NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
607298 | 5lci | 34013 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA PRO 31 HA PRO 31 -0.007 12.988 6.497 2 HB2 PRO 31 2HB PRO 31 1.604 11.044 8.171 3 HB3 PRO 31 3HB PRO 31 2.192 12.417 7.178 4 HG2 PRO 31 2HG PRO 31 1.974 12.718 9.849 5 HG3 PRO 31 3HG PRO 31 1.372 14.017 8.765 6 HD2 PRO 31 2HD PRO 31 -0.207 11.835 10.147 7 HD3 PRO 31 3HD PRO 31 -0.582 13.582 10.022 8 H VAL 32 H VAL 32 0.223 11.662 4.699 9 HA VAL 32 HA VAL 32 -1.938 9.874 4.468 10 HB VAL 32 HB VAL 32 -1.375 9.441 2.222 11 HG11 VAL 32 1HG1 VAL 32 -2.215 11.672 2.703 12 HG12 VAL 32 2HG1 VAL 32 -0.568 12.282 2.917 13 HG13 VAL 32 3HG1 VAL 32 -1.097 11.699 1.324 14 HG21 VAL 32 1HG2 VAL 32 0.801 10.208 1.206 15 HG22 VAL 32 2HG2 VAL 32 1.442 10.364 2.853 16 HG23 VAL 32 3HG2 VAL 32 0.894 8.777 2.231 17 H GLU 33 H GLU 33 1.218 9.083 5.548 18 HA GLU 33 HA GLU 33 1.135 6.276 4.783 19 HB2 GLU 33 2HB GLU 33 3.304 6.172 5.598 20 HB3 GLU 33 3HB GLU 33 3.114 7.815 4.984 21 HG2 GLU 33 2HG GLU 33 2.638 8.454 7.465 22 HG3 GLU 33 3HG GLU 33 3.343 6.840 7.738 23 H ALA 34 H ALA 34 0.484 8.179 7.686 24 HA ALA 34 HA ALA 34 -0.315 5.933 9.379 25 HB1 ALA 34 1HB ALA 34 -0.915 8.904 9.624 26 HB2 ALA 34 2HB ALA 34 -0.955 7.658 10.899 27 HB3 ALA 34 3HB ALA 34 0.584 8.136 10.187 28 H ALA 35 H ALA 35 -1.953 8.234 7.177 29 HA ALA 35 HA ALA 35 -4.621 7.310 7.717 30 HB1 ALA 35 1HB ALA 35 -5.237 8.559 5.743 31 HB2 ALA 35 2HB ALA 35 -4.038 9.497 6.654 32 HB3 ALA 35 3HB ALA 35 -3.557 8.612 5.184 33 H ILE 36 H ILE 36 -2.354 6.394 5.001 34 HA ILE 36 HA ILE 36 -4.115 4.408 3.959 35 HB ILE 36 HB ILE 36 -2.198 5.519 2.824 36 HG12 ILE 36 2HG1 ILE 36 -2.429 2.524 2.495 37 HG13 ILE 36 3HG1 ILE 36 -3.428 3.770 1.722 38 HG21 ILE 36 1HG2 ILE 36 -0.500 4.937 4.597 39 HG22 ILE 36 2HG2 ILE 36 -0.436 3.301 3.919 40 HG23 ILE 36 3HG2 ILE 36 0.026 4.725 2.947 41 HD11 ILE 36 1HD1 ILE 36 -1.208 4.670 0.714 42 HD12 ILE 36 2HD1 ILE 36 -0.505 3.115 1.244 43 HD13 ILE 36 3HD1 ILE 36 -1.838 3.127 0.075 44 H ARG 37 H ARG 37 -1.422 4.106 6.320 45 HA ARG 37 HA ARG 37 -1.632 1.332 7.002 46 HB2 ARG 37 2HB ARG 37 -0.017 2.956 7.864 47 HB3 ARG 37 3HB ARG 37 -1.264 3.692 8.875 48 HG2 ARG 37 2HG ARG 37 -0.445 0.758 8.970 49 HG3 ARG 37 3HG ARG 37 0.317 2.037 9.899 50 HD2 ARG 37 2HD ARG 37 -2.600 1.301 10.188 51 HD3 ARG 37 3HD ARG 37 -1.276 0.690 11.140 52 HE ARG 37 HE ARG 37 -0.937 3.371 11.492 53 HH11 ARG 37 1HH1 ARG 37 -3.729 1.253 12.028 54 HH12 ARG 37 2HH1 ARG 37 -4.382 2.413 13.191 55 HH21 ARG 37 1HH2 ARG 37 -1.753 4.496 13.230 56 HH22 ARG 37 2HH2 ARG 37 -3.341 4.032 13.857 57 H THR 38 H THR 38 -3.499 3.918 8.576 58 HA THR 38 HA THR 38 -5.310 2.232 9.918 59 HB THR 38 HB THR 38 -5.911 5.029 8.883 60 HG1 THR 38 1HG THR 38 -4.071 5.194 9.997 61 HG21 THR 38 1HG2 THR 38 -6.898 3.531 11.351 62 HG22 THR 38 2HG2 THR 38 -7.882 3.895 9.910 63 HG23 THR 38 3HG2 THR 38 -7.276 5.210 10.919 64 H LYS 39 H LYS 39 -5.867 3.776 6.711 65 HA LYS 39 HA LYS 39 -8.450 2.697 6.241 66 HB2 LYS 39 2HB LYS 39 -7.485 4.625 5.037 67 HB3 LYS 39 3HB LYS 39 -6.267 3.585 4.307 68 HG2 LYS 39 2HG LYS 39 -7.985 4.111 2.704 69 HG3 LYS 39 3HG LYS 39 -7.986 2.389 3.022 70 HD2 LYS 39 2HD LYS 39 -9.892 3.771 4.798 71 HD3 LYS 39 3HD LYS 39 -10.160 4.219 3.116 72 HE2 LYS 39 2HE LYS 39 -10.208 1.778 2.498 73 HE3 LYS 39 3HE LYS 39 -10.073 1.377 4.220 74 HZ1 LYS 39 1HZ LYS 39 -12.270 2.922 2.966 75 HZ2 LYS 39 2HZ LYS 39 -12.156 2.564 4.594 76 HZ3 LYS 39 3HZ LYS 39 -12.370 1.368 3.483 77 H LEU 40 H LEU 40 -5.238 1.361 5.306 78 HA LEU 40 HA LEU 40 -6.377 -0.956 4.014 79 HB2 LEU 40 2HB LEU 40 -3.612 -0.163 4.926 80 HB3 LEU 40 3HB LEU 40 -3.924 -1.782 4.387 81 HG LEU 40 HG LEU 40 -3.003 -0.141 2.667 82 HD11 LEU 40 1HD1 LEU 40 -3.873 -2.359 2.138 83 HD12 LEU 40 2HD1 LEU 40 -4.273 -1.211 0.850 84 HD13 LEU 40 3HD1 LEU 40 -5.524 -1.713 2.008 85 HD21 LEU 40 1HD2 LEU 40 -4.541 1.145 1.293 86 HD22 LEU 40 2HD2 LEU 40 -4.583 1.786 2.922 87 HD23 LEU 40 3HD2 LEU 40 -5.904 0.750 2.351 88 H GLU 41 H GLU 41 -5.362 -0.305 7.368 89 HA GLU 41 HA GLU 41 -5.935 -2.981 8.318 90 HB2 GLU 41 2HB GLU 41 -5.547 -0.293 9.643 91 HB3 GLU 41 3HB GLU 41 -6.051 -1.710 10.560 92 HG2 GLU 41 2HG GLU 41 -4.073 -2.966 9.851 93 HG3 GLU 41 3HG GLU 41 -3.562 -1.648 8.798 94 H GLU 42 H GLU 42 -8.079 -0.203 7.696 95 HA GLU 42 HA GLU 42 -10.417 -1.660 8.700 96 HB2 GLU 42 2HB GLU 42 -10.618 0.629 8.878 97 HB3 GLU 42 3HB GLU 42 -9.790 0.961 7.362 98 HG2 GLU 42 2HG GLU 42 -11.608 0.280 6.057 99 HG3 GLU 42 3HG GLU 42 -12.549 -0.287 7.461 100 H ALA 43 H ALA 43 -8.680 -1.468 5.611 101 HA ALA 43 HA ALA 43 -10.917 -2.544 4.096 102 HB1 ALA 43 1HB ALA 43 -9.426 -0.771 3.241 103 HB2 ALA 43 2HB ALA 43 -8.069 -1.933 3.258 104 HB3 ALA 43 3HB ALA 43 -9.448 -2.192 2.185 105 H LEU 44 H LEU 44 -7.643 -3.912 4.900 106 HA LEU 44 HA LEU 44 -8.536 -6.485 3.714 107 HB2 LEU 44 2HB LEU 44 -6.684 -6.790 2.444 108 HB3 LEU 44 3HB LEU 44 -7.621 -5.377 2.014 109 HG LEU 44 HG LEU 44 -5.810 -3.949 3.128 110 HD11 LEU 44 1HD1 LEU 44 -3.547 -4.998 3.223 111 HD12 LEU 44 2HD1 LEU 44 -4.283 -6.600 2.994 112 HD13 LEU 44 3HD1 LEU 44 -4.609 -5.662 4.467 113 HD21 LEU 44 1HD2 LEU 44 -4.417 -4.327 1.040 114 HD22 LEU 44 2HD2 LEU 44 -6.178 -4.289 0.762 115 HD23 LEU 44 3HD2 LEU 44 -5.338 -5.843 0.802 116 H SER 45 H SER 45 -7.779 -5.296 6.491 117 HA SER 45 HA SER 45 -6.900 -6.098 8.488 118 HB2 SER 45 2HB SER 45 -8.043 -8.487 7.100 119 HB3 SER 45 3HB SER 45 -7.572 -8.441 8.816 120 HG SER 45 HG SER 45 -9.853 -7.622 7.969 121 HA PRO 46 HA PRO 46 -2.732 -7.269 6.487 122 HB2 PRO 46 2HB PRO 46 -1.992 -5.212 8.551 123 HB3 PRO 46 3HB PRO 46 -1.229 -5.472 6.984 124 HG2 PRO 46 2HG PRO 46 -2.938 -3.454 7.441 125 HG3 PRO 46 3HG PRO 46 -3.076 -4.373 5.893 126 HD2 PRO 46 2HD PRO 46 -4.740 -4.615 8.404 127 HD3 PRO 46 3HD PRO 46 -5.242 -4.690 6.679 128 H GLU 47 H GLU 47 -1.022 -8.424 7.316 129 HA GLU 47 HA GLU 47 -0.757 -9.091 10.203 130 HB2 GLU 47 2HB GLU 47 -0.266 -10.706 8.310 131 HB3 GLU 47 3HB GLU 47 1.059 -9.652 7.880 132 HG2 GLU 47 2HG GLU 47 1.965 -11.292 9.202 133 HG3 GLU 47 3HG GLU 47 1.982 -9.877 10.201 134 H VAL 48 H VAL 48 0.865 -7.303 7.518 135 HA VAL 48 HA VAL 48 2.609 -5.820 9.448 136 HB VAL 48 HB VAL 48 3.179 -8.391 8.238 137 HG11 VAL 48 1HG1 VAL 48 5.463 -6.514 7.705 138 HG12 VAL 48 2HG1 VAL 48 5.312 -8.269 7.401 139 HG13 VAL 48 3HG1 VAL 48 4.368 -7.135 6.446 140 HG21 VAL 48 1HG2 VAL 48 5.037 -8.456 9.767 141 HG22 VAL 48 2HG2 VAL 48 4.812 -6.742 10.148 142 HG23 VAL 48 3HG2 VAL 48 3.546 -7.928 10.562 143 H LEU 49 H LEU 49 3.850 -4.106 8.499 144 HA LEU 49 HA LEU 49 3.605 -3.705 5.606 145 HB2 LEU 49 2HB LEU 49 2.887 -1.392 7.454 146 HB3 LEU 49 3HB LEU 49 2.889 -1.419 5.708 147 HG LEU 49 HG LEU 49 0.971 -3.258 6.038 148 HD11 LEU 49 1HD1 LEU 49 1.100 -3.250 8.548 149 HD12 LEU 49 2HD1 LEU 49 -0.467 -2.663 7.973 150 HD13 LEU 49 3HD1 LEU 49 0.754 -1.511 8.547 151 HD21 LEU 49 1HD2 LEU 49 -0.686 -1.464 5.880 152 HD22 LEU 49 2HD2 LEU 49 0.703 -1.136 4.837 153 HD23 LEU 49 3HD2 LEU 49 0.533 -0.265 6.376 154 H GLU 50 H GLU 50 5.208 -2.347 4.652 155 HA GLU 50 HA GLU 50 6.967 -0.747 6.365 156 HB2 GLU 50 2HB GLU 50 8.049 -2.651 4.312 157 HB3 GLU 50 3HB GLU 50 8.934 -1.426 5.180 158 HG2 GLU 50 2HG GLU 50 8.368 -2.581 7.322 159 HG3 GLU 50 3HG GLU 50 7.730 -3.938 6.396 160 H LEU 51 H LEU 51 6.949 1.155 5.491 161 HA LEU 51 HA LEU 51 6.424 1.591 2.599 162 HB2 LEU 51 2HB LEU 51 4.281 2.412 2.800 163 HB3 LEU 51 3HB LEU 51 4.272 1.015 3.858 164 HG LEU 51 HG LEU 51 4.511 3.891 4.637 165 HD11 LEU 51 1HD1 LEU 51 2.315 3.754 5.613 166 HD12 LEU 51 2HD1 LEU 51 2.260 1.986 5.378 167 HD13 LEU 51 3HD1 LEU 51 2.198 3.079 3.987 168 HD21 LEU 51 1HD2 LEU 51 5.757 2.675 6.321 169 HD22 LEU 51 2HD2 LEU 51 4.461 1.464 6.467 170 HD23 LEU 51 3HD2 LEU 51 4.216 3.136 7.031 171 H ARG 52 H ARG 52 6.230 3.975 1.978 172 HA ARG 52 HA ARG 52 7.722 5.902 3.628 173 HB2 ARG 52 2HB ARG 52 9.550 4.443 2.912 174 HB3 ARG 52 3HB ARG 52 9.007 4.516 1.231 175 HG2 ARG 52 2HG ARG 52 9.568 6.867 1.079 176 HG3 ARG 52 3HG ARG 52 9.932 6.952 2.816 177 HD2 ARG 52 2HD ARG 52 11.855 5.528 2.548 178 HD3 ARG 52 3HD ARG 52 11.428 5.147 0.876 179 HE ARG 52 HE ARG 52 12.576 7.706 1.888 180 HH11 ARG 52 1HH1 ARG 52 11.340 6.022 -0.961 181 HH12 ARG 52 2HH1 ARG 52 11.900 7.306 -2.010 182 HH21 ARG 52 1HH2 ARG 52 13.115 9.243 0.546 183 HH22 ARG 52 2HH2 ARG 52 12.795 9.113 -1.200 184 H ASN 53 H ASN 53 7.373 8.019 2.923 185 HA ASN 53 HA ASN 53 6.106 8.376 0.290 186 HB2 ASN 53 2HB ASN 53 5.303 10.361 0.950 187 HB3 ASN 53 3HB ASN 53 5.150 9.376 2.389 188 HD21 ASN 53 1HD2 ASN 53 4.835 12.058 2.614 189 HD22 ASN 53 2HD2 ASN 53 6.290 12.892 3.108 190 H GLU 54 H GLU 54 6.981 9.222 -1.445 191 HA GLU 54 HA GLU 54 9.902 9.878 -1.411 192 HB2 GLU 54 2HB GLU 54 8.994 8.064 -2.916 193 HB3 GLU 54 3HB GLU 54 8.043 9.293 -3.744 194 HG2 GLU 54 2HG GLU 54 9.948 8.878 -5.092 195 HG3 GLU 54 3HG GLU 54 10.222 10.448 -4.376 196 H SER 55 H SER 55 6.764 11.302 -1.769 197 HA SER 55 HA SER 55 6.986 13.435 -3.392 198 HB2 SER 55 2HB SER 55 5.105 14.307 -2.151 199 HB3 SER 55 3HB SER 55 5.089 12.520 -2.295 200 HG SER 55 HG SER 55 5.638 14.093 0.001 201 H GLY 56 H GLY 56 8.724 13.404 -0.350 202 HA2 GLY 56 2HA GLY 56 9.202 16.263 -0.175 203 HA3 GLY 56 3HA GLY 56 10.224 14.974 0.482 204 H GLY 57 H GLY 57 10.035 14.034 -2.571 205 HA2 GLY 57 2HA GLY 57 12.382 15.323 -3.696 206 HA3 GLY 57 3HA GLY 57 11.399 14.063 -4.406 207 H HIS 58 H HIS 58 9.139 16.380 -3.627 208 HA HIS 58 HA HIS 58 9.334 17.592 -6.356 209 HB2 HIS 58 2HB HIS 58 6.969 16.289 -4.965 210 HB3 HIS 58 3HB HIS 58 6.845 17.249 -6.435 211 HD1 HIS 58 1HD HIS 58 8.041 16.275 -8.664 212 HD2 HIS 58 2HD HIS 58 7.977 13.761 -5.285 213 HE1 HIS 58 1HE HIS 58 8.687 13.935 -9.478 214 H ALA 59 H ALA 59 8.279 19.505 -6.786 215 HA ALA 59 HA ALA 59 8.379 21.489 -4.668 216 HB1 ALA 59 1HB ALA 59 7.696 21.714 -7.631 217 HB2 ALA 59 2HB ALA 59 8.061 23.059 -6.529 218 HB3 ALA 59 3HB ALA 59 9.319 21.874 -6.917 219 H VAL 60 H VAL 60 6.464 19.801 -3.863 220 HA VAL 60 HA VAL 60 3.793 20.656 -4.765 221 HB VAL 60 HB VAL 60 2.975 18.814 -3.303 222 HG11 VAL 60 1HG1 VAL 60 3.306 18.449 -5.664 223 HG12 VAL 60 2HG1 VAL 60 5.033 18.135 -5.427 224 HG13 VAL 60 3HG1 VAL 60 3.836 17.007 -4.781 225 HG21 VAL 60 1HG2 VAL 60 4.470 17.145 -2.416 226 HG22 VAL 60 2HG2 VAL 60 5.897 18.037 -2.960 227 HG23 VAL 60 3HG2 VAL 60 4.862 18.701 -1.676 228 HA PRO 61 HA PRO 61 3.094 23.592 -1.714 229 HB2 PRO 61 2HB PRO 61 0.391 23.385 -1.113 230 HB3 PRO 61 3HB PRO 61 1.062 24.060 -2.630 231 HG2 PRO 61 2HG PRO 61 0.071 21.248 -2.117 232 HG3 PRO 61 3HG PRO 61 -0.330 22.327 -3.486 233 HD2 PRO 61 2HD PRO 61 1.559 20.430 -3.740 234 HD3 PRO 61 3HD PRO 61 1.827 22.049 -4.448 235 HA PRO 62 HA PRO 62 3.298 22.164 2.509 236 HB2 PRO 62 2HB PRO 62 1.307 24.340 3.190 237 HB3 PRO 62 3HB PRO 62 2.838 23.905 4.017 238 HG2 PRO 62 2HG PRO 62 2.827 26.012 2.345 239 HG3 PRO 62 3HG PRO 62 4.145 24.795 2.202 240 HD2 PRO 62 2HD PRO 62 1.605 24.989 0.548 241 HD3 PRO 62 3HD PRO 62 3.306 24.848 -0.003 242 H GLY 63 H GLY 63 2.290 20.676 3.800 243 HA2 GLY 63 2HA GLY 63 0.654 19.239 4.605 244 HA3 GLY 63 3HA GLY 63 -0.600 20.239 3.868 245 H SER 64 H SER 64 1.709 19.480 1.500 246 HA SER 64 HA SER 64 -0.024 17.383 0.346 247 HB2 SER 64 2HB SER 64 0.734 19.563 -0.831 248 HB3 SER 64 3HB SER 64 2.273 18.712 -1.072 249 HG SER 64 HG SER 64 -0.264 18.282 -2.119 250 H GLU 65 H GLU 65 0.529 15.395 0.125 251 HA GLU 65 HA GLU 65 3.338 14.376 