GLN 139 HE22 GLN 139 2.166 -11.996 4.719 1051 H ILE 140 H ILE 140 -3.099 -11.418 -0.464 1052 HA ILE 140 HA ILE 140 -4.336 -13.993 -0.535 1053 HB ILE 140 HB ILE 140 -4.869 -11.545 -2.216 1054 1HG1 ILE 140 HG12 ILE 140 -6.080 -12.584 0.391 1055 2HG1 ILE 140 HG13 ILE 140 -5.100 -11.125 0.201 1056 1HG2 ILE 140 HG21 ILE 140 -5.787 -13.612 -3.260 1057 2HG2 ILE 140 HG22 ILE 140 -6.635 -13.980 -1.740 1058 3HG2 ILE 140 HG23 ILE 140 -7.060 -12.543 -2.692 1059 1HD1 ILE 140 HD13 ILE 140 -6.888 -10.168 -1.283 1060 2HD1 ILE 140 HD11 ILE 140 -7.913 -11.557 -0.832 1061 3HD1 ILE 140 HD12 ILE 140 -7.338 -10.443 0.413 1062 HA PRO 141 HA PRO 141 -1.586 -15.896 -3.424 1063 1HB PRO 141 HB2 PRO 141 -4.105 -17.192 -4.505 1064 2HB PRO 141 HB3 PRO 141 -2.521 -17.959 -4.192 1065 1HG PRO 141 HG2 PRO 141 -4.553 -18.187 -2.393 1066 2HG PRO 141 HG3 PRO 141 -2.891 -17.887 -1.824 1067 1HD PRO 141 HD2 PRO 141 -5.170 -15.948 -2.038 1068 2HD PRO 141 HD3 PRO 141 -3.848 -16.061 -0.835 1069 H GLY 142 H GLY 142 -0.862 -15.871 -5.580 1070 1HA GLY 142 HA2 GLY 142 -0.752 -15.306 -7.801 1071 2HA GLY 142 HA3 GLY 142 -2.486 -14.978 -7.788 1072 H HIS 143 H HIS 143 -2.557 -12.937 -5.845 1073 HA HIS 143 HA HIS 143 -2.355 -10.689 -7.415 1074 1HB HIS 143 HB2 HIS 143 -2.224 -10.863 -4.388 1075 2HB HIS 143 HB3 HIS 143 -2.538 -9.408 -5.322 1076 HD2 HIS 143 HD2 HIS 143 -4.437 -12.276 -6.885 1077 HE1 HIS 143 HE1 HIS 143 -7.205 -10.330 -4.329 1078 HE2 HIS 143 HE2 HIS 143 -6.915 -12.073 -6.161 1079 H ALA 144 H ALA 144 0.043 -11.584 -4.876 1080 HA ALA 144 HA ALA 144 1.875 -9.500 -5.306 1081 1HB ALA 144 HB3 ALA 144 1.986 -11.093 -3.421 1082 2HB ALA 144 HB1 ALA 144 2.552 -12.363 -4.533 1083 3HB ALA 144 HB2 ALA 144 3.536 -10.908 -4.268 1084 H ALA 145 H ALA 145 1.648 -12.690 -6.940 1085 HA ALA 145 HA ALA 145 4.068 -12.414 -8.470 1086 1HB ALA 145 HB2 ALA 145 3.009 -14.592 -7.935 1087 2HB ALA 145 HB3 ALA 145 1.638 -14.187 -8.985 1088 3HB ALA 145 HB1 ALA 145 3.263 -14.376 -9.672 1089 H THR 146 H THR 146 0.649 -11.704 -9.138 1090 HA THR 146 HA THR 146 1.158 -11.113 -11.942 1091 HB THR 146 HB THR 146 -1.282 -10.389 -11.856 1092 HG1 THR 146 HG1 THR 146 -1.159 -11.622 -9.304 1093 1HG2 THR 146 HG21 THR 146 -0.557 -13.207 -10.916 1094 2HG2 THR 146 HG22 THR 146 -2.103 -12.714 -11.637 1095 3HG2 THR 146 HG23 THR 146 -0.614 -12.639 -12.596 1096 H GLY 147 H GLY 147 0.021 -8.991 -9.197 1097 1HA GLY 147 HA2 GLY 147 1.635 -6.777 -10.116 1098 2HA GLY 147 HA3 GLY 147 0.025 -6.668 -10.839 1099 H MET 148 H MET 148 0.708 -7.910 -7.563 1100 HA MET 148 HA MET 148 -0.295 -5.335 -6.451 1101 1HB MET 148 HB3 MET 148 -1.810 -7.462 -6.408 1102 2HB MET 148 HB2 MET 148 -0.775 -8.035 -5.100 1103 1HG MET 148 HG3 MET 148 -1.534 -6.169 -3.730 1104 2HG MET 148 HG2 MET 148 -1.982 -5.277 -5.168 1105 1HE MET 148 HE2 MET 148 -4.020 -4.518 -5.299 1106 2HE MET 148 HE1 MET 148 -5.505 -5.185 -4.603 1107 3HE MET 148 HE3 MET 148 -4.167 -4.691 -3.522 1108 H PHE 149 H PHE 149 2.212 -5.067 -6.681 1109 HA PHE 149 HA PHE 149 3.395 -5.604 -4.074 1110 1HB PHE 149 HB2 PHE 149 5.357 -6.742 -4.953 1111 2HB PHE 149 HB3 PHE 149 3.935 -7.617 -5.457 1112 HD1 PHE 149 HD2 PHE 149 3.156 -7.578 -7.820 1113 HD2 PHE 149 HD1 PHE 149 6.806 -5.614 -6.623 1114 HE1 PHE 149 HE2 PHE 149 3.951 -7.622 -10.162 1115 HE2 PHE 149 HE1 PHE 149 7.571 -5.619 -8.979 1116 HZ PHE 149 HZ PHE 149 6.147 -6.622 -10.752 1117 H GLY 150 H GLY 150 5.874 -4.682 -4.263 1118 1HA GLY 150 HA2 GLY 150 6.729 -2.757 -6.149 1119 2HA GLY 150 HA3 GLY 150 5.775 -1.897 -4.965 1120 H LYS 151 H LYS 151 8.223 -1.144 -4.994 1121 HA LYS 151 HA LYS 151 9.919 -2.783 -3.186 1122 1HB LYS 151 HB2 LYS 151 11.091 -0.910 -5.200 1123 2HB LYS 151 HB3 LYS 151 11.735 -2.373 -4.486 1124 1HG LYS 151 HG2 LYS 151 11.364 -3.092 -6.654 1125 2HG LYS 151 HG3 LYS 151 9.847 -3.585 -5.904 1126 1HD LYS 151 HD2 LYS 151 9.034 -1.165 -6.762 1127 2HD LYS 151 HD3 LYS 151 10.467 -1.263 -7.770 1128 1HE LYS 151 HE2 LYS 151 9.646 -3.211 -8.904 1129 2HE LYS 151 HE3 LYS 151 8.320 -3.422 -7.745 1130 1HZ LYS 151 HZ1 LYS 151 8.627 -1.098 -9.505 1131 2HZ LYS 151 HZ2 LYS 151 7.620 -2.375 -9.787 1132 3HZ LYS 151 HZ3 LYS 151 7.360 -1.395 -8.493 1133 H ILE 152 H ILE 152 11.107 -1.644 -1.637 1134 HA ILE 152 HA ILE 152 10.498 1.257 -1.233 1135 HB ILE 152 HB ILE 152 10.758 -0.900 0.884 1136 1HG1 ILE 152 HG12 ILE 152 8.229 0.176 -0.354 1137 2HG1 ILE 152 HG13 ILE 152 8.797 -1.510 -0.208 1138 1HG2 ILE 152 HG21 ILE 152 11.301 1.538 1.446 1139 2HG2 ILE 152 HG22 ILE 152 9.584 1.867 1.116 1140 3HG2 ILE 152 HG23 ILE 152 10.070 0.776 2.444 1141 1HD1 ILE 152 HD13 ILE 152 8.629 -1.303 2.274 1142 2HD1 ILE 152 HD11 ILE 152 7.806 0.262 2.035 1143 3HD1 ILE 152 HD12 ILE 152 7.081 -1.225 1.411 1144 H VAL 153 H VAL 153 12.554 2.010 -1.971 1145 HA VAL 153 HA VAL 153 14.989 0.715 -0.858 1146 HB VAL 153 HB VAL 153 14.834 3.171 -2.593 1147 1HG1 VAL 153 HG12 VAL 153 17.038 1.117 -1.948 1148 2HG1 VAL 153 HG13 VAL 153 17.211 2.448 -3.113 1149 3HG1 VAL 153 HG11 VAL 153 16.970 2.793 -1.396 1150 1HG2 VAL 153 HG23 VAL 153 15.084 0.245 -3.470 1151 2HG2 VAL 153 HG21 VAL 153 13.767 1.364 -3.896 1152 3HG2 VAL 153 HG22 VAL 153 15.396 1.641 -4.521 1153 H VAL 154 H VAL 154 16.036 1.614 0.887 1154 HA VAL 154 HA VAL 154 14.958 4.174 2.001 1155 HB VAL 154 HB VAL 154 15.953 1.725 3.498 1156 1HG1 VAL 154 HG12 VAL 154 16.176 3.973 4.608 1157 2HG1 VAL 154 HG13 VAL 154 14.434 4.213 4.395 1158 3HG1 VAL 154 HG11 VAL 154 15.030 2.921 5.446 1159 1HG2 VAL 154 HG22 VAL 154 13.075 2.607 3.037 1160 2HG2 VAL 154 HG23 VAL 154 13.829 1.134 2.384 1161 3HG2 VAL 154 HG21 VAL 154 13.630 1.309 4.119 1162 H LYS 155 H LYS 155 16.616 5.743 2.050 1163 HA LYS 155 HA LYS 155 19.343 4.849 2.786 1164 1HB LYS 155 HB2 LYS 155 18.807 6.410 0.227 1165 2HB LYS 155 HB3 LYS 155 20.395 6.147 0.964 1166 1HG LYS 155 HG2 LYS 155 18.626 3.924 -0.108 1167 2HG LYS 155 HG3 LYS 155 19.922 4.707 -1.009 1168 1HD LYS 155 HD2 LYS 155 21.590 4.012 0.679 1169 2HD LYS 155 HD3 LYS 155 20.340 3.173 1.605 1170 1HE LYS 155 HE2 LYS 155 21.215 2.506 -1.238 1171 2HE LYS 155 HE3 LYS 155 21.599 1.596 0.233 1172 1HZ LYS 155 HZ1 LYS 155 19.205 1.247 0.508 1173 2HZ LYS 155 HZ2 LYS 155 18.941 1.981 -0.938 1174 3HZ LYS 155 HZ3 LYS 155 19.800 0.581 -0.880 No H/Q in entry = 1174 Start of MODEL 14 1 H GLY 1 H GLY 1 -6.680 -12.307 9.753 2 1HA GLY 1 HA2 GLY 1 -3.908 -11.436 9.766 3 2HA GLY 1 HA3 GLY 1 -4.657 -11.335 8.166 4 H THR 2 H THR 2 -5.434 -10.550 11.613 5 HA THR 2 HA THR 2 -7.132 -8.285 10.981 6 HB THR 2 HB THR 2 -6.748 -8.053 13.565 7 HG1 THR 2 HG1 THR 2 -5.868 -10.000 14.442 8 1HG2 THR 2 HG22 THR 2 -7.908 -10.649 12.427 9 2HG2 THR 2 HG23 THR 2 -8.246 -9.973 14.034 10 3HG2 THR 2 HG21 THR 2 -8.770 -9.104 12.582 11 H LEU 3 H LEU 3 -3.895 -8.843 12.252 12 HA LEU 3 HA LEU 3 -2.194 -7.490 12.791 13 1HB LEU 3 HB2 LEU 3 -2.649 -7.405 9.880 14 2HB LEU 3 HB3 LEU 3 -1.518 -6.223 10.442 15 HG LEU 3 HG LEU 3 -0.158 -7.903 9.796 16 1HD1 LEU 3 HD11 LEU 3 0.347 -7.215 12.140 17 2HD1 LEU 3 HD12 LEU 3 -0.410 -8.732 12.697 18 3HD1 LEU 3 HD13 LEU 3 0.994 -8.784 11.630 19 1HD2 LEU 3 HD23 LEU 3 -1.921 -9.617 9.395 20 2HD2 LEU 3 HD21 LEU 3 -0.535 -10.323 10.243 21 3HD2 LEU 3 HD22 LEU 3 -2.020 -9.940 11.140 22 H ASP 4 H ASP 4 -3.062 -4.903 10.558 23 HA ASP 4 HA ASP 4 -2.365 -3.078 12.697 24 1HB ASP 4 HB2 ASP 4 -1.581 -2.544 10.495 25 2HB ASP 4 HB3 ASP 4 -3.250 -2.507 9.868 26 HD1 ASP 4 HD ASP 4 -2.738 0.331 12.702 27 H THR 5 H THR 5 -3.980 -3.128 14.270 28 HA THR 5 HA THR 5 -6.749 -3.091 13.954 29 HB THR 5 HB THR 5 -6.611 -1.927 16.253 30 HG1 THR 5 HG1 THR 5 -4.445 -1.935 17.079 31 1HG2 THR 5 HG21 THR 5 -6.748 -4.394 15.972 32 2HG2 THR 5 HG22 THR 5 -4.983 -4.481 15.800 33 3HG2 THR 5 HG23 THR 5 -5.703 -3.956 17.335 34 H THR 6 H THR 6 -4.550 -0.487 13.113 35 HA THR 6 HA THR 6 -6.490 1.613 13.468 36 HB THR 6 HB THR 6 -4.061 1.833 11.653 37 HG1 THR 6 HG1 THR 6 -4.072 1.698 14.484 38 1HG2 THR 6 HG23 THR 6 -5.415 3.631 13.708 39 2HG2 THR 6 HG21 THR 6 -3.993 4.053 12.719 40 3HG2 THR 6 HG22 THR 6 -5.563 3.741 11.939 41 H TRP 7 H TRP 7 -7.972 0.004 12.268 42 HA TRP 7 HA TRP 7 -8.188 0.400 9.313 43 1HB TRP 7 HB2 TRP 7 -9.750 -1.320 11.310 44 2HB TRP 7 HB3 TRP 7 -10.090 -1.214 9.589 45 HD1 TRP 7 HD1 TRP 7 -8.385 -3.390 11.948 46 HE1 TRP 7 HE1 TRP 7 -6.804 -5.045 10.757 47 HE3 TRP 7 HE3 TRP 7 -8.306 -1.242 7.326 48 HZ2 TRP 7 HZ2 TRP 7 -5.774 -5.431 8.118 49 HZ3 TRP 7 HZ3 TRP 7 -6.829 -2.157 5.539 50 HH2 TRP 7 HH2 TRP 7 -5.589 -4.259 5.910 51 H LYS 8 H LYS 8 -9.985 1.602 8.476 52 HA LYS 8 HA LYS 8 -12.153 2.465 10.249 53 1HB LYS 8 HB2 LYS 8 -10.284 4.446 8.863 54 2HB LYS 8 HB3 LYS 8 -11.817 4.864 9.654 55 1HG LYS 8 HG2 LYS 8 -10.845 4.057 11.827 56 2HG LYS 8 HG3 LYS 8 -9.290 3.838 10.993 57 1HD LYS 8 HD2 LYS 8 -9.236 6.223 10.384 58 2HD LYS 8 HD3 LYS 8 -10.820 6.471 11.143 59 1HE LYS 8 HE2 LYS 8 -9.085 7.241 12.655 60 2HE LYS 8 HE3 LYS 8 -9.842 5.795 13.347 61 1HZ LYS 8 HZ3 LYS 8 -7.305 5.859 11.859 62 2HZ LYS 8 HZ1 LYS 8 -7.455 5.753 13.498 63 3HZ LYS 8 HZ2 LYS 8 -7.989 4.522 12.542 64 H GLU 9 H GLU 9 -13.655 3.978 8.677 65 HA GLU 9 HA GLU 9 -13.184 3.362 5.883 66 1HB GLU 9 HB2 GLU 9 -16.035 2.985 6.698 67 2HB GLU 9 HB3 GLU 9 -15.161 2.542 5.229 68 1HG GLU 9 HG2 GLU 9 -15.645 0.479 6.368 69 2HG GLU 9 HG3 GLU 9 -13.940 0.753 6.722 70 HE2 GLU 9 HE GLU 9 -14.583 0.575 10.088 71 H ALA 10 H ALA 10 -13.875 4.981 4.587 72 HA ALA 10 HA ALA 10 -15.303 7.327 5.807 73 1HB ALA 10 HB2 ALA 10 -12.832 7.703 5.279 74 2HB ALA 10 HB3 ALA 10 -13.216 7.357 3.577 75 3HB ALA 10 HB1 ALA 10 -13.973 8.738 4.444 76 H THR 11 H THR 11 -15.524 8.487 3.024 77 HA THR 11 HA THR 11 -16.900 6.350 1.536 78 HB THR 11 HB THR 11 -18.836 7.626 1.098 79 HG1 THR 11 HG1 THR 11 -17.533 9.707 2.538 80 1HG2 THR 11 HG23 THR 11 -18.914 6.472 3.281 81 2HG2 THR 11 HG21 THR 11 -18.343 7.953 4.084 82 3HG2 THR 11 HG22 THR 11 -19.899 7.941 3.242 83 H LEU 12 H LEU 12 -17.403 7.305 -0.747 84 HA LEU 12 HA LEU 12 -15.141 7.526 -2.120 85 1HB LEU 12 HB2 LEU 12 -17.314 7.159 -3.076 86 2HB LEU 12 HB3 LEU 12 -17.749 8.854 -2.918 87 HG LEU 12 HG LEU 12 -15.199 8.245 -4.401 88 1HD1 LEU 12 HD12 LEU 12 -17.952 7.659 -5.569 89 2HD1 LEU 12 HD13 LEU 12 -16.425 7.704 -6.478 90 3HD1 LEU 12 HD11 LEU 12 -16.674 6.468 -5.235 91 1HD2 LEU 12 HD23 LEU 12 -17.549 10.115 -4.973 92 2HD2 LEU 12 HD21 LEU 12 -16.015 10.595 -4.222 93 3HD2 LEU 12 HD22 LEU 12 -16.037 10.034 -5.894 94 HA PRO 13 HA PRO 13 -14.914 12.312 -2.429 95 1HB PRO 13 HB2 PRO 13 -15.897 13.764 -0.225 96 2HB PRO 13 HB3 PRO 13 -16.701 13.560 -1.806 97 1HG PRO 13 HG2 PRO 13 -17.108 11.917 0.706 98 2HG PRO 13 HG3 PRO 13 -18.359 12.615 -0.364 99 1HD PRO 13 HD2 PRO 13 -17.713 10.053 -0.605 100 2HD PRO 13 HD3 PRO 13 -17.843 11.030 -2.087 101 H GLN 14 H GLN 14 -14.704 10.635 0.749 102 HA GLN 14 HA GLN 14 -12.499 12.294 1.658 103 1HB GLN 14 HB2 GLN 14 -13.475 9.584 2.546 104 2HB GLN 14 HB3 GLN 14 -12.086 10.414 3.254 105 1HG GLN 14 HG2 GLN 14 -13.827 11.008 4.710 106 2HG GLN 14 HG3 GLN 14 -13.527 12.433 3.727 107 1HE2 GLN 14 HE22 GLN 14 -16.965 12.568 2.884 108 2HE2 GLN 14 HE21 GLN 14 -15.470 13.429 3.190 109 H VAL 15 H VAL 15 -12.779 9.578 -0.588 110 HA VAL 15 HA VAL 15 -10.049 8.701 -0.450 111 HB VAL 15 HB VAL 15 -11.770 8.927 -2.948 112 1HG1 VAL 15 HG11 VAL 15 -9.336 7.215 -2.294 113 2HG1 VAL 15 HG12 VAL 15 -10.345 7.052 -3.745 114 3HG1 VAL 15 HG13 VAL 15 -9.418 8.532 -3.480 115 1HG2 VAL 15 HG21 VAL 15 -12.898 7.564 -1.139 116 2HG2 VAL 15 HG22 VAL 15 -12.381 6.623 -2.543 117 3HG2 VAL 15 HG23 VAL 15 -11.431 6.582 -1.034 118 H LYS 16 H LYS 16 -11.629 11.406 -2.175 119 HA LYS 16 HA LYS 16 -9.271 12.343 -3.523 120 1HB LYS 16 HB2 LYS 16 -11.685 13.985 -2.675 121 2HB LYS 16 HB3 LYS 16 -10.501 14.357 -3.936 122 1HG LYS 16 HG2 LYS 16 -11.227 12.173 -5.079 123 2HG LYS 16 HG3 LYS 16 -12.591 12.132 -3.950 124 1HD LYS 16 HD2 LYS 16 -11.944 14.343 -5.957 125 2HD LYS 16 HD3 LYS 16 -13.237 13.139 -6.090 126 1HE LYS 16 HE2 LYS 16 -14.268 14.079 -3.987 127 2HE LYS 16 HE3 LYS 16 -13.024 15.344 -3.981 128 1HZ LYS 16 HZ3 LYS 16 -13.808 16.050 -6.112 129 2HZ LYS 16 HZ1 LYS 16 -14.978 14.889 -6.117 130 3HZ LYS 16 HZ2 LYS 16 -15.018 16.096 -4.996 131 H ALA 17 H ALA 17 -10.909 13.330 -0.483 132 HA ALA 17 HA ALA 17 -9.105 15.307 0.328 133 1HB ALA 17 HB1 ALA 17 -11.264 14.787 1.457 134 2HB ALA 17 HB2 ALA 17 -10.509 13.344 2.181 135 3HB ALA 17 HB3 ALA 17 -9.905 14.958 2.586 136 H MET 18 H MET 18 -8.876 11.770 0.962 137 HA MET 18 HA MET 18 -6.435 11.915 2.457 138 1HB MET 18 HB2 MET 18 -7.827 9.670 1.008 139 2HB MET 18 HB3 MET 18 -6.273 9.460 1.839 140 1HG MET 18 HG2 MET 18 -7.194 10.315 3.934 141 2HG MET 18 HG3 MET 18 -8.773 10.568 3.186 142 1HE MET 18 HE2 MET 18 -10.446 8.712 2.634 143 2HE MET 18 HE3 MET 18 -9.258 7.989 1.527 144 3HE MET 18 HE1 MET 18 -10.098 6.968 2.719 145 H LEU 19 H LEU 19 -7.028 11.095 -1.012 146 HA LEU 19 HA LEU 19 -4.347 10.827 -1.801 147 1HB LEU 19 HB2 LEU 19 -6.779 11.890 -3.272 148 2HB LEU 19 HB3 LEU 19 -5.220 11.691 -4.072 149 HG LEU 19 HG LEU 19 -6.631 9.380 -2.668 150 1HD1 LEU 19 HD12 LEU 19 -8.057 10.278 -4.489 151 2HD1 LEU 19 HD13 LEU 19 -6.686 10.191 -5.612 152 3HD1 LEU 19 HD11 LEU 19 -7.372 8.702 -4.930 153 1HD2 LEU 19 HD22 LEU 19 -4.410 9.507 -4.760 154 2HD2 LEU 19 HD23 LEU 19 -4.199 9.026 -3.062 155 3HD2 LEU 19 HD21 LEU 19 -5.161 8.021 -4.148 156 H GLU 20 H GLU 20 -6.259 13.848 -1.614 157 HA GLU 20 HA GLU 20 -4.348 15.614 -2.648 158 1HB GLU 20 HB2 GLU 20 -6.465 15.968 -0.505 159 2HB GLU 20 HB3 GLU 20 -5.523 17.316 -1.145 160 1HG GLU 20 HG2 GLU 20 -6.421 17.112 -3.325 161 2HG GLU 20 HG3 GLU 20 -7.036 15.482 -3.048 162 HE1 GLU 20 HE GLU 20 -9.068 18.421 -1.183 163 H LYS 21 H LYS 21 -4.213 13.968 0.500 164 HA LYS 21 HA LYS 21 -2.189 15.910 1.500 165 1HB LYS 21 HB2 LYS 21 -3.478 13.469 2.730 166 2HB LYS 21 HB3 LYS 21 -2.305 14.520 3.541 167 1HG LYS 21 HG2 LYS 21 -3.810 16.465 3.224 168 2HG LYS 21 HG3 LYS 21 -5.050 15.412 2.534 169 1HD LYS 21 HD2 LYS 21 -3.813 15.046 5.310 170 2HD LYS 21 HD3 LYS 21 -5.294 15.963 5.027 171 1HE LYS 21 HE2 LYS 21 -4.982 13.029 4.227 172 2HE LYS 21 HE3 LYS 21 -5.631 13.568 5.784 173 1HZ LYS 21 HZ3 LYS 21 -7.329 14.763 4.604 174 2HZ LYS 21 HZ1 LYS 21 -6.746 14.230 3.155 175 3HZ LYS 21 HZ2 LYS 21 -7.369 13.157 4.238 176 H ASP 22 H ASP 22 -2.107 13.269 -0.559 177 HA ASP 22 HA ASP 22 -0.016 11.702 0.462 178 1HB ASP 22 HB2 ASP 22 0.281 10.799 -1.651 179 2HB ASP 22 HB3 ASP 22 -1.405 11.301 -1.711 180 HD2 ASP 22 HD ASP 22 -1.792 13.253 -2.957 181 H THR 23 H THR 23 2.238 11.553 -0.013 182 HA THR 23 HA THR 23 3.592 14.011 -1.020 183 HB THR 23 HB THR 23 5.378 13.575 0.699 184 HG1 THR 23 HG1 