0.241 252 HB2 GLU 65 2HB GLU 65 1.037 13.425 1.954 253 HB3 GLU 65 3HB GLU 65 2.509 12.480 1.659 254 HG2 GLU 65 2HG GLU 65 3.884 14.283 2.636 255 HG3 GLU 65 3HG GLU 65 2.428 15.233 2.965 256 H THR 66 H THR 66 2.751 14.522 -2.128 257 HA THR 66 HA THR 66 0.386 13.293 -3.153 258 HB THR 66 HB THR 66 1.358 13.908 -5.353 259 HG1 THR 66 1HG THR 66 3.386 14.612 -5.517 260 HG21 THR 66 1HG2 THR 66 1.908 16.151 -3.395 261 HG22 THR 66 2HG2 THR 66 0.277 15.698 -3.949 262 HG23 THR 66 3HG2 THR 66 1.486 16.280 -5.112 263 H HIS 67 H HIS 67 3.409 11.964 -2.486 264 HA HIS 67 HA HIS 67 3.345 9.964 -4.714 265 HB2 HIS 67 2HB HIS 67 4.932 12.326 -4.317 266 HB3 HIS 67 3HB HIS 67 5.976 10.966 -4.088 267 HD1 HIS 67 1HD HIS 67 7.203 11.215 -6.561 268 HD2 HIS 67 2HD HIS 67 3.041 11.625 -6.476 269 HE1 HIS 67 1HE HIS 67 6.508 11.567 -8.963 270 H PHE 68 H PHE 68 3.588 7.885 -3.999 271 HA PHE 68 HA PHE 68 5.022 7.428 -1.429 272 HB2 PHE 68 2HB PHE 68 2.574 8.162 -1.275 273 HB3 PHE 68 3HB PHE 68 2.138 6.606 -1.946 274 HD1 PHE 68 1HD PHE 68 3.849 8.327 0.855 275 HD2 PHE 68 2HD PHE 68 1.958 4.720 -0.493 276 HE1 PHE 68 1HE PHE 68 3.974 7.388 3.207 277 HE2 PHE 68 2HE PHE 68 1.992 3.843 1.847 278 HZ PHE 68 HZ PHE 68 2.999 5.190 3.651 279 H ARG 69 H ARG 69 5.357 5.337 -0.690 280 HA ARG 69 HA ARG 69 5.118 3.052 -2.587 281 HB2 ARG 69 2HB ARG 69 7.559 4.332 -1.510 282 HB3 ARG 69 3HB ARG 69 7.481 2.645 -1.070 283 HG2 ARG 69 2HG ARG 69 7.201 3.715 -3.901 284 HG3 ARG 69 3HG ARG 69 8.687 3.090 -3.195 285 HD2 ARG 69 2HD ARG 69 6.172 1.544 -3.869 286 HD3 ARG 69 3HD ARG 69 7.760 1.412 -4.610 287 HE ARG 69 HE ARG 69 7.564 0.764 -1.713 288 HH11 ARG 69 1HH1 ARG 69 7.972 -0.583 -4.988 289 HH12 ARG 69 2HH1 ARG 69 8.384 -2.130 -4.290 290 HH21 ARG 69 1HH2 ARG 69 8.015 -1.204 -1.036 291 HH22 ARG 69 2HH2 ARG 69 8.450 -2.471 -2.195 292 H VAL 70 H VAL 70 4.518 1.199 -1.713 293 HA VAL 70 HA VAL 70 4.421 0.885 1.249 294 HB VAL 70 HB VAL 70 2.242 -0.493 -0.245 295 HG11 VAL 70 1HG1 VAL 70 2.630 -0.601 2.253 296 HG12 VAL 70 2HG1 VAL 70 2.225 1.125 2.330 297 HG13 VAL 70 3HG1 VAL 70 1.013 -0.046 1.783 298 HG21 VAL 70 1HG2 VAL 70 0.686 1.402 -0.184 299 HG22 VAL 70 2HG2 VAL 70 2.048 2.490 0.162 300 HG23 VAL 70 3HG2 VAL 70 1.972 1.622 -1.378 301 H ALA 71 H ALA 71 5.013 -1.028 2.027 302 HA ALA 71 HA ALA 71 4.478 -3.407 0.333 303 HB1 ALA 71 1HB ALA 71 6.817 -3.230 2.314 304 HB2 ALA 71 2HB ALA 71 6.402 -4.605 1.279 305 HB3 ALA 71 3HB ALA 71 7.010 -3.107 0.548 306 H VAL 72 H VAL 72 3.486 -5.079 1.179 307 HA VAL 72 HA VAL 72 2.438 -4.770 3.912 308 HB VAL 72 HB VAL 72 0.924 -3.559 2.393 309 HG11 VAL 72 1HG1 VAL 72 1.455 -4.503 0.212 310 HG12 VAL 72 2HG1 VAL 72 0.692 -6.025 0.725 311 HG13 VAL 72 3HG1 VAL 72 -0.270 -4.546 0.575 312 HG21 VAL 72 1HG2 VAL 72 -1.039 -4.771 2.833 313 HG22 VAL 72 2HG2 VAL 72 -0.054 -6.247 3.080 314 HG23 VAL 72 3HG2 VAL 72 0.121 -4.870 4.200 315 H VAL 73 H VAL 73 2.027 -6.620 4.900 316 HA VAL 73 HA VAL 73 1.889 -9.165 3.358 317 HB VAL 73 HB VAL 73 2.695 -8.801 6.230 318 HG11 VAL 73 1HG1 VAL 73 2.332 -11.352 4.647 319 HG12 VAL 73 2HG1 VAL 73 3.010 -11.232 6.296 320 HG13 VAL 73 3HG1 VAL 73 1.318 -10.851 6.006 321 HG21 VAL 73 1HG2 VAL 73 4.291 -10.171 4.044 322 HG22 VAL 73 2HG2 VAL 73 4.525 -8.455 4.464 323 HG23 VAL 73 3HG2 VAL 73 4.807 -9.723 5.666 324 H SER 74 H SER 74 -0.058 -10.094 3.368 325 HA SER 74 HA SER 74 -1.764 -9.909 5.752 326 HB2 SER 74 2HB SER 74 -2.574 -7.943 4.540 327 HB3 SER 74 3HB SER 74 -2.853 -8.927 3.086 328 HG SER 74 HG SER 74 -4.724 -8.570 4.681 329 H SER 75 H SER 75 -3.173 -11.564 5.990 330 HA SER 75 HA SER 75 -2.855 -14.039 4.497 331 HB2 SER 75 2HB SER 75 -4.769 -14.805 5.877 332 HB3 SER 75 3HB SER 75 -3.457 -14.108 6.839 333 HG SER 75 HG SER 75 -4.626 -12.223 7.090 334 H ARG 76 H ARG 76 -4.660 -11.192 3.836 335 HA ARG 76 HA ARG 76 -6.750 -12.445 2.238 336 HB2 ARG 76 2HB ARG 76 -6.514 -10.069 3.484 337 HB3 ARG 76 3HB ARG 76 -6.161 -9.578 1.823 338 HG2 ARG 76 2HG ARG 76 -8.294 -10.623 1.062 339 HG3 ARG 76 3HG ARG 76 -8.573 -11.262 2.706 340 HD2 ARG 76 2HD ARG 76 -8.399 -8.913 3.549 341 HD3 ARG 76 3HD ARG 76 -8.411 -8.365 1.863 342 HE ARG 76 HE ARG 76 -10.694 -8.898 1.686 343 HH11 ARG 76 1HH1 ARG 76 -9.565 -10.019 4.870 344 HH12 ARG 76 2HH1 ARG 76 -11.184 -10.065 5.484 345 HH21 ARG 76 1HH2 ARG 76 -12.711 -9.188 2.547 346 HH22 ARG 76 2HH2 ARG 76 -12.862 -9.300 4.297 347 H PHE 77 H PHE 77 -3.487 -12.197 1.557 348 HA PHE 77 HA PHE 77 -3.841 -11.657 -1.335 349 HB2 PHE 77 2HB PHE 77 -1.500 -11.489 0.571 350 HB3 PHE 77 3HB PHE 77 -1.328 -11.299 -1.134 351 HD1 PHE 77 1HD PHE 77 -0.826 -9.354 1.360 352 HD2 PHE 77 2HD PHE 77 -3.739 -9.548 -1.816 353 HE1 PHE 77 1HE PHE 77 -1.141 -6.871 1.461 354 HE2 PHE 77 2HE PHE 77 -4.044 -7.107 -1.683 355 HZ PHE 77 HZ PHE 77 -2.706 -5.757 -0.050 356 H GLU 78 H GLU 78 -3.673 -14.428 0.608 357 HA GLU 78 HA GLU 78 -2.361 -15.900 -1.518 358 HB2 GLU 78 2HB GLU 78 -2.421 -17.760 -0.122 359 HB3 GLU 78 3HB GLU 78 -1.765 -16.448 0.823 360 HG2 GLU 78 2HG GLU 78 -3.895 -16.242 2.042 361 HG3 GLU 78 3HG GLU 78 -4.607 -17.528 1.060 362 H GLY 79 H GLY 79 -3.263 -17.766 -2.476 363 HA2 GLY 79 2HA GLY 79 -5.114 -18.968 -3.402 364 HA3 GLY 79 3HA GLY 79 -6.213 -17.661 -2.976 365 H LEU 80 H LEU 80 -3.180 -16.794 -4.375 366 HA LEU 80 HA LEU 80 -4.457 -15.805 -6.902 367 HB2 LEU 80 2HB LEU 80 -3.105 -14.294 -4.629 368 HB3 LEU 80 3HB LEU 80 -3.544 -13.567 -6.166 369 HG LEU 80 HG LEU 80 -5.778 -14.862 -4.652 370 HD11 LEU 80 1HD1 LEU 80 -4.646 -13.950 -2.786 371 HD12 LEU 80 2HD1 LEU 80 -6.057 -12.958 -3.126 372 HD13 LEU 80 3HD1 LEU 80 -4.432 -12.372 -3.572 373 HD21 LEU 80 1HD2 LEU 80 -5.470 -12.135 -5.917 374 HD22 LEU 80 2HD2 LEU 80 -6.977 -12.885 -5.336 375 HD23 LEU 80 3HD2 LEU 80 -6.124 -13.590 -6.721 376 H SER 81 H SER 81 -2.933 -15.358 -8.550 377 HA SER 81 HA SER 81 -0.063 -15.831 -8.205 378 HB2 SER 81 2HB SER 81 -0.325 -16.054 -10.410 379 HB3 SER 81 3HB SER 81 -1.864 -15.192 -10.430 380 HG SER 81 HG SER 81 0.210 -14.337 -11.534 381 HA PRO 82 HA PRO 82 1.033 -11.862 -6.477 382 HB2 PRO 82 2HB PRO 82 3.393 -11.237 -7.744 383 HB3 PRO 82 3HB PRO 82 3.227 -12.441 -6.436 384 HG2 PRO 82 2HG PRO 82 3.268 -12.935 -9.429 385 HG3 PRO 82 3HG PRO 82 4.184 -13.794 -8.147 386 HD2 PRO 82 2HD PRO 82 1.891 -14.817 -9.145 387 HD3 PRO 82 3HD PRO 82 2.241 -14.928 -7.395 388 H LEU 83 H LEU 83 1.285 -12.024 -10.062 389 HA LEU 83 HA LEU 83 0.780 -9.214 -10.504 390 HB2 LEU 83 2HB LEU 83 1.932 -10.599 -12.148 391 HB3 LEU 83 3HB LEU 83 0.536 -11.667 -12.291 392 HG LEU 83 HG LEU 83 -0.796 -9.847 -13.299 393 HD11 LEU 83 1HD1 LEU 83 1.768 -8.205 -13.134 394 HD12 LEU 83 2HD1 LEU 83 0.253 -7.858 -12.272 395 HD13 LEU 83 3HD1 LEU 83 0.308 -7.752 -14.033 396 HD21 LEU 83 1HD2 LEU 83 0.537 -11.353 -14.732 397 HD22 LEU 83 2HD2 LEU 83 1.913 -10.233 -14.636 398 HD23 LEU 83 3HD2 LEU 83 0.408 -9.733 -15.435 399 H GLN 84 H GLN 84 -1.318 -12.113 -10.455 400 HA GLN 84 HA GLN 84 -3.787 -10.911 -11.158 401 HB2 GLN 84 2HB GLN 84 -3.388 -13.316 -11.052 402 HB3 GLN 84 3HB GLN 84 -3.104 -13.227 -9.317 403 HG2 GLN 84 2HG GLN 84 -5.497 -12.531 -8.992 404 HG3 GLN 84 3HG GLN 84 -5.762 -12.809 -10.715 405 HE21 GLN 84 1HE2 GLN 84 -7.313 -14.259 -9.031 406 HE22 GLN 84 2HE2 GLN 84 -6.750 -15.928 -8.910 407 H ARG 85 H ARG 85 -2.386 -11.366 -7.848 408 HA ARG 85 HA ARG 85 -4.534 -9.927 -6.557 409 HB2 ARG 85 2HB ARG 85 -3.269 -9.982 -4.536 410 HB3 ARG 85 3HB ARG 85 -3.195 -11.543 -5.338 411 HG2 ARG 85 2HG ARG 85 -0.927 -11.032 -6.144 412 HG3 ARG 85 3HG ARG 85 -0.945 -9.473 -5.324 413 HD2 ARG 85 2HD ARG 85 -1.240 -10.584 -3.166 414 HD3 ARG 85 3HD ARG 85 -1.399 -12.166 -3.964 415 HE ARG 85 HE ARG 85 1.130 -10.655 -4.354 416 HH11 ARG 85 1HH1 ARG 85 -0.364 -13.459 -2.727 417 HH12 ARG 85 2HH1 ARG 85 1.250 -14.127 -2.447 418 HH21 ARG 85 1HH2 ARG 85 3.038 -11.610 -3.759 419 HH22 ARG 85 2HH2 ARG 85 2.986 -13.221 -3.051 420 H HIS 86 H HIS 86 -1.300 -8.791 -7.648 421 HA HIS 86 HA HIS 86 -1.527 -6.105 -6.746 422 HB2 HIS 86 2HB HIS 86 -0.045 -7.631 -8.834 423 HB3 HIS 86 3HB HIS 86 -0.155 -5.885 -9.090 424 HD1 HIS 86 1HD HIS 86 2.349 -5.350 -8.565 425 HD2 HIS 86 2HD HIS 86 0.326 -7.524 -5.582 426 HE1 HIS 86 1HE HIS 86 3.864 -5.331 -6.501 427 H ARG 87 H ARG 87 -2.456 -7.392 -10.004 428 HA ARG 87 HA ARG 87 -3.824 -5.079 -10.936 429 HB2 ARG 87 2HB ARG 87 -4.246 -8.049 -11.445 430 HB3 ARG 87 3HB ARG 87 -5.124 -6.813 -12.325 431 HG2 ARG 87 2HG ARG 87 -2.088 -6.769 -12.314 432 HG3 ARG 87 3HG ARG 87 -2.974 -7.896 -13.331 433 HD2 ARG 87 2HD ARG 87 -2.464 -6.035 -14.681 434 HD3 ARG 87 3HD ARG 87 -4.189 -6.008 -14.403 435 HE ARG 87 HE ARG 87 -2.130 -4.223 -13.136 436 HH11 ARG 87 1HH1 ARG 87 -5.527 -4.611 -14.011 437 HH12 ARG 87 2HH1 ARG 87 -5.831 -2.905 -13.841 438 HH21 ARG 87 1HH2 ARG 87 -2.640 -2.039 -12.925 439 HH22 ARG 87 2HH2 ARG 87 -4.323 -1.575 -12.975 440 H LEU 88 H LEU 88 -5.054 -7.682 -8.804 441 HA LEU 88 HA LEU 88 -7.704 -6.630 -8.645 442 HB2 LEU 88 2HB LEU 88 -6.227 -8.791 -7.485 443 HB3 LEU 88 3HB LEU 88 -6.966 -7.924 -6.164 444 HG LEU 88 HG LEU 88 -8.471 -8.915 -8.621 445 HD11 LEU 88 1HD1 LEU 88 -8.251 -10.134 -5.834 446 HD12 LEU 88 2HD1 LEU 88 -7.531 -10.786 -7.326 447 HD13 LEU 88 3HD1 LEU 88 -9.284 -10.714 -7.157 448 HD21 LEU 88 1HD2 LEU 88 -9.494 -7.940 -5.915 449 HD22 LEU 88 2HD2 LEU 88 -10.482 -8.569 -7.248 450 HD23 LEU 88 3HD2 LEU 88 -9.617 -7.044 -7.449 451 H VAL 89 H VAL 89 -4.850 -5.835 -6.503 452 HA VAL 89 HA VAL 89 -6.434 -4.002 -4.894 453 HB VAL 89 HB VAL 89 -3.471 -3.550 -5.301 454 HG11 VAL 89 1HG1 VAL 89 -4.792 -1.995 -3.886 455 HG12 VAL 89 2HG1 VAL 89 -5.312 -3.359 -2.874 456 HG13 VAL 89 3HG1 VAL 89 -3.601 -2.882 -2.936 457 HG21 VAL 89 1HG2 VAL 89 -3.366 -5.853 -4.855 458 HG22 VAL 89 2HG2 VAL 89 -3.087 -5.084 -3.314 459 HG23 VAL 89 3HG2 VAL 89 -4.691 -5.783 -3.654 460 H HIS 90 H HIS 90 -4.648 -3.665 -7.857 461 HA HIS 90 HA HIS 90 -4.546 -0.780 -7.939 462 HB2 HIS 90 2HB HIS 90 -4.165 -2.835 -10.154 463 HB3 HIS 90 3HB HIS 90 -3.772 -1.122 -10.271 464 HD1 HIS 90 1HD HIS 90 -1.432 -3.171 -10.729 465 HD2 HIS 90 2HD HIS 90 -2.481 -1.500 -7.004 466 HE1 HIS 90 1HE HIS 90 0.624 -3.322 -9.273 467 H ALA 91 H ALA 91 -6.709 -3.193 -9.488 468 HA ALA 91 HA ALA 91 -8.414 -1.042 -10.522 469 HB1 ALA 91 1HB ALA 91 -8.701 -4.089 -10.546 470 HB2 ALA 91 2HB ALA 91 -9.685 -2.963 -11.480 471 HB3 ALA 91 3HB ALA 91 -7.954 -3.113 -11.836 472 H ALA 92 H ALA 92 -8.737 -3.446 -7.818 473 HA ALA 92 HA ALA 92 -11.430 -2.520 -7.266 474 HB1 ALA 92 1HB ALA 92 -11.309 -3.877 -5.276 475 HB2 ALA 92 2HB ALA 92 -10.489 -4.788 -6.558 476 HB3 ALA 92 3HB ALA 92 -9.548 -3.919 -5.303 477 H LEU 93 H LEU 93 -8.184 -1.725 -5.929 478 HA LEU 93 HA LEU 93 -9.610 -0.024 -3.902 479 HB2 LEU 93 2HB LEU 93 -7.029 -1.597 -3.784 480 HB3 LEU 93 3HB LEU 93 -7.527 -0.480 -2.575 481 HG LEU 93 HG LEU 93 -8.434 -3.260 -3.157 482 HD11 LEU 93 1HD1 LEU 93 -8.703 -3.171 -0.745 483 HD12 LEU 93 2HD1 LEU 93 -8.592 -1.373 -0.809 484 HD13 LEU 93 3HD1 LEU 93 -7.174 -2.382 -1.242 485 HD21 LEU 93 1HD2 LEU 93 -10.623 -3.039 -2.013 486 HD22 LEU 93 2HD2 LEU 93 -10.675 -2.315 -3.600 487 HD23 LEU 93 3HD2 LEU 93 -10.536 -1.274 -2.178 488 H ALA 94 H ALA 94 -8.550 0.719 -6.542 489 HA ALA 94 HA ALA 94 -6.381 2.399 -6.409 490 HB1 ALA 94 1HB ALA 94 -7.397 3.695 -8.297 491 HB2 ALA 94 2HB ALA 94 -7.763 1.971 -8.487 492 HB3 ALA 94 3HB ALA 94 -9.002 3.073 -7.865 493 H GLU 95 H GLU 95 -9.563 3.406 -5.119 494 HA GLU 95 HA GLU 95 -8.463 6.063 -4.362 495 HB2 GLU 95 2HB GLU 95 -11.182 4.755 -3.965 496 HB3 GLU 95 3HB GLU 95 -10.724 6.327 -3.304 497 HG2 GLU 95 2HG GLU 95 -10.278 7.183 -5.590 498 HG3 GLU 95 3HG GLU 95 -10.778 5.632 -6.271 499 H GLU 96 H GLU 96 -8.589 2.826 -2.891 500 HA GLU 96 HA GLU 96 -8.761 3.803 -0.178 501 HB2 GLU 96 2HB GLU 96 -8.450 1.094 -1.545 502 HB3 GLU 96 3HB GLU 96 -8.712 1.407 0.125 503 HG2 GLU 96 2HG GLU 96 -10.828 2.735 -0.777 504 HG3 GLU 96 3HG GLU 96 -10.588 1.745 -2.192 505 H LEU 97 H LEU 97 -6.314 2.493 -2.545 506 HA LEU 97 HA LEU 97 -4.039 2.927 -0.836 507 HB2 LEU 97 2HB LEU 97 -4.940 2.206 -3.640 508 HB3 LEU 97 3HB LEU 97 -3.429 2.850 -3.510 509 HG LEU 97 HG LEU 97 -4.365 0.294 -2.180 510 HD11 LEU 97 1HD1 LEU 97 -2.324 0.860 -4.389 511 HD12 LEU 97 2HD1 LEU 97 -3.957 0.203 -4.628 512 HD13 LEU 97 3HD1 LEU 97 -2.736 -0.744 -3.760 513 HD21 LEU 97 1HD2 LEU 97 -2.713 1.196 -0.665 514 HD22 LEU 97 2HD2 LEU 97 -1.587 1.515 -2.015 515 HD23 LEU 97 3HD2 LEU 97 -2.014 -0.146 -1.553 516 H GLY 98 H GLY 98 -5.511 4.577 -3.713 517 HA2 GLY 98 2HA GLY 98 -3.487 6.725 -3.529 518 HA3 GLY 98 3HA GLY 98 -4.412 6.189 -4.931 519 H GLY 99 H GLY 99 -5.898 6.871 -1.933 520 HA2 GLY 99 2HA GLY 99 -7.904 8.613 -3.063 521 HA3 GLY 99 3HA GLY 99 -7.666 8.297 -1.346 522 HA PRO 100 HA PRO 100 -5.490 12.265 -1.274 523 HB2 PRO 100 2HB PRO 100 -4.079 12.170 0.985 524 HB3 PRO 100 3HB PRO 100 -5.828 11.743 0.976 525 HG2 PRO 100 2HG PRO 100 -3.517 9.825 0.985 526 HG3 PRO 100 3HG PRO 100 -4.977 9.827 2.013 527 HD2 PRO 100 2HD PRO 100 -4.709 8.412 -0.404 528 HD3 PRO 100 3HD PRO 100 -6.259 8.864 0.363 529 H VAL 101 H VAL 101 -3.909 9.798 -2.578 530 HA VAL 101 HA VAL 101 -1.213 11.105 -2.946 531 HB VAL 101 HB VAL 101 -1.795 8.109 -2.593 532 HG11 VAL 101 1HG1 VAL 101 0.110 8.670 -4.033 533 HG12 VAL 101 2HG1 VAL 101 0.832 9.584 -2.673 534 HG13 VAL 101 3HG1 VAL 101 0.516 7.846 -2.534 535 HG21 VAL 101 1HG2 VAL 101 -0.460 8.354 -0.476 536 HG22 VAL 101 2HG2 VAL 101 -0.639 10.119 -0.635 537 HG23 VAL 101 3HG2 VAL 101 -2.062 9.070 -0.417 538 H HIS 102 H HIS 102 -1.237 11.843 -4.838 539 HA HIS 102 HA HIS 102 -2.826 10.816 -6.992 540 HB2 HIS 102 2HB HIS 102 -2.651 12.958 -7.597 541 HB3 HIS 102 3HB HIS 102 -1.530 13.211 -6.235 542 HD1 HIS 102 1HD HIS 102 -1.385 14.176 -9.620 543 HD2 HIS 102 2HD HIS 102 1.011 12.286 -6.746 544 HE1 HIS 102 1HE HIS 102 1.017 14.645 -10.299 545 H ALA 103 H ALA 103 0.416 10.019 -5.967 546 HA ALA 103 HA ALA 103 0.375 7.961 -8.092 547 HB1 ALA 103 1HB ALA 103 2.964 9.401 -7.507 548 HB2 ALA 103 2HB ALA 103 2.583 8.321 -8.841 549 HB3 ALA 103 3HB ALA 103 1.876 9.955 -8.812 550 H LEU 104 H LEU 104 0.740 6.008 -7.186 551 HA LEU 104 HA LEU 104 2.900 5.719 -5.319 552 HB2 LEU 104 2HB LEU 104 1.805 4.797 -3.551 553 HB3 LEU 104 3HB LEU 104 0.892 6.234 -3.916 554 HG LEU 104 HG LEU 104 0.045 3.364 -4.501 555 HD11 LEU 104 1HD1 LEU 104 -1.551 3.782 -2.670 556 HD12 LEU 104 2HD1 LEU 104 -0.885 5.403 -2.430 557 HD13 LEU 104 3HD1 LEU 104 0.109 3.963 -2.108 558 HD21 LEU 104 1HD2 LEU 104 -1.458 5.998 -4.867 559 HD22 LEU 104 2HD2 LEU 104 -2.200 4.381 -4.941 560 HD23 LEU 104 3HD2 LEU 104 -0.995 4.843 -6.136 561 H ALA 105 H ALA 105 3.605 3.638 -4.765 562 HA ALA 105 HA ALA 105 2.697 1.449 -6.602 563 HB1 ALA 105 1HB ALA 105 5.054 0.768 -6.889 564 HB2 ALA 105 2HB ALA 105 4.714 2.376 -7.546 565 HB3 ALA 105 3HB ALA 105 5.569 2.218 -5.998 566 H ILE 106 H ILE 106 2.568 -0.661 -5.796 567 HA ILE 106 HA ILE 106 3.186 -1.013 -2.906 568 HB ILE 106 HB ILE 106 1.429 -2.542 -2.734 569 HG12 ILE 106 2HG1 ILE 106 1.171 -2.448 -5.755 570 HG13 ILE 106 3HG1 ILE 106 1.625 -3.824 -4.757 571 HG21 ILE 106 1HG2 ILE 106 -0.477 -1.158 -3.081 572 HG22 ILE 106 2HG2 ILE 106 0.883 -0.086 -2.737 573 HG23 ILE 106 3HG2 ILE 106 0.302 -0.274 -4.407 574 HD11 ILE 106 1HD1 ILE 106 -1.107 -2.557 -4.911 575 HD12 ILE 106 2HD1 ILE 106 -0.612 -4.165 -5.477 576 HD13 ILE 106 3HD1 ILE 106 -0.650 -3.821 -3.733 577 H GLN 107 H GLN 107 4.010 -2.973 -2.105 578 HA GLN 107 HA GLN 107 4.199 -5.244 -4.025 579 HB2 GLN 107 2HB GLN 107 6.323 -4.447 -2.008 580 HB3 GLN 107 3HB GLN 107 6.160 -6.102 -2.607 581 HG2 GLN 107 2HG GLN 107 6.460 -5.347 -4.931 582 HG3 GLN 107 3HG GLN 107 6.564 -3.669 -4.400 583 HE21 GLN 107 1HE2 GLN 107 8.329 -6.774 -4.444 584 HE22 GLN 107 2HE2 GLN 107 9.870 -6.035 -3.971 585 H ALA 108 H ALA 108 3.017 -6.922 -3.383 586 HA ALA 108 HA ALA 108 1.900 -6.933 -0.600 587 HB1 ALA 108 1HB ALA 108 -0.141 -7.875 -1.607 588 HB2 ALA 108 2HB ALA 108 0.255 -6.295 -2.314 589 HB3 ALA 108 3HB ALA 108 0.600 -7.791 -3.213 590 H ARG 109 H ARG 109 2.157 -8.615 0.628 591 HA ARG 109 HA ARG 109 3.295 -11.166 -0.458 592 HB2 ARG 109 2HB ARG 109 4.109 -9.592 2.001 593 HB3 ARG 109 3HB ARG 109 4.886 -11.058 1.420 594 HG2 ARG 109 2HG ARG 109 4.993 -8.267 0.208 595 HG3 ARG 109 3HG ARG 109 6.260 -9.151 1.042 596 HD2 ARG 109 2HD ARG 109 5.812 -10.900 -0.979 597 HD3 ARG 109 3HD ARG 109 5.279 -9.399 -1.760 598 HE ARG 109 HE ARG 109 7.781 -8.910 -0.476 599 HH11 ARG 109 1HH1 ARG 109 6.644 -10.610 -3.338 600 HH12 ARG 109 2HH1 ARG 109 8.235 -10.565 -4.073 601 HH21 ARG 109 1HH2 ARG 109 9.773 -8.998 -1.450 602 HH22 ARG 109 2HH2 ARG 109 9.892 -9.665 -3.059 603 H THR 110 H THR 110 3.338 -12.943 1.043 604 HA THR 110 HA THR 110 1.022 -13.070 2.910 605 HB THR 110 HB THR 110 1.099 -15.501 2.602 606 HG1 THR 110 1HG THR 110 2.394 -16.328 0.973 607 HG21 THR 110 1HG2 THR 110 -0.375 -14.196 1.135 608 HG22 THR 110 2HG2 THR 110 0.312 -15.583 0.263 609 HG23 THR 110 3HG2 THR 110 0.951 -13.959 -0.024 610 HA PRO 111 HA PRO 111 3.686 -13.270 6.256 611 HB2 PRO 111 2HB PRO 111 2.437 -14.871 8.107 612 HB3 PRO 111 3HB PRO 111 1.956 -13.199 7.705 613 HG2 PRO 111 2HG PRO 111 0.799 -15.780 6.640 614 HG3 PRO 111 3HG PRO 111 -0.080 -14.323 7.208 615 HD2 PRO 111 2HD PRO 111 0.321 -14.760 4.564 616 HD3 PRO 111 3HD PRO 111 0.448 -13.117 5.246 617 H ALA 112 H ALA 112 2.751 -16.695 5.308 618 HA ALA 112 HA ALA 112 5.044 -17.809 6.554 619 HB1 ALA 112 1HB ALA 112 4.691 -19.714 4.988 620 HB2 ALA 112 2HB ALA 112 3.189 -19.167 5.744 621 HB3 ALA 112 3HB ALA 112 3.542 -18.728 4.055 622 H GLN 113 H GLN 113 4.815 -16.233 3.322 623 HA GLN 113 HA GLN 113 7.530 -16.911 2.582 624 HB2 GLN 113 2HB GLN 113 7.033 -15.930 0.637 625 HB3 GLN 113 3HB GLN 113 5.390 -15.886 1.220 626 HG2 GLN 113 2HG GLN 113 5.812 -13.513 2.009 627 HG3 GLN 113 3HG GLN 113 7.409 -13.610 1.299 628 HE21 GLN 113 1HE2 GLN 113 7.596 -13.559 -1.065 629 HE22 GLN 113 2HE2 GLN 113 6.170 -13.309 -2.059 630 H TRP 114 H TRP 114 6.049 -14.034 4.179 631 HA TRP 114 HA TRP 114 8.495 -12.551 4.436 632 HB2 TRP 114 2HB TRP 114 6.159 -11.638 4.649 633 HB3 TRP 114 3HB TRP 114 6.028 -12.425 6.210 634 HD1 TRP 114 HD1 TRP 114 7.700 -11.463 8.166 635 HE1 TRP 114 HE1 TRP 114 8.599 -9.093 8.558 636 HE3 TRP 114 HE3 TRP 114 6.997 -9.525 3.467 637 HZ2 TRP 114 HZ2 TRP 114 8.598 -6.578 7.147 638 HZ3 TRP 114 HZ3 TRP 114 7.376 -7.106 3.052 639 HH2 TRP 114 HH2 TRP 114 8.111 -5.626 4.902 640 H ARG 115 H ARG 115 7.011 -14.943 6.563 641 HA ARG 115 HA ARG 115 8.618 -14.559 8.925 642 HB2 ARG 115 2HB ARG 115 7.185 -17.022 7.862 643 HB3 ARG 115 3HB ARG 115 7.890 -16.915 9.465 644 HG2 ARG 115 2HG ARG 115 5.906 -14.767 8.771 645 HG3 ARG 115 3HG ARG 115 5.301 -16.410 8.868 646 HD2 ARG 115 2HD ARG 115 4.927 -15.463 10.961 647 HD3 ARG 115 3HD ARG 115 6.248 -16.603 11.171 648 HE ARG 115 HE ARG 115 7.741 -14.839 11.625 649 HH11 ARG 115 1HH1 ARG 115 4.553 -13.422 10.967 650 HH12 ARG 115 2HH1 ARG 115 5.008 -11.975 11.807 651 HH21 ARG 115 1HH2 ARG 115 8.160 -12.960 12.615 652 HH22 ARG 115 2HH2 ARG 115 7.016 -11.634 12.480 653 H GLU 116 H GLU 116 9.030 -16.639 6.067 654 HA GLU 116 HA GLU 116 11.533 -17.748 7.117 655 HB2 GLU 116 2HB GLU 116 9.971 -18.199 4.576 656 HB3 GLU 116 3HB GLU 116 11.549 -18.942 4.912 657 HG2 GLU 116 2HG GLU 116 10.563 -19.791 7.117 658 HG3 GLU 116 3HG GLU 116 8.980 -19.279 6.520 659 H ASN 117 H ASN 117 10.828 -15.872 4.080 660 HA ASN 117 HA ASN 117 13.694 -14.949 4.124 661 HB2 ASN 117 2HB ASN 117 13.700 -17.159 3.166 662 HB3 ASN 117 3HB ASN 117 12.366 -16.783 2.091 663 HD21 ASN 117 1HD2 ASN 117 15.796 -15.744 2.760 664 HD22 ASN 117 2HD2 ASN 117 16.149 -15.633 1.031 665 H SER 118 H SER 118 10.534 -14.096 3.472 666 HA SER 118 HA SER 118 9.339 -12.787 2.158 667 HB2 SER 118 2HB SER 118 10.022 -10.873 1.024 668 HB3 SER 118 3HB SER 118 10.927 -10.937 2.543 669 HG SER 118 HG SER 118 12.633 -11.951 1.248 Start of MODEL 2 1 HA PRO 31 HA PRO 31 -1.681 12.331 5.721 2 HB2 PRO 31 2HB PRO 31 0.422 10.612 7.030 3 HB3 PRO 31 3HB PRO 31 0.629 12.035 5.965 4 HG2 PRO 31 2HG PRO 31 0.962 12.334 8.613 5 HG3 PRO 31 3HG PRO 31 -0.031 13.539 7.724 6 HD2 PRO 31 2HD PRO 31 -0.987 11.117 9.290 7 HD3 PRO 31 3HD PRO 31 -1.557 12.811 9.398 8 H VAL 32 H VAL 32 -1.070 10.849 4.009 9 HA VAL 32 HA VAL 32 -3.084 8.951 3.651 10 HB VAL 32 HB VAL 32 -1.954 10.204 1.865 11 HG11 VAL 32 1HG1 VAL 32 0.383 8.257 2.126 12 HG12 VAL 32 2HG1 VAL 32 0.190 9.548 0.929 13 HG13 VAL 32 3HG1 VAL 32 0.434 9.950 2.634 14 HG21 VAL 32 1HG2 VAL 32 -1.674 7.224 1.421 15 HG22 VAL 32 2HG2 VAL 32 -3.215 8.120 1.349 16 HG23 VAL 32 3HG2 VAL 32 -1.915 8.467 0.184 17 H GLU 33 H GLU 33 -0.081 8.371 5.051 18 HA GLU 33 HA GLU 33 0.057 5.469 4.448 19 HB2 GLU 33 2HB GLU 33 2.073 5.878 6.256 20 HB3 GLU 33 3HB GLU 33 2.207 5.990 4.562 21 HG2 GLU 33 2HG GLU 33 2.047 8.415 4.574 22 HG3 GLU 33 3HG GLU 33 1.721 8.327 6.315 23 H ALA 34 H ALA 34 -0.011 7.439 7.357 24 HA ALA 34 HA ALA 34 -0.911 5.552 9.248 25 HB1 ALA 34 1HB ALA 34 -1.853 8.449 9.017 26 HB2 ALA 34 2HB ALA 34 -1.552 7.481 10.486 27 HB3 ALA 34 3HB ALA 34 -0.204 8.014 9.498 28 H ALA 35 H ALA 35 -2.818 7.420 6.849 29 HA ALA 35 HA ALA 35 -5.380 6.360 7.543 30 HB1 ALA 35 1HB ALA 35 -5.024 8.455 6.274 31 HB2 ALA 35 2HB ALA 35 -4.410 7.510 4.901 32 HB3 ALA 35 3HB ALA 35 -6.090 7.321 5.424 33 H ILE 36 H ILE 36 -3.063 5.261 4.894 34 HA ILE 36 HA ILE 36 -4.806 3.152 4.135 35 HB ILE 36 HB ILE 36 -2.790 4.102 2.857 36 HG12 ILE 36 2HG1 ILE 36 -3.372 1.124 2.825 37 HG13 ILE 36 3HG1 ILE 36 -4.351 2.386 2.057 38 HG21 ILE 36 1HG2 ILE 36 -0.706 2.811 2.901 39 HG22 ILE 36 2HG2 ILE 36 -0.993 3.488 4.478 40 HG23 ILE 36 3HG2 ILE 36 -1.322 1.771 4.188 41 HD11 ILE 36 1HD1 ILE 36 -2.997 1.345 0.367 42 HD12 ILE 36 2HD1 ILE 36 -2.382 2.995 0.646 43 HD13 ILE 36 3HD1 ILE 36 -1.513 1.588 1.296 44 H ARG 37 H ARG 37 -2.192 3.180 6.516 45 HA ARG 37 HA ARG 37 -2.204 0.478 7.387 46 HB2 ARG 37 2HB ARG 37 -0.691 2.395 8.033 47 HB3 ARG 37 3HB ARG 37 -1.942 3.013 9.086 48 HG2 ARG 37 2HG ARG 37 -0.552 0.323 9.390 49 HG3 ARG 37 3HG ARG 37 -0.091 1.833 10.162 50 HD2 ARG 37 2HD ARG 37 -2.387 1.845 11.278 51 HD3 ARG 37 3HD ARG 37 -2.544 0.160 10.710 52 HE ARG 37 HE ARG 37 -0.018 0.337 11.891 53 HH11 ARG 37 1HH1 ARG 37 -3.295 0.118 13.095 54 HH12 ARG 37 2HH1 ARG 37 -2.712 -0.032 14.741 55 HH21 ARG 37 1HH2 ARG 37 0.578 0.219 13.996 56 HH22 ARG 37 2HH2 ARG 37 -0.662 -0.169 15.189 57 H THR 38 H THR 38 -4.091 3.157 8.798 58 HA THR 38 HA THR 38 -5.845 1.586 10.371 59 HB THR 38 HB THR 38 -6.385 4.268 9.030 60 HG1 THR 38 1HG THR 38 -4.626 4.538 10.200 61 HG21 THR 38 1HG2 THR 38 -8.451 3.365 10.036 62 HG22 THR 38 2HG2 THR 38 -7.817 4.726 10.961 63 HG23 THR 38 3HG2 THR 38 -7.585 3.071 11.563 64 H LYS 39 H LYS 39 -6.486 2.798 7.048 65 HA LYS 39 HA LYS 39 -9.148 1.774 6.817 66 HB2 LYS 39 2HB LYS 39 -7.055 2.634 4.773 67 HB3 LYS 39 3HB LYS 39 -8.699 2.186 4.327 68 HG2 LYS 39 2HG LYS 39 -9.664 4.003 5.547 69 HG3 LYS 39 3HG LYS 39 -8.152 4.402 6.348 70 HD2 LYS 