THR 23 3.421 11.744 1.597 185 1HG2 THR 23 HG21 THR 23 3.670 15.344 1.056 186 2HG2 THR 23 HG22 THR 23 2.628 14.173 1.888 187 3HG2 THR 23 HG23 THR 23 4.204 14.606 2.579 188 H GLY 24 H GLY 24 5.830 13.415 -1.825 189 1HA GLY 24 HA2 GLY 24 7.303 11.419 -2.440 190 2HA GLY 24 HA3 GLY 24 5.827 10.668 -3.005 191 H LYS 25 H LYS 25 8.494 12.344 -3.949 192 HA LYS 25 HA LYS 25 7.426 14.050 -6.032 193 1HB LYS 25 HB2 LYS 25 10.204 13.064 -5.325 194 2HB LYS 25 HB3 LYS 25 9.878 14.249 -6.591 195 1HG LYS 25 HG2 LYS 25 9.353 15.936 -5.100 196 2HG LYS 25 HG3 LYS 25 8.714 14.838 -3.878 197 1HD LYS 25 HD2 LYS 25 10.761 15.878 -3.087 198 2HD LYS 25 HD3 LYS 25 10.941 14.123 -3.213 199 1HE LYS 25 HE2 LYS 25 12.202 14.363 -5.314 200 2HE LYS 25 HE3 LYS 25 11.947 16.119 -5.297 201 1HZ LYS 25 HZ3 LYS 25 13.362 14.611 -3.203 202 2HZ LYS 25 HZ1 LYS 25 14.095 15.425 -4.441 203 3HZ LYS 25 HZ2 LYS 25 13.218 16.247 -3.315 204 H VAL 26 H VAL 26 6.808 13.367 -7.949 205 HA VAL 26 HA VAL 26 6.691 10.672 -8.771 206 HB VAL 26 HB VAL 26 6.378 13.252 -10.375 207 1HG1 VAL 26 HG13 VAL 26 6.512 11.211 -11.811 208 2HG1 VAL 26 HG11 VAL 26 5.193 10.502 -10.841 209 3HG1 VAL 26 HG12 VAL 26 4.899 11.943 -11.828 210 1HG2 VAL 26 HG23 VAL 26 4.378 11.662 -8.718 211 2HG2 VAL 26 HG21 VAL 26 4.877 13.340 -8.441 212 3HG2 VAL 26 HG22 VAL 26 3.933 12.937 -9.872 213 H SER 27 H SER 27 8.440 9.430 -9.429 214 HA SER 27 HA SER 27 10.595 10.710 -11.053 215 1HB SER 27 HB2 SER 27 10.970 8.658 -8.848 216 2HB SER 27 HB3 SER 27 12.209 9.547 -9.738 217 HG SER 27 HG SER 27 10.221 10.728 -8.042 218 H GLY 28 H GLY 28 9.016 9.754 -12.745 219 1HA GLY 28 HA2 GLY 28 8.927 8.337 -14.534 220 2HA GLY 28 HA3 GLY 28 10.383 7.542 -13.930 221 H ASP 29 H ASP 29 10.164 5.631 -12.658 222 HA ASP 29 HA ASP 29 7.462 4.334 -12.606 223 1HB ASP 29 HB2 ASP 29 8.592 2.269 -12.511 224 2HB ASP 29 HB3 ASP 29 9.511 3.177 -13.727 225 HD1 ASP 29 HD ASP 29 11.756 4.037 -10.952 226 H THR 30 H THR 30 9.803 5.996 -10.716 227 HA THR 30 HA THR 30 9.129 4.559 -8.247 228 HB THR 30 HB THR 30 11.489 6.353 -8.969 229 HG1 THR 30 HG1 THR 30 12.623 4.334 -8.900 230 1HG2 THR 30 HG21 THR 30 11.080 4.602 -6.524 231 2HG2 THR 30 HG22 THR 30 12.582 5.417 -7.000 232 3HG2 THR 30 HG23 THR 30 11.176 6.377 -6.558 233 H VAL 31 H VAL 31 8.645 5.796 -6.368 234 HA VAL 31 HA VAL 31 8.043 8.706 -6.791 235 HB VAL 31 HB VAL 31 6.534 6.588 -5.228 236 1HG1 VAL 31 HG11 VAL 31 7.020 8.581 -3.722 237 2HG1 VAL 31 HG12 VAL 31 6.312 9.615 -4.984 238 3HG1 VAL 31 HG13 VAL 31 5.317 8.401 -4.143 239 1HG2 VAL 31 HG23 VAL 31 5.688 8.739 -7.200 240 2HG2 VAL 31 HG21 VAL 31 5.820 6.994 -7.510 241 3HG2 VAL 31 HG22 VAL 31 4.613 7.600 -6.361 242 H THR 32 H THR 32 9.217 10.056 -5.471 243 HA THR 32 HA THR 32 11.260 8.693 -3.759 244 HB THR 32 HB THR 32 11.517 11.180 -5.473 245 HG1 THR 32 HG1 THR 32 11.949 9.813 -6.956 246 1HG2 THR 32 HG21 THR 32 13.568 9.618 -3.840 247 2HG2 THR 32 HG22 THR 32 13.941 10.912 -4.996 248 3HG2 THR 32 HG23 THR 32 13.021 11.279 -3.527 249 H TYR 33 H TYR 33 11.112 9.149 -1.674 250 HA TYR 33 HA TYR 33 9.659 11.578 -0.764 251 1HB TYR 33 HB2 TYR 33 10.641 9.073 0.642 252 2HB TYR 33 HB3 TYR 33 9.914 10.456 1.451 253 HD1 TYR 33 HD2 TYR 33 7.532 10.998 1.151 254 HD2 TYR 33 HD1 TYR 33 9.286 7.638 -0.909 255 HE1 TYR 33 HE2 TYR 33 5.292 10.224 0.469 256 HE2 TYR 33 HE1 TYR 33 7.053 7.015 -1.778 257 HH TYR 33 HH TYR 33 4.275 9.190 -1.263 258 H SER 34 H SER 34 10.706 13.018 0.740 259 HA SER 34 HA SER 34 13.626 12.892 1.055 260 1HB SER 34 HB2 SER 34 12.377 15.140 -0.585 261 2HB SER 34 HB3 SER 34 14.086 14.923 -0.178 262 HG SER 34 HG SER 34 13.517 12.703 -1.312 263 H GLY 35 H GLY 35 11.861 12.742 3.100 264 1HA GLY 35 HA2 GLY 35 12.600 14.977 4.695 265 2HA GLY 35 HA3 GLY 35 10.865 15.047 4.286 266 H LYS 36 H LYS 36 11.620 14.640 6.948 267 HA LYS 36 HA LYS 36 11.759 11.818 7.589 268 1HB LYS 36 HB2 LYS 36 11.035 14.156 9.378 269 2HB LYS 36 HB3 LYS 36 11.481 12.521 9.889 270 1HG LYS 36 HG2 LYS 36 13.704 12.848 8.686 271 2HG LYS 36 HG3 LYS 36 13.289 14.559 8.507 272 1HD LYS 36 HD2 LYS 36 13.553 13.018 11.134 273 2HD LYS 36 HD3 LYS 36 14.733 14.153 10.462 274 1HE LYS 36 HE2 LYS 36 13.018 15.986 10.610 275 2HE LYS 36 HE3 LYS 36 11.904 14.847 11.393 276 1HZ LYS 36 HZ3 LYS 36 13.499 14.571 13.137 277 2HZ LYS 36 HZ1 LYS 36 14.532 15.637 12.421 278 3HZ LYS 36 HZ2 LYS 36 13.070 16.154 12.978 279 H THR 37 H THR 37 9.111 14.261 7.386 280 HA THR 37 HA THR 37 7.072 12.347 8.247 281 HB THR 37 HB THR 37 5.624 14.308 7.377 282 HG1 THR 37 HG1 THR 37 7.304 15.170 6.080 283 1HG2 THR 37 HG23 THR 37 6.168 13.847 9.729 284 2HG2 THR 37 HG21 THR 37 7.679 14.771 9.586 285 3HG2 THR 37 HG22 THR 37 6.112 15.601 9.419 286 H VAL 38 H VAL 38 6.867 10.671 6.906 287 HA VAL 38 HA VAL 38 6.575 11.149 3.945 288 HB VAL 38 HB VAL 38 7.599 8.806 5.535 289 1HG1 VAL 38 HG13 VAL 38 6.581 8.882 2.666 290 2HG1 VAL 38 HG11 VAL 38 7.632 7.604 3.299 291 3HG1 VAL 38 HG12 VAL 38 6.000 7.833 3.953 292 1HG2 VAL 38 HG21 VAL 38 8.683 10.472 3.265 293 2HG2 VAL 38 HG22 VAL 38 9.226 10.475 4.945 294 3HG2 VAL 38 HG23 VAL 38 9.478 9.033 3.945 295 H HIS 39 H HIS 39 4.569 10.998 3.159 296 HA HIS 39 HA HIS 39 2.574 9.366 4.637 297 1HB HIS 39 HB2 HIS 39 2.178 11.695 5.236 298 2HB HIS 39 HB3 HIS 39 2.106 12.143 3.526 299 HD1 HIS 39 HD1 HIS 39 -0.391 12.565 3.015 300 HD2 HIS 39 HD2 HIS 39 0.339 9.139 5.372 301 HE1 HIS 39 HE1 HIS 39 -2.646 11.344 3.284 302 HE2 HIS 39 HE2 HIS 39 -2.172 9.277 4.737 303 H VAL 40 H VAL 40 2.434 7.691 3.308 304 HA VAL 40 HA VAL 40 2.169 8.072 0.373 305 HB VAL 40 HB VAL 40 2.185 5.474 1.949 306 1HG1 VAL 40 HG12 VAL 40 1.383 5.318 -0.385 307 2HG1 VAL 40 HG13 VAL 40 2.864 6.121 -0.954 308 3HG1 VAL 40 HG11 VAL 40 2.945 4.518 -0.200 309 1HG2 VAL 40 HG22 VAL 40 4.588 6.964 0.842 310 2HG2 VAL 40 HG23 VAL 40 4.285 6.547 2.540 311 3HG2 VAL 40 HG21 VAL 40 4.601 5.270 1.365 312 H VAL 41 H VAL 41 0.179 7.567 -0.662 313 HA VAL 41 HA VAL 41 -2.100 6.717 1.039 314 HB VAL 41 HB VAL 41 -2.236 8.733 -1.226 315 1HG1 VAL 41 HG13 VAL 41 -4.311 7.641 0.724 316 2HG1 VAL 41 HG11 VAL 41 -4.580 8.983 -0.400 317 3HG1 VAL 41 HG12 VAL 41 -4.257 7.356 -1.032 318 1HG2 VAL 41 HG23 VAL 41 -1.179 9.723 0.802 319 2HG2 VAL 41 HG21 VAL 41 -2.796 10.367 0.516 320 3HG2 VAL 41 HG22 VAL 41 -2.543 9.140 1.773 321 H ALA 42 H ALA 42 -2.551 4.685 0.398 322 HA ALA 42 HA ALA 42 -1.905 3.829 -2.398 323 1HB ALA 42 HB3 ALA 42 -1.629 2.310 0.209 324 2HB ALA 42 HB1 ALA 42 -1.340 1.654 -1.417 325 3HB ALA 42 HB2 ALA 42 -0.311 2.957 -0.789 326 H ALA 43 H ALA 43 -3.768 3.446 -3.556 327 HA ALA 43 HA ALA 43 -6.118 2.398 -2.083 328 1HB ALA 43 HB1 ALA 43 -6.475 4.253 -3.688 329 2HB ALA 43 HB2 ALA 43 -5.869 3.209 -4.996 330 3HB ALA 43 HB3 ALA 43 -7.336 2.758 -4.105 331 H ALA 44 H ALA 44 -6.983 0.293 -2.689 332 HA ALA 44 HA ALA 44 -5.133 -1.397 -4.362 333 1HB ALA 44 HB3 ALA 44 -4.941 -1.824 -1.855 334 2HB ALA 44 HB1 ALA 44 -6.591 -2.474 -1.957 335 3HB ALA 44 HB2 ALA 44 -5.298 -3.195 -2.922 336 H VAL 45 H VAL 45 -6.162 -1.776 -6.196 337 HA VAL 45 HA VAL 45 -7.813 -1.884 -7.713 338 HB VAL 45 HB VAL 45 -8.930 -3.982 -5.824 339 1HG1 VAL 45 HG12 VAL 45 -8.954 -3.655 -8.861 340 2HG1 VAL 45 HG13 VAL 45 -9.565 -5.077 -7.989 341 3HG1 VAL 45 HG11 VAL 45 -10.366 -3.513 -7.806 342 1HG2 VAL 45 HG23 VAL 45 -6.613 -4.125 -7.787 343 2HG2 VAL 45 HG21 VAL 45 -6.566 -4.400 -6.026 344 3HG2 VAL 45 HG22 VAL 45 -7.420 -5.539 -7.073 345 H LEU 46 H LEU 46 -8.756 0.205 -7.558 346 HA LEU 46 HA LEU 46 -10.963 0.679 -5.728 347 1HB LEU 46 HB2 LEU 46 -9.881 2.160 -8.136 348 2HB LEU 46 HB3 LEU 46 -11.264 2.741 -7.207 349 HG LEU 46 HG LEU 46 -8.566 2.153 -5.928 350 1HD1 LEU 46 HD11 LEU 46 -9.573 4.783 -7.091 351 2HD1 LEU 46 HD12 LEU 46 -8.100 4.580 -6.118 352 3HD1 LEU 46 HD13 LEU 46 -8.222 3.808 -7.708 353 1HD2 LEU 46 HD21 LEU 46 -10.968 3.868 -5.110 354 2HD2 LEU 46 HD22 LEU 46 -10.441 2.361 -4.325 355 3HD2 LEU 46 HD23 LEU 46 -9.435 3.812 -4.232 356 HA PRO 47 HA PRO 47 -14.055 -1.554 -8.164 357 1HB PRO 47 HB2 PRO 47 -15.695 0.760 -7.076 358 2HB PRO 47 HB3 PRO 47 -16.190 -0.947 -7.289 359 1HG PRO 47 HG2 PRO 47 -15.346 -0.119 -4.854 360 2HG PRO 47 HG3 PRO 47 -14.701 -1.649 -5.529 361 1HD PRO 47 HD2 PRO 47 -13.382 1.069 -5.465 362 2HD PRO 47 HD3 PRO 47 -12.693 -0.552 -5.128 363 H GLY 48 H GLY 48 -13.805 -1.364 -10.307 364 1HA GLY 48 HA2 GLY 48 -14.849 -0.015 -12.269 365 2HA GLY 48 HA3 GLY 48 -13.812 1.292 -11.656 366 H PHE 49 H PHE 49 -11.609 -0.171 -10.742 367 HA PHE 49 HA PHE 49 -10.261 -0.879 -13.261 368 1HB PHE 49 HB2 PHE 49 -9.332 -0.736 -10.375 369 2HB PHE 49 HB3 PHE 49 -8.314 -1.238 -11.716 370 HD1 PHE 49 HD1 PHE 49 -10.215 1.641 -10.308 371 HD2 PHE 49 HD2 PHE 49 -7.479 0.353 -13.376 372 HE1 PHE 49 HE1 PHE 49 -9.656 4.005 -10.794 373 HE2 PHE 49 HE2 PHE 49 -7.011 2.720 -13.938 374 HZ PHE 49 HZ PHE 49 -8.051 4.550 -12.613 375 HA PRO 50 HA PRO 50 -11.728 -5.053 -12.232 376 1HB PRO 50 HB2 PRO 50 -11.282 -6.345 -14.566 377 2HB PRO 50 HB3 PRO 50 -12.451 -5.004 -14.456 378 1HG PRO 50 HG2 PRO 50 -9.553 -4.814 -15.346 379 2HG PRO 50 HG3 PRO 50 -11.000 -4.262 -16.241 380 1HD PRO 50 HD2 PRO 50 -9.547 -2.575 -14.664 381 2HD PRO 50 HD3 PRO 50 -11.328 -2.451 -14.763 382 H PHE 51 H PHE 51 -9.587 -4.582 -10.793 383 HA PHE 51 HA PHE 51 -7.792 -5.497 -9.754 384 1HB PHE 51 HB2 PHE 51 -8.720 -7.946 -11.320 385 2HB PHE 51 HB3 PHE 51 -7.347 -8.021 -10.290 386 HD1 PHE 51 HD2 PHE 51 -10.972 -7.057 -10.258 387 HD2 PHE 51 HD1 PHE 51 -7.620 -8.630 -8.041 388 HE1 PHE 51 HE2 PHE 51 -12.489 -7.696 -8.413 389 HE2 PHE 51 HE1 PHE 51 -9.164 -9.306 -6.218 390 HZ PHE 51 HZ PHE 51 -11.575 -8.807 -6.388 391 HA PRO 52 HA PRO 52 -6.027 -6.747 -9.056 392 1HB PRO 52 HB2 PRO 52 -3.850 -8.277 -9.165 393 2HB PRO 52 HB3 PRO 52 -5.158 -8.689 -10.297 394 1HG PRO 52 HG2 PRO 52 -2.654 -7.083 -10.881 395 2HG PRO 52 HG3 PRO 52 -3.364 -8.412 -11.836 396 1HD PRO 52 HD2 PRO 52 -3.824 -5.622 -12.216 397 2HD PRO 52 HD3 PRO 52 -4.814 -6.946 -12.882 398 H SER 53 H SER 53 -5.056 -3.982 -9.984 399 HA SER 53 HA SER 53 -2.340 -3.755 -9.065 400 1HB SER 53 HB2 SER 53 -2.847 -1.357 -9.825 401 2HB SER 53 HB3 SER 53 -3.055 -2.637 -11.042 402 HG SER 53 HG SER 53 -5.190 -1.781 -9.382 403 H PHE 54 H PHE 54 -1.461 -2.660 -7.458 404 HA PHE 54 HA PHE 54 -3.033 -1.413 -5.272 405 1HB PHE 54 HB2 PHE 54 -0.067 -1.976 -5.781 406 2HB PHE 54 HB3 PHE 54 -0.561 -0.771 -4.613 407 HD1 PHE 54 HD2 PHE 54 -2.778 -1.780 -3.127 408 HD2 PHE 54 HD1 PHE 54 0.890 -3.724 -4.361 409 HE1 PHE 54 HE2 PHE 54 -2.999 -3.408 -1.276 410 HE2 PHE 54 HE1 PHE 54 0.731 -5.219 -2.415 411 HZ PHE 54 HZ PHE 54 -1.224 -5.063 -0.881 412 H GLU 55 H GLU 55 -3.768 0.581 -5.894 413 HA GLU 55 HA GLU 55 -2.300 2.006 -8.051 414 1HB GLU 55 HB2 GLU 55 -5.021 2.887 -7.234 415 2HB GLU 55 HB3 GLU 55 -4.163 2.839 -8.802 416 1HG GLU 55 HG2 GLU 55 -4.430 0.402 -8.917 417 2HG GLU 55 HG3 GLU 55 -5.362 0.415 -7.405 418 HE1 GLU 55 HE GLU 55 -7.082 2.090 -10.636 419 H VAL 56 H VAL 56 -0.672 3.158 -7.016 420 HA VAL 56 HA VAL 56 -1.236 4.290 -4.344 421 HB VAL 56 HB VAL 56 1.389 3.997 -5.850 422 1HG1 VAL 56 HG12 VAL 56 0.810 4.997 -3.047 423 2HG1 VAL 56 HG13 VAL 56 2.414 4.544 -3.664 424 3HG1 VAL 56 HG11 VAL 56 1.550 5.891 -4.404 425 1HG2 VAL 56 HG22 VAL 56 0.190 2.458 -3.511 426 2HG2 VAL 56 HG23 VAL 56 0.492 1.822 -5.143 427 3HG2 VAL 56 HG21 VAL 56 1.849 2.284 -4.111 428 H HIS 57 H HIS 57 -1.003 6.489 -3.914 429 HA HIS 57 HA HIS 57 -2.461 8.196 -5.018 430 1HB HIS 57 HB2 HIS 57 -1.093 10.103 -4.334 431 2HB HIS 57 HB3 HIS 57 -1.173 8.806 -3.143 432 HD1 HIS 57 HD1 HIS 57 1.334 10.774 -5.146 433 HD2 HIS 57 HD2 HIS 57 1.083 7.468 -2.551 434 HE1 HIS 57 HE1 HIS 57 3.715 10.259 -4.407 435 HE2 HIS 57 HE2 HIS 57 3.567 8.252 -2.813 436 H ASP 58 H ASP 58 0.807 8.142 -6.524 437 HA ASP 58 HA ASP 58 -0.408 9.551 -8.889 438 1HB ASP 58 HB2 ASP 58 1.276 10.834 -7.523 439 2HB ASP 58 HB3 ASP 58 2.504 9.663 -8.035 440 HD1 ASP 58 HD ASP 58 2.244 9.583 -10.828 441 H LYS 59 H LYS 59 0.594 6.436 -8.029 442 HA LYS 59 HA LYS 59 1.279 5.755 -10.791 443 1HB LYS 59 HB2 LYS 59 3.247 5.198 -8.547 444 2HB LYS 59 HB3 LYS 59 3.366 4.665 -10.242 445 1HG LYS 59 HG2 LYS 59 3.400 7.265 -10.710 446 2HG LYS 59 HG3 LYS 59 3.909 7.353 -8.992 447 1HD LYS 59 HD2 LYS 59 5.788 5.818 -9.481 448 2HD LYS 59 HD3 LYS 59 5.275 5.678 -11.166 449 1HE LYS 59 HE2 LYS 59 6.049 8.320 -9.847 450 2HE LYS 59 HE3 LYS 59 7.147 7.305 -10.795 451 1HZ LYS 59 HZ1 LYS 59 4.660 8.426 -11.864 452 2HZ LYS 59 HZ2 LYS 59 6.172 9.037 -12.102 453 3HZ LYS 59 HZ3 LYS 59 5.809 7.543 -12.671 454 H LYS 60 H LYS 60 0.998 3.457 -11.145 455 HA LYS 60 HA LYS 60 -0.311 2.056 -8.852 456 1HB LYS 60 HB2 LYS 60 -0.298 1.222 -11.732 457 2HB LYS 60 HB3 LYS 60 -1.345 0.657 -10.417 458 1HG LYS 60 HG2 LYS 60 -2.272 3.031 -10.289 459 2HG LYS 60 HG3 LYS 60 -1.370 3.386 -11.773 460 1HD LYS 60 HD2 LYS 60 -2.533 1.418 -12.870 461 2HD LYS 60 HD3 LYS 60 -3.573 1.297 -11.441 462 1HE LYS 60 HE2 LYS 60 -3.308 3.731 -13.279 463 2HE LYS 60 HE3 LYS 60 -4.641 2.567 -13.269 464 1HZ LYS 60 HZ3 LYS 60 -5.136 3.218 -11.030 465 2HZ LYS 60 HZ1 LYS 60 -3.904 4.321 -11.035 466 3HZ LYS 60 HZ2 LYS 60 -5.192 4.517 -12.043 467 H ASN 61 H ASN 61 0.752 0.584 -7.782 468 HA ASN 61 HA ASN 61 2.345 -0.828 -7.078 469 1HB ASN 61 HB2 ASN 61 2.777 -1.950 -9.845 470 2HB ASN 61 HB3 ASN 61 2.544 -2.750 -8.310 471 1HD2 ASN 61 HD21 ASN 61 -0.746 -1.491 -10.491 472 2HD2 ASN 61 HD22 ASN 61 0.894 -1.032 -10.936 473 HA PRO 62 HA PRO 62 5.794 1.645 -9.199 474 1HB PRO 62 HB2 PRO 62 6.165 3.847 -7.670 475 2HB PRO 62 HB3 PRO 62 4.781 3.682 -8.773 476 1HG PRO 62 HG2 PRO 62 4.851 2.989 -5.789 477 2HG PRO 62 HG3 PRO 62 3.756 4.165 -6.561 478 1HD PRO 62 HD2 PRO 62 2.947 1.605 -6.214 479 2HD PRO 62 HD3 PRO 62 2.626 2.486 -7.731 480 H THR 63 H THR 63 7.896 2.400 -8.416 481 HA THR 63 HA THR 63 8.979 0.750 -6.207 482 HB THR 63 HB THR 63 10.267 2.648 -8.209 483 HG1 THR 63 HG1 THR 63 10.335 1.044 -9.527 484 1HG2 THR 63 HG22 THR 63 11.458 0.556 -6.362 485 2HG2 THR 63 HG23 THR 63 12.352 1.406 -7.654 486 3HG2 THR 63 HG21 THR 63 11.729 2.320 -6.273 487 H LEU 64 H LEU 64 9.903 1.824 -4.296 488 HA LEU 64 HA LEU 64 9.245 4.742 -4.025 489 1HB LEU 64 HB2 LEU 64 8.995 2.519 -1.982 490 2HB LEU 64 HB3 LEU 64 9.193 4.219 -1.566 491 HG LEU 64 HG LEU 64 7.141 4.705 -3.045 492 1HD1 LEU 64 HD11 LEU 64 6.759 1.720 -2.550 493 2HD1 LEU 64 HD12 LEU 64 5.498 2.826 -3.130 494 3HD1 LEU 64 HD13 LEU 64 6.902 2.488 -4.146 495 1HD2 LEU 64 HD22 LEU 64 7.173 4.867 -0.581 496 2HD2 LEU 64 HD23 LEU 64 5.634 4.206 -1.152 497 3HD2 LEU 64 HD21 LEU 64 6.859 3.124 -0.454 498 H GLU 65 H GLU 65 10.887 6.036 -3.531 499 HA GLU 65 HA GLU 65 13.481 