39 2HD LYS 39 -7.145 5.192 4.321 71 HD3 LYS 39 3HD LYS 39 -8.433 4.532 3.314 72 HE2 LYS 39 2HE LYS 39 -9.416 6.373 5.424 73 HE3 LYS 39 3HE LYS 39 -8.270 7.147 4.325 74 HZ1 LYS 39 1HZ LYS 39 -9.628 6.553 2.473 75 HZ2 LYS 39 2HZ LYS 39 -10.597 7.294 3.548 76 HZ3 LYS 39 3HZ LYS 39 -10.664 5.653 3.396 77 H LEU 40 H LEU 40 -6.018 0.293 5.857 78 HA LEU 40 HA LEU 40 -7.401 -2.008 4.697 79 HB2 LEU 40 2HB LEU 40 -4.496 -1.296 5.097 80 HB3 LEU 40 3HB LEU 40 -4.996 -2.858 4.514 81 HG LEU 40 HG LEU 40 -4.296 -1.108 2.796 82 HD11 LEU 40 1HD1 LEU 40 -5.342 -3.230 2.193 83 HD12 LEU 40 2HD1 LEU 40 -5.889 -1.932 1.118 84 HD13 LEU 40 3HD1 LEU 40 -6.960 -2.520 2.403 85 HD21 LEU 40 1HD2 LEU 40 -5.731 0.821 3.475 86 HD22 LEU 40 2HD2 LEU 40 -7.167 -0.116 3.005 87 HD23 LEU 40 3HD2 LEU 40 -5.953 0.339 1.799 88 H GLU 41 H GLU 41 -5.838 -1.321 7.885 89 HA GLU 41 HA GLU 41 -6.306 -3.939 9.019 90 HB2 GLU 41 2HB GLU 41 -6.463 -1.139 10.191 91 HB3 GLU 41 3HB GLU 41 -6.812 -2.587 11.123 92 HG2 GLU 41 2HG GLU 41 -4.530 -3.441 10.664 93 HG3 GLU 41 3HG GLU 41 -4.126 -1.926 9.864 94 H GLU 42 H GLU 42 -8.564 -1.168 8.483 95 HA GLU 42 HA GLU 42 -10.828 -2.604 9.568 96 HB2 GLU 42 2HB GLU 42 -11.046 -0.382 9.777 97 HB3 GLU 42 3HB GLU 42 -10.192 0.002 8.282 98 HG2 GLU 42 2HG GLU 42 -12.099 -0.538 6.959 99 HG3 GLU 42 3HG GLU 42 -13.039 -1.007 8.396 100 H ALA 43 H ALA 43 -9.521 -2.377 6.241 101 HA ALA 43 HA ALA 43 -11.859 -3.670 5.114 102 HB1 ALA 43 1HB ALA 43 -9.157 -3.067 3.861 103 HB2 ALA 43 2HB ALA 43 -10.649 -3.496 3.004 104 HB3 ALA 43 3HB ALA 43 -10.562 -1.975 3.900 105 H LEU 44 H LEU 44 -8.457 -4.919 5.530 106 HA LEU 44 HA LEU 44 -9.468 -7.588 4.658 107 HB2 LEU 44 2HB LEU 44 -7.828 -7.897 3.112 108 HB3 LEU 44 3HB LEU 44 -8.851 -6.512 2.805 109 HG LEU 44 HG LEU 44 -6.916 -5.025 3.621 110 HD11 LEU 44 1HD1 LEU 44 -4.651 -6.012 3.323 111 HD12 LEU 44 2HD1 LEU 44 -5.371 -7.632 3.179 112 HD13 LEU 44 3HD1 LEU 44 -5.472 -6.743 4.705 113 HD21 LEU 44 1HD2 LEU 44 -6.838 -6.884 1.227 114 HD22 LEU 44 2HD2 LEU 44 -5.894 -5.361 1.321 115 HD23 LEU 44 3HD2 LEU 44 -7.679 -5.342 1.359 116 H SER 45 H SER 45 -7.781 -6.077 7.096 117 HA SER 45 HA SER 45 -6.240 -6.695 8.672 118 HB2 SER 45 2HB SER 45 -7.304 -9.445 8.208 119 HB3 SER 45 3HB SER 45 -6.344 -8.849 9.595 120 HG SER 45 HG SER 45 -8.928 -7.999 8.800 121 HA PRO 46 HA PRO 46 -2.385 -7.511 6.427 122 HB2 PRO 46 2HB PRO 46 -1.948 -5.215 8.304 123 HB3 PRO 46 3HB PRO 46 -1.143 -5.507 6.765 124 HG2 PRO 46 2HG PRO 46 -3.110 -3.678 6.950 125 HG3 PRO 46 3HG PRO 46 -3.149 -4.832 5.563 126 HD2 PRO 46 2HD PRO 46 -4.682 -4.956 8.174 127 HD3 PRO 46 3HD PRO 46 -5.266 -5.262 6.496 128 H GLU 47 H GLU 47 -0.599 -8.450 7.451 129 HA GLU 47 HA GLU 47 -0.501 -8.606 10.440 130 HB2 GLU 47 2HB GLU 47 0.137 -10.662 9.023 131 HB3 GLU 47 3HB GLU 47 1.484 -9.790 8.420 132 HG2 GLU 47 2HG GLU 47 1.063 -9.978 11.389 133 HG3 GLU 47 3HG GLU 47 1.797 -11.319 10.471 134 H VAL 48 H VAL 48 1.306 -7.751 7.490 135 HA VAL 48 HA VAL 48 3.079 -6.101 9.178 136 HB VAL 48 HB VAL 48 4.348 -6.947 6.704 137 HG11 VAL 48 1HG1 VAL 48 5.349 -6.053 8.595 138 HG12 VAL 48 2HG1 VAL 48 4.740 -7.506 9.599 139 HG13 VAL 48 3HG1 VAL 48 5.937 -7.733 8.261 140 HG21 VAL 48 1HG2 VAL 48 3.983 -9.295 8.593 141 HG22 VAL 48 2HG2 VAL 48 3.038 -9.214 7.125 142 HG23 VAL 48 3HG2 VAL 48 4.824 -9.210 7.085 143 H LEU 49 H LEU 49 3.706 -4.177 8.668 144 HA LEU 49 HA LEU 49 2.913 -2.958 6.105 145 HB2 LEU 49 2HB LEU 49 1.077 -3.021 7.937 146 HB3 LEU 49 3HB LEU 49 2.079 -1.934 8.867 147 HG LEU 49 HG LEU 49 0.170 -0.900 7.712 148 HD11 LEU 49 1HD1 LEU 49 2.214 0.423 8.244 149 HD12 LEU 49 2HD1 LEU 49 1.267 1.060 6.894 150 HD13 LEU 49 3HD1 LEU 49 2.766 0.148 6.574 151 HD21 LEU 49 1HD2 LEU 49 0.093 -0.553 5.336 152 HD22 LEU 49 2HD2 LEU 49 0.169 -2.294 5.690 153 HD23 LEU 49 3HD2 LEU 49 1.615 -1.435 5.103 154 H GLU 50 H GLU 50 4.777 -2.060 5.381 155 HA GLU 50 HA GLU 50 6.142 -0.117 7.191 156 HB2 GLU 50 2HB GLU 50 7.571 -2.053 5.385 157 HB3 GLU 50 3HB GLU 50 8.295 -0.728 6.233 158 HG2 GLU 50 2HG GLU 50 7.629 -1.777 8.415 159 HG3 GLU 50 3HG GLU 50 7.095 -3.205 7.522 160 H LEU 51 H LEU 51 6.353 1.802 6.219 161 HA LEU 51 HA LEU 51 6.309 2.058 3.268 162 HB2 LEU 51 2HB LEU 51 4.158 2.875 2.998 163 HB3 LEU 51 3HB LEU 51 3.993 1.490 4.072 164 HG LEU 51 HG LEU 51 3.867 4.397 4.756 165 HD11 LEU 51 1HD1 LEU 51 1.830 3.544 3.800 166 HD12 LEU 51 2HD1 LEU 51 1.549 3.776 5.535 167 HD13 LEU 51 3HD1 LEU 51 1.828 2.150 4.904 168 HD21 LEU 51 1HD2 LEU 51 3.234 3.712 7.113 169 HD22 LEU 51 2HD2 LEU 51 4.919 3.415 6.715 170 HD23 LEU 51 3HD2 LEU 51 3.792 2.075 6.707 171 H ARG 52 H ARG 52 6.298 4.226 2.338 172 HA ARG 52 HA ARG 52 6.834 6.533 4.027 173 HB2 ARG 52 2HB ARG 52 9.076 5.390 2.283 174 HB3 ARG 52 3HB ARG 52 8.975 7.078 2.752 175 HG2 ARG 52 2HG ARG 52 10.386 6.424 4.354 176 HG3 ARG 52 3HG ARG 52 8.888 6.101 5.217 177 HD2 ARG 52 2HD ARG 52 9.114 3.661 4.482 178 HD3 ARG 52 3HD ARG 52 10.603 4.098 3.661 179 HE ARG 52 HE ARG 52 11.713 3.958 5.670 180 HH11 ARG 52 1HH1 ARG 52 8.313 4.297 6.541 181 HH12 ARG 52 2HH1 ARG 52 8.686 4.103 8.233 182 HH21 ARG 52 1HH2 ARG 52 12.053 3.698 7.739 183 HH22 ARG 52 2HH2 ARG 52 10.744 3.740 8.907 184 H ASN 53 H ASN 53 6.094 8.316 3.020 185 HA ASN 53 HA ASN 53 5.333 8.140 0.218 186 HB2 ASN 53 2HB ASN 53 4.149 10.067 0.478 187 HB3 ASN 53 3HB ASN 53 4.039 9.282 2.047 188 HD21 ASN 53 1HD2 ASN 53 3.299 11.663 2.561 189 HD22 ASN 53 2HD2 ASN 53 4.600 12.831 2.742 190 H GLU 54 H GLU 54 6.171 9.269 -1.551 191 HA GLU 54 HA GLU 54 9.141 9.375 -1.384 192 HB2 GLU 54 2HB GLU 54 8.098 7.733 -2.857 193 HB3 GLU 54 3HB GLU 54 7.251 9.007 -3.728 194 HG2 GLU 54 2HG GLU 54 9.413 9.905 -4.537 195 HG3 GLU 54 3HG GLU 54 10.282 8.687 -3.597 196 H SER 55 H SER 55 6.442 11.444 -1.822 197 HA SER 55 HA SER 55 7.173 13.178 -3.783 198 HB2 SER 55 2HB SER 55 5.383 14.565 -2.933 199 HB3 SER 55 3HB SER 55 5.027 12.804 -2.866 200 HG SER 55 HG SER 55 4.763 14.496 -0.882 201 H GLY 56 H GLY 56 8.626 13.356 -0.649 202 HA2 GLY 56 2HA GLY 56 9.463 16.127 -0.759 203 HA3 GLY 56 3HA GLY 56 10.255 14.837 0.152 204 H GLY 57 H GLY 57 10.418 13.409 -2.683 205 HA2 GLY 57 2HA GLY 57 12.931 14.539 -3.696 206 HA3 GLY 57 3HA GLY 57 12.009 13.189 -4.360 207 H HIS 58 H HIS 58 9.853 15.734 -3.971 208 HA HIS 58 HA HIS 58 10.258 16.872 -6.696 209 HB2 HIS 58 2HB HIS 58 7.660 15.987 -5.358 210 HB3 HIS 58 3HB HIS 58 7.733 16.883 -6.850 211 HD1 HIS 58 1HD HIS 58 8.342 15.512 -9.071 212 HD2 HIS 58 2HD HIS 58 8.654 13.343 -5.470 213 HE1 HIS 58 1HE HIS 58 8.749 13.094 -9.711 214 H ALA 59 H ALA 59 9.244 18.995 -6.982 215 HA ALA 59 HA ALA 59 10.053 20.781 -4.871 216 HB1 ALA 59 1HB ALA 59 9.676 22.504 -6.554 217 HB2 ALA 59 2HB ALA 59 10.491 21.112 -7.291 218 HB3 ALA 59 3HB ALA 59 8.753 21.367 -7.559 219 H VAL 60 H VAL 60 7.688 19.185 -4.172 220 HA VAL 60 HA VAL 60 5.355 20.880 -4.500 221 HB VAL 60 HB VAL 60 4.119 19.019 -3.504 222 HG11 VAL 60 1HG1 VAL 60 4.482 17.411 -5.298 223 HG12 VAL 60 2HG1 VAL 60 4.528 19.071 -5.912 224 HG13 VAL 60 3HG1 VAL 60 6.037 18.159 -5.696 225 HG21 VAL 60 1HG2 VAL 60 6.791 17.569 -3.325 226 HG22 VAL 60 2HG2 VAL 60 5.845 18.136 -1.935 227 HG23 VAL 60 3HG2 VAL 60 5.185 16.889 -3.000 228 HA PRO 61 HA PRO 61 5.209 23.009 -0.697 229 HB2 PRO 61 2HB PRO 61 2.343 22.096 -0.388 230 HB3 PRO 61 3HB PRO 61 3.012 23.750 -0.248 231 HG2 PRO 61 2HG PRO 61 1.735 23.025 -2.505 232 HG3 PRO 61 3HG PRO 61 3.279 23.930 -2.613 233 HD2 PRO 61 2HD PRO 61 2.826 20.957 -2.919 234 HD3 PRO 61 3HD PRO 61 3.799 22.074 -3.919 235 HA PRO 62 HA PRO 62 5.604 20.194 2.844 236 HB2 PRO 62 2HB PRO 62 4.841 21.763 4.974 237 HB3 PRO 62 3HB PRO 62 6.426 21.895 4.153 238 HG2 PRO 62 2HG PRO 62 3.942 23.572 3.688 239 HG3 PRO 62 3HG PRO 62 5.629 24.129 3.911 240 HD2 PRO 62 2HD PRO 62 4.535 23.874 1.445 241 HD3 PRO 62 3HD PRO 62 6.241 23.432 1.728 242 H GLY 63 H GLY 63 4.275 18.702 3.781 243 HA2 GLY 63 2HA GLY 63 2.326 17.540 4.255 244 HA3 GLY 63 3HA GLY 63 1.390 19.030 4.122 245 H SER 64 H SER 64 3.241 18.601 1.254 246 HA SER 64 HA SER 64 0.851 17.734 -0.217 247 HB2 SER 64 2HB SER 64 2.336 19.572 -1.001 248 HB3 SER 64 3HB SER 64 3.567 18.337 -1.350 249 HG SER 64 HG SER 64 1.156 18.929 -2.578 250 H GLU 65 H GLU 65 0.387 15.697 -0.500 251 HA GLU 65 HA GLU 65 2.520 13.599 -0.579 252 HB2 GLU 65 2HB GLU 65 -0.344 13.255 0.373 253 HB3 GLU 65 3HB GLU 65 0.966 12.067 0.393 254 HG2 GLU 65 2HG GLU 65 2.233 13.757 1.874 255 HG3 GLU 65 3HG GLU 65 0.694 14.602 2.043 256 H THR 66 H THR 66 2.551 14.469 -2.917 257 HA THR 66 HA THR 66 0.457 13.540 -4.699 258 HB THR 66 HB THR 66 2.093 14.116 -6.471 259 HG1 THR 66 1HG THR 66 4.052 14.897 -5.918 260 HG21 THR 66 1HG2 THR 66 2.345 16.507 -6.064 261 HG22 THR 66 2HG2 THR 66 2.024 16.295 -4.338 262 HG23 THR 66 3HG2 THR 66 0.733 15.983 -5.526 263 H HIS 67 H HIS 67 3.235 12.109 -3.214 264 HA HIS 67 HA HIS 67 3.413 9.916 -5.225 265 HB2 HIS 67 2HB HIS 67 5.091 12.169 -4.825 266 HB3 HIS 67 3HB HIS 67 5.943 10.828 -4.155 267 HD1 HIS 67 1HD HIS 67 7.372 9.686 -6.277 268 HD2 HIS 67 2HD HIS 67 3.801 11.650 -7.191 269 HE1 HIS 67 1HE HIS 67 7.391 9.983 -8.787 270 H PHE 68 H PHE 68 3.394 7.928 -4.278 271 HA PHE 68 HA PHE 68 4.134 7.749 -1.382 272 HB2 PHE 68 2HB PHE 68 1.819 8.406 -1.623 273 HB3 PHE 68 3HB PHE 68 1.452 7.101 -2.693 274 HD1 PHE 68 1HD PHE 68 3.307 7.185 0.617 275 HD2 PHE 68 2HD PHE 68 -0.155 5.846 -1.580 276 HE1 PHE 68 1HE PHE 68 2.531 5.962 2.603 277 HE2 PHE 68 2HE PHE 68 -0.959 4.656 0.425 278 HZ PHE 68 HZ PHE 68 0.373 4.700 2.515 279 H ARG 69 H ARG 69 5.235 5.900 -0.669 280 HA ARG 69 HA ARG 69 4.823 3.435 -2.310 281 HB2 ARG 69 2HB ARG 69 7.518 4.450 -1.359 282 HB3 ARG 69 3HB ARG 69 7.199 2.862 -2.054 283 HG2 ARG 69 2HG ARG 69 6.025 4.526 -3.936 284 HG3 ARG 69 3HG ARG 69 7.381 5.509 -3.410 285 HD2 ARG 69 2HD ARG 69 7.508 2.634 -4.439 286 HD3 ARG 69 3HD ARG 69 7.698 4.065 -5.426 287 HE ARG 69 HE ARG 69 9.730 4.691 -4.326 288 HH11 ARG 69 1HH1 ARG 69 8.852 1.350 -3.624 289 HH12 ARG 69 2HH1 ARG 69 10.519 0.855 -3.576 290 HH21 ARG 69 1HH2 ARG 69 11.771 4.000 -4.310 291 HH22 ARG 69 2HH2 ARG 69 12.174 2.357 -3.939 292 H VAL 70 H VAL 70 4.734 1.513 -1.424 293 HA VAL 70 HA VAL 70 4.642 1.345 1.564 294 HB VAL 70 HB VAL 70 2.415 0.137 -0.060 295 HG11 VAL 70 1HG1 VAL 70 2.735 -0.276 2.489 296 HG12 VAL 70 2HG1 VAL 70 2.254 1.415 2.675 297 HG13 VAL 70 3HG1 VAL 70 1.141 0.285 1.933 298 HG21 VAL 70 1HG2 VAL 70 0.972 2.128 0.334 299 HG22 VAL 70 2HG2 VAL 70 2.411 3.044 0.830 300 HG23 VAL 70 3HG2 VAL 70 2.254 2.436 -0.834 301 H ALA 71 H ALA 71 4.991 -0.606 2.494 302 HA ALA 71 HA ALA 71 5.012 -3.040 0.734 303 HB1 ALA 71 1HB ALA 71 6.582 -4.094 2.207 304 HB2 ALA 71 2HB ALA 71 7.262 -2.528 1.722 305 HB3 ALA 71 3HB ALA 71 6.549 -2.734 3.339 306 H VAL 72 H VAL 72 3.336 -4.310 1.057 307 HA VAL 72 HA VAL 72 1.817 -4.210 3.639 308 HB VAL 72 HB VAL 72 -0.242 -4.646 2.125 309 HG11 VAL 72 1HG1 VAL 72 -0.609 -2.181 1.863 310 HG12 VAL 72 2HG1 VAL 72 -0.082 -2.702 3.467 311 HG13 VAL 72 3HG1 VAL 72 1.084 -1.950 2.364 312 HG21 VAL 72 1HG2 VAL 72 1.437 -3.152 0.072 313 HG22 VAL 72 2HG2 VAL 72 0.955 -4.853 -0.064 314 HG23 VAL 72 3HG2 VAL 72 -0.278 -3.577 -0.050 315 H VAL 73 H VAL 73 1.812 -6.137 4.635 316 HA VAL 73 HA VAL 73 1.707 -8.586 2.908 317 HB VAL 73 HB VAL 73 3.058 -8.017 5.440 318 HG11 VAL 73 1HG1 VAL 73 3.529 -10.365 3.593 319 HG12 VAL 73 2HG1 VAL 73 4.267 -10.097 5.167 320 HG13 VAL 73 3HG1 VAL 73 2.546 -10.448 5.082 321 HG21 VAL 73 1HG2 VAL 73 4.365 -6.736 4.078 