4.862 -2.557 500 1HB GLU 65 HB2 GLU 65 12.845 7.160 -4.421 501 2HB GLU 65 HB3 GLU 65 14.283 7.246 -3.397 502 1HG GLU 65 HG2 GLU 65 13.713 4.816 -5.139 503 2HG GLU 65 HG3 GLU 65 14.582 6.242 -5.751 504 HE2 GLU 65 HE GLU 65 17.148 4.011 -4.723 505 H ILE 66 H ILE 66 13.637 5.148 -0.430 506 HA ILE 66 HA ILE 66 12.174 7.411 0.849 507 HB ILE 66 HB ILE 66 12.445 4.464 1.372 508 1HG1 ILE 66 HG12 ILE 66 10.162 6.478 1.162 509 2HG1 ILE 66 HG13 ILE 66 10.548 5.124 0.091 510 1HG2 ILE 66 HG23 ILE 66 13.037 5.547 3.574 511 2HG2 ILE 66 HG21 ILE 66 11.479 6.401 3.526 512 3HG2 ILE 66 HG22 ILE 66 11.551 4.627 3.588 513 1HD1 ILE 66 HD11 ILE 66 10.005 3.606 2.110 514 2HD1 ILE 66 HD12 ILE 66 9.339 5.061 2.874 515 3HD1 ILE 66 HD13 ILE 66 8.646 4.470 1.361 516 HA PRO 67 HA PRO 67 16.067 8.078 3.034 517 1HB PRO 67 HB2 PRO 67 15.347 10.072 4.716 518 2HB PRO 67 HB3 PRO 67 15.512 10.324 2.953 519 1HG PRO 67 HG2 PRO 67 12.986 9.925 4.543 520 2HG PRO 67 HG3 PRO 67 13.283 11.064 3.209 521 1HD PRO 67 HD2 PRO 67 12.038 8.576 2.986 522 2HD PRO 67 HD3 PRO 67 12.852 9.428 1.629 523 H ALA 68 H ALA 68 16.783 6.776 4.650 524 HA ALA 68 HA ALA 68 15.272 5.074 6.235 525 1HB ALA 68 HB3 ALA 68 17.717 4.877 5.744 526 2HB ALA 68 HB1 ALA 68 18.021 6.212 6.868 527 3HB ALA 68 HB2 ALA 68 17.343 4.684 7.470 528 H GLY 69 H GLY 69 14.754 4.997 8.493 529 1HA GLY 69 HA2 GLY 69 14.350 5.807 10.600 530 2HA GLY 69 HA3 GLY 69 15.219 7.294 10.210 531 H ALA 70 H ALA 70 13.460 7.911 7.853 532 HA ALA 70 HA ALA 70 11.675 9.679 8.916 533 1HB ALA 70 HB3 ALA 70 11.433 8.046 6.351 534 2HB ALA 70 HB1 ALA 70 10.550 9.543 6.679 535 3HB ALA 70 HB2 ALA 70 12.321 9.572 6.582 536 H THR 71 H THR 71 9.393 9.769 9.185 537 HA THR 71 HA THR 71 8.206 7.281 10.264 538 HB THR 71 HB THR 71 6.970 10.062 10.151 539 HG1 THR 71 HG1 THR 71 8.997 9.933 11.324 540 1HG2 THR 71 HG21 THR 71 6.455 7.543 11.823 541 2HG2 THR 71 HG22 THR 71 5.652 9.114 12.060 542 3HG2 THR 71 HG23 THR 71 5.399 8.208 10.559 543 H VAL 72 H VAL 72 7.838 6.028 8.487 544 HA VAL 72 HA VAL 72 6.564 7.056 6.053 545 HB VAL 72 HB VAL 72 7.334 4.207 6.845 546 1HG1 VAL 72 HG13 VAL 72 6.472 5.534 4.209 547 2HG1 VAL 72 HG11 VAL 72 7.105 3.878 4.351 548 3HG1 VAL 72 HG12 VAL 72 5.560 4.301 5.101 549 1HG2 VAL 72 HG21 VAL 72 9.283 5.826 6.590 550 2HG2 VAL 72 HG22 VAL 72 9.223 4.578 5.332 551 3HG2 VAL 72 HG23 VAL 72 8.690 6.237 4.984 552 H ASP 73 H ASP 73 4.681 7.889 6.723 553 HA ASP 73 HA ASP 73 2.677 6.257 8.170 554 1HB ASP 73 HB2 ASP 73 2.354 9.005 6.890 555 2HB ASP 73 HB3 ASP 73 1.252 8.189 7.988 556 HD1 ASP 73 HD ASP 73 4.441 9.625 7.785 557 H VAL 74 H VAL 74 1.096 5.095 7.043 558 HA VAL 74 HA VAL 74 0.926 5.500 4.086 559 HB VAL 74 HB VAL 74 1.143 2.850 5.505 560 1HG1 VAL 74 HG11 VAL 74 0.888 3.615 2.551 561 2HG1 VAL 74 HG12 VAL 74 1.284 1.988 3.118 562 3HG1 VAL 74 HG13 VAL 74 -0.289 2.698 3.509 563 1HG2 VAL 74 HG21 VAL 74 3.176 4.315 3.796 564 2HG2 VAL 74 HG22 VAL 74 3.323 3.840 5.505 565 3HG2 VAL 74 HG23 VAL 74 3.283 2.602 4.249 566 H THR 75 H THR 75 -1.048 6.215 3.756 567 HA THR 75 HA THR 75 -3.299 5.239 5.376 568 HB THR 75 HB THR 75 -3.102 7.406 3.273 569 HG1 THR 75 HG1 THR 75 -3.429 7.436 6.105 570 1HG2 THR 75 HG23 THR 75 -5.467 6.556 5.005 571 2HG2 THR 75 HG21 THR 75 -5.365 8.072 4.082 572 3HG2 THR 75 HG22 THR 75 -5.387 6.521 3.233 573 H PHE 76 H PHE 76 -4.603 3.620 4.587 574 HA PHE 76 HA PHE 76 -4.178 2.692 1.782 575 1HB PHE 76 HB2 PHE 76 -5.494 1.492 4.216 576 2HB PHE 76 HB3 PHE 76 -5.988 0.927 2.667 577 HD1 PHE 76 HD1 PHE 76 -3.457 0.794 1.091 578 HD2 PHE 76 HD2 PHE 76 -4.729 -0.681 4.948 579 HE1 PHE 76 HE1 PHE 76 -3.131 -1.501 0.335 580 HE2 PHE 76 HE2 PHE 76 -4.271 -2.969 4.212 581 HZ PHE 76 HZ PHE 76 -3.643 -3.391 1.855 582 H ILE 77 H ILE 77 -5.883 2.323 0.408 583 HA ILE 77 HA ILE 77 -8.664 2.807 1.263 584 HB ILE 77 HB ILE 77 -7.521 4.105 -1.253 585 1HG1 ILE 77 HG12 ILE 77 -9.268 5.877 -0.011 586 2HG1 ILE 77 HG13 ILE 77 -8.661 5.049 1.386 587 1HG2 ILE 77 HG21 ILE 77 -10.386 3.631 -0.384 588 2HG2 ILE 77 HG22 ILE 77 -9.899 4.664 -1.752 589 3HG2 ILE 77 HG23 ILE 77 -9.645 2.936 -1.841 590 1HD1 ILE 77 HD11 ILE 77 -6.282 5.559 0.561 591 2HD1 ILE 77 HD12 ILE 77 -7.020 6.478 -0.769 592 3HD1 ILE 77 HD13 ILE 77 -7.246 7.005 0.907 593 H ASN 78 H ASN 78 -8.189 0.609 1.663 594 HA ASN 78 HA ASN 78 -7.799 -1.150 -0.723 595 1HB ASN 78 HB2 ASN 78 -6.117 -1.527 0.890 596 2HB ASN 78 HB3 ASN 78 -7.245 -1.581 2.240 597 1HD2 ASN 78 HD22 ASN 78 -6.726 -5.083 1.870 598 2HD2 ASN 78 HD21 ASN 78 -6.126 -3.658 2.684 599 H THR 79 H THR 79 -9.938 -0.568 -1.357 600 HA THR 79 HA THR 79 -12.163 -1.407 0.372 601 HB THR 79 HB THR 79 -13.485 -0.143 -1.351 602 HG1 THR 79 HG1 THR 79 -12.116 1.090 -2.825 603 1HG2 THR 79 HG21 THR 79 -12.403 0.912 0.663 604 2HG2 THR 79 HG22 THR 79 -11.043 1.388 -0.353 605 3HG2 THR 79 HG23 THR 79 -12.668 2.013 -0.698 606 H ASN 80 H ASN 80 -11.820 -1.598 -3.122 607 HA ASN 80 HA ASN 80 -12.126 -3.179 -4.677 608 1HB ASN 80 HB2 ASN 80 -10.280 -4.339 -3.676 609 2HB ASN 80 HB3 ASN 80 -11.331 -5.132 -2.480 610 1HD2 ASN 80 HD22 ASN 80 -11.402 -6.307 -6.447 611 2HD2 ASN 80 HD21 ASN 80 -10.929 -4.679 -5.989 612 H LYS 81 H LYS 81 -13.668 -4.335 -1.750 613 HA LYS 81 HA LYS 81 -15.835 -4.619 -1.240 614 1HB LYS 81 HB2 LYS 81 -16.584 -4.915 -4.177 615 2HB LYS 81 HB3 LYS 81 -17.662 -4.940 -2.790 616 1HG LYS 81 HG2 LYS 81 -17.010 -2.640 -2.178 617 2HG LYS 81 HG3 LYS 81 -16.018 -2.531 -3.648 618 1HD LYS 81 HD2 LYS 81 -18.013 -3.000 -5.045 619 2HD LYS 81 HD3 LYS 81 -18.995 -3.193 -3.584 620 1HE LYS 81 HE2 LYS 81 -18.403 -0.785 -2.979 621 2HE LYS 81 HE3 LYS 81 -17.691 -0.632 -4.598 622 1HZ LYS 81 HZ3 LYS 81 -19.842 -1.235 -5.494 623 2HZ LYS 81 HZ1 LYS 81 -20.465 -1.349 -3.967 624 3HZ LYS 81 HZ2 LYS 81 -19.954 0.112 -4.546 625 H GLY 82 H GLY 82 -13.680 -6.468 -1.341 626 1HA GLY 82 HA2 GLY 82 -15.026 -8.742 -0.459 627 2HA GLY 82 HA3 GLY 82 -14.652 -9.059 -2.161 628 H PHE 83 H PHE 83 -12.271 -8.118 -2.701 629 HA PHE 83 HA PHE 83 -10.565 -9.963 -1.175 630 1HB PHE 83 HB2 PHE 83 -10.074 -8.314 -3.675 631 2HB PHE 83 HB3 PHE 83 -8.902 -9.353 -2.904 632 HD1 PHE 83 HD2 PHE 83 -12.466 -9.565 -4.227 633 HD2 PHE 83 HD1 PHE 83 -8.684 -11.557 -3.664 634 HE1 PHE 83 HE2 PHE 83 -13.270 -11.475 -5.556 635 HE2 PHE 83 HE1 PHE 83 -9.496 -13.466 -5.019 636 HZ PHE 83 HZ PHE 83 -11.783 -13.417 -5.986 637 H GLY 84 H GLY 84 -10.424 -8.870 0.834 638 1HA GLY 84 HA2 GLY 84 -9.432 -6.256 1.301 639 2HA GLY 84 HA3 GLY 84 -9.225 -7.629 2.370 640 H HIS 85 H HIS 85 -7.825 -6.008 -0.463 641 HA HIS 85 HA HIS 85 -5.554 -7.655 -0.787 642 1HB HIS 85 HB2 HIS 85 -6.064 -4.772 -1.456 643 2HB HIS 85 HB3 HIS 85 -4.687 -5.669 -2.097 644 HD2 HIS 85 HD2 HIS 85 -8.137 -4.774 -3.005 645 HE1 HIS 85 HE1 HIS 85 -7.095 -8.004 -5.554 646 HE2 HIS 85 HE2 HIS 85 -8.798 -6.166 -5.128 647 H SER 86 H SER 86 -5.025 -7.783 1.507 648 HA SER 86 HA SER 86 -3.851 -5.995 3.163 649 1HB SER 86 HB2 SER 86 -2.556 -7.856 4.077 650 2HB SER 86 HB3 SER 86 -4.080 -8.517 3.499 651 HG SER 86 HG SER 86 -1.494 -8.667 2.400 652 H PHE 87 H PHE 87 -1.974 -4.791 3.377 653 HA PHE 87 HA PHE 87 0.003 -4.929 1.106 654 1HB PHE 87 HB2 PHE 87 -1.274 -2.788 1.542 655 2HB PHE 87 HB3 PHE 87 -0.490 -2.641 3.091 656 HD1 PHE 87 HD1 PHE 87 2.066 -2.369 3.139 657 HD2 PHE 87 HD2 PHE 87 -0.264 -2.054 -0.481 658 HE1 PHE 87 HE1 PHE 87 3.806 -0.909 2.120 659 HE2 PHE 87 HE2 PHE 87 1.490 -0.642 -1.490 660 HZ PHE 87 HZ PHE 87 3.520 -0.046 -0.184 661 H ASP 88 H ASP 88 1.778 -6.019 1.756 662 HA ASP 88 HA ASP 88 2.520 -5.994 4.645 663 1HB ASP 88 HB2 ASP 88 2.545 -8.324 2.703 664 2HB ASP 88 HB3 ASP 88 3.057 -8.342 4.401 665 HD2 ASP 88 HD ASP 88 -0.012 -9.072 5.537 666 H ILE 89 H ILE 89 4.267 -4.863 4.852 667 HA ILE 89 HA ILE 89 6.312 -4.760 2.763 668 HB ILE 89 HB ILE 89 6.274 -3.564 5.542 669 1HG1 ILE 89 HG12 ILE 89 5.538 -2.432 2.811 670 2HG1 ILE 89 HG13 ILE 89 4.466 -2.645 4.205 671 1HG2 ILE 89 HG23 ILE 89 8.572 -3.857 4.661 672 2HG2 ILE 89 HG21 ILE 89 8.102 -3.024 3.166 673 3HG2 ILE 89 HG22 ILE 89 8.133 -2.166 4.725 674 1HD1 ILE 89 HD12 ILE 89 5.934 -0.986 5.465 675 2HD1 ILE 89 HD13 ILE 89 6.706 -0.628 3.898 676 3HD1 ILE 89 HD11 ILE 89 4.984 -0.328 4.123 677 H THR 90 H THR 90 8.174 -5.883 2.743 678 HA THR 90 HA THR 90 9.306 -7.258 5.018 679 HB THR 90 HB THR 90 7.566 -8.787 4.568 680 HG1 THR 90 HG1 THR 90 8.803 -10.535 4.421 681 1HG2 THR 90 HG23 THR 90 8.413 -8.793 1.630 682 2HG2 THR 90 HG21 THR 90 7.267 -9.939 2.356 683 3HG2 THR 90 HG22 THR 90 6.870 -8.221 2.291 684 H LYS 91 H LYS 91 10.846 -9.035 3.373 685 HA LYS 91 HA LYS 91 12.251 -7.137 1.512 686 1HB LYS 91 HB2 LYS 91 13.587 -9.024 3.498 687 2HB LYS 91 HB3 LYS 91 14.409 -7.971 2.329 688 1HG LYS 91 HG2 LYS 91 13.330 -5.989 3.433 689 2HG LYS 91 HG3 LYS 91 12.720 -7.047 4.704 690 1HD LYS 91 HD2 LYS 91 15.633 -6.509 3.955 691 2HD LYS 91 HD3 LYS 91 14.786 -5.884 5.369 692 1HE LYS 91 HE2 LYS 91 15.495 -8.807 4.827 693 2HE LYS 91 HE3 LYS 91 16.218 -7.738 6.033 694 1HZ LYS 91 HZ1 LYS 91 14.080 -7.603 7.107 695 2HZ LYS 91 HZ2 LYS 91 13.425 -8.636 6.003 696 3HZ LYS 91 HZ3 LYS 91 14.609 -9.162 7.019 697 H LYS 92 H LYS 92 10.363 -9.689 1.374 698 HA LYS 92 HA LYS 92 11.928 -11.636 -0.067 699 1HB LYS 92 HB2 LYS 92 8.964 -11.048 -0.406 700 2HB LYS 92 HB3 LYS 92 9.815 -12.546 -0.778 701 1HG LYS 92 HG2 LYS 92 9.186 -11.355 1.954 702 2HG LYS 92 HG3 LYS 92 8.510 -12.804 1.243 703 1HD LYS 92 HD2 LYS 92 11.445 -12.475 2.041 704 2HD LYS 92 HD3 LYS 92 10.192 -13.174 3.060 705 1HE LYS 92 HE2 LYS 92 10.937 -14.318 0.330 706 2HE LYS 92 HE3 LYS 92 11.593 -14.870 1.878 707 1HZ LYS 92 HZ1 LYS 92 9.348 -15.342 2.594 708 2HZ LYS 92 HZ2 LYS 92 8.760 -14.963 1.099 709 3HZ LYS 92 HZ3 LYS 92 9.797 -16.226 1.277 710 H GLY 93 H GLY 93 12.843 -11.342 -2.065 711 1HA GLY 93 HA2 GLY 93 12.144 -8.974 -3.669 712 2HA GLY 93 HA3 GLY 93 13.470 -10.116 -3.940 713 HA PRO 94 HA PRO 94 9.874 -11.194 -6.811 714 1HB PRO 94 HB2 PRO 94 10.856 -10.216 -9.200 715 2HB PRO 94 HB3 PRO 94 9.907 -9.213 -8.070 716 1HG PRO 94 HG2 PRO 94 12.925 -9.402 -8.299 717 2HG PRO 94 HG3 PRO 94 11.925 -7.919 -8.288 718 1HD PRO 94 HD2 PRO 94 13.133 -8.837 -6.035 719 2HD PRO 94 HD3 PRO 94 11.486 -8.143 -5.963 720 HA PRO 95 HA PRO 95 9.434 -12.087 -9.126 721 1HB PRO 95 HB2 PRO 95 8.829 -14.541 -10.098 722 2HB PRO 95 HB3 PRO 95 10.048 -13.491 -10.879 723 1HG PRO 95 HG2 PRO 95 10.548 -15.759 -8.928 724 2HG PRO 95 HG3 PRO 95 11.338 -15.482 -10.507 725 1HD PRO 95 HD2 PRO 95 12.458 -14.667 -8.132 726 2HD PRO 95 HD3 PRO 95 12.651 -13.712 -9.627 727 H TYR 96 H TYR 96 7.418 -12.256 -8.133 728 HA TYR 96 HA TYR 96 7.327 -13.668 -5.566 729 1HB TYR 96 HB2 TYR 96 5.272 -11.965 -6.989 730 2HB TYR 96 HB3 TYR 96 5.097 -12.627 -5.368 731 HD1 TYR 96 HD1 TYR 96 6.753 -12.002 -3.568 732 HD2 TYR 96 HD2 TYR 96 6.626 -9.960 -7.364 733 HE1 TYR 96 HE1 TYR 96 8.337 -10.326 -2.714 734 HE2 TYR 96 HE2 TYR 96 8.340 -8.366 -6.539 735 HH TYR 96 HH TYR 96 9.700 -8.541 -3.259 736 H ALA 97 H ALA 97 5.700 -15.150 -5.022 737 HA ALA 97 HA ALA 97 5.212 -17.093 -7.219 738 1HB ALA 97 HB2 ALA 97 5.307 -17.432 -4.195 739 2HB ALA 97 HB3 ALA 97 5.026 -18.732 -5.375 740 3HB ALA 97 HB1 ALA 97 6.582 -17.878 -5.347 741 H VAL 98 H VAL 98 3.208 -18.046 -7.484 742 HA VAL 98 HA VAL 98 0.827 -16.564 -6.893 743 HB VAL 98 HB VAL 98 1.469 -19.334 -7.942 744 1HG1 VAL 98 HG11 VAL 98 -1.339 -18.224 -7.536 745 2HG1 VAL 98 HG12 VAL 98 -0.924 -19.626 -8.536 746 3HG1 VAL 98 HG13 VAL 98 -0.655 -19.683 -6.792 747 1HG2 VAL 98 HG21 VAL 98 1.863 -17.377 -9.412 748 2HG2 VAL 98 HG22 VAL 98 0.576 -18.419 -10.037 749 3HG2 VAL 98 HG23 VAL 98 0.165 -16.897 -9.222 750 H MET 99 H MET 99 2.573 -19.167 -5.244 751 HA MET 99 HA MET 99 0.491 -19.614 -3.255 752 1HB MET 99 HB2 MET 99 3.409 -20.450 -3.350 753 2HB MET 99 HB3 MET 99 2.218 -20.982 -2.151 754 1HG MET 99 HG2 MET 99 2.089 -21.505 -5.151 755 2HG MET 99 HG3 MET 99 2.547 -22.663 -3.902 756 1HE MET 99 HE1 MET 99 0.866 -24.389 -4.988 757 2HE MET 99 HE2 MET 99 -0.858 -24.040 -5.256 758 3HE MET 99 HE3 MET 99 0.379 -23.172 -6.196 759 HA PRO 100 HA PRO 100 1.823 -15.884 -1.055 760 1HB PRO 100 HB2 PRO 100 0.553 -17.279 1.314 761 2HB PRO 100 HB3 PRO 100 0.384 -15.582 0.777 762 1HG PRO 100 HG2 PRO 100 -1.541 -17.374 0.222 763 2HG PRO 100 HG3 PRO 100 -0.966 -16.291 -1.086 764 1HD PRO 100 HD2 PRO 100 -0.122 -19.162 -0.581 765 2HD PRO 100 HD3 PRO 100 -0.679 -18.358 -2.082 766 H VAL 101 H VAL 101 4.132 -17.165 -1.347 767 HA VAL 101 HA VAL 101 5.283 -17.948 1.248 768 HB VAL 101 HB VAL 101 6.721 -17.462 -1.386 769 1HG1 VAL 101 HG13 VAL 101 7.418 -19.148 1.073 770 2HG1 VAL 101 HG11 VAL 101 8.380 -19.026 -0.413 771 3HG1 VAL 101 HG12 VAL 101 8.201 -17.619 0.635 772 1HG2 VAL 101 HG22 VAL 101 5.442 -20.007 -0.287 773 2HG2 VAL 101 HG23 VAL 101 5.007 -19.171 -1.792 774 3HG2 VAL 101 HG21 VAL 101 6.577 -19.952 -1.651 775 H ILE 102 H ILE 102 4.189 -15.715 1.835 776 HA ILE 102 HA ILE 102 5.785 -13.356 1.189 777 HB ILE 102 HB ILE 102 4.278 -12.127 2.428 778 1HG1 ILE 102 HG12 ILE 102 3.942 -13.427 4.468 779 2HG1 ILE 102 HG13 ILE 102 2.494 -12.764 3.799 780 1HG2 ILE 102 HG22 ILE 102 3.554 -12.851 0.206 781 2HG2 ILE 102 HG23 ILE 102 2.651 -14.198 0.914 782 3HG2 ILE 102 HG21 ILE 102 2.178 -12.530 1.270 783 1HD1 ILE 102 HD11 ILE 102 1.857 -15.004 2.899 784 2HD1 ILE 102 HD12 ILE 102 3.319 -15.684 3.662 785 3HD1 ILE 102 HD13 ILE 102 2.058 -14.965 4.655 786 H ASP 103 H ASP 103 5.341 -15.456 3.909 787 HA ASP 103 HA ASP 103 6.316 -14.005 5.988 788 1HB ASP 103 HB2 ASP 103 6.643 -16.994 5.516 789 2HB ASP 103 HB3 ASP 103 6.919 -16.218 7.075 790 HD2 ASP 103 HD ASP 103 3.457 -17.517 6.778 791 HA PRO 104 HA PRO 104 7.557 -13.839 7.869 792 1HB PRO 104 HB2 PRO 104 9.364 -12.114 8.908 793 2HB PRO 104 HB3 PRO 104 9.616 -13.883 8.966 794 1HG PRO 104 HG2 PRO 104 10.731 -11.934 6.923 795 2HG PRO 104 HG3 PRO 104 11.638 -13.146 7.879 796 1HD PRO 104 HD2 PRO 104 10.784 -13.662 5.335 797 2HD PRO 104 HD3 PRO 104 10.759 -14.938 6.581 798 H ILE 105 H ILE 105 6.689 -11.657 8.537 799 HA ILE 105 HA ILE 105 6.784 -9.594 6.396 800 HB ILE 105 HB ILE 105 4.407 -10.639 7.967 801 1HG1 ILE 105 HG12 ILE 105 4.725 -11.769 5.868 802 2HG1 ILE 105 HG13 ILE 105 3.332 -10.695 5.735 803 1HG2 ILE 105 HG23 ILE 105 4.607 -7.944 6.565 804 2HG2 ILE 105 HG21 ILE 105 3.089 -8.756 6.988 805 3HG2 ILE 105 HG22 ILE 105 4.209 -8.279 8.260 806 1HD1 ILE 105 HD11 ILE 105 5.167 -9.002 4.692 807 2HD1 ILE 105 HD12 ILE 105 6.014 -10.533 4.396 808 3HD1 ILE 105 HD13 ILE 105 4.403 -10.274 3.721 809 H VAL 106 H VAL 106 6.940 -7.497 7.077 810 HA VAL 106 HA VAL 106 7.631 -7.143 9.962 811 HB VAL 106 HB VAL 106 8.328 -5.457 7.516 812 1HG1 VAL 106 HG12 VAL 106 9.149 -5.181 10.447 813 2HG1 VAL 106 HG13 VAL 106 9.780 -4.221 9.094 814 3HG1 VAL 106 HG11 VAL 106 8.086 -4.062 9.568 815 1HG2 VAL 106 HG23 VAL 106 9.990 -7.316 9.269 816 2HG2 VAL 106 HG21 VAL 106 9.593 -7.557 7.556 817 3HG2 VAL 106 HG22 VAL 106 10.643 -6.221 8.038 818 H ALA 107 H ALA 107 6.363 -4.863 7.517 819 HA ALA 107 HA ALA 107 4.154 -4.195 9.454 820 1HB ALA 107 HB2 ALA 107 5.602 -2.275 8.808 821 2HB ALA 107 HB3 ALA 107 5.149 -2.523 7.112 822 3HB ALA 107 HB1 ALA 107 3.913 -2.098 8.300 823 H GLY 108 H GLY 108 2.954 -5.931 9.105 824 1HA GLY 108 HA2 GLY 108 1.641 -6.333 6.463 825 2HA GLY 108 HA3 GLY 108 1.450 -7.301 7.927 826 H THR 109 H THR 109 -0.212 -5.039 6.033 827 HA THR 109 HA THR 109 -1.490 -3.666 8.293 828 HB THR 109 HB THR 109 -3.271 -3.229 6.452 829 HG1 THR 109 HG1 THR 109 -1.042 -3.947 4.851 830 1HG2 THR 109 HG21 THR 109 -0.411 -2.205 6.270 831 2HG2 THR 109 HG22 THR 109 -1.842 -1.426 5.545 832 3HG2 THR 109 HG23 THR 109 -1.704 -1.576 7.314 833 H GLY 110 H GLY 110 -2.255 -6.481 6.249 834 1HA GLY 110 HA2 GLY 110 -3.398 -8.433 7.162 835 2HA GLY 110 HA3 GLY 110 -4.239 -7.359 8.297 836 H PHE 111 H PHE 111 -6.214 -8.512 7.149 837 HA PHE 111 HA PHE 111 -6.767 -7.489 4.408 838 1HB PHE 111 HB2 PHE 111 -8.611 -9.256 5.972 839 2HB PHE 111 HB3 PHE 111 -8.478 -9.050 4.248 840 HD1 PHE 111 HD1 PHE 111 -6.226 -9.801 3.104 841 HD2 PHE 111 HD2 PHE 111 -7.490 -11.140 6.999 842 HE1 PHE 111 HE1 PHE 111 -4.763 -11.772 2.888 843 HE2 PHE 111 HE2 PHE 111 -6.051 -13.145 6.760 844 HZ PHE 111 HZ PHE 111 -4.697 -13.475 4.687 845 H SER 112 H SER 112 -8.419 -5.949 3.992 846 HA SER 112 HA SER 112 -9.020 -4.244 6.234 847 1HB SER 112 HB2 SER 112 -9.898 -2.814 4.271 848 2HB SER 112 HB3 SER 112 -8.209 -3.321 4.142 849 HG SER 112 HG SER 112 -9.681 -3.678 2.263 850 HA PRO 113 HA PRO 113 -13.397 -5.242 6.573 851 1HB PRO 113 HB2 PRO 113 -14.459 -2.903 7.462 852 2HB PRO 113 HB3 PRO 113 -13.333 -3.864 8.459 853 1HG PRO 113 HG2 PRO 113 -12.649 -1.478 6.712 854 2HG PRO 113 HG3 PRO 113 -12.229 -1.728 8.430 855 1HD PRO 113 HD2 PRO 113 -10.493 -2.325 6.428 856 2HD PRO 113 HD3 PRO 113 -10.604 -3.370 7.872 857 H VAL 114 H VAL 114 -13.106 -5.481 4.151 858 HA VAL 114 HA VAL 114 -13.428 -3.496 2.317 859 HB VAL 114 HB VAL 114 -14.211 -5.202 0.716 860 1HG1 VAL 114 HG13 VAL 114 -11.787 -4.887 1.371 861 2HG1 VAL 114 HG11 VAL 114 -11.967 -6.256 2.483 862 3HG1 VAL 114 HG12 VAL 114 -12.194 -6.490 0.743 863 1HG2 VAL 114 HG23 VAL 114 -14.319 -7.037 3.159 864 2HG2 VAL 114 HG21 VAL 114 -15.658 -6.632 2.061 865 3HG2 VAL 114 HG22 VAL 114 -14.290 -7.589 1.483 866 HA PRO 115 HA PRO 115 -17.694 -2.205 2.967 867 1HB PRO 115 HB2 PRO 115 -17.876 -0.202 1.149 868 2HB PRO 115 HB3 PRO 115 -16.731 -0.093 2.517 869 1HG PRO 115 HG2 PRO 115 -16.129 -1.030 -0.307 870 2HG PRO 115 HG3 PRO 115 -15.274 0.236 0.616 871 1HD PRO 115 HD2 PRO 115 -14.410 -2.362 0.532 872 2HD PRO 115 HD3 PRO 115 -14.234 -1.367 2.017 873 H LYS 116 H LYS 116 -19.714 -1.879 1.503 874 HA LYS 116 HA LYS 116 -19.653 -3.709 -0.842 875 1HB LYS 116 HB2 LYS 116 -21.889 -3.195 1.137 876 2HB LYS 116 HB3 LYS 116 -22.066 -4.203 -0.299 877 1HG LYS 116 HG2 LYS 116 -19.868 -4.915 1.673 878 2HG LYS 116 HG3 LYS 116 -21.542 -5.199 2.119 879 1HD LYS 116 HD2 LYS 116 -20.653 -7.215 1.185 880 2HD LYS 116 HD3 LYS 116 -21.929 -6.585 0.147 881 1HE LYS 116 HE2 LYS 116 -20.064 -7.495 -1.153 882 2HE LYS 116 HE3 LYS 116 -20.237 -5.772 -1.474 883 1HZ LYS 116 HZ3 LYS 116 -18.314 -6.957 0.420 884 2HZ LYS 116 HZ2 LYS 116 -17.958 -6.534 -1.130 885 3HZ LYS 116 HZ1 LYS 116 -18.375 -5.371 -0.036 886 H ASP 117 H ASP 117 -20.571 -0.701 0.261 887 HA ASP 117 HA ASP 117 -20.601 0.510 -2.274 888 1HB ASP 117 HB2 ASP 117 -22.819 -0.590 -2.604 889 2HB ASP 117 HB3 ASP 117 -23.393 0.109 -1.082 890 HD1 ASP 117 HD ASP 117 -22.684 2.814 -3.968 891 H GLY 118 H GLY 118 -21.001 2.811 -2.091 892 1HA GLY 118 HA2 GLY 118 -20.968 4.861 -1.110 893 2HA GLY 118 HA3 GLY 118 -21.724 4.172 0.325 894 H LYS 119 H LYS 119 -19.956 2.544 1.456 895 HA LYS 119 HA LYS 119 -18.106 4.470 2.527 896 1HB LYS 119 HB2 LYS 119 -18.554 1.544 3.247 897 2HB LYS 119 HB3 LYS 119 -17.562 2.704 4.155 898 1HG LYS 119 HG2 LYS 119 -19.562 4.128 4.527 899 2HG LYS 119 HG3 LYS 119 -20.569 2.926 3.688 900 1HD LYS 119 HD2 LYS 119 -19.906 1.204 5.351 901 2HD LYS 119 HD3 LYS 119 -18.887 2.394 6.186 902 1HE LYS 119 HE2 LYS 119 -20.893 3.791 6.649 903 2HE LYS 119 HE3 LYS 119 -21.915 2.597 5.824 904 1HZ LYS 119 HZ3 LYS 119 -20.292 2.097 8.220 905 2HZ LYS 119 HZ1 LYS 119 -21.926 2.306 8.184 906 3HZ LYS 119 HZ2 LYS 119 -21.248 0.991 7.458 907 H PHE 120 H PHE 120 -15.892 4.018 2.943 908 HA PHE 120 HA PHE 120 -14.386 2.491 0.852 909 1HB PHE 120 HB2 PHE 120 -14.444 5.399 1.579 910 2HB PHE 120 HB3 PHE 120 -12.881 4.748 1.172 911 HD1 PHE 120 HD2 PHE 120 -16.426 4.964 -0.151 912 HD2 PHE 120 HD1 PHE 120 -12.296 4.326 -1.136 913 HE1 PHE 120 HE2 PHE 120 -17.041 4.694 -2.513 914 HE2 PHE 120 HE1 PHE 120 -12.906 4.051 -3.515 915 HZ PHE 120 HZ PHE 120 -15.276 4.239 -4.217 916 H GLY 121 H GLY 121 -13.800 0.913 2.335 917 1HA GLY 121 HA2 GLY 121 -12.768 1.183 4.919 918 2HA GLY 121 HA3 GLY 121 -12.330 -0.079 3.763 919 H TYR 122 H TYR 122 -11.106 2.416 5.591 920 HA TYR 122 HA TYR 122 -8.667 2.606 3.937 921 1HB TYR 122 HB2 TYR 122 -8.306 4.875 4.446 922 2HB TYR 122 HB3 TYR 122 -9.953 4.767 3.889 923 HD1 TYR 122 HD2 TYR 122 -11.765 5.071 5.581 924 HD2 TYR 122 HD1 TYR 122 -7.638 5.820 6.458 925 HE1 TYR 122 HE2 TYR 122 -12.437 6.645 7.419 926 HE2 TYR 122 HE1 TYR 122 -8.298 7.525 8.115 927 HH TYR 122 HH TYR 122 -10.032 8.591 9.176 928 H THR 123 H THR 123 -6.816 3.461 5.500 929 HA THR 123 HA THR 123 -6.971 2.351 8.176 930 HB THR 123 HB THR 123 -4.866 1.295 6.266 931 HG1 THR 123 HG1 THR 123 -7.518 0.405 6.517 932 1HG2 THR 123 HG22 THR 123 -4.567 0.916 8.630 933 2HG2 THR 123 HG23 THR 123 -6.083 -0.019 8.676 934 3HG2 THR 123 HG21 THR 123 -4.716 -0.593 7.705 935 H ASP 124 H ASP 124 -5.002 3.097 9.314 936 HA ASP 124 HA ASP 124 -3.181 4.909 7.740 937 1HB ASP 124 HB2 ASP 124 -4.460 5.565 10.429 938 2HB ASP 124 HB3 ASP 124 -3.137 6.457 9.673 939 HD1 ASP 124 HD ASP 124 -5.282 7.787 7.173 940 H PHE 125 H PHE 125 -1.577 3.277 7.738 941 HA PHE 125 HA PHE 125 -0.757 2.316 10.454 942 1HB PHE 125 HB2 PHE 125 0.138 0.442 9.605 943 2HB PHE 125 HB3 PHE 125 -1.316 0.654 8.652 944 HD1 PHE 125 HD1 PHE 125 2.399 0.736 8.631 945 HD2 PHE 125 HD2 PHE 125 -1.181 0.942 6.223 946 HE1 PHE 125 HE1 PHE 125 3.692 0.047 6.647 947 HE2 PHE 125 HE2 PHE 125 0.095 0.072 4.281 948 HZ PHE 125 HZ PHE 125 2.540 -0.361 4.491 949 H THR 126 H THR 126 1.784 2.123 10.598 950 HA THR 126 HA THR 126 3.132 4.299 9.211 951 HB THR 126 HB THR 126 2.805 4.331 12.245 952 HG1 THR 126 HG1 THR 126 1.361 5.501 10.174 953 1HG2 THR 126 HG21 THR 126 4.061 6.300 10.286 954 2HG2 THR 126 HG22 THR 126 3.758 6.632 12.002 955 3HG2 THR 126 HG23 THR 126 4.914 5.371 11.542 956 H TRP 127 H TRP 127 5.393 4.063 9.256 957 HA TRP 127 HA TRP 127 6.567 1.887 10.852 958 1HB TRP 127 HB2 TRP 127 5.695 0.750 8.881 959 2HB TRP 127 HB3 TRP 127 6.307 1.997 7.809 960 HD1 TRP 127 HD1 TRP 127 8.147 -0.070 10.455 961 HE1 TRP 127 HE1 TRP 127 10.180 -1.220 9.399 962 HE3 TRP 127 HE3 TRP 127 7.456 1.394 5.623 963 HZ2 TRP 127 HZ2 TRP 127 11.323 -1.477 6.763 964 HZ3 TRP 127 HZ3 TRP 127 9.125 0.762 3.877 965 HH2 TRP 127 HH2 TRP 127 10.951 -0.731 4.378 966 H HIS 128 H HIS 128 8.879 1.911 10.862 967 HA HIS 128 HA HIS 128 10.170 4.437 9.961 968 1HB HIS 128 HB2 HIS 128 10.619 2.818 12.465 969 2HB HIS 128 HB3 HIS 128 11.792 3.966 11.815 970 HD1 HIS 128 HD1 HIS 128 11.072 6.592 11.759 971 HD2 HIS 128 HD2 HIS 128 8.457 3.890 13.694 972 HE1 HIS 128 HE1 HIS 128 9.488 8.000 13.203 973 HE2 HIS 128 HE2 HIS 128 7.886 6.361 14.345 974 HA PRO 129 HA PRO 129 12.094 1.037 7.659 975 1HB PRO 129 HB2 PRO 129 12.919 2.381 5.497 976 2HB PRO 129 HB3 PRO 129 11.185 2.288 5.896 977 1HG PRO 129 HG2 PRO 129 13.081 4.568 6.544 978 2HG PRO 129 HG3 PRO 129 11.491 4.677 5.766 979 1HD PRO 129 HD2 PRO 129 11.872 5.004 8.457 980 2HD PRO 129 HD3 PRO 129 10.357 4.324 7.761 981 H THR 130 H THR 130 14.200 0.146 7.588 982 HA THR 130 HA THR 130 16.490 1.750 8.593 983 HB THR 130 HB THR 130 17.555 -0.522 8.680 984 HG1 THR 130 HG1 THR 130 16.262 -1.450 7.043 985 1HG2 THR 130 HG23 THR 130 16.384 0.403 10.660 986 2HG2 THR 130 HG21 THR 130 14.869 -0.362 10.130 987 3HG2 THR 130 HG22 THR 130 16.263 -1.367 10.580 988 H ALA 131 H ALA 131 18.389 1.950 7.290 989 HA ALA 131 HA ALA 131 17.957 2.241 4.539 990 1HB ALA 131 HB1 ALA 131 19.738 3.416 5.765 991 2HB ALA 131 HB2 ALA 131 20.643 1.889 5.899 992 3HB ALA 131 HB3 ALA 131 20.336 2.618 4.303 993 H GLY 132 H GLY 132 18.649 1.116 2.716 994 1HA GLY 132 HA2 GLY 132 19.763 -0.799 1.691 995 2HA GLY 132 HA3 GLY 132 19.044 -1.844 2.952 996 H THR 133 H THR 133 17.145 -2.854 2.174 997 HA THR 133 HA THR 133 15.323 -1.360 0.474 998 HB THR 133 HB THR 133 16.763 -3.831 -0.594 999 HG1 THR 133 HG1 THR 133 17.212 -1.121 -0.844 1000 1HG2 THR 133 HG21 THR 133 14.659 -2.038 -1.890 1001 2HG2 THR 133 HG22 THR 133 15.615 -3.271 -2.732 1002 3HG2 THR 133 HG23 THR 133 14.477 -3.758 -1.472 1003 H TYR 134 H TYR 134 13.324 -2.241 0.360 1004 HA TYR 134 HA TYR 134 12.677 -4.805 1.667 1005 1HB TYR 134 HB2 TYR 134 11.481 -2.064 2.243 1006 2HB TYR 134 HB3 TYR 134 10.605 -3.537 2.578 1007 HD1 TYR 134 HD2 TYR 134 13.542 -1.475 3.475 1008 HD2 TYR 134 HD1 TYR 134 10.966 -4.731 4.610 1009 HE1 TYR 134 HE2 TYR 134 14.197 -1.229 5.813 1010 HE2 TYR 134 HE1 TYR 134 11.889 -4.666 6.885 1011 HH TYR 134 HH TYR 134 14.387 -2.392 7.932 1012 H TYR 135 H TYR 135 10.194 -5.136 1.083 1013 HA TYR 135 HA TYR 135 9.480 -4.052 -1.519 1014 1HB TYR 135 HB2 TYR 135 9.672 -7.029 -0.950 1015 2HB TYR 135 HB3 TYR 135 8.923 -6.320 -2.375 1016 HD1 TYR 135 HD2 TYR 135 12.142 -6.971 -0.667 1017 HD2 TYR 135 HD1 TYR 135 10.253 -5.553 -4.257 1018 HE1 TYR 135 HE2 TYR 135 14.317 -7.069 -1.826 1019 HE2 TYR 135 HE1 TYR 135 12.431 -5.711 -5.448 1020 HH TYR 135 HH TYR 135 15.428 -6.756 -3.826 1021 H TYR 136 H TYR 136 7.145 -4.307 -1.865 1022 HA TYR 136 HA TYR 136 5.640 -5.107 0.596 1023 1HB TYR 136 HB2 TYR 136 3.944 -3.511 0.081 1024 2HB TYR 136 HB3 TYR 136 5.492 -2.721 0.328 1025 HD1 TYR 136 HD1 TYR 136 6.668 -1.615 -1.540 1026 HD2 TYR 136 HD2 TYR 136 2.823 -3.474 -2.107 1027 HE1 TYR 136 HE1 TYR 136 6.315 -0.268 -3.587 1028 HE2 TYR 136 HE2 TYR 136 2.485 -2.099 -4.170 1029 HH TYR 136 HH TYR 136 4.958 0.082 -5.419 1030 H VAL 137 H VAL 137 3.952 -6.508 0.350 1031 HA VAL 137 HA VAL 137 3.066 -7.284 -2.378 1032 HB VAL 137 HB VAL 137 3.338 -9.664 -1.795 1033 1HG1 VAL 137 HG11 VAL 137 5.103 -8.544 -3.116 1034 2HG1 VAL 137 HG12 VAL 137 6.009 -8.216 -1.617 1035 3HG1 VAL 137 HG13 VAL 137 5.707 -9.882 -2.123 1036 1HG2 VAL 137 HG22 VAL 137 3.335 -9.540 0.674 1037 2HG2 VAL 137 HG23 VAL 137 4.760 -10.388 0.070 1038 3HG2 VAL 137 HG21 VAL 137 4.911 -8.720 0.639 1039 H CYS 138 H CYS 138 1.161 -8.614 -2.338 1040 HA CYS 138 HA CYS 138 -0.597 -8.341 0.028 1041 1HB CYS 138 HB2 CYS 138 -1.526 -7.168 -1.885 1042 2HB CYS 138 HB3 CYS 138 -1.123 -8.486 -2.967 1043 H GLN 139 H GLN 139 -1.547 -10.079 0.959 1044 HA GLN 139 HA GLN 139 -0.056 -12.537 0.540 1045 1HB GLN 139 HB2 GLN 139 -2.250 -11.784 2.492 1046 2HB GLN 139 HB3 GLN 139 -1.304 -13.275 2.570 1047 1HG GLN 139 HG2 GLN 139 0.744 -11.989 2.850 1048 2HG GLN 139 HG3 GLN 139 -0.131 -10.476 2.705 1049 1HE2 GLN 139 HE22 GLN 139 -0.348 -12.634 6.212 1050 2HE2 GLN 139 HE21 GLN 139 0.266 -13.387 4.752 1051 H ILE 140 H ILE 140 -3.172 -11.538 -0.642 1052 HA ILE 140 HA ILE 140 -4.506 -14.019 -0.320 1053 HB ILE 140 HB ILE 140 -4.947 -11.828 -2.360 1054 1HG1 ILE 140 HG12 ILE 140 -6.341 -12.436 0.291 1055 2HG1 ILE 140 HG13 ILE 140 -5.131 -11.170 0.068 1056 1HG2 ILE 140 HG21 ILE 140 -5.979 -13.974 -3.108 1057 2HG2 ILE 140 HG22 ILE 140 -6.783 -14.123 -1.530 1058 3HG2 ILE 140 HG23 ILE 140 -7.205 -12.813 -2.639 1059 1HD1 ILE 140 HD11 ILE 140 -6.590 -10.058 -1.607 1060 2HD1 ILE 140 HD12 ILE 140 -7.873 -11.235 -1.220 1061 3HD1 ILE 140 HD13 ILE 140 -7.264 -10.147 0.029 1062 HA PRO 141 HA PRO 141 -2.146 -16.651 -3.101 1063 1HB PRO 141 HB2 PRO 141 -4.933 -17.708 -3.673 1064 2HB PRO 141 HB3 PRO 141 -3.410 -18.638 -3.525 1065 1HG PRO 141 HG2 PRO 141 -5.074 -18.458 -1.394 1066 2HG PRO 141 HG3 PRO 141 -3.319 -18.219 -1.160 1067 1HD PRO 141 HD2 PRO 141 -5.491 -16.135 -1.312 1068 2HD PRO 141 HD3 PRO 141 -4.036 -16.196 -0.269 1069 H GLY 142 H GLY 142 -1.437 -16.437 -5.165 1070 1HA GLY 142 HA2 GLY 142 -1.514 -15.976 -7.462 1071 2HA GLY 142 HA3 GLY 142 -3.171 -15.386 -7.326 1072 H HIS 143 H HIS 143 -2.401 -13.627 -4.931 1073 HA HIS 143 HA HIS 143 -1.706 -11.334 -6.606 1074 1HB HIS 143 HB2 HIS 143 -2.262 -11.398 -3.642 1075 2HB HIS 143 HB3 HIS 143 -2.139 -10.009 -4.704 1076 HD2 HIS 143 HD2 HIS 143 -4.316 -12.985 -6.034 1077 HE1 HIS 143 HE1 HIS 143 -7.021 -10.078 -4.638 1078 HE2 HIS 143 HE2 HIS 143 -6.762 -12.271 -5.881 1079 H ALA 144 H ALA 144 -0.002 -9.758 -5.535 1080 HA ALA 144 HA ALA 144 2.186 -9.345 -5.105 1081 1HB ALA 144 HB3 ALA 144 2.112 -11.039 -3.222 1082 2HB ALA 144 HB1 ALA 144 2.755 -12.242 -4.357 1083 3HB ALA 144 HB2 ALA 144 3.684 -10.789 -4.008 1084 H ALA 145 H ALA 145 1.872 -12.660 -6.484 1085 HA ALA 145 HA ALA 145 3.737 -12.281 -8.640 1086 1HB ALA 145 HB1 ALA 145 1.354 -14.180 -8.413 1087 2HB ALA 145 HB2 ALA 145 2.652 -14.270 -9.616 1088 3HB ALA 145 HB3 ALA 145 3.017 -14.509 -7.903 1089 H THR 146 H THR 146 0.098 -12.065 -8.562 1090 HA THR 146 HA THR 146 0.125 -10.924 -11.236 1091 HB THR 146 HB THR 146 -2.321 -10.596 -10.866 1092 HG1 THR 146 HG1 THR 146 -1.907 -12.201 -8.587 1093 1HG2 THR 146 HG23 THR 146 -1.159 -13.388 -10.444 1094 2HG2 THR 146 HG21 THR 146 -2.804 -13.015 -10.998 1095 3HG2 THR 146 HG22 THR 146 -1.411 -12.575 -12.002 1096 H GLY 147 H GLY 147 1.685 -9.255 -10.697 1097 1HA GLY 147 HA2 GLY 147 2.022 -7.022 -11.040 1098 2HA GLY 147 HA3 GLY 147 0.280 -6.777 -11.017 1099 H MET 148 H MET 148 -0.347 -7.370 -8.286 1100 HA MET 148 HA MET 148 0.538 -4.807 -7.310 1101 1HB MET 148 HB2 MET 148 -0.826 -5.175 -5.377 1102 2HB MET 148 HB3 MET 148 -1.622 -5.152 -6.926 1103 1HG MET 148 HG3 MET 148 -2.191 -7.471 -6.730 1104 2HG MET 148 HG2 MET 148 -0.987 -7.744 -5.468 1105 1HE MET 148 HE2 MET 148 -2.992 -4.407 -5.255 1106 2HE MET 148 HE1 MET 148 -4.239 -5.386 -6.081 1107 3HE MET 148 HE3 MET 148 -4.450 -4.885 -4.393 1108 H PHE 149 H PHE 149 2.724 -4.898 -7.115 1109 HA PHE 149 HA PHE 149 3.531 -5.310 -4.375 1110 1HB PHE 149 HB2 PHE 149 5.412 -6.755 -4.830 1111 2HB PHE 149 HB3 PHE 149 3.977 -7.538 -5.464 1112 HD1 