322 HG22 VAL 73 2HG2 VAL 73 5.193 -8.285 3.959 323 HG23 VAL 73 3HG2 VAL 73 4.098 -7.759 2.663 324 H SER 74 H SER 74 0.232 -10.171 3.465 325 HA SER 74 HA SER 74 -1.452 -10.042 5.887 326 HB2 SER 74 2HB SER 74 -2.416 -8.212 4.536 327 HB3 SER 74 3HB SER 74 -2.455 -9.267 3.116 328 HG SER 74 HG SER 74 -4.120 -9.368 5.418 329 H SER 75 H SER 75 -2.834 -11.906 6.094 330 HA SER 75 HA SER 75 -2.132 -14.249 4.510 331 HB2 SER 75 2HB SER 75 -3.784 -15.415 5.846 332 HB3 SER 75 3HB SER 75 -2.717 -14.459 6.880 333 HG SER 75 HG SER 75 -4.981 -14.317 7.393 334 H ARG 76 H ARG 76 -4.229 -11.616 3.878 335 HA ARG 76 HA ARG 76 -6.229 -13.063 2.356 336 HB2 ARG 76 2HB ARG 76 -6.180 -10.582 3.441 337 HB3 ARG 76 3HB ARG 76 -5.516 -10.152 1.876 338 HG2 ARG 76 2HG ARG 76 -7.752 -9.826 1.421 339 HG3 ARG 76 3HG ARG 76 -7.670 -11.541 0.999 340 HD2 ARG 76 2HD ARG 76 -8.275 -12.004 3.470 341 HD3 ARG 76 3HD ARG 76 -8.630 -10.264 3.588 342 HE ARG 76 HE ARG 76 -10.022 -11.433 1.346 343 HH11 ARG 76 1HH1 ARG 76 -10.277 -11.354 4.857 344 HH12 ARG 76 2HH1 ARG 76 -11.979 -11.763 4.794 345 HH21 ARG 76 1HH2 ARG 76 -11.990 -12.090 1.353 346 HH22 ARG 76 2HH2 ARG 76 -12.901 -12.351 2.836 347 H PHE 77 H PHE 77 -2.971 -12.142 1.554 348 HA PHE 77 HA PHE 77 -3.522 -11.945 -1.324 349 HB2 PHE 77 2HB PHE 77 -0.986 -11.569 0.295 350 HB3 PHE 77 3HB PHE 77 -1.193 -11.194 -1.401 351 HD1 PHE 77 1HD PHE 77 -0.064 -9.239 0.388 352 HD2 PHE 77 2HD PHE 77 -4.213 -9.945 -0.549 353 HE1 PHE 77 1HE PHE 77 -0.607 -6.916 1.035 354 HE2 PHE 77 2HE PHE 77 -4.747 -7.629 0.064 355 HZ PHE 77 HZ PHE 77 -2.956 -6.093 0.876 356 H GLU 78 H GLU 78 -3.893 -14.569 -0.095 357 HA GLU 78 HA GLU 78 -1.581 -16.190 -0.864 358 HB2 GLU 78 2HB GLU 78 -4.272 -16.809 0.394 359 HB3 GLU 78 3HB GLU 78 -3.140 -18.074 -0.103 360 HG2 GLU 78 2HG GLU 78 -1.394 -17.080 1.316 361 HG3 GLU 78 3HG GLU 78 -2.559 -15.875 1.903 362 H GLY 79 H GLY 79 -1.288 -17.308 -2.697 363 HA2 GLY 79 2HA GLY 79 -1.795 -19.068 -4.071 364 HA3 GLY 79 3HA GLY 79 -3.481 -18.898 -3.577 365 H LEU 80 H LEU 80 -3.871 -16.221 -4.511 366 HA LEU 80 HA LEU 80 -4.149 -16.294 -7.346 367 HB2 LEU 80 2HB LEU 80 -4.358 -13.764 -6.941 368 HB3 LEU 80 3HB LEU 80 -5.545 -14.825 -6.237 369 HG LEU 80 HG LEU 80 -4.615 -14.468 -4.151 370 HD11 LEU 80 1HD1 LEU 80 -2.733 -12.771 -3.747 371 HD12 LEU 80 2HD1 LEU 80 -2.337 -12.986 -5.468 372 HD13 LEU 80 3HD1 LEU 80 -2.246 -14.353 -4.341 373 HD21 LEU 80 1HD2 LEU 80 -4.951 -12.054 -3.836 374 HD22 LEU 80 2HD2 LEU 80 -6.157 -12.793 -4.899 375 HD23 LEU 80 3HD2 LEU 80 -4.838 -11.842 -5.605 376 H SER 81 H SER 81 -3.014 -14.900 -8.938 377 HA SER 81 HA SER 81 -0.132 -15.099 -8.775 378 HB2 SER 81 2HB SER 81 -0.502 -15.133 -10.954 379 HB3 SER 81 3HB SER 81 -2.118 -14.457 -10.789 380 HG SER 81 HG SER 81 -0.703 -13.209 -12.055 381 HA PRO 82 HA PRO 82 0.827 -11.262 -6.678 382 HB2 PRO 82 2HB PRO 82 3.062 -10.992 -8.690 383 HB3 PRO 82 3HB PRO 82 3.123 -10.803 -6.922 384 HG2 PRO 82 2HG PRO 82 4.012 -13.084 -8.063 385 HG3 PRO 82 3HG PRO 82 2.999 -13.169 -6.585 386 HD2 PRO 82 2HD PRO 82 2.151 -13.587 -9.465 387 HD3 PRO 82 3HD PRO 82 1.741 -14.533 -8.004 388 H LEU 83 H LEU 83 1.076 -11.087 -10.274 389 HA LEU 83 HA LEU 83 0.374 -8.326 -10.523 390 HB2 LEU 83 2HB LEU 83 1.521 -9.578 -12.275 391 HB3 LEU 83 3HB LEU 83 0.156 -10.683 -12.435 392 HG LEU 83 HG LEU 83 -1.262 -8.831 -13.288 393 HD11 LEU 83 1HD1 LEU 83 1.298 -7.174 -13.143 394 HD12 LEU 83 2HD1 LEU 83 -0.194 -6.885 -12.215 395 HD13 LEU 83 3HD1 LEU 83 -0.204 -6.698 -13.969 396 HD21 LEU 83 1HD2 LEU 83 -0.172 -8.626 -15.463 397 HD22 LEU 83 2HD2 LEU 83 0.028 -10.266 -14.821 398 HD23 LEU 83 3HD2 LEU 83 1.387 -9.123 -14.758 399 H GLN 84 H GLN 84 -1.638 -11.286 -10.629 400 HA GLN 84 HA GLN 84 -4.185 -10.127 -11.138 401 HB2 GLN 84 2HB GLN 84 -3.794 -12.479 -11.294 402 HB3 GLN 84 3HB GLN 84 -3.203 -12.565 -9.647 403 HG2 GLN 84 2HG GLN 84 -5.505 -12.142 -8.790 404 HG3 GLN 84 3HG GLN 84 -6.090 -12.211 -10.458 405 HE21 GLN 84 1HE2 GLN 84 -7.101 -14.108 -8.595 406 HE22 GLN 84 2HE2 GLN 84 -6.418 -15.673 -9.046 407 H ARG 85 H ARG 85 -2.566 -10.753 -8.015 408 HA ARG 85 HA ARG 85 -4.427 -9.532 -6.228 409 HB2 ARG 85 2HB ARG 85 -2.826 -10.793 -5.158 410 HB3 ARG 85 3HB ARG 85 -1.550 -10.376 -6.278 411 HG2 ARG 85 2HG ARG 85 -0.916 -9.557 -4.166 412 HG3 ARG 85 3HG ARG 85 -1.294 -8.185 -5.211 413 HD2 ARG 85 2HD ARG 85 -3.644 -8.190 -4.134 414 HD3 ARG 85 3HD ARG 85 -3.093 -9.475 -3.076 415 HE ARG 85 HE ARG 85 -2.150 -7.895 -1.737 416 HH11 ARG 85 1HH1 ARG 85 -2.824 -6.320 -4.789 417 HH12 ARG 85 2HH1 ARG 85 -2.046 -4.832 -4.321 418 HH21 ARG 85 1HH2 ARG 85 -1.360 -5.953 -1.123 419 HH22 ARG 85 2HH2 ARG 85 -1.344 -4.593 -2.223 420 H HIS 86 H HIS 86 -1.563 -8.042 -7.776 421 HA HIS 86 HA HIS 86 -1.886 -5.423 -6.737 422 HB2 HIS 86 2HB HIS 86 -0.399 -6.878 -8.782 423 HB3 HIS 86 3HB HIS 86 -0.617 -5.151 -9.180 424 HD1 HIS 86 1HD HIS 86 1.789 -4.281 -8.619 425 HD2 HIS 86 2HD HIS 86 0.178 -6.923 -5.770 426 HE1 HIS 86 1HE HIS 86 3.497 -4.437 -6.717 427 H ARG 87 H ARG 87 -2.933 -6.646 -9.972 428 HA ARG 87 HA ARG 87 -4.405 -4.384 -10.795 429 HB2 ARG 87 2HB ARG 87 -3.734 -6.490 -12.108 430 HB3 ARG 87 3HB ARG 87 -5.085 -7.301 -11.336 431 HG2 ARG 87 2HG ARG 87 -5.983 -6.709 -13.357 432 HG3 ARG 87 3HG ARG 87 -6.551 -5.374 -12.360 433 HD2 ARG 87 2HD ARG 87 -4.025 -5.254 -14.073 434 HD3 ARG 87 3HD ARG 87 -5.605 -4.855 -14.713 435 HE ARG 87 HE ARG 87 -3.938 -3.170 -13.075 436 HH11 ARG 87 1HH1 ARG 87 -7.327 -3.622 -14.006 437 HH12 ARG 87 2HH1 ARG 87 -7.742 -2.010 -13.475 438 HH21 ARG 87 1HH2 ARG 87 -4.479 -1.232 -12.586 439 HH22 ARG 87 2HH2 ARG 87 -6.122 -0.623 -12.739 440 H LEU 88 H LEU 88 -5.648 -7.208 -8.946 441 HA LEU 88 HA LEU 88 -8.289 -6.402 -8.555 442 HB2 LEU 88 2HB LEU 88 -7.117 -8.558 -7.905 443 HB3 LEU 88 3HB LEU 88 -6.543 -7.769 -6.459 444 HG LEU 88 HG LEU 88 -9.432 -8.368 -7.217 445 HD11 LEU 88 1HD1 LEU 88 -9.313 -9.949 -5.349 446 HD12 LEU 88 2HD1 LEU 88 -7.650 -9.447 -4.983 447 HD13 LEU 88 3HD1 LEU 88 -8.017 -10.298 -6.497 448 HD21 LEU 88 1HD2 LEU 88 -8.347 -7.015 -4.705 449 HD22 LEU 88 2HD2 LEU 88 -9.959 -7.738 -4.838 450 HD23 LEU 88 3HD2 LEU 88 -9.552 -6.368 -5.858 451 H VAL 89 H VAL 89 -5.648 -5.781 -6.148 452 HA VAL 89 HA VAL 89 -7.416 -4.098 -4.598 453 HB VAL 89 HB VAL 89 -4.388 -4.192 -4.451 454 HG11 VAL 89 1HG1 VAL 89 -5.268 -2.266 -3.186 455 HG12 VAL 89 2HG1 VAL 89 -6.454 -3.315 -2.387 456 HG13 VAL 89 3HG1 VAL 89 -4.718 -3.518 -2.075 457 HG21 VAL 89 1HG2 VAL 89 -5.375 -6.438 -4.119 458 HG22 VAL 89 2HG2 VAL 89 -4.795 -5.802 -2.579 459 HG23 VAL 89 3HG2 VAL 89 -6.527 -5.780 -2.952 460 H HIS 90 H HIS 90 -5.230 -3.284 -7.165 461 HA HIS 90 HA HIS 90 -5.171 -0.411 -6.783 462 HB2 HIS 90 2HB HIS 90 -4.568 -2.143 -9.215 463 HB3 HIS 90 3HB HIS 90 -4.354 -0.401 -9.159 464 HD1 HIS 90 1HD HIS 90 -1.762 -0.800 -9.702 465 HD2 HIS 90 2HD HIS 90 -3.156 -2.317 -6.026 466 HE1 HIS 90 1HE HIS 90 0.296 -1.566 -8.391 467 H ALA 91 H ALA 91 -7.222 -2.637 -8.743 468 HA ALA 91 HA ALA 91 -8.787 -0.427 -9.839 469 HB1 ALA 91 1HB ALA 91 -8.391 -2.512 -11.097 470 HB2 ALA 91 2HB ALA 91 -9.233 -3.447 -9.845 471 HB3 ALA 91 3HB ALA 91 -10.123 -2.254 -10.812 472 H ALA 92 H ALA 92 -9.361 -2.959 -7.327 473 HA ALA 92 HA ALA 92 -11.989 -2.096 -6.629 474 HB1 ALA 92 1HB ALA 92 -11.619 -3.450 -4.577 475 HB2 ALA 92 2HB ALA 92 -11.017 -4.326 -6.004 476 HB3 ALA 92 3HB ALA 92 -9.889 -3.509 -4.884 477 H LEU 93 H LEU 93 -8.761 -1.307 -5.192 478 HA LEU 93 HA LEU 93 -10.252 0.507 -3.294 479 HB2 LEU 93 2HB LEU 93 -7.742 -1.122 -2.896 480 HB3 LEU 93 3HB LEU 93 -8.343 0.084 -1.796 481 HG LEU 93 HG LEU 93 -9.504 -2.636 -2.479 482 HD11 LEU 93 1HD1 LEU 93 -9.501 -2.701 -0.056 483 HD12 LEU 93 2HD1 LEU 93 -9.114 -0.933 -0.010 484 HD13 LEU 93 3HD1 LEU 93 -7.930 -2.111 -0.673 485 HD21 LEU 93 1HD2 LEU 93 -11.513 -2.074 -1.063 486 HD22 LEU 93 2HD2 LEU 93 -11.567 -1.336 -2.657 487 HD23 LEU 93 3HD2 LEU 93 -11.108 -0.348 -1.246 488 H ALA 94 H ALA 94 -9.117 1.108 -5.844 489 HA ALA 94 HA ALA 94 -6.940 2.769 -5.864 490 HB1 ALA 94 1HB ALA 94 -8.047 4.024 -7.702 491 HB2 ALA 94 2HB ALA 94 -8.529 2.326 -7.832 492 HB3 ALA 94 3HB ALA 94 -9.643 3.505 -7.129 493 H GLU 95 H GLU 95 -10.059 3.753 -4.448 494 HA GLU 95 HA GLU 95 -9.139 6.473 -3.972 495 HB2 GLU 95 2HB GLU 95 -11.565 4.963 -2.928 496 HB3 GLU 95 3HB GLU 95 -11.262 6.691 -2.714 497 HG2 GLU 95 2HG GLU 95 -11.257 7.009 -5.178 498 HG3 GLU 95 3HG GLU 95 -11.616 5.293 -5.407 499 H GLU 96 H GLU 96 -8.796 3.415 -2.152 500 HA GLU 96 HA GLU 96 -8.460 4.677 0.414 501 HB2 GLU 96 2HB GLU 96 -8.260 1.813 -0.573 502 HB3 GLU 96 3HB GLU 96 -8.376 2.427 1.022 503 HG2 GLU 96 2HG GLU 96 -10.644 3.505 0.068 504 HG3 GLU 96 3HG GLU 96 -10.483 2.198 -1.063 505 H LEU 97 H LEU 97 -6.681 2.823 -2.063 506 HA LEU 97 HA LEU 97 -4.081 2.894 -0.945 507 HB2 LEU 97 2HB LEU 97 -5.549 1.813 -3.116 508 HB3 LEU 97 3HB LEU 97 -4.399 2.777 -3.896 509 HG LEU 97 HG LEU 97 -3.780 0.558 -1.899 510 HD11 LEU 97 1HD1 LEU 97 -3.386 0.682 -4.923 511 HD12 LEU 97 2HD1 LEU 97 -4.668 -0.214 -4.093 512 HD13 LEU 97 3HD1 LEU 97 -2.967 -0.680 -3.862 513 HD21 LEU 97 1HD2 LEU 97 -1.824 2.061 -3.683 514 HD22 LEU 97 2HD2 LEU 97 -1.450 0.792 -2.507 515 HD23 LEU 97 3HD2 LEU 97 -2.009 2.369 -1.943 516 H GLY 98 H GLY 98 -5.659 4.888 -3.471 517 HA2 GLY 98 2HA GLY 98 -3.279 6.720 -3.562 518 HA3 GLY 98 3HA GLY 98 -3.818 5.801 -4.975 519 H GLY 99 H GLY 99 -6.234 6.871 -2.921 520 HA2 GLY 99 2HA GLY 99 -7.768 8.104 -4.959 521 HA3 GLY 99 3HA GLY 99 -8.097 8.236 -3.223 522 HA PRO 100 HA PRO 100 -6.500 12.367 -3.426 523 HB2 PRO 100 2HB PRO 100 -5.303 12.897 -1.084 524 HB3 PRO 100 3HB PRO 100 -6.968 12.203 -1.140 525 HG2 PRO 100 2HG PRO 100 -4.403 10.637 -0.770 526 HG3 PRO 100 3HG PRO 100 -5.839 10.675 0.310 527 HD2 PRO 100 2HD PRO 100 -5.555 8.815 -1.662 528 HD3 PRO 100 3HD PRO 100 -7.154 9.476 -1.225 529 H VAL 101 H VAL 101 -4.486 10.095 -4.376 530 HA VAL 101 HA VAL 101 -1.885 11.529 -4.111 531 HB VAL 101 HB VAL 101 -2.163 8.521 -4.541 532 HG11 VAL 101 1HG1 VAL 101 -0.035 8.420 -3.555 533 HG12 VAL 101 2HG1 VAL 101 0.018 9.435 -4.978 534 HG13 VAL 101 3HG1 VAL 101 0.038 10.190 -3.352 535 HG21 VAL 101 1HG2 VAL 101 -3.358 8.980 -2.429 536 HG22 VAL 101 2HG2 VAL 101 -1.797 8.239 -2.125 537 HG23 VAL 101 3HG2 VAL 101 -2.000 9.991 -1.880 538 H HIS 102 H HIS 102 -0.364 11.225 -5.976 539 HA HIS 102 HA HIS 102 -1.847 11.344 -8.577 540 HB2 HIS 102 2HB HIS 102 0.724 12.725 -7.725 541 HB3 HIS 102 3HB HIS 102 0.042 12.776 -9.320 542 HD1 HIS 102 1HD HIS 102 -1.074 15.084 -9.687 543 HD2 HIS 102 2HD HIS 102 -1.466 13.611 -5.762 544 HE1 HIS 102 1HE HIS 102 -2.278 16.875 -8.360 545 H ALA 103 H ALA 103 1.132 10.112 -7.005 546 HA ALA 103 HA ALA 103 1.113 7.833 -8.884 547 HB1 ALA 103 1HB ALA 103 2.894 9.646 -9.546 548 HB2 ALA 103 2HB ALA 103 3.726 9.081 -8.063 549 HB3 ALA 103 3HB ALA 103 3.415 7.953 -9.382 550 H LEU 104 H LEU 104 1.982 5.915 -8.003 551 HA LEU 104 HA LEU 104 3.245 5.834 -5.475 552 HB2 LEU 104 2HB LEU 104 1.538 4.578 -4.293 553 HB3 LEU 104 3HB LEU 104 1.081 6.239 -4.582 554 HG LEU 104 HG LEU 104 -0.091 3.781 -5.929 555 HD11 LEU 104 1HD1 LEU 104 -1.083 5.752 -3.806 556 HD12 LEU 104 2HD1 LEU 104 -0.556 4.094 -3.500 557 HD13 LEU 104 3HD1 LEU 104 -2.007 4.371 -4.471 558 HD21 LEU 104 1HD2 LEU 104 -0.883 6.735 -6.116 559 HD22 LEU 104 2HD2 LEU 104 -1.909 5.372 -6.625 560 HD23 LEU 104 3HD2 LEU 104 -0.391 5.669 -7.458 561 H ALA 105 H ALA 105 3.848 3.746 -4.693 562 HA ALA 105 HA ALA 105 3.348 1.433 -6.445 563 HB1 ALA 105 1HB ALA 105 6.121 2.426 -5.968 564 HB2 ALA 105 2HB ALA 105 5.742 0.781 -6.506 565 HB3 ALA 105 3HB ALA 105 5.281 2.173 -7.500 566 H ILE 106 H ILE 106 2.671 -0.264 -5.341 567 HA ILE 106 HA ILE 106 3.624 -0.700 -2.577 568 HB ILE 106 HB ILE 106 1.980 -2.383 -2.337 569 HG12 ILE 106 2HG1 ILE 106 1.355 -2.049 -5.297 570 HG13 ILE 106 3HG1 ILE 106 2.004 -3.461 -4.476 571 HG21 ILE 106 1HG2 ILE 106 0.020 -1.040 -2.346 572 HG22 ILE 106 2HG2 ILE 106 1.384 0.055 -2.087 573 HG23 ILE 106 3HG2 ILE 106 0.622 -0.029 -3.677 574 HD11 ILE 106 1HD1 ILE 106 -0.101 -3.702 -3.203 575 HD12 ILE 106 2HD1 ILE 106 -0.808 -2.381 -4.170 576 HD13 ILE 106 3HD1 ILE 106 -0.305 -3.884 -4.962 577 H GLN 107 H GLN 107 4.672 -2.500 -1.860 578 HA GLN 107 HA GLN 107 5.036 -4.784 -3.757 579 HB2 GLN 107 2HB GLN 107 6.713 -4.000 -1.343 580 HB3 GLN 107 3HB GLN 107 6.600 -5.657 -1.922 581 HG2 GLN 107 2HG GLN 107 8.547 -4.842 -2.926 582 HG3 GLN 107 3HG GLN 107 7.349 -4.880 -4.205 583 HE21 GLN 107 1HE2 GLN 107 7.765 -3.165 -5.548 584 HE22 GLN 107 2HE2 GLN 107 8.152 -1.535 -5.028 585 H ALA 108 H ALA 108 4.227 -6.790 -3.025 586 HA ALA 108 HA ALA 108 2.402 -6.660 -0.677 587 HB1 ALA 108 1HB ALA 108 1.597 -7.581 -3.449 588 HB2 ALA 108 2HB ALA 108 0.575 -7.572 -1.992 589 HB3 ALA 108 3HB ALA 108 1.145 -6.038 -2.697 590 H ARG 109 H ARG 109 2.450 -8.429 0.623 591 HA ARG 109 HA ARG 109 3.329 -11.086 -0.497 592 HB2 ARG 109 2HB ARG 109 4.784 -9.450 1.597 593 HB3 ARG 109 3HB ARG 109 4.914 -11.156 1.592 594 HG2 ARG 109 2HG ARG 109 6.710 -10.815 0.279 595 HG3 ARG 109 3HG ARG 109 5.525 -10.739 -1.013 596 HD2 ARG 109 2HD ARG 109 5.531 -8.176 -0.649 597 HD3 ARG 109 3HD ARG 109 6.935 -8.434 0.386 598 HE ARG 109 HE ARG 109 6.931 -9.546 -2.388 599 HH11 ARG 109 1HH1 ARG 109 8.405 -7.069 -0.296 600 HH12 ARG 109 2HH1 ARG 109 9.553 -6.696 -1.564 601 HH21 ARG 109 1HH2 ARG 109 8.535 -9.108 -3.722 602 HH22 ARG 109 2HH2 ARG 109 9.687 -7.832 -3.367 603 H THR 110 H THR 110 3.463 -12.811 1.315 604 HA THR 110 HA THR 110 1.191 -12.500 3.205 605 HB THR 110 HB THR 110 1.015 -14.888 3.351 606 HG1 THR 110 1HG THR 110 2.347 -16.206 2.538 607 HG21 THR 110 1HG2 THR 110 1.097 -13.926 0.469 608 HG22 THR 110 2HG2 THR 110 -0.249 -13.750 1.621 609 HG23 THR 110 3HG2 THR 110 0.247 -15.366 1.080 610 HA PRO 111 HA PRO 111 3.645 -12.383 6.732 611 HB2 PRO 111 2HB PRO 111 2.169 -14.685 7.990 612 HB3 PRO 111 3HB PRO 111 2.484 -13.038 8.624 613 HG2 PRO 111 2HG PRO 111 0.040 -13.717 7.607 614 HG3 PRO 111 3HG PRO 111 0.761 -12.106 7.293 615 HD2 PRO 111 2HD PRO 111 0.647 -14.482 5.430 616 HD3 PRO 111 3HD PRO 111 0.437 -12.745 5.113 617 H ALA 112 H ALA 112 3.121 -15.995 6.242 618 HA ALA 112 HA ALA 112 5.661 -16.516 7.350 619 HB1 ALA 112 1HB ALA 112 3.797 -18.093 7.281 620 HB2 ALA 112 2HB ALA 112 3.982 -18.267 5.514 621 HB3 ALA 112 3HB ALA 112 5.268 -18.807 6.620 622 H GLN 113 H GLN 113 5.047 -15.532 4.000 623 HA GLN 113 HA GLN 113 7.775 -16.332 3.215 624 HB2 GLN 113 2HB GLN 113 7.509 -15.223 1.179 625 HB3 GLN 113 3HB GLN 113 6.090 -16.234 1.488 626 HG2 GLN 113 2HG GLN 113 4.873 -14.237 2.213 627 HG3 GLN 113 3HG GLN 113 6.255 -13.210 1.828 628 HE21 GLN 113 1HE2 GLN 113 3.605 -15.185 0.505 629 HE22 GLN 113 2HE2 GLN 113 3.897 -14.736 -1.182 630 H TRP 114 H TRP 114 6.183 -13.308 4.477 631 HA TRP 114 HA TRP 114 8.612 -11.726 4.602 632 HB2 TRP 114 2HB TRP 114 6.340 -10.785 5.128 633 HB3 TRP 114 3HB TRP 114 6.342 -11.734 6.592 634 HD1 TRP 114 HD1 TRP 114 8.016 -10.956 8.496 635 HE1 TRP 114 HE1 TRP 114 8.723 -8.569 9.131 636 HE3 TRP 114 HE3 TRP 114 7.425 -8.685 3.943 637 HZ2 TRP 114 HZ2 TRP 114 8.302 -5.981 8.006 638 HZ3 TRP 114 HZ3 TRP 114 7.511 -6.210 3.783 639 HH2 TRP 114 HH2 TRP 114 7.923 -4.834 5.799 640 H ARG 115 H ARG 115 7.356 -14.270 6.752 641 HA ARG 115 HA ARG 115 9.435 -14.024 8.734 642 HB2 ARG 115 2HB ARG 115 7.879 -16.541 8.023 643 HB3 ARG 115 3HB ARG 115 8.857 -16.304 9.466 644 HG2 ARG 115 2HG ARG 115 7.358 -14.441 10.175 645 HG3 ARG 115 3HG ARG 115 6.378 -14.695 8.764 646 HD2 ARG 115 2HD ARG 115 5.180 -15.805 10.367 647 HD3 ARG 115 3HD ARG 115 6.044 -17.119 9.581 648 HE ARG 115 HE ARG 115 6.815 -15.843 12.205 649 HH11 ARG 115 1HH1 ARG 115 6.810 -18.856 10.303 650 HH12 ARG 115 2HH1 ARG 115 6.967 -19.777 11.801 651 HH21 ARG 115 1HH2 ARG 115 7.003 -17.179 13.919 652 HH22 ARG 115 2HH2 ARG 115 7.198 -18.916 13.634 653 H GLU 116 H GLU 116 9.360 -16.050 5.787 654 HA GLU 116 HA GLU 116 11.960 -17.246 6.272 655 HB2 GLU 116 2HB GLU 116 10.321 -18.390 4.910 656 HB3 GLU 116 3HB GLU 116 10.167 -17.009 3.847 657 HG2 GLU 116 2HG GLU 116 11.396 -18.437 2.553 658 HG3 GLU 116 3HG GLU 116 12.664 -17.427 3.186 659 H ASN 117 H ASN 117 11.039 -14.914 3.633 660 HA ASN 117 HA ASN 117 13.646 -13.552 3.985 661 HB2 ASN 117 2HB ASN 117 14.000 -15.621 2.517 662 HB3 ASN 117 3HB ASN 117 12.975 -14.844 1.310 663 HD21 ASN 117 1HD2 ASN 117 14.351 -14.098 -0.290 664 HD22 ASN 117 2HD2 ASN 117 15.638 -12.944 0.106 665 H SER 118 H SER 118 10.482 -13.072 3.608 666 HA SER 118 HA SER 118 9.039 -11.721 2.587 667 HB2 SER 118 2HB SER 118 9.600 -9.353 2.116 668 HB3 SER 118 3HB SER 118 9.969 -9.909 3.749 669 HG SER 118 HG SER 118 12.116 -10.330 2.259 Start of MODEL 3 1 HA PRO 31 HA PRO 31 0.490 12.890 6.547 2 HB2 PRO 31 2HB PRO 31 2.238 10.805 6.785 3 HB3 PRO 31 3HB PRO 31 2.563 12.427 7.445 4 HG2 PRO 31 2HG PRO 31 1.405 10.034 8.925 5 HG3 PRO 31 3HG PRO 31 2.793 11.053 9.410 6 HD2 PRO 31 2HD PRO 31 0.322 11.505 10.395 7 HD3 PRO 31 3HD PRO 31 1.365 12.879 9.937 8 H VAL 32 H VAL 32 0.348 11.491 4.740 9 HA VAL 32 HA VAL 32 -1.993 9.789 4.802 10 HB VAL 32 HB VAL 32 -1.595 9.309 2.458 11 HG11 VAL 32 1HG1 VAL 32 -1.202 12.261 3.095 12 HG12 VAL 32 2HG1 VAL 32 -1.879 11.567 1.610 13 HG13 VAL 32 3HG1 VAL 32 -2.752 11.390 3.141 14 HG21 VAL 32 1HG2 VAL 32 0.858 9.214 2.422 15 HG22 VAL 32 2HG2 VAL 32 0.245 10.360 1.219 16 HG23 VAL 32 3HG2 VAL 32 0.953 10.956 2.732 17 H GLU 33 H GLU 33 1.157 9.097 5.731 18 HA GLU 33 HA GLU 33 1.158 6.262 4.985 19 HB2 GLU 33 2HB GLU 33 3.240 6.060 6.204 20 HB3 GLU 33 3HB GLU 33 3.240 7.464 5.175 21 HG2 GLU 33 2HG GLU 33 3.963 8.692 6.779 22 HG3 GLU 33 3HG GLU 33 2.369 8.519 7.468 23 H ALA 34 H ALA 34 0.804 8.042 8.051 24 HA ALA 34 HA ALA 34 -0.327 5.998 9.665 25 HB1 ALA 34 1HB ALA 34 -1.152 7.854 11.014 26 HB2 ALA 34 2HB ALA 34 0.499 8.172 10.469 27 HB3 ALA 34 3HB ALA 34 -0.848 8.995 9.675 28 H ALA 35 H ALA 35 -1.954 8.312 7.434 29 HA ALA 35 HA ALA 35 -4.594 7.407 7.952 30 HB1 ALA 35 1HB ALA 35 -3.891 9.492 6.686 31 HB2 ALA 35 2HB ALA 35 -3.588 8.434 5.280 32 HB3 ALA 35 3HB ALA 35 -5.213 8.564 5.962 33 H ILE 36 H ILE 36 -2.229 6.144 5.524 34 HA ILE 36 HA ILE 36 -3.927 3.996 4.644 35 HB ILE 36 HB ILE 36 -0.980 4.545 4.505 36 HG12 ILE 36 2HG1 ILE 36 -3.184 4.006 2.468 37 HG13 ILE 36 3HG1 ILE 36 -2.503 5.577 2.893 38 HG21 ILE 36 1HG2 ILE 36 -2.146 1.864 3.671 39 HG22 ILE 36 2HG2 ILE 36 -0.491 2.435 3.379 40 HG23 ILE 36 3HG2 ILE 36 -1.004 2.127 5.012 41 HD11 ILE 36 1HD1 ILE 36 -1.113 3.306 1.425 42 HD12 ILE 36 2HD1 ILE 36 -1.548 4.905 0.796 43 HD13 ILE 36 3HD1 ILE 36 -0.269 4.757 2.025 44 H ARG 37 H ARG 37 -1.442 4.077 7.288 45 HA ARG 37 HA ARG 37 -1.611 1.367 7.986 46 HB2 ARG 37 2HB ARG 37 -1.227 3.685 9.934 47 HB3 ARG 37 3HB ARG 37 -0.916 1.987 10.264 48 HG2 ARG 37 2HG ARG 37 0.529 2.454 7.902 49 HG3 ARG 37 3HG ARG 37 0.731 3.953 8.788 50 HD2 ARG 37 2HD ARG 37 1.205 1.379 10.262 51 HD3 ARG 37 3HD ARG 37 2.362 1.871 9.032 52 HE ARG 37 HE ARG 37 1.799 4.083 10.815 53 HH11 ARG 37 1HH1 ARG 37 3.825 1.138 10.770 54 HH12 ARG 37 2HH1 ARG 37 4.947 1.904 11.849 55 HH21 ARG 37 1HH2 ARG 37 3.391 4.917 11.915 56 HH22 ARG 37 2HH2 ARG 37 4.894 4.022 12.182 57 H THR 38 H THR 38 -3.612 3.954 9.507 58 HA THR 38 HA THR 38 -5.276 1.945 10.767 59 HB THR 38 HB THR 38 -5.880 4.894 10.445 60 HG1 THR 38 1HG THR 38 -5.114 4.924 12.554 61 HG21 THR 38 1HG2 THR 38 -7.340 4.478 12.455 62 HG22 THR 38 2HG2 THR 38 -7.057 2.735 12.277 63 HG23 THR 38 3HG2 THR 38 -7.931 3.632 11.024 64 H LYS 39 H LYS 39 -5.892 3.793 7.629 65 HA LYS 39 HA LYS 39 -8.530 2.648 7.505 66 HB2 LYS 39 2HB LYS 39 -7.466 4.709 6.214 67 HB3 LYS 39 3HB LYS 39 -7.067 3.483 5.014 68 HG2 LYS 39 2HG LYS 39 -9.136 4.328 4.320 69 HG3 LYS 39 3HG LYS 39 -9.594 2.839 5.161 70 HD2 LYS 39 2HD LYS 39 -10.118 4.239 7.196 71 HD3 LYS 39 3HD LYS 39 -9.648 5.674 6.295 72 HE2 LYS 39 2HE LYS 39 -11.954 5.723 6.181 73 HE3 LYS 39 3HE LYS 39 -11.496 5.065 4.607 74 HZ1 LYS 39 1HZ LYS 39 -13.346 3.855 5.743 75 HZ2 LYS 39 2HZ LYS 39 -12.341 3.426 6.949 76 HZ3 LYS 39 3HZ LYS 39 -12.083 2.849 5.440 77 H LEU 40 H LEU 40 -5.392 1.397 6.207 78 HA LEU 40 HA LEU 40 -6.728 -0.849 4.974 79 HB2 LEU 40 2HB LEU 40 -3.849 -0.142 5.543 80 HB3 LEU 40 3HB LEU 40 -4.299 -1.706 4.913 81 HG LEU 40 HG LEU 40 -3.531 -0.125 3.223 82 HD11 LEU 40 1HD1 LEU 40 -4.984 -2.027 2.603 83 HD12 LEU 40 2HD1 LEU 40 -5.257 -0.639 1.526 84 HD13 LEU 40 3HD1 LEU 40 -6.419 -1.006 2.805 85 HD21 LEU 40 1HD2 LEU 40 -6.114 1.416 3.525 86 HD22 LEU 40 2HD2 LEU 40 -4.891 1.618 2.262 87 HD23 LEU 40 3HD2 LEU 40 -4.480 2.002 3.928 88 H GLU 41 H GLU 41 -5.302 -0.359 8.287 89 HA GLU 41 HA GLU 41 -5.886 -3.048 9.148 90 HB2 GLU 41 2HB GLU 41 -5.858 -0.388 10.581 91 HB3 GLU 41 3HB GLU 41 -6.412 -1.865 11.378 92 HG2 GLU 41 2HG GLU 41 -4.298 -2.999 10.824 93 HG3 GLU 41 3HG GLU 41 -3.678 -1.531 10.077 94 H GLU 42 H GLU 42 -8.171 -0.186 9.054 95 HA GLU 42 HA GLU 42 -10.439 -1.575 9.657 96 HB2 GLU 42 2HB GLU 42 -9.679 1.026 8.966 97 HB3 GLU 42 3HB GLU 42 -10.603 0.540 7.543 98 HG2 GLU 42 2HG GLU 42 -12.139 -0.401 9.565 99 HG3 GLU 42 3HG GLU 42 -11.458 1.007 10.353 100 H ALA 43 H ALA 43 -8.870 -1.346 6.446 101 HA ALA 43 HA ALA 43 -11.115 -2.470 5.057 102 HB1 ALA 43 1HB ALA 43 -9.706 -2.316 3.101 103 HB2 ALA 43 2HB ALA 43 -9.494 -0.859 4.086 104 HB3 ALA 43 3HB ALA 43 -8.254 -2.136 4.100 105 H LEU 44 H LEU 44 -7.904 -3.964 5.884 106 HA LEU 44 HA LEU 44 -9.137 -6.617 5.367 107 HB2 LEU 44 2HB LEU 44 -7.329 -7.398 4.178 108 HB3 LEU 44 3HB LEU 44 -7.802 -5.908 3.415 109 HG LEU 44 HG LEU 44 -5.617 -5.726 5.500 110 HD11 LEU 44 1HD1 LEU 44 -5.150 -6.969 2.781 111 HD12 LEU 44 2HD1 LEU 44 -4.975 -7.795 4.343 112 HD13 LEU 44 3HD1 LEU 44 -3.887 -6.461 3.933 113 HD21 LEU 44 1HD2 LEU 44 -6.460 -3.798 4.197 114 HD22 LEU 44 2HD2 LEU 44 -5.943 -4.591 2.704 115 HD23 LEU 44 3HD2 LEU 44 -4.731 -4.104 3.920 116 H SER 45 H SER 45 -7.586 -4.819 7.716 117 HA SER 45 HA SER 45 -6.435 -5.243 9.628 118 HB2 SER 45 2HB SER 45 -7.211 -6.952 11.032 119 HB3 SER 45 3HB SER 45 -8.542 -6.252 10.141 120 HG SER 45 HG SER 45 -8.604 -8.028 8.816 121 HA PRO 46 HA PRO 46 -3.248 -7.460 6.951 122 HB2 PRO 46 2HB PRO 46 -1.571 -5.334 8.260 123 HB3 PRO 46 3HB PRO 46 -1.441 -5.917 6.641 124 HG2 PRO 46 2HG PRO 46 -2.718 -3.606 7.099 125 HG3 PRO 46 3HG PRO 46 -3.490 -4.795 5.995 126 HD2 PRO 46 2HD PRO 46 -4.048 -4.278 8.923 127 HD3 PRO 46 3HD PRO 46 -5.197 -4.503 7.573 128 H GLU 47 H GLU 47 -1.038 -8.525 7.316 129 HA GLU 47 HA GLU 47 -0.396 -9.055 10.138 130 HB2 GLU 47 2HB GLU 47 -0.259 -10.665 7.886 131 HB3 GLU 47 3HB GLU 47 1.360 -10.025 8.013 132 HG2 GLU 47 2HG GLU 47 1.496 -11.878 9.216 133 HG3 GLU 47 3HG GLU 47 1.329 -10.681 10.486 134 H VAL 48 H VAL 48 1.068 -7.377 7.221 135 HA VAL 48 HA VAL 48 2.151 -5.525 9.290 136 HB VAL 48 HB VAL 48 4.123 -5.148 7.982 137 HG11 VAL 48 1HG1 VAL 48 5.458 -6.835 8.330 138 HG12 VAL 48 2HG1 VAL 48 4.300 -6.927 9.687 139 HG13 VAL 48 3HG1 VAL 48 4.214 -8.121 8.310 140 HG21 VAL 48 1HG2 VAL 48 