PHE 149 HD1 PHE 149 3.567 -7.501 -7.987 1113 HD2 PHE 149 HD2 PHE 149 7.229 -6.005 -6.286 1114 HE1 PHE 149 HE1 PHE 149 4.677 -7.730 -10.184 1115 HE2 PHE 149 HE2 PHE 149 8.316 -6.157 -8.504 1116 HZ PHE 149 HZ PHE 149 7.055 -7.045 -10.455 1117 H GLY 150 H GLY 150 6.057 -4.574 -4.325 1118 1HA GLY 150 HA2 GLY 150 7.211 -3.158 -6.480 1119 2HA GLY 150 HA3 GLY 150 6.354 -1.979 -5.500 1120 H LYS 151 H LYS 151 8.973 -1.677 -5.635 1121 HA LYS 151 HA LYS 151 10.332 -3.119 -3.423 1122 1HB LYS 151 HB2 LYS 151 11.887 -1.417 -5.325 1123 2HB LYS 151 HB3 LYS 151 12.294 -2.908 -4.503 1124 1HG LYS 151 HG2 LYS 151 12.178 -3.696 -6.639 1125 2HG LYS 151 HG3 LYS 151 10.486 -3.953 -6.200 1126 1HD LYS 151 HD2 LYS 151 10.086 -1.568 -7.231 1127 2HD LYS 151 HD3 LYS 151 11.756 -1.657 -7.783 1128 1HE LYS 151 HE2 LYS 151 11.193 -3.741 -9.058 1129 2HE LYS 151 HE3 LYS 151 9.510 -3.593 -8.505 1130 1HZ LYS 151 HZ1 LYS 151 9.448 -1.434 -9.571 1131 2HZ LYS 151 HZ2 LYS 151 10.969 -1.650 -10.149 1132 3HZ LYS 151 HZ3 LYS 151 9.755 -2.645 -10.650 1133 H ILE 152 H ILE 152 11.161 -1.923 -1.722 1134 HA ILE 152 HA ILE 152 10.752 1.040 -1.719 1135 HB ILE 152 HB ILE 152 10.786 -0.827 0.668 1136 1HG1 ILE 152 HG12 ILE 152 8.393 0.271 -0.818 1137 2HG1 ILE 152 HG13 ILE 152 8.827 -1.424 -0.481 1138 1HG2 ILE 152 HG22 ILE 152 11.514 1.593 0.955 1139 2HG2 ILE 152 HG23 ILE 152 9.890 2.061 0.411 1140 3HG2 ILE 152 HG21 ILE 152 10.122 1.130 1.916 1141 1HD1 ILE 152 HD11 ILE 152 8.561 -0.969 1.962 1142 2HD1 ILE 152 HD12 ILE 152 7.898 0.633 1.544 1143 3HD1 ILE 152 HD13 ILE 152 7.066 -0.834 1.013 1144 H VAL 153 H VAL 153 12.821 1.729 -2.318 1145 HA VAL 153 HA VAL 153 15.195 0.405 -1.114 1146 HB VAL 153 HB VAL 153 15.058 2.894 -2.794 1147 1HG1 VAL 153 HG13 VAL 153 17.310 0.916 -2.084 1148 2HG1 VAL 153 HG11 VAL 153 17.484 2.235 -3.260 1149 3HG1 VAL 153 HG12 VAL 153 17.169 2.596 -1.560 1150 1HG2 VAL 153 HG22 VAL 153 15.445 -0.002 -3.716 1151 2HG2 VAL 153 HG23 VAL 153 14.103 1.074 -4.166 1152 3HG2 VAL 153 HG21 VAL 153 15.737 1.423 -4.737 1153 H VAL 154 H VAL 154 16.255 1.336 0.649 1154 HA VAL 154 HA VAL 154 15.103 3.867 1.751 1155 HB VAL 154 HB VAL 154 16.091 1.469 3.304 1156 1HG1 VAL 154 HG12 VAL 154 16.253 3.764 4.369 1157 2HG1 VAL 154 HG13 VAL 154 14.515 3.956 4.123 1158 3HG1 VAL 154 HG11 VAL 154 15.122 2.703 5.210 1159 1HG2 VAL 154 HG21 VAL 154 13.222 2.326 2.744 1160 2HG2 VAL 154 HG22 VAL 154 13.999 0.838 2.155 1161 3HG2 VAL 154 HG23 VAL 154 13.737 1.053 3.878 1162 H LYS 155 H LYS 155 16.700 5.423 1.597 1163 HA LYS 155 HA LYS 155 19.398 4.758 2.607 1164 1HB LYS 155 HB2 LYS 155 19.024 6.159 -0.074 1165 2HB LYS 155 HB3 LYS 155 20.559 5.854 0.758 1166 1HG LYS 155 HG2 LYS 155 18.748 3.658 -0.308 1167 2HG LYS 155 HG3 LYS 155 20.066 4.387 -1.217 1168 1HD LYS 155 HD2 LYS 155 21.739 3.582 0.313 1169 2HD LYS 155 HD3 LYS 155 20.529 3.097 1.505 1170 1HE LYS 155 HE2 LYS 155 21.365 1.135 0.314 1171 2HE LYS 155 HE3 LYS 155 19.637 1.376 0.009 1172 1HZ LYS 155 HZ1 LYS 155 21.816 2.168 -1.801 1173 2HZ LYS 155 HZ2 LYS 155 20.849 0.844 -1.977 1174 3HZ LYS 155 HZ3 LYS 155 20.203 2.354 -2.091 No H/Q in entry = 1174 Start of MODEL 15 1 H GLY 1 H GLY 1 6.035 -9.072 11.351 2 1HA GLY 1 HA2 GLY 1 4.499 -10.802 11.293 3 2HA GLY 1 HA3 GLY 1 4.932 -10.996 13.003 4 H THR 2 H THR 2 3.872 -8.500 13.978 5 HA THR 2 HA THR 2 1.012 -9.155 14.142 6 HB THR 2 HB THR 2 1.026 -7.112 15.612 7 HG1 THR 2 HG1 THR 2 2.854 -6.179 14.568 8 1HG2 THR 2 HG22 THR 2 1.374 -9.378 16.582 9 2HG2 THR 2 HG23 THR 2 3.124 -9.232 16.305 10 3HG2 THR 2 HG21 THR 2 2.314 -8.146 17.449 11 H LEU 3 H LEU 3 0.496 -8.875 11.852 12 HA LEU 3 HA LEU 3 0.833 -6.427 10.459 13 1HB LEU 3 HB2 LEU 3 -1.380 -8.472 10.310 14 2HB LEU 3 HB3 LEU 3 -1.390 -7.051 9.301 15 HG LEU 3 HG LEU 3 0.764 -7.613 8.279 16 1HD1 LEU 3 HD12 LEU 3 0.600 -10.067 10.044 17 2HD1 LEU 3 HD13 LEU 3 1.658 -9.956 8.622 18 3HD1 LEU 3 HD11 LEU 3 1.916 -8.846 9.971 19 1HD2 LEU 3 HD22 LEU 3 -1.364 -8.527 7.290 20 2HD2 LEU 3 HD23 LEU 3 -0.004 -9.625 7.019 21 3HD2 LEU 3 HD21 LEU 3 -1.197 -9.979 8.283 22 H ASP 4 H ASP 4 -0.498 -4.708 10.166 23 HA ASP 4 HA ASP 4 -1.479 -3.647 12.663 24 1HB ASP 4 HB2 ASP 4 -0.116 -2.276 11.153 25 2HB ASP 4 HB3 ASP 4 -1.367 -2.408 9.897 26 HD1 ASP 4 HD ASP 4 -2.052 -0.036 13.056 27 H THR 5 H THR 5 -3.536 -3.104 13.255 28 HA THR 5 HA THR 5 -5.830 -4.081 11.646 29 HB THR 5 HB THR 5 -6.735 -4.374 14.002 30 HG1 THR 5 HG1 THR 5 -5.120 -4.231 15.646 31 1HG2 THR 5 HG23 THR 5 -5.614 -6.272 12.768 32 2HG2 THR 5 HG21 THR 5 -4.073 -5.820 13.527 33 3HG2 THR 5 HG22 THR 5 -5.426 -6.368 14.528 34 H THR 6 H THR 6 -4.422 -1.189 12.016 35 HA THR 6 HA THR 6 -6.381 0.309 13.500 36 HB THR 6 HB THR 6 -4.063 1.351 11.784 37 HG1 THR 6 HG1 THR 6 -4.125 0.306 14.420 38 1HG2 THR 6 HG21 THR 6 -5.430 2.369 14.316 39 2HG2 THR 6 HG22 THR 6 -4.068 3.135 13.451 40 3HG2 THR 6 HG23 THR 6 -5.670 3.030 12.689 41 H TRP 7 H TRP 7 -8.137 -0.575 11.973 42 HA TRP 7 HA TRP 7 -8.500 1.096 9.568 43 1HB TRP 7 HB2 TRP 7 -9.642 -1.504 10.482 44 2HB TRP 7 HB3 TRP 7 -10.660 -0.460 9.504 45 HD1 TRP 7 HD1 TRP 7 -9.769 0.292 7.153 46 HE1 TRP 7 HE1 TRP 7 -8.301 -0.877 5.388 47 HE3 TRP 7 HE3 TRP 7 -7.431 -2.928 10.214 48 HZ2 TRP 7 HZ2 TRP 7 -6.270 -3.080 5.405 49 HZ3 TRP 7 HZ3 TRP 7 -5.763 -4.552 9.360 50 HH2 TRP 7 HH2 TRP 7 -5.333 -4.730 6.933 51 H LYS 8 H LYS 8 -10.097 2.294 9.055 52 HA LYS 8 HA LYS 8 -12.410 2.843 10.717 53 1HB LYS 8 HB2 LYS 8 -10.373 4.988 9.911 54 2HB LYS 8 HB3 LYS 8 -12.015 5.327 10.490 55 1HG LYS 8 HG2 LYS 8 -11.428 4.161 12.645 56 2HG LYS 8 HG3 LYS 8 -9.765 3.994 12.046 57 1HD LYS 8 HD2 LYS 8 -9.549 6.445 11.850 58 2HD LYS 8 HD3 LYS 8 -11.229 6.653 12.364 59 1HE LYS 8 HE2 LYS 8 -9.717 7.082 14.242 60 2HE LYS 8 HE3 LYS 8 -10.712 5.655 14.570 61 1HZ LYS 8 HZ1 LYS 8 -7.937 5.615 13.598 62 2HZ LYS 8 HZ2 LYS 8 -8.419 5.328 15.148 63 3HZ LYS 8 HZ3 LYS 8 -8.856 4.291 13.947 64 H GLU 9 H GLU 9 -13.831 4.388 9.115 65 HA GLU 9 HA GLU 9 -13.012 3.832 6.316 66 1HB GLU 9 HB2 GLU 9 -15.920 3.699 7.040 67 2HB GLU 9 HB3 GLU 9 -15.068 3.231 5.562 68 1HG GLU 9 HG2 GLU 9 -13.841 1.507 7.260 69 2HG GLU 9 HG3 GLU 9 -15.294 1.778 8.214 70 HE1 GLU 9 HE GLU 9 -15.030 -0.599 5.123 71 H ALA 10 H ALA 10 -12.925 5.544 5.110 72 HA ALA 10 HA ALA 10 -14.044 8.145 6.029 73 1HB ALA 10 HB3 ALA 10 -11.635 7.917 5.244 74 2HB ALA 10 HB1 ALA 10 -12.254 7.497 3.634 75 3HB ALA 10 HB2 ALA 10 -12.579 9.091 4.348 76 H THR 11 H THR 11 -14.357 8.951 3.121 77 HA THR 11 HA THR 11 -16.323 7.039 2.079 78 HB THR 11 HB THR 11 -17.975 8.796 1.703 79 HG1 THR 11 HG1 THR 11 -16.328 10.401 3.389 80 1HG2 THR 11 HG21 THR 11 -18.230 7.507 3.790 81 2HG2 THR 11 HG22 THR 11 -17.279 8.726 4.666 82 3HG2 THR 11 HG23 THR 11 -18.829 9.165 3.936 83 H LEU 12 H LEU 12 -16.901 7.602 -0.203 84 HA LEU 12 HA LEU 12 -14.811 7.583 -1.818 85 1HB LEU 12 HB2 LEU 12 -17.101 7.221 -2.497 86 2HB LEU 12 HB3 LEU 12 -17.425 8.943 -2.564 87 HG LEU 12 HG LEU 12 -15.062 7.925 -4.141 88 1HD1 LEU 12 HD11 LEU 12 -17.950 7.446 -4.987 89 2HD1 LEU 12 HD12 LEU 12 -16.515 7.217 -6.011 90 3HD1 LEU 12 HD13 LEU 12 -16.751 6.196 -4.584 91 1HD2 LEU 12 HD21 LEU 12 -17.292 9.915 -4.783 92 2HD2 LEU 12 HD22 LEU 12 -15.653 10.340 -4.253 93 3HD2 LEU 12 HD23 LEU 12 -15.894 9.554 -5.812 94 HA PRO 13 HA PRO 13 -14.331 12.211 -2.834 95 1HB PRO 13 HB2 PRO 13 -15.145 14.122 -0.989 96 2HB PRO 13 HB3 PRO 13 -16.128 13.564 -2.372 97 1HG PRO 13 HG2 PRO 13 -16.228 12.553 0.487 98 2HG PRO 13 HG3 PRO 13 -17.599 13.067 -0.539 99 1HD PRO 13 HD2 PRO 13 -17.018 10.481 -0.302 100 2HD PRO 13 HD3 PRO 13 -17.383 11.133 -1.922 101 H GLN 14 H GLN 14 -14.095 10.947 0.477 102 HA GLN 14 HA GLN 14 -11.842 12.588 1.244 103 1HB GLN 14 HB2 GLN 14 -12.721 9.979 2.404 104 2HB GLN 14 HB3 GLN 14 -11.587 11.171 3.085 105 1HG GLN 14 HG2 GLN 14 -13.364 12.896 3.164 106 2HG GLN 14 HG3 GLN 14 -14.531 11.759 2.482 107 1HE2 GLN 14 HE21 GLN 14 -13.409 11.314 6.420 108 2HE2 GLN 14 HE22 GLN 14 -12.354 12.194 5.332 109 H VAL 15 H VAL 15 -12.268 9.692 -0.752 110 HA VAL 15 HA VAL 15 -9.520 8.776 -0.572 111 HB VAL 15 HB VAL 15 -11.440 8.562 -2.934 112 1HG1 VAL 15 HG11 VAL 15 -8.932 7.022 -2.179 113 2HG1 VAL 15 HG12 VAL 15 -10.064 6.550 -3.468 114 3HG1 VAL 15 HG13 VAL 15 -9.170 8.067 -3.589 115 1HG2 VAL 15 HG22 VAL 15 -12.475 7.579 -0.886 116 2HG2 VAL 15 HG23 VAL 15 -12.037 6.388 -2.111 117 3HG2 VAL 15 HG21 VAL 15 -11.024 6.587 -0.659 118 H LYS 16 H LYS 16 -11.327 10.871 -2.811 119 HA LYS 16 HA LYS 16 -9.178 11.702 -4.467 120 1HB LYS 16 HB2 LYS 16 -11.729 13.198 -3.723 121 2HB LYS 16 HB3 LYS 16 -10.614 13.615 -5.029 122 1HG LYS 16 HG2 LYS 16 -11.069 11.477 -6.162 123 2HG LYS 16 HG3 LYS 16 -12.089 10.947 -4.827 124 1HD LYS 16 HD2 LYS 16 -13.462 11.718 -6.690 125 2HD LYS 16 HD3 LYS 16 -13.722 12.694 -5.244 126 1HE LYS 16 HE2 LYS 16 -13.643 14.061 -7.305 127 2HE LYS 16 HE3 LYS 16 -12.382 14.527 -6.161 128 1HZ LYS 16 HZ3 LYS 16 -12.015 12.790 -8.508 129 2HZ LYS 16 HZ1 LYS 16 -11.570 14.372 -8.398 130 3HZ LYS 16 HZ2 LYS 16 -10.828 13.244 -7.455 131 H ALA 17 H ALA 17 -10.495 13.085 -1.421 132 HA ALA 17 HA ALA 17 -8.663 15.235 -1.210 133 1HB ALA 17 HB2 ALA 17 -10.633 14.959 0.231 134 2HB ALA 17 HB3 ALA 17 -9.837 13.614 1.085 135 3HB ALA 17 HB1 ALA 17 -9.137 15.243 1.147 136 H MET 18 H MET 18 -8.389 12.055 0.471 137 HA MET 18 HA MET 18 -5.914 12.415 1.614 138 1HB MET 18 HB2 MET 18 -7.349 9.923 0.717 139 2HB MET 18 HB3 MET 18 -5.757 9.850 1.488 140 1HG MET 18 HG2 MET 18 -6.542 11.112 3.420 141 2HG MET 18 HG3 MET 18 -8.168 11.221 2.742 142 1HE MET 18 HE1 MET 18 -8.750 8.403 1.621 143 2HE MET 18 HE2 MET 18 -9.449 7.570 3.032 144 3HE MET 18 HE3 MET 18 -9.863 9.271 2.701 145 H LEU 19 H LEU 19 -6.519 10.944 -1.617 146 HA LEU 19 HA LEU 19 -3.908 10.239 -2.304 147 1HB LEU 19 HB2 LEU 19 -6.162 11.392 -3.976 148 2HB LEU 19 HB3 LEU 19 -4.660 10.814 -4.702 149 HG LEU 19 HG LEU 19 -6.351 9.013 -2.923 150 1HD1 LEU 19 HD13 LEU 19 -6.478 9.406 -5.949 151 2HD1 LEU 19 HD11 LEU 19 -7.270 8.092 -5.056 152 3HD1 LEU 19 HD12 LEU 19 -7.764 9.773 -4.784 153 1HD2 LEU 19 HD21 LEU 19 -3.957 8.320 -3.420 154 2HD2 LEU 19 HD22 LEU 19 -5.170 7.218 -4.085 155 3HD2 LEU 19 HD23 LEU 19 -4.360 8.386 -5.143 156 H GLU 20 H GLU 20 -5.289 13.523 -2.340 157 HA GLU 20 HA GLU 20 -3.121 14.652 -3.883 158 1HB GLU 20 HB2 GLU 20 -5.223 15.931 -2.105 159 2HB GLU 20 HB3 GLU 20 -4.127 16.817 -3.172 160 1HG GLU 20 HG2 GLU 20 -5.066 15.769 -5.144 161 2HG GLU 20 HG3 GLU 20 -6.039 14.655 -4.178 162 HE2 GLU 20 HE GLU 20 -7.836 15.365 -3.269 163 H LYS 21 H LYS 21 -3.168 13.532 -0.634 164 HA LYS 21 HA LYS 21 -0.882 15.339 0.080 165 1HB LYS 21 HB2 LYS 21 -2.727 13.734 1.908 166 2HB LYS 21 HB3 LYS 21 -1.298 14.655 2.390 167 1HG LYS 21 HG2 LYS 21 -2.885 16.228 2.832 168 2HG LYS 21 HG3 LYS 21 -2.431 16.668 1.187 169 1HD LYS 21 HD2 LYS 21 -4.498 14.865 0.727 170 2HD LYS 21 HD3 LYS 21 -4.984 15.543 2.280 171 1HE LYS 21 HE2 LYS 21 -4.731 17.853 1.293 172 2HE LYS 21 HE3 LYS 21 -4.282 17.098 -0.253 173 1HZ LYS 21 HZ2 LYS 21 -6.434 16.021 -0.245 174 2HZ LYS 21 HZ3 LYS 21 -6.854 16.814 1.140 175 3HZ LYS 21 HZ1 LYS 21 -6.576 17.668 -0.243 176 H ASP 22 H ASP 22 -1.091 12.684 -1.645 177 HA ASP 22 HA ASP 22 0.500 10.826 -0.127 178 1HB ASP 22 HB2 ASP 22 -0.720 10.228 -2.214 179 2HB ASP 22 HB3 ASP 22 0.483 11.153 -3.134 180 HD1 ASP 22 HD ASP 22 3.065 8.784 -2.329 181 H THR 23 H THR 23 2.394 11.488 0.827 182 HA THR 23 HA THR 23 4.056 13.565 -0.368 183 HB THR 23 HB THR 23 5.483 13.064 1.618 184 HG1 THR 23 HG1 THR 23 4.890 10.861 1.631 185 1HG2 THR 23 HG22 THR 23 3.644 14.707 1.823 186 2HG2 THR 23 HG23 THR 23 2.534 13.401 2.286 187 3HG2 THR 23 HG21 THR 23 3.908 13.809 3.331 188 H GLY 24 H GLY 24 4.387 12.406 -2.449 189 1HA GLY 24 HA2 GLY 24 7.094 11.300 -2.454 190 2HA GLY 24 HA3 GLY 24 5.885 10.102 -2.858 191 H LYS 25 H LYS 25 7.915 12.410 -4.095 192 HA LYS 25 HA LYS 25 6.237 13.565 -6.197 193 1HB LYS 25 HB2 LYS 25 9.260 13.654 -5.835 194 2HB LYS 25 HB3 LYS 25 8.273 14.745 -6.809 195 1HG LYS 25 HG2 LYS 25 8.321 14.545 -3.758 196 2HG LYS 25 HG3 LYS 25 9.015 15.815 -4.767 197 1HD LYS 25 HD2 LYS 25 6.727 16.424 -5.580 198 2HD LYS 25 HD3 LYS 25 6.034 15.156 -4.555 199 1HE LYS 25 HE2 LYS 25 5.794 17.294 -3.444 200 2HE LYS 25 HE3 LYS 25 6.910 16.270 -2.528 201 1HZ LYS 25 HZ3 LYS 25 7.695 18.403 -4.394 202 2HZ LYS 25 HZ1 LYS 25 7.687 18.520 -2.751 203 3HZ LYS 25 HZ2 LYS 25 8.723 17.480 -3.495 204 H VAL 26 H VAL 26 7.001 13.409 -8.450 205 HA VAL 26 HA VAL 26 6.993 10.674 -9.324 206 HB VAL 26 HB VAL 26 7.481 13.240 -10.900 207 1HG1 VAL 26 HG13 VAL 26 7.916 11.124 -12.180 208 2HG1 VAL 26 HG11 VAL 26 6.244 10.623 -11.831 209 3HG1 VAL 26 HG12 VAL 26 6.559 12.061 -12.808 210 1HG2 VAL 26 HG21 VAL 26 4.872 11.941 -10.040 211 2HG2 VAL 26 HG22 VAL 26 5.407 13.598 -9.710 212 3HG2 VAL 26 HG23 VAL 26 4.983 13.129 -11.355 213 H SER 27 H SER 27 8.756 9.398 -10.084 214 HA SER 27 HA SER 27 11.287 10.743 -10.822 215 1HB SER 27 HB2 SER 27 11.192 8.455 -8.833 216 2HB SER 27 HB3 SER 27 12.616 9.323 -9.424 217 HG SER 27 HG SER 27 11.103 11.212 -8.532 218 H GLY 28 H GLY 28 9.996 10.123 -12.827 219 1HA GLY 28 HA2 GLY 28 10.008 8.918 -14.758 220 2HA GLY 28 HA3 GLY 28 11.437 8.081 -14.137 221 H ASP 29 H ASP 29 11.176 6.058 -13.076 222 HA ASP 29 HA ASP 29 8.556 4.665 -13.451 223 1HB ASP 29 HB2 ASP 29 9.821 2.656 -13.758 224 2HB ASP 29 HB3 ASP 29 10.519 3.859 -14.854 225 HD1 ASP 29 HD ASP 29 13.213 4.163 -12.268 226 H THR 30 H THR 30 9.643 6.377 -11.124 227 HA THR 30 HA THR 30 9.112 4.491 -8.936 228 HB THR 30 HB THR 30 11.749 5.861 -9.605 229 HG1 THR 30 HG1 THR 30 11.036 3.524 -9.990 230 1HG2 THR 30 HG22 THR 30 11.107 4.845 -6.833 231 2HG2 THR 30 HG23 THR 30 12.683 5.318 -7.487 232 3HG2 THR 30 HG21 THR 30 11.418 6.537 -7.289 233 H VAL 31 H VAL 31 8.904 5.767 -6.895 234 HA VAL 31 HA VAL 31 8.241 8.635 -7.309 235 HB VAL 31 HB VAL 31 6.595 6.415 -6.122 236 1HG1 VAL 31 HG11 VAL 31 6.527 9.266 -5.077 237 2HG1 VAL 31 HG12 VAL 31 5.263 8.057 -4.781 238 3HG1 VAL 31 HG13 VAL 31 6.888 7.814 -4.114 239 1HG2 VAL 31 HG21 VAL 31 6.027 7.391 -8.283 240 2HG2 VAL 31 HG22 VAL 31 4.760 7.715 -7.090 241 3HG2 VAL 31 HG23 VAL 31 5.889 9.005 -7.551 242 H THR 32 H THR 32 8.925 10.005 -5.488 243 HA THR 32 HA THR 32 10.798 8.659 -3.594 244 HB THR 32 HB THR 32 11.423 10.930 -5.527 245 HG1 THR 32 HG1 THR 32 11.844 9.343 -6.736 246 1HG2 THR 32 HG21 THR 32 13.124 9.723 -3.317 247 2HG2 THR 32 HG22 THR 32 13.784 10.638 -4.692 248 3HG2 THR 32 HG23 THR 32 12.660 11.413 -3.570 249 H TYR 33 H TYR 33 10.925 9.654 -1.594 250 HA TYR 33 HA TYR 33 9.652 12.331 -1.413 251 1HB TYR 33 HB2 TYR 33 8.450 10.381 -0.224 252 2HB TYR 33 HB3 TYR 33 9.767 10.428 0.929 253 HD1 TYR 33 HD2 TYR 33 7.680 13.052 -0.939 254 HD2 TYR 33 HD1 TYR 33 9.080 11.673 2.906 255 HE1 TYR 33 HE2 TYR 33 7.043 15.202 0.074 256 HE2 TYR 33 HE1 TYR 33 8.220 13.736 3.937 257 HH TYR 33 HH TYR 33 7.177 15.768 3.589 258 H SER 34 H SER 34 10.547 12.982 1.223 259 HA SER 34 HA SER 34 13.456 13.075 1.120 260 1HB SER 34 HB2 SER 34 11.967 15.674 0.573 261 2HB SER 34 HB3 SER 34 13.717 15.415 0.676 262 HG SER 34 HG SER 34 13.070 13.748 -1.124 263 H GLY 35 H GLY 35 10.499 14.709 2.439 264 1HA GLY 35 HA2 GLY 35 11.798 15.500 4.901 265 2HA GLY 35 HA3 GLY 35 10.057 15.470 4.571 266 H LYS 36 H LYS 36 11.319 14.576 7.061 267 HA LYS 36 HA LYS 36 11.519 11.688 6.970 268 1HB LYS 36 HB2 LYS 36 11.402 13.491 9.403 269 2HB LYS 36 HB3 LYS 36 12.019 11.844 9.331 270 1HG LYS 36 HG2 LYS 36 13.244 14.349 8.117 271 2HG LYS 36 HG3 LYS 36 13.871 13.365 9.425 272 1HD LYS 36 HD2 LYS 36 13.683 12.588 6.477 273 2HD LYS 36 HD3 LYS 36 15.137 12.987 7.379 274 1HE LYS 36 HE2 LYS 36 13.395 10.514 7.798 275 2HE LYS 36 HE3 LYS 36 15.006 10.588 7.078 276 1HZ LYS 36 HZ2 LYS 36 15.839 11.354 9.186 277 2HZ LYS 36 HZ3 LYS 36 14.343 11.170 9.864 278 3HZ LYS 36 HZ1 LYS 36 15.150 9.860 9.260 279 H THR 37 H THR 37 8.980 12.337 5.995 280 HA THR 37 HA THR 37 7.261 10.896 7.841 281 HB THR 37 HB THR 37 6.460 13.738 7.088 282 HG1 THR 37 HG1 THR 37 7.801 12.691 9.274 283 1HG2 THR 37 HG23 THR 37 5.170 11.657 8.916 284 2HG2 THR 37 HG21 THR 37 4.615 13.326 8.683 285 3HG2 THR 37 HG22 THR 37 4.548 12.178 7.335 286 H VAL 38 H VAL 38 6.680 9.386 6.356 287 HA VAL 38 HA VAL 38 6.149 10.246 3.536 288 HB VAL 38 HB VAL 38 7.223 7.662 4.645 289 1HG1 VAL 38 HG11 VAL 38 6.287 8.408 1.841 290 2HG1 VAL 38 HG12 VAL 38 7.378 7.059 2.167 291 3HG1 VAL 38 HG13 VAL 38 5.753 7.019 2.831 292 1HG2 VAL 38 HG22 VAL 38 8.819 9.628 4.328 293 2HG2 VAL 38 HG23 VAL 38 9.175 8.206 3.343 294 3HG2 VAL 38 HG21 VAL 38 8.369 9.596 2.609 295 H HIS 39 H HIS 39 4.062 10.870 3.916 296 HA HIS 39 HA HIS 39 2.028 8.965 4.939 297 1HB HIS 39 HB2 HIS 39 1.756 11.254 5.660 298 2HB HIS 39 HB3 HIS 39 1.944 11.852 4.005 299 HD1 HIS 39 HD1 HIS 39 -0.230 12.156 2.671 300 HD2 HIS 39 HD2 HIS 39 -0.478 9.331 5.782 301 HE1 HIS 39 HE1 HIS 39 -2.626 11.231 2.626 302 HE2 HIS 39 HE2 HIS 39 -2.734 9.470 4.500 303 H VAL 40 H VAL 40 2.005 7.364 3.366 304 HA VAL 40 HA VAL 40 1.809 8.139 0.472 305 HB VAL 40 HB VAL 40 2.656 5.637 1.932 306 1HG1 VAL 40 HG12 VAL 40 1.873 5.761 -1.013 307 2HG1 VAL 40 HG13 VAL 40 2.788 4.453 -0.243 308 3HG1 VAL 40 HG11 VAL 40 1.116 4.744 0.239 309 1HG2 VAL 40 HG23 VAL 40 4.221 7.524 1.236 310 2HG2 VAL 40 HG21 VAL 40 4.646 5.916 0.610 311 3HG2 VAL 40 HG22 VAL 40 3.863 7.113 -0.445 312 H VAL 41 H VAL 41 0.112 7.114 -0.803 313 HA VAL 41 HA VAL 41 -2.284 6.296 0.725 314 HB VAL 41 HB VAL 41 -2.240 8.270 -1.585 315 1HG1 VAL 41 HG12 VAL 41 -4.401 7.369 0.370 316 2HG1 VAL 41 HG13 VAL 41 -4.601 8.633 -0.852 317 3HG1 VAL 41 HG11 VAL 41 -4.325 6.951 -1.357 318 1HG2 VAL 41 HG21 VAL 41 -2.575 8.778 1.409 319 2HG2 VAL 41 HG22 VAL 41 -1.238 9.363 0.397 320 3HG2 VAL 41 HG23 VAL 41 -2.865 9.958 0.122 321 H ALA 42 H ALA 42 -2.557 4.240 0.158 322 HA ALA 42 HA ALA 42 -1.884 3.317 -2.611 323 1HB ALA 42 HB2 ALA 42 -1.795 1.862 0.058 324 2HB ALA 42 HB3 ALA 42 -1.498 1.127 -1.534 325 3HB ALA 42 HB1 ALA 42 -0.410 2.388 -0.917 326 H ALA 43 H ALA 43 -3.787 3.325 -3.709 327 HA ALA 43 HA ALA 43 -6.275 2.427 -2.385 328 1HB ALA 43 HB3 ALA 43 -6.341 4.489 -3.705 329 2HB ALA 43 HB1 ALA 43 -5.812 3.592 -5.146 330 3HB ALA 43 HB2 ALA 43 -7.375 3.221 -4.386 331 H ALA 44 H ALA 44 -6.688 0.232 -2.437 332 HA ALA 44 HA ALA 44 -5.132 -1.419 -4.373 333 1HB ALA 44 HB3 ALA 44 -5.096 -1.982 -1.960 334 2HB ALA 44 HB1 ALA 44 -6.827 -2.373 -2.059 335 3HB ALA 44 HB2 ALA 44 -5.666 -3.288 -3.013 336 H VAL 45 H VAL 45 -6.100 -1.446 -6.331 337 HA VAL 45 HA VAL 45 -7.627 -1.615 -7.965 338 HB VAL 45 HB VAL 45 -8.862 -3.816 -6.272 339 1HG1 VAL 45 HG11 VAL 45 -9.977 -3.243 -8.489 340 2HG1 VAL 45 HG12 VAL 45 -8.423 -3.531 -9.287 341 3HG1 VAL 45 HG13 VAL 45 -9.258 -4.856 -8.458 342 1HG2 VAL 45 HG23 VAL 45 -6.358 -3.877 -7.956 343 2HG2 VAL 45 HG21 VAL 45 -6.462 -4.120 -6.199 344 3HG2 VAL 45 HG22 VAL 45 -7.185 -5.308 -7.287 345 H LEU 46 H LEU 46 -8.623 0.481 -7.693 346 HA LEU 46 HA LEU 46 -11.141 0.643 -6.209 347 1HB LEU 46 HB2 LEU 46 -9.779 2.427 -8.257 348 2HB LEU 46 HB3 LEU 46 -11.329 2.844 -7.525 349 HG LEU 46 HG LEU 46 -8.778 2.331 -5.938 350 1HD1 LEU 46 HD11 LEU 46 -9.979 4.962 -6.912 351 2HD1 LEU 46 HD12 LEU 46 -8.612 4.812 -5.791 352 3HD1 LEU 46 HD13 LEU 46 -8.451 4.236 -7.457 353 1HD2 LEU 46 HD22 LEU 46 -11.470 3.605 -5.229 354 2HD2 LEU 46 HD23 LEU 46 -10.783 2.114 -4.542 355 3HD2 LEU 46 HD21 LEU 46 -10.033 3.679 -4.199 356 HA PRO 47 HA PRO 47 -13.559 -1.470 -9.174 357 1HB PRO 47 HB2 PRO 47 -15.991 -0.133 -9.107 358 2HB PRO 47 HB3 PRO 47 -15.407 -1.269 -7.859 359 1HG PRO 47 HG2 PRO 47 -15.197 1.751 -7.854 360 2HG PRO 47 HG3 PRO 47 -15.763 0.689 -6.529 361 1HD PRO 47 HD2 PRO 47 -13.241 1.624 -6.558 362 2HD PRO 47 HD3 PRO 47 -13.530 -0.083 -6.106 363 H GLY 48 H GLY 48 -12.955 -1.336 -11.233 364 1HA GLY 48 HA2 GLY 48 -13.696 -0.261 -13.432 365 2HA GLY 48 HA3 GLY 48 -13.088 1.250 -12.730 366 H PHE 49 H PHE 49 -10.889 0.106 -11.244 367 HA PHE 49 HA PHE 49 -8.971 -0.107 -13.454 368 1HB PHE 49 HB2 PHE 49 -8.652 0.061 -10.444 369 2HB PHE 49 HB3 PHE 49 -7.305 -0.098 -11.553 370 HD1 PHE 49 HD1 PHE 49 -6.705 1.722 -13.139 371 HD2 PHE 49 HD2 PHE 49 -10.034 2.169 -10.451 372 HE1 PHE 49 HE1 PHE 49 -6.642 4.183 -13.458 373 HE2 PHE 49 HE2 PHE 49 -9.892 4.634 -10.675 374 HZ PHE 49 HZ PHE 49 -8.191 5.645 -12.179 375 HA PRO 50 HA PRO 50 -8.962 -4.491 -13.253 376 1HB PRO 50 HB2 PRO 50 -6.593 -5.170 -14.432 377 2HB PRO 50 HB3 PRO 50 -7.909 -4.349 -15.322 378 1HG PRO 50 HG2 PRO 50 -5.498 -3.059 -14.005 379 2HG PRO 50 HG3 PRO 50 -6.068 -2.838 -15.688 380 1HD PRO 50 HD2 PRO 50 -6.742 -1.087 -13.723 381 2HD PRO 50 HD3 PRO 50 -7.937 -1.558 -14.970 382 H PHE 51 H PHE 51 -8.147 -6.306 -12.157 383 HA PHE 51 HA PHE 51 -6.716 -5.782 -9.704 384 1HB PHE 51 HB2 PHE 51 -7.765 -8.263 -11.118 385 2HB PHE 51 HB3 PHE 51 -6.637 -8.446 -9.803 386 HD1 PHE 51 HD2 PHE 51 -10.009 -7.045 -10.625 387 HD2 PHE 51 HD1 PHE 51 -7.296 -8.398 -7.551 388 HE1 PHE 51 HE2 PHE 51 -11.890 -7.190 -9.014 389 HE2 PHE 51 HE1 PHE 51 -9.198 -8.537 -5.951 390 HZ PHE 51 HZ PHE 51 -11.478 -7.982 -6.697 391 HA PRO 52 HA PRO 52 -5.378 -6.640 -8.331 392 1HB PRO 52 HB2 PRO 52 -3.422 -7.951 -7.222 393 2HB PRO 52 HB3 PRO 52 -4.448 -8.822 -8.371 394 1HG PRO 52 HG2 PRO 52 -1.699 -7.663 -8.928 395 2HG PRO 52 HG3 PRO 52 -2.347 -9.267 -9.348 396 1HD PRO 52 HD2 PRO 52 -2.380 -6.946 -11.003 397 2HD PRO 52 HD3 PRO 52 -3.341 -8.426 -11.251 398 H SER 53 H SER 53 -4.876 -4.215 -9.402 399 HA SER 53 HA SER 53 -2.155 -3.382 -8.870 400 1HB SER 53 HB2 SER 53 -2.971 -1.232 -9.883 401 2HB SER 53 HB3 SER 53 -3.184 -2.664 -10.902 402 HG SER 53 HG SER 53 -5.353 -2.592 -10.556 403 H PHE 54 H PHE 54 -1.340 -2.554 -7.152 404 HA PHE 54 HA PHE 54 -2.845 -1.134 -5.038 405 1HB PHE 54 HB2 PHE 54 0.124 -1.689 -5.568 406 2HB PHE 54 HB3 PHE 54 -0.440 -0.647 -4.280 407 HD1 PHE 54 HD2 PHE 54 -2.572 -1.948 -2.916 408 HD2 PHE 54 HD1 PHE 54 1.078 -3.592 -4.556 409 HE1 PHE 54 HE2 PHE 54 -2.511 -3.694 -1.133 410 HE2 PHE 54 HE1 PHE 54 1.280 -5.065 -2.583 411 HZ PHE 54 HZ PHE 54 -0.514 -5.080 -0.860 412 H GLU 55 H GLU 55 -3.665 0.732 -6.089 413 HA GLU 55 HA GLU 55 -1.979 2.125 -8.017 414 1HB GLU 55 HB2 GLU 55 -4.609 3.215 -7.141 415 2HB GLU 55 HB3 GLU 55 -3.762 3.196 -8.713 416 1HG GLU 55 HG2 GLU 55 -4.307 0.849 -9.066 417 2HG GLU 55 HG3 GLU 55 -5.100 0.736 -7.496 418 HE1 GLU 55 HE GLU 55 -6.971 3.059 -10.178 419 H VAL 56 H VAL 56 -0.513 3.678 -7.392 420 HA VAL 56 HA VAL 56 -0.743 4.879 -4.661 421 HB VAL 56 HB VAL 56 1.741 3.973 -6.135 422 1HG1 VAL 56 HG13 VAL 56 1.375 5.366 -3.442 423 2HG1 VAL 56 HG11 VAL 56 2.873 4.563 -3.954 424 3HG1 VAL 56 HG12 VAL 56 2.294 5.974 -4.834 425 1HG2 VAL 56 HG23 VAL 56 0.402 2.978 -3.576 426 2HG2 VAL 56 HG21 VAL 56 0.474 2.097 -5.112 427 3HG2 VAL 56 HG22 VAL 56 1.956 2.408 -4.209 428 H HIS 57 H HIS 57 -1.937 6.457 -5.577 429 HA HIS 57 HA HIS 57 -2.538 8.361 -6.470 430 1HB HIS 57 HB2 HIS 57 -1.624 10.136 -5.436 431 2HB HIS 57 HB3 HIS 57 -0.960 8.822 -4.470 432 HD1 HIS 57 HD1 HIS 57 0.011 11.874 -6.235 433 HD2 HIS 57 HD2 HIS 57 1.798 8.275 -4.953 434 HE1 HIS 57 HE1 HIS 57 2.530 12.323 -6.079 435 HE2 HIS 57 HE2 HIS 57 3.610 10.181 -5.287 436 H ASP 58 H ASP 58 0.850 8.294 -7.515 437 HA ASP 58 HA ASP 58 0.135 9.688 -10.061 438 1HB ASP 58 HB2 ASP 58 1.891 10.765 -8.787 439 2HB ASP 58 HB3 ASP 58 2.767 9.235 -8.592 440 HD1 ASP 58 HD ASP 58 2.765 10.941 -12.246 441 H LYS 59 H LYS 59 1.219 6.610 -8.720 442 HA LYS 59 HA LYS 59 1.501 5.479 -11.467 443 1HB LYS 59 HB2 LYS 59 3.360 4.959 -9.119 444 2HB LYS 59 HB3 LYS 59 3.444 4.221 -10.735 445 1HG LYS 59 HG2 LYS 59 3.702 6.665 -11.591 446 2HG LYS 59 HG3 LYS 59 4.080 7.060 -9.894 447 1HD LYS 59 HD2 LYS 59 5.999 5.585 -9.893 448 2HD LYS 59 HD3 LYS 59 5.517 4.854 -11.435 449 1HE LYS 59 HE2 LYS 59 7.345 6.402 -11.785 450 2HE LYS 59 HE3 LYS 59 5.894 6.962 -12.627 451 1HZ LYS 59 HZ1 LYS 59 5.543 8.482 -10.775 452 2HZ LYS 59 HZ2 LYS 59 6.967 7.964 -10.088 453 3HZ LYS 59 HZ3 LYS 59 6.981 8.726 -11.543 454 H LYS 60 H LYS 60 1.807 2.913 -10.992 455 HA LYS 60 HA LYS 60 -0.007 2.087 -8.817 456 1HB LYS 60 HB2 LYS 60 -0.227 1.003 -11.646 457 2HB LYS 60 HB3 LYS 60 -1.266 0.640 -10.254 458 1HG LYS 60 HG2 LYS 60 -1.936 3.098 -10.250 459 2HG LYS 60 HG3 LYS 60 -1.039 3.279 -11.768 460 1HD LYS 60 HD2 LYS 60 -2.449 1.463 -12.779 461 2HD LYS 60 HD3 LYS 60 -3.448 1.467 -11.315 462 1HE LYS 60 HE2 LYS 60 -2.968 3.850 -13.176 463 2HE LYS 60 HE3 LYS 60 -4.427 2.852 -13.126 464 1HZ LYS 60 HZ1 LYS 60 -4.787 3.581 -10.876 465 2HZ LYS 60 HZ2 LYS 60 -3.422 4.508 -10.917 466 3HZ LYS 60 HZ3 LYS 60 -4.693 4.868 -11.896 467 H ASN 61 H ASN 61 0.963 0.616 -7.634 468 HA ASN 61 HA ASN 61 2.504 -0.813 -6.862 469 1HB ASN 61 HB2 ASN 61 2.740 -2.140 -9.585 470 2HB ASN 61 HB3 ASN 61 2.753 -2.832 -7.985 471 1HD2 ASN 61 HD21 ASN 61 -0.878 -1.735 -9.635 472 2HD2 ASN 61 HD22 ASN 61 0.651 -1.338 -10.403 473 HA PRO 62 HA PRO 62 6.008 1.304 -9.236 474 1HB PRO 62 HB2 PRO 62 6.407 3.700 -8.039 475 2HB PRO 62 HB3 PRO 62 5.024 3.441 -9.133 476 1HG PRO 62 HG2 PRO 62 5.034 3.151 -6.088 477 2HG PRO 62 HG3 PRO 62 3.998 4.248 -7.036 478 1HD PRO 62 HD2 PRO 62 3.106 1.774 -6.353 479 2HD PRO 62 HD3 PRO 62 2.806 2.474 -7.969 480 H THR 63 H THR 63 8.106 2.202 -8.309 481 HA THR 63 HA THR 63 8.888 0.781 -5.814 482 HB THR 63 HB THR 63 10.409 1.966 -8.171 483 HG1 THR 63 HG1 THR 63 9.450 -0.112 -8.341 484 1HG2 THR 63 HG23 THR 63 11.402 0.968 -5.492 485 2HG2 THR 63 HG21 THR 63 12.415 0.970 -6.961 486 3HG2 THR 63 HG22 THR 63 11.792 2.504 -6.327 487 H LEU 64 H LEU 64 9.433 2.029 -4.017 488 HA LEU 64 HA LEU 64 9.034 4.980 -4.229 489 1HB LEU 64 HB2 LEU 64 8.527 3.057 -1.938 490 2HB LEU 64 HB3 LEU 64 8.649 4.808 -1.768 491 HG LEU 64 HG LEU 64 6.837 4.955 -3.623 492 1HD1 LEU 64 HD12 LEU 64 6.343 2.130 -2.558 493 2HD1 LEU 64 HD13 LEU 64 5.205 3.065 -3.547 494 3HD1 LEU 64 HD11 LEU 64 6.741 2.540 -4.238 495 1HD2 LEU 64 HD22 LEU 64 6.191 3.982 -0.809 496 2HD2 LEU 64 HD23 LEU 64 6.520 5.660 -1.295 497 3HD2 LEU 64 HD21 LEU 64 5.072 4.835 -1.895 498 H GLU 65 H GLU 65 10.640 6.314 -3.516 499 HA GLU 65 HA GLU 65 13.056 5.118 -2.185 500 1HB GLU 65 HB2 GLU 65 12.830 7.594 -3.909 501 2HB GLU 65 HB3 GLU 65 14.282 7.082 -3.029 502 1HG GLU 65 HG2 GLU 65 14.165 4.882 -4.301 503 2HG GLU 65 HG3 GLU 65 12.846 5.564 -5.246 504 HE1 GLU 65 HE GLU 65 13.547 7.931 -5.989 505 H ILE 66 H ILE 66 13.187 5.546 -0.092 506 HA ILE 66 HA ILE 66 11.678 7.861 1.017 507 HB ILE 66 HB ILE 66 11.884 4.976 1.602 508 1HG1 ILE 66 HG12 ILE 66 9.598 6.957 1.366 509 2HG1 ILE 66 HG13 ILE 66 10.085 5.697 0.227 510 1HG2 ILE 66 HG21 ILE 66 11.084 7.012 3.733 511 2HG2 ILE 66 HG22 ILE 66 10.843 5.261 3.841 512 3HG2 ILE 66 HG23 ILE 66 12.470 5.908 3.806 513 1HD1 ILE 66 HD12 ILE 66 9.606 4.010 2.106 514 2HD1 ILE 66 HD13 ILE 66 8.770 5.334 2.925 515 3HD1 ILE 66 HD11 ILE 66 8.211 4.797 1.331 516 HA PRO 67 HA PRO 67 15.408 8.790 3.373 517 1HB PRO 67 HB2 PRO 67 13.545 10.167 5.263 518 2HB PRO 67 HB3 PRO 67 15.000 10.807 4.457 519 1HG PRO 67 HG2 PRO 67 12.481 11.486 3.663 520 2HG PRO 67 HG3 PRO 67 13.796 11.211 2.470 521 1HD PRO 67 HD2 PRO 67 11.577 9.333 3.300 522 2HD PRO 67 HD3 PRO 67 12.201 9.766 1.675 523 H ALA 68 H ALA 68 16.270 7.282 4.704 524 HA ALA 68 HA ALA 68 14.996 5.398 6.346 525 1HB ALA 68 HB3 ALA 68 17.407 5.322 5.628 526 2HB ALA 68 HB1 ALA 68 17.749 6.651 6.750 527 3HB ALA 68 HB2 ALA 68 17.203 5.081 7.377 528 H GLY 69 H GLY 69 14.222 5.340 8.400 529 1HA GLY 69 HA2 GLY 69 13.614 6.084 10.476 530 2HA GLY 69 HA3 GLY 69 14.721 7.452 10.330 531 H ALA 70 H ALA 70 12.724 7.593 7.544 532 HA ALA 70 HA ALA 70 11.178 9.763 8.577 533 1HB ALA 70 HB3 ALA 70 10.676 7.945 6.173 534 2HB ALA 70 HB1 ALA 70 9.837 9.473 6.492 535 3HB ALA 70 HB2 ALA 70 11.573 9.479 6.151 536 H THR 71 H THR 71 8.966 9.842 9.258 537 HA THR 71 HA THR 71 7.957 7.290 10.361 538 HB THR 71 HB THR 71 6.635 10.027 10.316 539 HG1 THR 71 HG1 THR 71 8.629 9.953 11.448 540 1HG2 THR 71 HG21 THR 71 6.103 7.446 11.879 541 2HG2 THR 71 HG22 THR 71 5.357 9.020 12.235 542 3HG2 THR 71 HG23 THR 71 5.026 8.208 10.695 543 H VAL 72 H VAL 72 7.417 5.901 8.773 544 HA VAL 72 HA VAL 72 6.066 6.771 6.319 545 HB VAL 72 HB VAL 72 6.863 4.019 7.391 546 1HG1 VAL 72 HG11 VAL 72 5.591 4.870 4.743 547 2HG1 VAL 72 HG12 VAL 72 6.363 3.296 5.008 548 3HG1 VAL 72 HG13 VAL 72 4.926 3.732 5.941 549 1HG2 VAL 72 HG22 VAL 72 8.737 5.575 6.646 550 2HG2 VAL 72 HG23 VAL 72 8.578 4.082 5.694 551 3HG2 VAL 72 HG21 VAL 72 7.981 5.618 5.052 552 H ASP 73 H ASP 73 3.922 6.682 5.997 553 HA ASP 73 HA ASP 73 2.162 5.051 7.699 554 1HB ASP 73 HB2 ASP 73 2.053 8.057 7.487 555 2HB ASP 73 HB3 ASP 73 0.542 7.138 7.483 556 HD1 ASP 73 HD ASP 73 0.978 5.810 10.710 557 H VAL 74 H VAL 74 1.842 3.642 6.077 558 HA VAL 74 HA VAL 74 1.133 4.593 3.360 559 HB VAL 74 HB VAL 74 1.308 1.833 4.589 560 1HG1 VAL 74 HG11 VAL 74 0.756 2.656 1.698 561 2HG1 VAL 74 HG12 VAL 74 1.039 0.998 2.265 562 3HG1 VAL 74 HG13 VAL 74 -0.408 1.864 2.781 563 1HG2 VAL 74 HG21 VAL 74 3.097 3.256 2.579 564 2HG2 VAL 74 HG22 VAL 74 3.505 2.863 4.262 565 3HG2 VAL 74 HG23 VAL 74 3.254 1.564 3.092 566 H THR 75 H THR 75 -0.792 5.603 3.376 567 HA THR 75 HA THR 75 -3.029 4.771 5.037 568 HB THR 75 HB THR 75 -3.154 6.666 2.665 569 HG1 THR 75 HG1 THR 75 -1.509 7.419 