4.639 -7.138 6.275 141 HG22 VAL 48 2HG2 VAL 48 2.857 -7.021 6.179 142 HG23 VAL 48 3HG2 VAL 48 3.854 -5.606 5.779 143 H LEU 49 H LEU 49 2.575 -3.480 8.501 144 HA LEU 49 HA LEU 49 2.870 -3.392 5.754 145 HB2 LEU 49 2HB LEU 49 1.522 -1.097 5.452 146 HB3 LEU 49 3HB LEU 49 0.842 -2.689 5.165 147 HG LEU 49 HG LEU 49 -0.271 -2.675 7.388 148 HD11 LEU 49 1HD1 LEU 49 1.100 -1.107 8.654 149 HD12 LEU 49 2HD1 LEU 49 -0.556 -0.526 8.567 150 HD13 LEU 49 3HD1 LEU 49 0.699 0.200 7.515 151 HD21 LEU 49 1HD2 LEU 49 -1.418 -2.109 5.383 152 HD22 LEU 49 2HD2 LEU 49 -0.904 -0.396 5.492 153 HD23 LEU 49 3HD2 LEU 49 -1.998 -1.097 6.718 154 H GLU 50 H GLU 50 4.694 -2.483 5.332 155 HA GLU 50 HA GLU 50 5.656 -0.195 7.030 156 HB2 GLU 50 2HB GLU 50 7.295 -2.440 5.892 157 HB3 GLU 50 3HB GLU 50 7.977 -0.982 6.575 158 HG2 GLU 50 2HG GLU 50 5.991 -2.370 8.281 159 HG3 GLU 50 3HG GLU 50 7.487 -3.265 8.023 160 H LEU 51 H LEU 51 6.233 1.488 6.049 161 HA LEU 51 HA LEU 51 6.051 1.616 3.064 162 HB2 LEU 51 2HB LEU 51 3.948 2.587 3.019 163 HB3 LEU 51 3HB LEU 51 3.788 1.305 4.210 164 HG LEU 51 HG LEU 51 4.207 4.202 4.748 165 HD11 LEU 51 1HD1 LEU 51 1.978 4.292 5.749 166 HD12 LEU 51 2HD1 LEU 51 1.727 2.565 5.402 167 HD13 LEU 51 3HD1 LEU 51 1.847 3.739 4.078 168 HD21 LEU 51 1HD2 LEU 51 3.619 3.627 7.183 169 HD22 LEU 51 2HD2 LEU 51 5.181 3.092 6.611 170 HD23 LEU 51 3HD2 LEU 51 3.840 1.920 6.710 171 H ARG 52 H ARG 52 6.107 3.829 2.115 172 HA ARG 52 HA ARG 52 7.698 5.849 3.612 173 HB2 ARG 52 2HB ARG 52 9.194 3.899 3.013 174 HB3 ARG 52 3HB ARG 52 8.818 4.166 1.313 175 HG2 ARG 52 2HG ARG 52 9.933 6.363 1.387 176 HG3 ARG 52 3HG ARG 52 10.178 6.191 3.144 177 HD2 ARG 52 2HD ARG 52 11.471 4.088 2.711 178 HD3 ARG 52 3HD ARG 52 11.339 4.380 0.973 179 HE ARG 52 HE ARG 52 12.482 6.648 1.540 180 HH11 ARG 52 1HH1 ARG 52 13.395 3.549 2.980 181 HH12 ARG 52 2HH1 ARG 52 14.927 4.183 3.528 182 HH21 ARG 52 1HH2 ARG 52 14.321 7.410 2.518 183 HH22 ARG 52 2HH2 ARG 52 15.268 6.333 3.495 184 H ASN 53 H ASN 53 7.344 7.927 2.685 185 HA ASN 53 HA ASN 53 5.951 7.916 0.103 186 HB2 ASN 53 2HB ASN 53 4.949 9.765 0.611 187 HB3 ASN 53 3HB ASN 53 5.326 9.275 2.234 188 HD21 ASN 53 1HD2 ASN 53 4.978 11.399 2.903 189 HD22 ASN 53 2HD2 ASN 53 6.114 12.703 2.529 190 H GLU 54 H GLU 54 6.577 8.686 -1.794 191 HA GLU 54 HA GLU 54 9.489 9.013 -2.305 192 HB2 GLU 54 2HB GLU 54 8.205 7.422 -3.616 193 HB3 GLU 54 3HB GLU 54 7.026 8.655 -4.067 194 HG2 GLU 54 2HG GLU 54 8.687 9.829 -5.409 195 HG3 GLU 54 3HG GLU 54 9.964 8.727 -4.857 196 H SER 55 H SER 55 6.664 10.863 -1.901 197 HA SER 55 HA SER 55 7.009 13.153 -3.456 198 HB2 SER 55 2HB SER 55 5.073 12.230 -2.362 199 HB3 SER 55 3HB SER 55 5.649 12.796 -0.782 200 HG SER 55 HG SER 55 4.774 14.347 -3.019 201 H GLY 56 H GLY 56 8.838 12.376 -0.559 202 HA2 GLY 56 2HA GLY 56 9.725 15.059 0.061 203 HA3 GLY 56 3HA GLY 56 10.597 13.555 0.393 204 H GLY 57 H GLY 57 10.424 12.933 -2.656 205 HA2 GLY 57 2HA GLY 57 12.753 14.449 -3.561 206 HA3 GLY 57 3HA GLY 57 11.958 13.146 -4.399 207 H HIS 58 H HIS 58 9.480 15.266 -3.634 208 HA HIS 58 HA HIS 58 9.741 16.679 -6.260 209 HB2 HIS 58 2HB HIS 58 7.178 15.743 -4.895 210 HB3 HIS 58 3HB HIS 58 7.297 16.642 -6.392 211 HD1 HIS 58 1HD HIS 58 8.089 15.376 -8.617 212 HD2 HIS 58 2HD HIS 58 8.270 13.105 -5.083 213 HE1 HIS 58 1HE HIS 58 8.794 13.045 -9.295 214 H ALA 59 H ALA 59 9.202 18.811 -6.425 215 HA ALA 59 HA ALA 59 9.655 20.419 -4.045 216 HB1 ALA 59 1HB ALA 59 9.180 21.193 -6.954 217 HB2 ALA 59 2HB ALA 59 9.819 22.247 -5.677 218 HB3 ALA 59 3HB ALA 59 10.756 20.839 -6.211 219 H VAL 60 H VAL 60 7.307 19.082 -3.662 220 HA VAL 60 HA VAL 60 5.016 20.777 -4.351 221 HB VAL 60 HB VAL 60 3.638 19.040 -3.358 222 HG11 VAL 60 1HG1 VAL 60 5.757 17.934 -5.227 223 HG12 VAL 60 2HG1 VAL 60 4.162 17.237 -4.943 224 HG13 VAL 60 3HG1 VAL 60 4.298 18.832 -5.692 225 HG21 VAL 60 1HG2 VAL 60 6.137 17.472 -2.696 226 HG22 VAL 60 2HG2 VAL 60 5.047 18.255 -1.516 227 HG23 VAL 60 3HG2 VAL 60 4.440 16.959 -2.532 228 HA PRO 61 HA PRO 61 5.309 23.273 -0.822 229 HB2 PRO 61 2HB PRO 61 2.685 24.026 -0.325 230 HB3 PRO 61 3HB PRO 61 3.685 24.631 -1.680 231 HG2 PRO 61 2HG PRO 61 1.672 22.361 -1.721 232 HG3 PRO 61 3HG PRO 61 1.831 23.722 -2.876 233 HD2 PRO 61 2HD PRO 61 2.884 21.293 -3.408 234 HD3 PRO 61 3HD PRO 61 3.783 22.779 -3.837 235 HA PRO 62 HA PRO 62 4.993 20.964 2.880 236 HB2 PRO 62 2HB PRO 62 4.319 22.828 4.838 237 HB3 PRO 62 3HB PRO 62 5.948 22.617 4.126 238 HG2 PRO 62 2HG PRO 62 3.787 24.580 3.300 239 HG3 PRO 62 3HG PRO 62 5.522 24.915 3.611 240 HD2 PRO 62 2HD PRO 62 4.634 24.587 1.101 241 HD3 PRO 62 3HD PRO 62 6.166 23.804 1.591 242 H GLY 63 H GLY 63 3.605 19.734 3.974 243 HA2 GLY 63 2HA GLY 63 1.574 18.915 4.819 244 HA3 GLY 63 3HA GLY 63 0.725 20.340 4.219 245 H SER 64 H SER 64 2.247 19.641 1.435 246 HA SER 64 HA SER 64 0.165 17.781 0.478 247 HB2 SER 64 2HB SER 64 2.274 19.359 -1.026 248 HB3 SER 64 3HB SER 64 1.111 18.257 -1.758 249 HG SER 64 HG SER 64 0.099 20.251 -1.784 250 H GLU 65 H GLU 65 0.470 15.783 0.058 251 HA GLU 65 HA GLU 65 3.132 14.453 0.203 252 HB2 GLU 65 2HB GLU 65 0.729 13.658 1.901 253 HB3 GLU 65 3HB GLU 65 2.226 12.723 1.690 254 HG2 GLU 65 2HG GLU 65 3.521 14.674 2.582 255 HG3 GLU 65 3HG GLU 65 2.005 15.513 2.909 256 H THR 66 H THR 66 2.947 14.376 -2.010 257 HA THR 66 HA THR 66 0.473 13.602 -3.302 258 HB THR 66 HB THR 66 1.726 14.249 -5.355 259 HG1 THR 66 1HG THR 66 3.763 14.680 -5.317 260 HG21 THR 66 1HG2 THR 66 2.170 16.302 -3.150 261 HG22 THR 66 2HG2 THR 66 0.609 16.008 -3.947 262 HG23 THR 66 3HG2 THR 66 1.987 16.589 -4.894 263 H HIS 67 H HIS 67 3.410 11.951 -2.600 264 HA HIS 67 HA HIS 67 3.106 9.975 -4.826 265 HB2 HIS 67 2HB HIS 67 4.962 12.145 -4.519 266 HB3 HIS 67 3HB HIS 67 5.841 10.693 -4.228 267 HD1 HIS 67 1HD HIS 67 6.803 9.890 -6.754 268 HD2 HIS 67 2HD HIS 67 3.151 11.894 -6.635 269 HE1 HIS 67 1HE HIS 67 6.232 10.396 -9.163 270 H PHE 68 H PHE 68 3.161 7.932 -4.028 271 HA PHE 68 HA PHE 68 4.422 7.532 -1.334 272 HB2 PHE 68 2HB PHE 68 1.839 8.086 -1.574 273 HB3 PHE 68 3HB PHE 68 1.705 6.405 -1.985 274 HD1 PHE 68 1HD PHE 68 2.744 8.831 0.649 275 HD2 PHE 68 2HD PHE 68 2.127 4.672 -0.305 276 HE1 PHE 68 1HE PHE 68 3.149 8.212 3.049 277 HE2 PHE 68 2HE PHE 68 2.610 4.081 2.052 278 HZ PHE 68 HZ PHE 68 3.148 5.830 3.692 279 H ARG 69 H ARG 69 4.972 5.449 -0.521 280 HA ARG 69 HA ARG 69 4.719 3.176 -2.397 281 HB2 ARG 69 2HB ARG 69 7.103 4.398 -2.193 282 HB3 ARG 69 3HB ARG 69 7.203 3.447 -0.725 283 HG2 ARG 69 2HG ARG 69 8.200 2.049 -2.332 284 HG3 ARG 69 3HG ARG 69 6.565 1.403 -2.222 285 HD2 ARG 69 2HD ARG 69 6.975 1.567 -4.590 286 HD3 ARG 69 3HD ARG 69 5.946 2.912 -4.171 287 HE ARG 69 HE ARG 69 7.515 4.384 -4.870 288 HH11 ARG 69 1HH1 ARG 69 9.376 1.446 -4.198 289 HH12 ARG 69 2HH1 ARG 69 10.869 2.238 -4.627 290 HH21 ARG 69 1HH2 ARG 69 9.481 5.265 -5.407 291 HH22 ARG 69 2HH2 ARG 69 10.940 4.342 -5.117 292 H VAL 70 H VAL 70 4.062 1.277 -1.471 293 HA VAL 70 HA VAL 70 4.185 1.033 1.526 294 HB VAL 70 HB VAL 70 1.903 -0.346 0.175 295 HG11 VAL 70 1HG1 VAL 70 2.523 -0.533 2.664 296 HG12 VAL 70 2HG1 VAL 70 2.011 1.163 2.807 297 HG13 VAL 70 3HG1 VAL 70 0.849 -0.058 2.304 298 HG21 VAL 70 1HG2 VAL 70 1.669 2.596 0.821 299 HG22 VAL 70 2HG2 VAL 70 1.566 1.868 -0.797 300 HG23 VAL 70 3HG2 VAL 70 0.346 1.489 0.424 301 H ALA 71 H ALA 71 4.964 -0.823 2.313 302 HA ALA 71 HA ALA 71 4.933 -3.251 0.533 303 HB1 ALA 71 1HB ALA 71 7.189 -2.585 1.482 304 HB2 ALA 71 2HB ALA 71 6.545 -2.994 3.093 305 HB3 ALA 71 3HB ALA 71 6.640 -4.232 1.836 306 H VAL 72 H VAL 72 3.304 -4.640 0.940 307 HA VAL 72 HA VAL 72 2.007 -4.570 3.633 308 HB VAL 72 HB VAL 72 -0.173 -4.785 2.688 309 HG11 VAL 72 1HG1 VAL 72 0.808 -2.489 2.978 310 HG12 VAL 72 2HG1 VAL 72 1.206 -2.488 1.252 311 HG13 VAL 72 3HG1 VAL 72 -0.489 -2.577 1.776 312 HG21 VAL 72 1HG2 VAL 72 -0.660 -4.483 0.285 313 HG22 VAL 72 2HG2 VAL 72 1.076 -4.573 -0.082 314 HG23 VAL 72 3HG2 VAL 72 0.222 -5.983 0.586 315 H VAL 73 H VAL 73 1.375 -6.491 4.557 316 HA VAL 73 HA VAL 73 1.637 -8.937 2.913 317 HB VAL 73 HB VAL 73 3.628 -8.114 4.643 318 HG11 VAL 73 1HG1 VAL 73 2.622 -9.121 6.595 319 HG12 VAL 73 2HG1 VAL 73 2.443 -10.680 5.737 320 HG13 VAL 73 3HG1 VAL 73 4.043 -10.001 6.119 321 HG21 VAL 73 1HG2 VAL 73 3.671 -9.292 2.517 322 HG22 VAL 73 2HG2 VAL 73 4.885 -9.723 3.686 323 HG23 VAL 73 3HG2 VAL 73 3.495 -10.805 3.456 324 H SER 74 H SER 74 0.177 -10.361 3.152 325 HA SER 74 HA SER 74 -1.260 -10.842 5.664 326 HB2 SER 74 2HB SER 74 -2.555 -8.919 4.919 327 HB3 SER 74 3HB SER 74 -2.697 -9.608 3.289 328 HG SER 74 HG SER 74 -4.263 -10.055 5.443 329 H SER 75 H SER 75 -2.403 -12.769 5.663 330 HA SER 75 HA SER 75 -1.854 -14.717 3.517 331 HB2 SER 75 2HB SER 75 -3.312 -14.863 6.167 332 HB3 SER 75 3HB SER 75 -3.357 -16.188 4.986 333 HG SER 75 HG SER 75 -1.188 -16.375 5.031 334 H ARG 76 H ARG 76 -4.235 -12.311 3.835 335 HA ARG 76 HA ARG 76 -6.483 -13.611 2.543 336 HB2 ARG 76 2HB ARG 76 -5.556 -10.730 2.678 337 HB3 ARG 76 3HB ARG 76 -6.975 -11.272 1.784 338 HG2 ARG 76 2HG ARG 76 -7.742 -12.462 3.939 339 HG3 ARG 76 3HG ARG 76 -6.461 -11.574 4.780 340 HD2 ARG 76 2HD ARG 76 -7.493 -9.447 4.069 341 HD3 ARG 76 3HD ARG 76 -8.724 -10.364 3.164 342 HE ARG 76 HE ARG 76 -8.460 -10.973 6.052 343 HH11 ARG 76 1HH1 ARG 76 -10.420 -9.120 3.768 344 HH12 ARG 76 2HH1 ARG 76 -11.808 -9.240 4.828 345 HH21 ARG 76 1HH2 ARG 76 -10.133 -11.072 7.230 346 HH22 ARG 76 2HH2 ARG 76 -11.672 -10.348 6.791 347 H PHE 77 H PHE 77 -3.373 -12.660 1.311 348 HA PHE 77 HA PHE 77 -4.262 -12.480 -1.458 349 HB2 PHE 77 2HB PHE 77 -1.463 -12.245 -0.365 350 HB3 PHE 77 3HB PHE 77 -2.116 -11.588 -1.853 351 HD1 PHE 77 1HD PHE 77 -4.707 -10.348 -0.331 352 HD2 PHE 77 2HD PHE 77 -0.435 -10.168 0.173 353 HE1 PHE 77 1HE PHE 77 -4.942 -8.216 0.877 354 HE2 PHE 77 2HE PHE 77 -0.659 -8.010 1.371 355 HZ PHE 77 HZ PHE 77 -2.921 -7.015 1.719 356 H GLU 78 H GLU 78 -3.845 -15.244 0.288 357 HA GLU 78 HA GLU 78 -2.070 -16.499 -1.579 358 HB2 GLU 78 2HB GLU 78 -2.145 -18.385 -0.246 359 HB3 GLU 78 3HB GLU 78 -2.120 -17.031 0.858 360 HG2 GLU 78 2HG GLU 78 -4.568 -17.356 1.270 361 HG3 GLU 78 3HG GLU 78 -4.574 -18.694 0.122 362 H GLY 79 H GLY 79 -2.530 -18.312 -2.945 363 HA2 GLY 79 2HA GLY 79 -3.985 -19.948 -3.857 364 HA3 GLY 79 3HA GLY 79 -5.390 -18.934 -3.542 365 H LEU 80 H LEU 80 -3.171 -16.936 -4.896 366 HA LEU 80 HA LEU 80 -3.640 -17.416 -7.764 367 HB2 LEU 80 2HB LEU 80 -4.123 -14.841 -7.610 368 HB3 LEU 80 3HB LEU 80 -5.428 -15.986 -7.400 369 HG LEU 80 HG LEU 80 -5.324 -15.530 -5.076 370 HD11 LEU 80 1HD1 LEU 80 -3.012 -15.074 -4.564 371 HD12 LEU 80 2HD1 LEU 80 -3.934 -13.636 -4.148 372 HD13 LEU 80 3HD1 LEU 80 -3.000 -13.670 -5.659 373 HD21 LEU 80 1HD2 LEU 80 -6.052 -13.226 -5.003 374 HD22 LEU 80 2HD2 LEU 80 -6.675 -14.033 -6.454 375 HD23 LEU 80 3HD2 LEU 80 -5.287 -12.917 -6.582 376 H SER 81 H SER 81 -2.288 -15.752 -9.009 377 HA SER 81 HA SER 81 0.402 -15.475 -7.978 378 HB2 SER 81 2HB SER 81 0.111 -15.617 -10.359 379 HB3 SER 81 3HB SER 81 -0.988 -14.218 -10.359 380 HG SER 81 HG SER 81 1.649 -14.211 -10.576 381 HA PRO 82 HA PRO 82 -0.026 -11.517 -5.730 382 HB2 PRO 82 2HB PRO 82 2.750 -11.199 -6.872 383 HB3 PRO 82 3HB PRO 82 2.149 -10.842 -5.220 384 HG2 PRO 82 2HG PRO 82 3.543 -13.119 -5.716 385 HG3 PRO 82 3HG PRO 82 2.092 -13.158 -4.660 386 HD2 PRO 82 2HD PRO 82 2.341 -13.945 -7.564 387 HD3 PRO 82 3HD PRO 82 1.467 -14.764 -6.230 388 H LEU 83 H LEU 83 1.015 -11.871 -9.126 389 HA LEU 83 HA LEU 83 0.754 -9.045 -9.792 390 HB2 LEU 