3.818 570 1HG2 THR 75 HG21 THR 75 -4.739 6.407 5.239 571 2HG2 THR 75 HG22 THR 75 -4.889 7.736 4.074 572 3HG2 THR 75 HG23 THR 75 -5.306 6.082 3.596 573 H PHE 76 H PHE 76 -3.919 2.763 4.449 574 HA PHE 76 HA PHE 76 -4.119 2.080 1.615 575 1HB PHE 76 HB2 PHE 76 -5.210 0.882 4.166 576 2HB PHE 76 HB3 PHE 76 -6.019 0.464 2.682 577 HD1 PHE 76 HD2 PHE 76 -3.485 0.283 0.848 578 HD2 PHE 76 HD1 PHE 76 -4.878 -1.496 4.529 579 HE1 PHE 76 HE2 PHE 76 -3.384 -1.883 -0.168 580 HE2 PHE 76 HE1 PHE 76 -4.454 -3.742 3.567 581 HZ PHE 76 HZ PHE 76 -3.858 -3.935 1.147 582 H ILE 77 H ILE 77 -5.803 2.038 0.321 583 HA ILE 77 HA ILE 77 -8.522 2.743 1.261 584 HB ILE 77 HB ILE 77 -7.058 4.054 -1.067 585 1HG1 ILE 77 HG12 ILE 77 -8.939 5.796 0.101 586 2HG1 ILE 77 HG13 ILE 77 -8.361 4.891 1.478 587 1HG2 ILE 77 HG22 ILE 77 -9.973 3.337 -0.841 588 2HG2 ILE 77 HG23 ILE 77 -9.463 4.768 -1.768 589 3HG2 ILE 77 HG21 ILE 77 -8.902 3.180 -2.240 590 1HD1 ILE 77 HD11 ILE 77 -5.996 5.419 0.770 591 2HD1 ILE 77 HD12 ILE 77 -6.673 6.410 -0.548 592 3HD1 ILE 77 HD13 ILE 77 -6.967 6.856 1.144 593 H ASN 78 H ASN 78 -8.301 0.534 1.637 594 HA ASN 78 HA ASN 78 -8.101 -1.212 -0.797 595 1HB ASN 78 HB2 ASN 78 -6.376 -1.914 0.479 596 2HB ASN 78 HB3 ASN 78 -7.116 -1.613 2.028 597 1HD2 ASN 78 HD21 ASN 78 -7.439 -5.091 2.232 598 2HD2 ASN 78 HD22 ASN 78 -6.801 -3.622 2.888 599 H THR 79 H THR 79 -10.111 -0.359 -1.267 600 HA THR 79 HA THR 79 -12.414 -1.394 0.290 601 HB THR 79 HB THR 79 -13.445 0.659 -1.021 602 HG1 THR 79 HG1 THR 79 -11.785 0.953 -2.511 603 1HG2 THR 79 HG23 THR 79 -11.229 1.017 1.037 604 2HG2 THR 79 HG21 THR 79 -12.489 2.175 0.608 605 3HG2 THR 79 HG22 THR 79 -12.933 0.616 1.360 606 H ASN 80 H ASN 80 -10.816 -2.833 -1.974 607 HA ASN 80 HA ASN 80 -12.792 -3.006 -4.103 608 1HB ASN 80 HB2 ASN 80 -10.333 -3.628 -4.336 609 2HB ASN 80 HB3 ASN 80 -10.694 -5.085 -3.401 610 1HD2 ASN 80 HD21 ASN 80 -11.916 -4.716 -7.303 611 2HD2 ASN 80 HD22 ASN 80 -11.150 -3.376 -6.448 612 H LYS 81 H LYS 81 -14.796 -3.553 -3.391 613 HA LYS 81 HA LYS 81 -15.528 -4.712 -1.073 614 1HB LYS 81 HB2 LYS 81 -16.944 -4.913 -3.753 615 2HB LYS 81 HB3 LYS 81 -17.674 -5.387 -2.210 616 1HG LYS 81 HG2 LYS 81 -17.354 -3.111 -1.312 617 2HG LYS 81 HG3 LYS 81 -16.571 -2.603 -2.811 618 1HD LYS 81 HD2 LYS 81 -18.776 -1.804 -3.011 619 2HD LYS 81 HD3 LYS 81 -18.706 -3.234 -4.042 620 1HE LYS 81 HE2 LYS 81 -20.786 -3.282 -2.830 621 2HE LYS 81 HE3 LYS 81 -19.780 -4.560 -2.144 622 1HZ LYS 81 HZ1 LYS 81 -20.179 -1.871 -1.017 623 2HZ LYS 81 HZ2 LYS 81 -20.871 -3.259 -0.472 624 3HZ LYS 81 HZ3 LYS 81 -19.250 -3.037 -0.331 625 H GLY 82 H GLY 82 -15.735 -6.723 -0.153 626 1HA GLY 82 HA2 GLY 82 -15.635 -9.017 0.085 627 2HA GLY 82 HA3 GLY 82 -15.527 -9.216 -1.668 628 H PHE 83 H PHE 83 -13.342 -7.968 -2.484 629 HA PHE 83 HA PHE 83 -11.228 -9.691 -1.436 630 1HB PHE 83 HB2 PHE 83 -11.218 -7.607 -3.630 631 2HB PHE 83 HB3 PHE 83 -9.895 -8.696 -3.267 632 HD1 PHE 83 HD1 PHE 83 -13.308 -8.461 -4.703 633 HD2 PHE 83 HD2 PHE 83 -9.991 -11.087 -3.837 634 HE1 PHE 83 HE1 PHE 83 -14.233 -10.150 -6.253 635 HE2 PHE 83 HE2 PHE 83 -10.909 -12.758 -5.421 636 HZ PHE 83 HZ PHE 83 -13.027 -12.291 -6.636 637 H GLY 84 H GLY 84 -11.512 -8.486 0.738 638 1HA GLY 84 HA2 GLY 84 -10.204 -5.963 1.223 639 2HA GLY 84 HA3 GLY 84 -10.362 -7.274 2.374 640 H HIS 85 H HIS 85 -8.316 -5.882 -0.110 641 HA HIS 85 HA HIS 85 -6.292 -7.888 -0.242 642 1HB HIS 85 HB2 HIS 85 -6.073 -4.876 -0.635 643 2HB HIS 85 HB3 HIS 85 -4.870 -6.046 -1.130 644 HD2 HIS 85 HD2 HIS 85 -8.211 -4.563 -2.208 645 HE1 HIS 85 HE1 HIS 85 -6.979 -7.140 -5.332 646 HE2 HIS 85 HE2 HIS 85 -8.651 -5.354 -4.638 647 H SER 86 H SER 86 -3.894 -7.072 0.416 648 HA SER 86 HA SER 86 -3.793 -6.158 3.216 649 1HB SER 86 HB2 SER 86 -2.052 -8.131 3.410 650 2HB SER 86 HB3 SER 86 -3.758 -8.482 3.647 651 HG SER 86 HG SER 86 -3.869 -9.168 1.500 652 H PHE 87 H PHE 87 -1.795 -5.037 3.553 653 HA PHE 87 HA PHE 87 0.070 -4.941 1.222 654 1HB PHE 87 HB2 PHE 87 -1.388 -2.897 1.556 655 2HB PHE 87 HB3 PHE 87 -0.586 -2.588 3.063 656 HD1 PHE 87 HD1 PHE 87 2.189 -2.644 2.785 657 HD2 PHE 87 HD2 PHE 87 -0.689 -1.630 -0.270 658 HE1 PHE 87 HE1 PHE 87 3.769 -1.008 1.818 659 HE2 PHE 87 HE2 PHE 87 0.976 -0.155 -1.338 660 HZ PHE 87 HZ PHE 87 3.190 0.207 -0.268 661 H ASP 88 H ASP 88 1.695 -6.197 2.050 662 HA ASP 88 HA ASP 88 2.508 -5.823 4.902 663 1HB ASP 88 HB2 ASP 88 2.567 -8.387 3.284 664 2HB ASP 88 HB3 ASP 88 3.037 -8.162 4.983 665 HD1 ASP 88 HD ASP 88 -0.514 -7.320 5.644 666 H ILE 89 H ILE 89 4.530 -5.291 5.255 667 HA ILE 89 HA ILE 89 6.298 -4.873 2.933 668 HB ILE 89 HB ILE 89 6.313 -3.617 5.698 669 1HG1 ILE 89 HG12 ILE 89 5.397 -2.557 2.986 670 2HG1 ILE 89 HG13 ILE 89 4.354 -2.939 4.363 671 1HG2 ILE 89 HG23 ILE 89 7.968 -3.087 3.188 672 2HG2 ILE 89 HG21 ILE 89 7.990 -2.098 4.663 673 3HG2 ILE 89 HG22 ILE 89 8.574 -3.750 4.720 674 1HD1 ILE 89 HD11 ILE 89 5.567 -1.173 5.700 675 2HD1 ILE 89 HD12 ILE 89 6.345 -0.663 4.182 676 3HD1 ILE 89 HD13 ILE 89 4.589 -0.590 4.343 677 H THR 90 H THR 90 8.156 -5.969 2.757 678 HA THR 90 HA THR 90 9.473 -7.349 4.943 679 HB THR 90 HB THR 90 7.593 -8.758 4.664 680 HG1 THR 90 HG1 THR 90 9.327 -10.012 4.958 681 1HG2 THR 90 HG21 THR 90 8.254 -8.916 1.673 682 2HG2 THR 90 HG22 THR 90 7.065 -9.932 2.505 683 3HG2 THR 90 HG23 THR 90 6.802 -8.190 2.391 684 H LYS 91 H LYS 91 10.567 -9.274 2.941 685 HA LYS 91 HA LYS 91 12.001 -7.442 1.068 686 1HB LYS 91 HB2 LYS 91 13.384 -9.351 3.010 687 2HB LYS 91 HB3 LYS 91 14.162 -8.491 1.662 688 1HG LYS 91 HG2 LYS 91 13.402 -6.332 2.730 689 2HG LYS 91 HG3 LYS 91 12.861 -7.258 4.134 690 1HD LYS 91 HD2 LYS 91 15.711 -7.130 3.040 691 2HD LYS 91 HD3 LYS 91 15.089 -6.223 4.425 692 1HE LYS 91 HE2 LYS 91 14.578 -8.386 5.595 693 2HE LYS 91 HE3 LYS 91 15.319 -9.268 4.243 694 1HZ LYS 91 HZ3 LYS 91 16.679 -7.315 5.954 695 2HZ LYS 91 HZ1 LYS 91 16.841 -8.951 6.027 696 3HZ LYS 91 HZ2 LYS 91 17.362 -8.133 4.696 697 H LYS 92 H LYS 92 12.827 -10.797 1.813 698 HA LYS 92 HA LYS 92 13.088 -12.558 0.444 699 1HB LYS 92 HB2 LYS 92 10.296 -11.852 -0.520 700 2HB LYS 92 HB3 LYS 92 11.110 -13.422 -0.670 701 1HG LYS 92 HG2 LYS 92 11.298 -13.451 1.864 702 2HG LYS 92 HG3 LYS 92 10.226 -12.043 1.909 703 1HD LYS 92 HD2 LYS 92 9.555 -14.749 0.649 704 2HD LYS 92 HD3 LYS 92 9.055 -14.226 2.262 705 1HE LYS 92 HE2 LYS 92 7.776 -12.342 1.285 706 2HE LYS 92 HE3 LYS 92 8.257 -12.854 -0.345 707 1HZ LYS 92 HZ3 LYS 92 6.686 -14.479 1.533 708 2HZ LYS 92 HZ1 LYS 92 6.101 -13.653 0.231 709 3HZ LYS 92 HZ2 LYS 92 7.141 -14.912 0.011 710 H GLY 93 H GLY 93 11.412 -12.140 -2.424 711 1HA GLY 93 HA2 GLY 93 12.854 -10.072 -3.684 712 2HA GLY 93 HA3 GLY 93 13.665 -11.620 -4.008 713 HA PRO 94 HA PRO 94 9.794 -11.329 -6.691 714 1HB PRO 94 HB2 PRO 94 10.672 -10.197 -9.022 715 2HB PRO 94 HB3 PRO 94 10.123 -9.221 -7.632 716 1HG PRO 94 HG2 PRO 94 12.973 -9.975 -8.354 717 2HG PRO 94 HG3 PRO 94 12.343 -8.347 -7.966 718 1HD PRO 94 HD2 PRO 94 13.572 -9.911 -6.088 719 2HD PRO 94 HD3 PRO 94 12.175 -8.878 -5.659 720 HA PRO 95 HA PRO 95 8.748 -12.007 -8.730 721 1HB PRO 95 HB2 PRO 95 7.543 -14.305 -9.531 722 2HB PRO 95 HB3 PRO 95 8.630 -13.383 -10.610 723 1HG PRO 95 HG2 PRO 95 9.330 -15.799 -8.917 724 2HG PRO 95 HG3 PRO 95 9.680 -15.544 -10.652 725 1HD PRO 95 HD2 PRO 95 11.526 -15.018 -8.688 726 2HD PRO 95 HD3 PRO 95 11.418 -14.000 -10.152 727 H TYR 96 H TYR 96 6.946 -12.116 -7.289 728 HA TYR 96 HA TYR 96 7.584 -13.386 -4.724 729 1HB TYR 96 HB2 TYR 96 5.421 -11.501 -5.631 730 2HB TYR 96 HB3 TYR 96 5.411 -12.282 -4.052 731 HD1 TYR 96 HD2 TYR 96 7.310 -9.883 -6.184 732 HD2 TYR 96 HD1 TYR 96 7.029 -11.796 -2.333 733 HE1 TYR 96 HE2 TYR 96 9.331 -8.662 -5.412 734 HE2 TYR 96 HE1 TYR 96 8.922 -10.425 -1.517 735 HH TYR 96 HH TYR 96 10.732 -9.136 -2.156 736 H ALA 97 H ALA 97 5.880 -14.560 -3.536 737 HA ALA 97 HA ALA 97 5.367 -16.930 -5.106 738 1HB ALA 97 HB2 ALA 97 6.176 -17.076 -2.782 739 2HB ALA 97 HB3 ALA 97 4.702 -16.270 -2.201 740 3HB ALA 97 HB1 ALA 97 4.604 -17.882 -2.939 741 H VAL 98 H VAL 98 3.477 -17.907 -5.639 742 HA VAL 98 HA VAL 98 1.152 -16.277 -6.106 743 HB VAL 98 HB VAL 98 1.637 -19.286 -6.227 744 1HG1 VAL 98 HG11 VAL 98 -0.782 -17.702 -7.197 745 2HG1 VAL 98 HG12 VAL 98 -0.450 -19.406 -7.559 746 3HG1 VAL 98 HG13 VAL 98 -0.776 -18.912 -5.896 747 1HG2 VAL 98 HG22 VAL 98 2.923 -17.960 -7.886 748 2HG2 VAL 98 HG23 VAL 98 1.655 -18.914 -8.667 749 3HG2 VAL 98 HG21 VAL 98 1.422 -17.172 -8.417 750 H MET 99 H MET 99 1.960 -18.886 -3.777 751 HA MET 99 HA MET 99 -0.499 -18.503 -2.284 752 1HB MET 99 HB2 MET 99 2.029 -20.095 -1.652 753 2HB MET 99 HB3 MET 99 0.552 -20.109 -0.697 754 1HG MET 99 HG2 MET 99 0.392 -22.032 -2.020 755 2HG MET 99 HG3 MET 99 -0.716 -20.869 -2.741 756 1HE MET 99 HE1 MET 99 2.618 -22.867 -3.065 757 2HE MET 99 HE2 MET 99 3.272 -22.282 -4.611 758 3HE MET 99 HE3 MET 99 3.262 -21.209 -3.197 759 HA PRO 100 HA PRO 100 1.122 -15.248 0.278 760 1HB PRO 100 HB2 PRO 100 -0.425 -15.418 2.539 761 2HB PRO 100 HB3 PRO 100 -1.045 -14.937 0.953 762 1HG PRO 100 HG2 PRO 100 -1.166 -17.684 2.183 763 2HG PRO 100 HG3 PRO 100 -2.501 -16.731 1.460 764 1HD PRO 100 HD2 PRO 100 -1.172 -18.632 0.032 765 2HD PRO 100 HD3 PRO 100 -1.690 -17.101 -0.735 766 H VAL 101 H VAL 101 3.173 -16.690 0.273 767 HA VAL 101 HA VAL 101 3.818 -17.948 2.852 768 HB VAL 101 HB VAL 101 5.717 -17.145 0.610 769 1HG1 VAL 101 HG13 VAL 101 5.897 -19.277 2.797 770 2HG1 VAL 101 HG11 VAL 101 7.091 -19.005 1.515 771 3HG1 VAL 101 HG12 VAL 101 6.846 -17.779 2.757 772 1HG2 VAL 101 HG23 VAL 101 4.135 -19.725 1.008 773 2HG2 VAL 101 HG21 VAL 101 4.002 -18.609 -0.364 774 3HG2 VAL 101 HG22 VAL 101 5.482 -19.529 -0.131 775 H ILE 102 H ILE 102 2.770 -15.697 3.613 776 HA ILE 102 HA ILE 102 4.711 -13.476 3.705 777 HB ILE 102 HB ILE 102 3.067 -12.375 4.954 778 1HG1 ILE 102 HG12 ILE 102 0.818 -14.211 4.165 779 2HG1 ILE 102 HG13 ILE 102 1.781 -14.730 5.535 780 1HG2 ILE 102 HG22 ILE 102 3.237 -12.122 2.485 781 2HG2 ILE 102 HG23 ILE 102 1.966 -13.342 2.276 782 3HG2 ILE 102 HG21 ILE 102 1.601 -11.793 3.061 783 1HD1 ILE 102 HD11 ILE 102 0.576 -11.949 5.346 784 2HD1 ILE 102 HD12 ILE 102 -0.187 -13.321 6.186 785 3HD1 ILE 102 HD13 ILE 102 1.374 -12.685 6.747 786 H ASP 103 H ASP 103 6.117 -14.937 4.676 787 HA ASP 103 HA ASP 103 5.710 -15.605 7.543 788 1HB ASP 103 HB2 ASP 103 7.764 -16.525 5.535 789 2HB ASP 103 HB3 ASP 103 7.965 -16.779 7.286 790 HD2 ASP 103 HD ASP 103 5.540 -19.225 7.409 791 HA PRO 104 HA PRO 104 9.264 -12.777 8.537 792 1HB PRO 104 HB2 PRO 104 11.090 -11.808 6.784 793 2HB PRO 104 HB3 PRO 104 11.094 -13.517 7.283 794 1HG PRO 104 HG2 PRO 104 9.782 -12.369 4.789 795 2HG PRO 104 HG3 PRO 104 10.989 -13.687 4.872 796 1HD PRO 104 HD2 PRO 104 8.330 -14.236 4.807 797 2HD PRO 104 HD3 PRO 104 9.453 -15.155 5.867 798 H ILE 105 H ILE 105 6.780 -11.794 8.190 799 HA ILE 105 HA ILE 105 6.864 -9.311 6.599 800 HB ILE 105 HB ILE 105 4.781 -10.405 8.500 801 1HG1 ILE 105 HG12 ILE 105 4.815 -11.674 6.480 802 2HG1 ILE 105 HG13 ILE 105 3.427 -10.585 6.422 803 1HG2 ILE 105 HG23 ILE 105 4.805 -7.828 6.890 804 2HG2 ILE 105 HG21 ILE 105 3.329 -8.557 7.546 805 3HG2 ILE 105 HG22 ILE 105 4.599 -8.011 8.639 806 1HD1 ILE 105 HD12 ILE 105 5.074 -9.023 5.013 807 2HD1 ILE 105 HD13 ILE 105 5.974 -10.537 4.801 808 3HD1 ILE 105 HD11 ILE 105 4.292 -10.421 4.254 809 H VAL 106 H VAL 106 7.539 -7.412 7.243 810 HA VAL 106 HA VAL 106 8.488 -7.076 10.033 811 HB VAL 106 HB VAL 106 8.806 -5.410 7.489 812 1HG1 VAL 106 HG11 VAL 106 10.006 -5.006 10.274 813 2HG1 VAL 106 HG12 VAL 106 10.473 -4.115 8.812 814 3HG1 VAL 106 HG13 VAL 106 8.853 -3.914 9.484 815 1HG2 VAL 106 HG22 VAL 106 10.763 -7.138 9.053 816 2HG2 VAL 106 HG23 VAL 106 10.086 -7.511 7.456 817 3HG2 VAL 106 HG21 VAL 106 11.157 -6.121 7.653 818 H ALA 107 H ALA 107 6.881 -4.832 7.823 819 HA ALA 107 HA ALA 107 4.855 -4.170 9.937 820 1HB ALA 107 HB1 ALA 107 5.912 -2.395 7.689 821 2HB ALA 107 HB2 ALA 107 4.598 -1.984 8.812 822 3HB ALA 107 HB3 ALA 107 6.248 -2.198 9.420 823 H GLY 108 H GLY 108 2.606 -3.729 8.976 824 1HA GLY 108 HA2 GLY 108 2.104 -4.159 6.313 825 2HA GLY 108 HA3 GLY 108 2.018 -5.786 7.066 826 H THR 109 H THR 109 -0.199 -5.180 5.959 827 HA THR 109 HA THR 109 -2.117 -4.460 8.166 828 HB THR 109 HB THR 109 -3.560 -3.725 6.131 829 HG1 THR 109 HG1 THR 109 -0.972 -3.619 4.976 830 1HG2 THR 109 HG21 THR 109 -1.107 -2.170 6.966 831 2HG2 THR 109 HG22 THR 109 -2.504 -1.476 6.097 832 3HG2 THR 109 HG23 THR 109 -2.697 -2.132 7.740 833 H GLY 110 H GLY 110 -3.730 -5.901 8.462 834 1HA GLY 110 HA2 GLY 110 -3.660 -8.489 7.072 835 2HA GLY 110 HA3 GLY 110 -4.718 -7.980 8.381 836 H PHE 111 H PHE 111 -6.914 -8.008 7.472 837 HA PHE 111 HA PHE 111 -7.242 -6.925 4.695 838 1HB PHE 111 HB2 PHE 111 -9.216 -8.781 5.970 839 2HB PHE 111 HB3 PHE 111 -9.045 -8.321 4.298 840 HD1 PHE 111 HD2 PHE 111 -6.260 -8.741 3.614 841 HD2 PHE 111 HD1 PHE 111 -8.873 -11.155 6.049 842 HE1 PHE 111 HE2 PHE 111 -4.923 -10.758 3.061 843 HE2 PHE 111 HE1 PHE 111 -7.556 -13.168 5.457 844 HZ PHE 111 HZ PHE 111 -5.591 -12.974 3.936 845 H SER 112 H SER 112 -9.147 -5.681 4.264 846 HA SER 112 HA SER 112 -9.597 -3.817 6.438 847 1HB SER 112 HB2 SER 112 -10.457 -2.470 4.432 848 2HB SER 112 HB3 SER 112 -8.807 -3.059 4.269 849 HG SER 112 HG SER 112 -10.204 -3.485 2.430 850 HA PRO 113 HA PRO 113 -13.913 -4.949 7.012 851 1HB PRO 113 HB2 PRO 113 -15.010 -2.609 7.859 852 2HB PRO 113 HB3 PRO 113 -13.847 -3.530 8.854 853 1HG PRO 113 HG2 PRO 113 -13.273 -1.126 7.104 854 2HG PRO 113 HG3 PRO 113 -12.747 -1.418 8.781 855 1HD PRO 113 HD2 PRO 113 -11.195 -1.946 6.569 856 2HD PRO 113 HD3 PRO 113 -11.073 -2.924 8.072 857 H VAL 114 H VAL 114 -14.443 -5.441 4.901 858 HA VAL 114 HA VAL 114 -14.556 -4.086 2.633 859 HB VAL 114 HB VAL 114 -16.578 -6.051 3.777 860 1HG1 VAL 114 HG13 VAL 114 -16.517 -5.012 0.922 861 2HG1 VAL 114 HG11 VAL 114 -17.363 -6.482 1.448 862 3HG1 VAL 114 HG12 VAL 114 -17.866 -4.909 2.068 863 1HG2 VAL 114 HG22 VAL 114 -14.258 -6.858 3.374 864 2HG2 VAL 114 HG23 VAL 114 -15.409 -7.634 2.281 865 3HG2 VAL 114 HG21 VAL 114 -14.365 -6.325 1.686 866 HA PRO 115 HA PRO 115 -16.932 -0.511 3.584 867 1HB PRO 115 HB2 PRO 115 -17.153 0.640 1.093 868 2HB PRO 115 HB3 PRO 115 -15.612 0.579 2.012 869 1HG PRO 115 HG2 PRO 115 -16.607 -1.321 -0.120 870 2HG PRO 115 HG3 PRO 115 -15.030 -0.498 -0.063 871 1HD PRO 115 HD2 PRO 115 -15.270 -3.015 0.819 872 2HD PRO 115 HD3 PRO 115 -14.302 -1.856 1.782 873 H LYS 116 H LYS 116 -18.912 0.508 3.263 874 HA LYS 116 HA LYS 116 -21.082 -1.046 1.935 875 1HB LYS 116 HB2 LYS 116 -21.332 0.849 4.301 876 2HB LYS 116 HB3 LYS 116 -22.595 -0.172 3.621 877 1HG LYS 116 HG2 LYS 116 -20.110 -1.063 5.156 878 2HG LYS 116 HG3 LYS 116 -21.775 -1.107 5.720 879 1HD LYS 116 HD2 LYS 116 -20.592 -2.804 3.468 880 2HD LYS 116 HD3 LYS 116 -20.964 -3.329 5.107 881 1HE LYS 116 HE2 LYS 116 -23.388 -2.801 4.715 882 2HE LYS 116 HE3 LYS 116 -23.001 -2.396 3.030 883 1HZ LYS 116 HZ3 LYS 116 -22.196 -4.621 2.744 884 2HZ LYS 116 HZ1 LYS 116 -22.571 -5.001 4.303 885 3HZ LYS 116 HZ2 LYS 116 -23.769 -4.624 3.235 886 H ASP 117 H ASP 117 -22.908 0.666 1.488 887 HA ASP 117 HA ASP 117 -22.358 2.050 -0.707 888 1HB ASP 117 HB2 ASP 117 -24.634 1.789 0.104 889 2HB ASP 117 HB3 ASP 117 -24.321 2.913 1.448 890 HD1 ASP 117 HD ASP 117 -24.244 4.696 -2.143 891 H GLY 118 H GLY 118 -20.595 3.325 -1.051 892 1HA GLY 118 HA2 GLY 118 -19.623 5.378 -1.325 893 2HA GLY 118 HA3 GLY 118 -20.768 6.083 -0.185 894 H LYS 119 H LYS 119 -19.436 3.576 1.555 895 HA LYS 119 HA LYS 119 -17.679 5.446 2.987 896 1HB LYS 119 HB2 LYS 119 -18.456 2.581 3.676 897 2HB LYS 119 HB3 LYS 119 -17.642 3.752 4.729 898 1HG LYS 119 HG2 LYS 119 -19.663 5.251 4.517 899 2HG LYS 119 HG3 LYS 119 -20.488 3.943 3.644 900 1HD LYS 119 HD2 LYS 119 -20.032 2.430 5.631 901 2HD LYS 119 HD3 LYS 119 -19.421 3.838 6.506 902 1HE LYS 119 HE2 LYS 119 -22.242 3.522 5.359 903 2HE LYS 119 HE3 LYS 119 -21.790 3.348 7.062 904 1HZ LYS 119 HZ2 LYS 119 -21.096 5.639 7.045 905 2HZ LYS 119 HZ3 LYS 119 -21.548 5.800 5.468 906 3HZ LYS 119 HZ1 LYS 119 -22.682 5.495 6.622 907 H PHE 120 H PHE 120 -15.469 4.796 3.568 908 HA PHE 120 HA PHE 120 -14.187 2.916 1.630 909 1HB PHE 120 HB2 PHE 120 -13.875 5.875 1.948 910 2HB PHE 120 HB3 PHE 120 -12.415 4.983 1.604 911 HD1 PHE 120 HD1 PHE 120 -15.889 5.544 0.307 912 HD2 PHE 120 HD2 PHE 120 -11.952 4.075 -0.542 913 HE1 PHE 120 HE1 PHE 120 -16.615 4.946 -1.972 914 HE2 PHE 120 HE2 PHE 120 -12.653 3.505 -2.842 915 HZ PHE 120 HZ PHE 120 -14.989 3.954 -3.559 916 H GLY 121 H GLY 121 -13.680 1.420 3.247 917 1HA GLY 121 HA2 GLY 121 -12.370 1.710 5.641 918 2HA GLY 121 HA3 GLY 121 -12.144 0.370 4.524 919 H TYR 122 H TYR 122 -10.529 2.775 6.194 920 HA TYR 122 HA TYR 122 -8.167 2.483 4.465 921 1HB TYR 122 HB2 TYR 122 -7.539 4.786 4.727 922 2HB TYR 122 HB3 TYR 122 -9.185 4.769 4.127 923 HD1 TYR 122 HD2 TYR 122 -11.034 5.097 5.994 924 HD2 TYR 122 HD1 TYR 122 -6.869 5.984 6.598 925 HE1 TYR 122 HE2 TYR 122 -11.627 6.632 7.870 926 HE2 TYR 122 HE1 TYR 122 -7.449 7.492 8.456 927 HH TYR 122 HH TYR 122 -9.153 8.442 9.691 928 H THR 123 H THR 123 -6.165 2.730 5.497 929 HA THR 123 HA THR 123 -6.083 2.667 8.425 930 HB THR 123 HB THR 123 -5.435 0.236 6.688 931 HG1 THR 123 HG1 THR 123 -6.642 0.818 9.133 932 1HG2 THR 123 HG22 THR 123 -4.151 0.879 9.367 933 2HG2 THR 123 HG23 THR 123 -4.323 -0.754 8.679 934 3HG2 THR 123 HG21 THR 123 -3.318 0.466 7.849 935 H ASP 124 H ASP 124 -4.590 4.007 8.994 936 HA ASP 124 HA ASP 124 -2.202 4.598 7.278 937 1HB ASP 124 HB2 ASP 124 -3.646 6.062 9.534 938 2HB ASP 124 HB3 ASP 124 -1.920 6.306 9.274 939 HD1 ASP 124 HD ASP 124 -2.204 7.620 6.094 940 H PHE 125 H PHE 125 -1.100 2.606 7.712 941 HA PHE 125 HA PHE 125 -0.706 1.964 10.586 942 1HB PHE 125 HB2 PHE 125 0.274 -0.030 10.009 943 2HB PHE 125 HB3 PHE 125 -1.275 0.166 9.213 944 HD1 PHE 125 HD2 PHE 125 -1.190 0.779 6.615 945 HD2 PHE 125 HD1 PHE 125 2.221 -0.643 8.857 946 HE1 PHE 125 HE2 PHE 125 -0.260 -0.236 4.570 947 HE2 PHE 125 HE1 PHE 125 3.176 -1.592 6.777 948 HZ PHE 125 HZ PHE 125 1.931 -1.419 4.649 949 H THR 126 H THR 126 0.965 2.738 11.583 950 HA THR 126 HA THR 126 2.904 4.384 10.213 951 HB THR 126 HB THR 126 2.685 3.756 13.171 952 HG1 THR 126 HG1 THR 126 1.357 5.584 13.187 953 1HG2 THR 126 HG22 THR 126 3.908 6.101 11.641 954 2HG2 THR 126 HG23 THR 126 3.719 6.028 13.403 955 3HG2 THR 126 HG21 THR 126 4.807 4.895 12.586 956 H TRP 127 H TRP 127 5.144 4.039 9.981 957 HA TRP 127 HA TRP 127 6.458 1.826 11.369 958 1HB TRP 127 HB2 TRP 127 5.554 0.710 9.381 959 2HB TRP 127 HB3 TRP 127 6.156 1.992 8.342 960 HD1 TRP 127 HD1 TRP 127 8.080 -0.121 10.940 961 HE1 TRP 127 HE1 TRP 127 10.051 -1.283 9.799 962 HE3 TRP 127 HE3 TRP 127 7.210 1.376 6.153 963 HZ2 TRP 127 HZ2 TRP 127 11.067 -1.596 7.076 964 HZ3 TRP 127 HZ3 TRP 127 8.729 0.697 4.317 965 HH2 TRP 127 HH2 TRP 127 10.558 -0.863 4.730 966 H HIS 128 H HIS 128 8.783 1.970 11.195 967 HA HIS 128 HA HIS 128 9.882 4.564 10.237 968 1HB HIS 128 HB2 HIS 128 10.456 3.132 12.839 969 2HB HIS 128 HB3 HIS 128 11.503 4.366 12.129 970 HD1 HIS 128 HD1 HIS 128 8.253 4.081 14.059 971 HD2 HIS 128 HD2 HIS 128 10.359 6.867 11.698 972 HE1 HIS 128 HE1 HIS 128 7.101 6.354 14.395 973 HE2 HIS 128 HE2 HIS 128 8.383 8.035 12.929 974 HA PRO 129 HA PRO 129 11.900 1.061 8.170 975 1HB PRO 129 HB2 PRO 129 12.485 2.179 5.836 976 2HB PRO 129 HB3 PRO 129 10.789 2.015 6.353 977 1HG PRO 129 HG2 PRO 129 12.513 4.498 6.572 978 2HG PRO 129 HG3 PRO 129 10.874 4.350 5.894 979 1HD PRO 129 HD2 PRO 129 11.418 5.057 8.517 980 2HD PRO 129 HD3 PRO 129 9.899 4.229 8.019 981 H THR 130 H THR 130 14.128 0.387 8.029 982 HA THR 130 HA THR 130 16.244 2.360 8.677 983 HB THR 130 HB THR 130 17.578 0.200 8.926 984 HG1 THR 130 HG1 THR 130 16.314 -1.674 9.108 985 1HG2 THR 130 HG23 THR 130 16.605 1.406 10.879 986 2HG2 THR 130 HG21 THR 130 15.093 0.494 10.685 987 3HG2 THR 130 HG22 THR 130 16.592 -0.349 11.119 988 H ALA 131 H ALA 131 18.211 2.356 7.368 989 HA ALA 131 HA ALA 131 17.583 2.655 4.645 990 1HB ALA 131 HB1 ALA 131 19.388 3.889 5.789 991 2HB ALA 131 HB2 ALA 131 20.348 2.394 5.866 992 3HB ALA 131 HB3 ALA 131 19.934 3.120 4.292 993 H GLY 132 H GLY 132 18.207 1.565 2.781 994 1HA GLY 132 HA2 GLY 132 19.437 -0.309 1.760 995 2HA GLY 132 HA3 GLY 132 18.721 -1.377 3.004 996 H THR 133 H THR 133 16.954 -2.492 2.075 997 HA THR 133 HA THR 133 15.015 -0.970 0.544 998 HB THR 133 HB THR 133 16.510 -3.282 -0.769 999 HG1 THR 133 HG1 THR 133 16.884 -0.547 -0.793 1000 1HG2 THR 133 HG23 THR 133 14.332 -1.425 -1.837 1001 2HG2 THR 133 HG21 THR 133 15.280 -2.560 -2.815 1002 3HG2 THR 133 HG22 THR 133 14.191 -3.177 -1.567 1003 H TYR 134 H TYR 134 13.034 -1.874 0.539 1004 HA TYR 134 HA TYR 134 12.623 -4.615 1.606 1005 1HB TYR 134 HB2 TYR 134 11.098 -2.094 2.373 1006 2HB TYR 134 HB3 TYR 134 10.590 -3.709 2.782 1007 HD1 TYR 134 HD1 TYR 134 12.975 -1.005 3.486 1008 HD2 TYR 134 HD2 TYR 134 11.723 -4.991 4.544 1009 HE1 TYR 134 HE1 TYR 134 13.917 -0.709 5.741 1010 HE2 TYR 134 HE2 TYR 134 12.885 -4.771 6.721 1011 HH TYR 134 HH TYR 134 14.644 -1.856 7.708 1012 H TYR 135 H TYR 135 10.202 -5.164 1.098 1013 HA TYR 135 HA TYR 135 9.304 -4.011 -1.461 1014 1HB TYR 135 HB2 TYR 135 9.721 -6.970 -0.866 1015 2HB TYR 135 HB3 TYR 135 8.656 -6.378 -2.130 1016 HD1 TYR 135 HD2 TYR 135 12.235 -6.366 -1.010 1017 HD2 TYR 135 HD1 TYR 135 9.467 -5.940 -4.287 1018 HE1 TYR 135 HE2 TYR 135 14.085 -6.687 -2.607 1019 HE2 TYR 135 HE1 TYR 135 11.313 -6.353 -5.890 1020 HH TYR 135 HH TYR 135 14.678 -6.901 -4.823 1021 H TYR 136 H TYR 136 7.026 -4.104 -1.670 1022 HA TYR 136 HA TYR 136 5.547 -4.950 0.789 1023 1HB TYR 136 HB2 TYR 136 3.840 -3.380 0.221 1024 2HB TYR 136 HB3 TYR 136 5.379 -2.582 0.514 1025 HD1 TYR 136 HD2 TYR 136 6.643 -1.534 -1.365 1026 HD2 TYR 136 HD1 TYR 136 2.700 -3.167 -1.888 1027 HE1 TYR 136 HE2 TYR 136 6.340 -0.140 -3.386 1028 HE2 TYR 136 HE1 TYR 136 2.405 -1.768 -3.936 1029 HH TYR 136 HH TYR 136 4.978 0.284 -5.213 1030 H VAL 137 H VAL 137 3.784 -6.328 0.520 1031 HA VAL 137 HA VAL 137 3.023 -7.180 -2.226 1032 HB VAL 137 HB VAL 137 3.265 -9.524 -1.619 1033 1HG1 VAL 137 HG12 VAL 137 5.181 -8.452 -2.729 1034 2HG1 VAL 137 HG13 VAL 137 5.908 -8.088 -1.143 1035 3HG1 VAL 137 HG11 VAL 137 5.661 -9.763 -1.641 1036 1HG2 VAL 137 HG22 VAL 137 2.992 -9.396 0.850 1037 2HG2 VAL 137 HG23 VAL 137 4.458 -10.268 0.395 1038 3HG2 VAL 137 HG21 VAL 137 4.576 -8.600 0.975 1039 H CYS 138 H CYS 138 1.117 -8.579 -2.217 1040 HA CYS 138 HA CYS 138 -0.756 -8.242 0.086 1041 1HB CYS 138 HB2 CYS 138 -1.567 -6.973 -1.821 1042 2HB CYS 138 HB3 CYS 138 -1.212 -8.316 -2.912 1043 H GLN 139 H GLN 139 -1.688 -10.039 0.881 1044 HA GLN 139 HA GLN 139 -0.449 -12.572 0.500 1045 1HB GLN 139 HB2 GLN 139 -3.037 -11.704 1.822 1046 2HB GLN 139 HB3 GLN 139 -2.382 -13.331 1.978 1047 1HG GLN 139 HG2 GLN 139 -0.483 -12.558 3.156 1048 2HG GLN 139 HG3 GLN 139 -0.804 -10.857 2.756 1049 1HE2 GLN 139 HE22 GLN 139 -2.310 -10.587 5.942 1050 2HE2 GLN 139 HE21 GLN 139 -0.993 -10.092 4.873 1051 H ILE 140 H ILE 140 -3.673 -11.438 -0.437 1052 HA ILE 140 HA ILE 140 -4.960 -13.685 -1.002 1053 HB ILE 140 HB ILE 140 -5.129 -11.152 -2.603 1054 1HG1 ILE 140 HG12 ILE 140 -6.698 -12.213 -0.203 1055 2HG1 ILE 140 HG13 ILE 140 -5.495 -10.922 -0.144 1056 1HG2 ILE 140 HG23 ILE 140 -6.223 -13.050 -3.838 1057 2HG2 ILE 140 HG21 ILE 140 -7.182 -13.402 -2.385 1058 3HG2 ILE 140 HG22 ILE 140 -7.397 -11.879 -3.261 1059 1HD1 ILE 140 HD12 ILE 140 -6.912 -9.574 -1.709 1060 2HD1 ILE 140 HD13 ILE 140 -8.203 -10.786 -1.482 1061 3HD1 ILE 140 HD11 ILE 140 -7.575 -9.891 -0.095 1062 HA PRO 141 HA PRO 141 -2.580 -16.245 -3.597 1063 1HB PRO 141 HB2 PRO 141 -5.316 -16.774 -4.786 1064 2HB PRO 141 HB3 PRO 141 -3.965 -17.937 -4.594 1065 1HG PRO 141 HG2 PRO 141 -5.845 -17.781 -2.653 1066 2HG PRO 141 HG3 PRO 141 -4.116 -17.817 -2.198 1067 1HD PRO 141 HD2 PRO 141 -5.988 -15.476 -2.239 1068 2HD PRO 141 HD3 PRO 141 -4.617 -15.839 -1.143 1069 H GLY 142 H GLY 142 -1.236 -15.617 -5.134 1070 1HA GLY 142 HA2 GLY 142 -0.550 -15.264 -7.321 1071 2HA GLY 142 HA3 GLY 142 -2.212 -14.964 -7.819 1072 H HIS 143 H HIS 143 -2.407 -12.848 -5.499 1073 HA HIS 143 HA HIS 143 -2.123 -10.666 -7.234 1074 1HB HIS 143 HB2 HIS 143 -2.236 -10.734 -4.198 1075 2HB HIS 143 HB3 HIS 143 -2.289 -9.270 -5.173 1076 HD2 HIS 143 HD2 HIS 143 -4.303 -12.065 -6.777 1077 HE1 HIS 143 HE1 HIS 143 -7.114 -9.593 -4.780 1078 HE2 HIS 143 HE2 HIS 143 -6.813 -11.509 -6.428 1079 H ALA 144 H ALA 144 0.059 -11.366 -4.443 1080 HA ALA 144 HA ALA 144 2.019 -9.457 -4.925 1081 1HB ALA 144 HB3 ALA 144 1.992 -10.946 -2.956 1082 2HB ALA 144 HB1 ALA 144 2.480 -12.319 -3.968 1083 3HB ALA 144 HB2 ALA 144 3.572 -10.938 -3.759 1084 H ALA 145 H ALA 145 2.013 -12.825 -6.138 1085 HA ALA 145 HA ALA 145 4.385 -12.737 -7.595 1086 1HB ALA 145 HB1 ALA 145 3.132 -14.803 -7.015 1087 2HB ALA 145 HB2 ALA 145 1.880 -14.378 -8.198 1088 3HB ALA 145 HB3 ALA 145 3.536 -14.739 -8.736 1089 H THR 146 H THR 146 1.065 -12.035 -8.771 1090 HA THR 146 HA THR 146 2.032 -11.703 -11.491 1091 HB THR 146 HB THR 146 -0.308 -11.061 -11.990 1092 HG1 THR 146 HG1 THR 146 -0.743 -11.675 -9.251 1093 1HG2 THR 146 HG23 THR 146 0.056 -13.639 -10.384 1094 2HG2 THR 146 HG21 THR 146 -1.258 -13.292 -11.527 1095 3HG2 THR 146 HG22 THR 146 0.414 -13.412 -12.107 1096 H GLY 147 H GLY 147 1.196 -9.354 -8.876 1097 1HA GLY 147 HA2 GLY 147 2.670 -7.300 -10.277 1098 2HA GLY 147 HA3 GLY 147 0.952 -7.150 -10.666 1099 H MET 148 H MET 148 0.448 -8.131 -7.672 1100 HA MET 148 HA MET 148 0.103 -5.393 -6.822 1101 1HB MET 148 HB3 MET 148 -1.486 -7.335 -6.546 1102 2HB MET 148 HB2 MET 148 -0.480 -7.940 -5.224 1103 1HG MET 148 HG3 MET 148 -1.177 -6.078 -3.886 1104 2HG MET 148 HG2 MET 148 -1.455 -5.108 -5.325 1105 1HE MET 148 HE1 MET 148 -3.444 -4.157 -5.507 1106 2HE MET 148 HE2 MET 148 -4.976 -4.680 -4.753 1107 3HE MET 148 HE3 MET 148 -3.565 -4.343 -3.728 1108 H PHE 149 H PHE 149 2.685 -5.201 -6.915 1109 HA PHE 149 HA PHE 149 3.628 -5.222 -4.194 1110 1HB PHE 149 HB2 PHE 149 5.410 -6.781 -4.378 1111 2HB PHE 149 HB3 PHE 149 4.035 -7.619 -5.059 1112 HD1 PHE 149 HD2 PHE 149 3.833 -7.510 -7.707 1113 HD2 PHE 149 HD1 PHE 149 7.422 -6.491 -5.561 1114 HE1 PHE 149 HE2 PHE 149 5.178 -7.998 -9.730 1115 HE2 PHE 149 HE1 PHE 149 8.759 -6.892 -7.606 1116 HZ PHE 149 HZ PHE 149 7.643 -7.671 -9.691 1117 H GLY 150 H GLY 150 5.961 -4.353 -4.059 1118 1HA GLY 150 HA2 GLY 150 7.249 -3.093 -6.319 1119 2HA GLY 150 HA3 GLY 150 6.259 -1.931 -5.439 1120 H LYS 151 H LYS 151 8.906 -1.552 -5.506 1121 HA LYS 151 HA LYS 151 10.211 -2.751 -3.132 1122 1HB LYS 151 HB2 LYS 151 11.127 -1.192 -5.547 1123 2HB LYS 151 HB3 LYS 151 12.171 -1.349 -4.120 1124 1HG LYS 151 HG2 LYS 151 12.067 -3.754 -4.242 1125 2HG LYS 151 HG3 LYS 151 10.974 -3.696 -5.643 1126 1HD LYS 151 HD2 LYS 151 13.821 -2.574 -5.582 1127 2HD LYS 151 HD3 LYS 151 13.381 -4.173 -6.201 1128 1HE LYS 151 HE2 LYS 151 11.865 -3.094 -7.881 1129 2HE LYS 151 HE3 LYS 151 12.422 -1.504 -7.336 1130 1HZ LYS 151 HZ2 LYS 151 14.124 -3.601 -8.466 1131 2HZ LYS 151 HZ3 LYS 151 13.612 -2.236 -9.235 1132 3HZ LYS 151 HZ1 LYS 151 14.634 -2.121 -7.948 1133 H ILE 152 H ILE 152 11.102 -1.499 -1.530 1134 HA ILE 152 HA ILE 152 10.354 1.382 -1.313 1135 HB ILE 152 HB ILE 152 10.545 -0.637 0.956 1136 1HG1 ILE 152 HG12 ILE 152 8.080 0.384 -0.469 1137 2HG1 ILE 152 HG13 ILE 152 8.615 -1.294 -0.186 1138 1HG2 ILE 152 HG21 ILE 152 11.089 1.835 1.364 1139 2HG2 ILE 152 HG22 ILE 152 9.400 2.162 0.924 1140 3HG2 ILE 152 HG23 ILE 152 9.800 1.170 2.355 1141 1HD1 ILE 152 HD12 ILE 152 8.319 -0.933 2.268 1142 2HD1 ILE 152 HD13 ILE 152 7.573 0.643 1.908 1143 3HD1 ILE 152 HD11 ILE 152 6.817 -0.844 1.327 1144 H VAL 153 H VAL 153 12.418 2.062 -2.057 1145 HA VAL 153 HA VAL 153 14.863 0.878 -0.892 1146 HB VAL 153 HB VAL 153 14.635 3.421 -2.488 1147 1HG1 VAL 153 HG13 VAL 153 16.892 1.386 -2.006 1148 2HG1 VAL 153 HG11 VAL 153 17.021 2.788 -3.082 1149 3HG1 VAL 153 HG12 VAL 153 16.799 3.017 -1.341 1150 1HG2 VAL 153 HG21 VAL 153 14.951 0.573 -3.574 1151 2HG2 VAL 153 HG22 VAL 153 13.606 1.685 -3.915 1152 3HG2 VAL 153 HG23 VAL 153 15.222 2.046 -4.526 1153 H VAL 154 H VAL 154 15.930 1.858 0.850 1154 HA VAL 154 HA VAL 154 14.682 4.316 2.000 1155 HB VAL 154 HB VAL 154 15.645 1.865 3.497 1156 1HG1 VAL 154 HG13 VAL 154 15.803 4.041 4.699 1157 2HG1 VAL 154 HG11 VAL 154 14.100 4.368 4.342 1158 3HG1 VAL 154 HG12 VAL 154 14.545 3.031 5.413 1159 1HG2 VAL 154 HG23 VAL 154 12.790 2.776 2.936 1160 2HG2 VAL 154 HG21 VAL 154 13.562 1.319 2.265 1161 3HG2 VAL 154 HG22 VAL 154 13.288 1.425 3.989 1162 H LYS 155 H LYS 155 16.242 5.918 2.316 1163 HA LYS 155 HA LYS 155 19.117 5.031 2.503 1164 1HB LYS 155 HB2 LYS 155 18.170 7.437 0.923 1165 2HB LYS 155 HB3 LYS 155 19.791 6.715 0.999 1166 1HG LYS 155 HG2 LYS 155 18.844 4.657 -0.143 1167 2HG LYS 155 HG3 LYS 155 17.306 5.532 -0.315 1168 1HD LYS 155 HD2 LYS 155 18.570 7.376 -1.523 1169 2HD LYS 155 HD3 LYS 155 20.020 6.368 -1.443 1170 1HE LYS 155 HE2 LYS 155 19.017 6.138 -3.630 1171 2HE LYS 155 HE3 LYS 155 18.835 4.598 -2.773 1172 1HZ LYS 155 HZ1 LYS 155 16.765 6.680 -2.959 1173 2HZ LYS 155 HZ2 LYS 155 16.845 5.373 -3.951 1174 3HZ LYS 155 HZ3 LYS 155 16.578 5.165 -2.333 No H/Q in entry = 1174
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