83 2HB LEU 83 0.973 -11.499 -11.578 391 HB3 LEU 83 3HB LEU 83 1.138 -9.825 -12.096 392 HG LEU 83 HG LEU 83 3.020 -11.288 -10.191 393 HD11 LEU 83 1HD1 LEU 83 4.627 -11.114 -12.030 394 HD12 LEU 83 2HD1 LEU 83 3.414 -10.308 -13.047 395 HD13 LEU 83 3HD1 LEU 83 3.188 -12.002 -12.550 396 HD21 LEU 83 1HD2 LEU 83 3.164 -8.452 -11.311 397 HD22 LEU 83 2HD2 LEU 83 4.480 -9.282 -10.460 398 HD23 LEU 83 3HD2 LEU 83 2.987 -8.907 -9.600 399 H GLN 84 H GLN 84 -1.410 -11.879 -10.064 400 HA GLN 84 HA GLN 84 -3.562 -10.378 -11.368 401 HB2 GLN 84 2HB GLN 84 -3.693 -12.707 -11.655 402 HB3 GLN 84 3HB GLN 84 -3.413 -13.051 -9.941 403 HG2 GLN 84 2HG GLN 84 -5.589 -12.338 -9.300 404 HG3 GLN 84 3HG GLN 84 -5.869 -11.516 -10.845 405 HE21 GLN 84 1HE2 GLN 84 -4.631 -14.953 -10.582 406 HE22 GLN 84 2HE2 GLN 84 -6.122 -15.579 -11.254 407 H ARG 85 H ARG 85 -2.709 -11.224 -8.002 408 HA ARG 85 HA ARG 85 -4.803 -9.916 -6.604 409 HB2 ARG 85 2HB ARG 85 -3.537 -11.125 -5.160 410 HB3 ARG 85 3HB ARG 85 -2.095 -10.968 -6.117 411 HG2 ARG 85 2HG ARG 85 -1.570 -10.018 -4.058 412 HG3 ARG 85 3HG ARG 85 -1.727 -8.665 -5.178 413 HD2 ARG 85 2HD ARG 85 -4.145 -8.449 -4.356 414 HD3 ARG 85 3HD ARG 85 -3.784 -9.717 -3.167 415 HE ARG 85 HE ARG 85 -1.867 -7.744 -2.746 416 HH11 ARG 85 1HH1 ARG 85 -5.321 -8.154 -2.398 417 HH12 ARG 85 2HH1 ARG 85 -5.517 -6.744 -1.394 418 HH21 ARG 85 1HH2 ARG 85 -2.159 -5.916 -1.435 419 HH22 ARG 85 2HH2 ARG 85 -3.769 -5.498 -0.883 420 H HIS 86 H HIS 86 -1.662 -8.468 -7.547 421 HA HIS 86 HA HIS 86 -2.197 -5.785 -6.878 422 HB2 HIS 86 2HB HIS 86 -0.366 -7.373 -8.571 423 HB3 HIS 86 3HB HIS 86 -0.508 -5.668 -9.042 424 HD1 HIS 86 1HD HIS 86 1.706 -4.725 -8.204 425 HD2 HIS 86 2HD HIS 86 -0.124 -7.368 -5.507 426 HE1 HIS 86 1HE HIS 86 3.190 -4.775 -6.145 427 H ARG 87 H ARG 87 -2.663 -7.363 -10.132 428 HA ARG 87 HA ARG 87 -3.846 -5.182 -11.463 429 HB2 ARG 87 2HB ARG 87 -3.164 -7.340 -12.504 430 HB3 ARG 87 3HB ARG 87 -4.524 -8.145 -11.715 431 HG2 ARG 87 2HG ARG 87 -6.086 -6.598 -12.980 432 HG3 ARG 87 3HG ARG 87 -4.670 -5.975 -13.849 433 HD2 ARG 87 2HD ARG 87 -4.207 -8.238 -14.726 434 HD3 ARG 87 3HD ARG 87 -5.520 -8.892 -13.728 435 HE ARG 87 HE ARG 87 -6.172 -6.777 -15.715 436 HH11 ARG 87 1HH1 ARG 87 -6.455 -10.227 -14.939 437 HH12 ARG 87 2HH1 ARG 87 -7.823 -10.419 -16.004 438 HH21 ARG 87 1HH2 ARG 87 -7.891 -7.123 -17.037 439 HH22 ARG 87 2HH2 ARG 87 -8.572 -8.716 -17.199 440 H LEU 88 H LEU 88 -5.553 -7.609 -9.403 441 HA LEU 88 HA LEU 88 -8.141 -6.473 -9.703 442 HB2 LEU 88 2HB LEU 88 -6.780 -8.257 -7.653 443 HB3 LEU 88 3HB LEU 88 -8.461 -7.810 -7.520 444 HG LEU 88 HG LEU 88 -7.336 -9.208 -9.983 445 HD11 LEU 88 1HD1 LEU 88 -7.024 -10.625 -7.985 446 HD12 LEU 88 2HD1 LEU 88 -8.277 -11.280 -9.053 447 HD13 LEU 88 3HD1 LEU 88 -8.741 -10.423 -7.569 448 HD21 LEU 88 1HD2 LEU 88 -9.493 -8.076 -10.381 449 HD22 LEU 88 2HD2 LEU 88 -10.188 -8.878 -8.951 450 HD23 LEU 88 3HD2 LEU 88 -9.699 -9.828 -10.366 451 H VAL 89 H VAL 89 -5.606 -5.829 -7.178 452 HA VAL 89 HA VAL 89 -7.177 -3.823 -5.795 453 HB VAL 89 HB VAL 89 -4.170 -4.230 -6.041 454 HG11 VAL 89 1HG1 VAL 89 -5.651 -2.328 -4.172 455 HG12 VAL 89 2HG1 VAL 89 -3.937 -2.774 -4.052 456 HG13 VAL 89 3HG1 VAL 89 -4.503 -1.863 -5.449 457 HG21 VAL 89 1HG2 VAL 89 -6.136 -4.763 -3.766 458 HG22 VAL 89 2HG2 VAL 89 -5.435 -6.000 -4.823 459 HG23 VAL 89 3HG2 VAL 89 -4.385 -5.065 -3.754 460 H HIS 90 H HIS 90 -5.158 -3.627 -8.669 461 HA HIS 90 HA HIS 90 -5.003 -0.735 -8.748 462 HB2 HIS 90 2HB HIS 90 -4.393 -2.867 -10.833 463 HB3 HIS 90 3HB HIS 90 -4.145 -1.150 -11.074 464 HD1 HIS 90 1HD HIS 90 -1.554 -1.892 -11.525 465 HD2 HIS 90 2HD HIS 90 -3.017 -2.234 -7.596 466 HE1 HIS 90 1HE HIS 90 0.474 -2.274 -10.033 467 H ALA 91 H ALA 91 -7.044 -3.137 -10.510 468 HA ALA 91 HA ALA 91 -8.554 -0.909 -11.694 469 HB1 ALA 91 1HB ALA 91 -7.928 -2.885 -13.067 470 HB2 ALA 91 2HB ALA 91 -8.875 -3.936 -11.991 471 HB3 ALA 91 3HB ALA 91 -9.689 -2.700 -12.974 472 H ALA 92 H ALA 92 -9.139 -3.145 -8.996 473 HA ALA 92 HA ALA 92 -11.905 -2.147 -8.802 474 HB1 ALA 92 1HB ALA 92 -12.180 -3.705 -7.005 475 HB2 ALA 92 2HB ALA 92 -11.236 -4.561 -8.240 476 HB3 ALA 92 3HB ALA 92 -10.446 -3.897 -6.777 477 H LEU 93 H LEU 93 -8.803 -1.674 -7.059 478 HA LEU 93 HA LEU 93 -10.341 0.025 -5.111 479 HB2 LEU 93 2HB LEU 93 -7.834 -1.602 -4.714 480 HB3 LEU 93 3HB LEU 93 -8.598 -0.564 -3.541 481 HG LEU 93 HG LEU 93 -9.514 -3.243 -4.644 482 HD11 LEU 93 1HD1 LEU 93 -9.694 -3.603 -2.241 483 HD12 LEU 93 2HD1 LEU 93 -9.417 -1.836 -1.981 484 HD13 LEU 93 3HD1 LEU 93 -8.119 -2.863 -2.663 485 HD21 LEU 93 1HD2 LEU 93 -11.664 -2.995 -3.381 486 HD22 LEU 93 2HD2 LEU 93 -11.648 -2.026 -4.833 487 HD23 LEU 93 3HD2 LEU 93 -11.386 -1.257 -3.260 488 H ALA 94 H ALA 94 -8.727 0.684 -7.633 489 HA ALA 94 HA ALA 94 -6.690 2.464 -6.907 490 HB1 ALA 94 1HB ALA 94 -8.834 2.859 -9.062 491 HB2 ALA 94 2HB ALA 94 -7.361 3.845 -8.939 492 HB3 ALA 94 3HB ALA 94 -7.228 2.120 -9.264 493 H GLU 95 H GLU 95 -10.159 3.134 -6.295 494 HA GLU 95 HA GLU 95 -9.432 5.873 -5.467 495 HB2 GLU 95 2HB GLU 95 -11.557 5.247 -6.757 496 HB3 GLU 95 3HB GLU 95 -12.140 4.562 -5.244 497 HG2 GLU 95 2HG GLU 95 -13.074 6.727 -5.456 498 HG3 GLU 95 3HG GLU 95 -11.884 6.826 -4.179 499 H GLU 96 H GLU 96 -9.480 2.686 -3.833 500 HA GLU 96 HA GLU 96 -9.971 3.811 -1.241 501 HB2 GLU 96 2HB GLU 96 -8.937 1.140 -2.276 502 HB3 GLU 96 3HB GLU 96 -9.430 1.575 -0.688 503 HG2 GLU 96 2HG GLU 96 -11.663 2.280 -2.063 504 HG3 GLU 96 3HG GLU 96 -11.077 1.014 -3.078 505 H LEU 97 H LEU 97 -7.250 2.315 -3.091 506 HA LEU 97 HA LEU 97 -5.304 3.228 -1.124 507 HB2 LEU 97 2HB LEU 97 -5.760 1.051 -2.802 508 HB3 LEU 97 3HB LEU 97 -4.431 1.836 -3.586 509 HG LEU 97 HG LEU 97 -4.513 1.039 -0.625 510 HD11 LEU 97 1HD1 LEU 97 -3.196 -0.382 -2.975 511 HD12 LEU 97 2HD1 LEU 97 -4.616 -0.943 -2.064 512 HD13 LEU 97 3HD1 LEU 97 -3.041 -0.839 -1.261 513 HD21 LEU 97 1HD2 LEU 97 -2.845 2.839 -1.137 514 HD22 LEU 97 2HD2 LEU 97 -2.096 1.753 -2.331 515 HD23 LEU 97 3HD2 LEU 97 -2.098 1.326 -0.610 516 H GLY 98 H GLY 98 -6.133 4.088 -4.539 517 HA2 GLY 98 2HA GLY 98 -3.850 5.958 -4.721 518 HA3 GLY 98 3HA GLY 98 -5.008 5.538 -5.980 519 H GLY 99 H GLY 99 -6.779 6.005 -3.195 520 HA2 GLY 99 2HA GLY 99 -8.171 8.310 -4.156 521 HA3 GLY 99 3HA GLY 99 -8.286 7.611 -2.537 522 HA PRO 100 HA PRO 100 -6.176 10.924 -0.800 523 HB2 PRO 100 2HB PRO 100 -4.295 10.080 0.962 524 HB3 PRO 100 3HB PRO 100 -6.033 9.637 1.066 525 HG2 PRO 100 2HG PRO 100 -3.820 7.962 -0.118 526 HG3 PRO 100 3HG PRO 100 -5.043 7.493 1.102 527 HD2 PRO 100 2HD PRO 100 -5.382 7.004 -1.547 528 HD3 PRO 100 3HD PRO 100 -6.762 7.429 -0.497 529 H VAL 101 H VAL 101 -3.990 9.239 -2.906 530 HA VAL 101 HA VAL 101 -1.838 11.216 -2.759 531 HB VAL 101 HB VAL 101 -0.638 9.381 -3.863 532 HG11 VAL 101 1HG1 VAL 101 -2.034 8.389 -1.369 533 HG12 VAL 101 2HG1 VAL 101 -0.497 7.827 -2.009 534 HG13 VAL 101 3HG1 VAL 101 -0.631 9.488 -1.390 535 HG21 VAL 101 1HG2 VAL 101 -2.565 8.292 -5.035 536 HG22 VAL 101 2HG2 VAL 101 -1.518 7.200 -4.141 537 HG23 VAL 101 3HG2 VAL 101 -3.078 7.646 -3.451 538 H HIS 102 H HIS 102 -0.668 11.606 -4.845 539 HA HIS 102 HA HIS 102 -2.469 11.846 -7.223 540 HB2 HIS 102 2HB HIS 102 0.059 13.353 -6.491 541 HB3 HIS 102 3HB HIS 102 -0.754 13.456 -8.041 542 HD1 HIS 102 1HD HIS 102 -2.602 15.311 -8.220 543 HD2 HIS 102 2HD HIS 102 -1.624 14.177 -4.279 544 HE1 HIS 102 1HE HIS 102 -3.918 16.838 -6.680 545 H ALA 103 H ALA 103 0.455 10.284 -5.982 546 HA ALA 103 HA ALA 103 0.050 8.262 -8.008 547 HB1 ALA 103 1HB ALA 103 2.867 9.325 -7.719 548 HB2 ALA 103 2HB ALA 103 2.245 8.189 -8.915 549 HB3 ALA 103 3HB ALA 103 1.777 9.891 -9.019 550 H LEU 104 H LEU 104 1.076 6.231 -7.477 551 HA LEU 104 HA LEU 104 2.783 5.977 -5.242 552 HB2 LEU 104 2HB LEU 104 1.472 4.808 -3.773 553 HB3 LEU 104 3HB LEU 104 0.520 6.214 -4.150 554 HG LEU 104 HG LEU 104 0.081 3.344 -5.084 555 HD11 LEU 104 1HD1 LEU 104 -0.462 3.747 -2.765 556 HD12 LEU 104 2HD1 LEU 104 -1.980 3.630 -3.682 557 HD13 LEU 104 3HD1 LEU 104 -1.362 5.211 -3.157 558 HD21 LEU 104 1HD2 LEU 104 -2.093 4.118 -6.015 559 HD22 LEU 104 2HD2 LEU 104 -0.699 4.706 -6.917 560 HD23 LEU 104 3HD2 LEU 104 -1.560 5.800 -5.824 561 H ALA 105 H ALA 105 3.492 3.795 -4.719 562 HA ALA 105 HA ALA 105 2.655 1.621 -6.531 563 HB1 ALA 105 1HB ALA 105 5.498 2.526 -6.253 564 HB2 ALA 105 2HB ALA 105 5.077 0.844 -6.652 565 HB3 ALA 105 3HB ALA 105 4.550 2.178 -7.692 566 H ILE 106 H ILE 106 2.487 -0.390 -5.715 567 HA ILE 106 HA ILE 106 2.979 -0.771 -2.796 568 HB ILE 106 HB ILE 106 1.199 -2.509 -2.979 569 HG12 ILE 106 2HG1 ILE 106 0.373 -1.224 -5.620 570 HG13 ILE 106 3HG1 ILE 106 1.385 -2.658 -5.578 571 HG21 ILE 106 1HG2 ILE 106 0.289 0.316 -3.678 572 HG22 ILE 106 2HG2 ILE 106 -0.665 -0.930 -2.846 573 HG23 ILE 106 3HG2 ILE 106 0.770 -0.250 -2.066 574 HD11 ILE 106 1HD1 ILE 106 -0.343 -3.877 -4.293 575 HD12 ILE 106 2HD1 ILE 106 -1.420 -2.461 -4.484 576 HD13 ILE 106 3HD1 ILE 106 -0.856 -3.368 -5.903 577 H GLN 107 H GLN 107 3.868 -2.719 -2.077 578 HA GLN 107 HA GLN 107 4.130 -4.919 -4.078 579 HB2 GLN 107 2HB GLN 107 6.219 -4.094 -2.025 580 HB3 GLN 107 3HB GLN 107 6.071 -5.744 -2.617 581 HG2 GLN 107 2HG GLN 107 7.723 -4.826 -3.977 582 HG3 GLN 107 3HG GLN 107 6.288 -4.884 -4.984 583 HE21 GLN 107 1HE2 GLN 107 6.816 -3.216 -6.424 584 HE22 GLN 107 2HE2 GLN 107 7.179 -1.573 -5.920 585 H ALA 108 H ALA 108 2.765 -6.500 -3.540 586 HA ALA 108 HA ALA 108 1.984 -6.848 -0.693 587 HB1 ALA 108 1HB ALA 108 0.207 -6.195 -2.284 588 HB2 ALA 108 2HB ALA 108 0.513 -7.692 -3.201 589 HB3 ALA 108 3HB ALA 108 -0.078 -7.787 -1.531 590 H ARG 109 H ARG 109 2.361 -8.654 0.386 591 HA ARG 109 HA ARG 109 3.203 -11.213 -0.947 592 HB2 ARG 109 2HB ARG 109 4.798 -9.344 0.789 593 HB3 ARG 109 3HB ARG 109 4.969 -11.025 1.108 594 HG2 ARG 109 2HG ARG 109 6.724 -10.672 -0.281 595 HG3 ARG 109 3HG ARG 109 5.555 -11.164 -1.501 596 HD2 ARG 109 2HD ARG 109 5.338 -8.975 -2.341 597 HD3 ARG 109 3HD ARG 109 5.825 -8.231 -0.825 598 HE ARG 109 HE ARG 109 8.153 -8.986 -1.268 599 HH11 ARG 109 1HH1 ARG 109 6.182 -8.867 -4.240 600 HH12 ARG 109 2HH1 ARG 109 7.499 -8.069 -5.093 601 HH21 ARG 109 1HH2 ARG 109 9.664 -7.909 -2.540 602 HH22 ARG 109 2HH2 ARG 109 9.282 -7.664 -4.247 603 H THR 110 H THR 110 3.676 -12.894 0.938 604 HA THR 110 HA THR 110 1.408 -12.771 2.875 605 HB THR 110 HB THR 110 1.346 -15.216 2.810 606 HG1 THR 110 1HG THR 110 2.519 -16.062 0.890 607 HG21 THR 110 1HG2 THR 110 -0.002 -13.777 1.244 608 HG22 THR 110 2HG2 THR 110 0.324 -15.403 0.639 609 HG23 THR 110 3HG2 THR 110 1.251 -14.010 0.013 610 HA PRO 111 HA PRO 111 3.773 -12.793 6.412 611 HB2 PRO 111 2HB PRO 111 2.401 -15.261 7.475 612 HB3 PRO 111 3HB PRO 111 2.725 -13.703 8.286 613 HG2 PRO 111 2HG PRO 111 0.262 -14.230 7.207 614 HG3 PRO 111 3HG PRO 111 1.001 -12.614 7.003 615 HD2 PRO 111 2HD PRO 111 0.843 -14.841 4.975 616 HD3 PRO 111 3HD PRO 111 0.670 -13.080 4.782 617 H ALA 112 H ALA 112 3.598 -16.351 5.535 618 HA ALA 112 HA ALA 112 5.922 -16.981 6.993 619 HB1 ALA 112 1HB ALA 112 4.769 -18.373 4.529 620 HB2 ALA 112 2HB ALA 112 5.862 -19.100 5.727 621 HB3 ALA 112 3HB ALA 112 4.234 -18.594 6.212 622 H GLN 113 H GLN 113 5.751 -15.560 3.814 623 HA GLN 113 HA GLN 113 8.650 -15.874 3.317 624 HB2 GLN 113 2HB GLN 113 8.202 -14.545 1.258 625 HB3 GLN 113 3HB GLN 113 7.451 -16.141 1.372 626 HG2 GLN 113 2HG GLN 113 5.320 -15.066 2.085 627 HG3 GLN 113 3HG GLN 113 6.091 -13.484 1.893 628 HE21 GLN 113 1HE2 GLN 113 5.968 -16.476 -0.256 629 HE22 GLN 113 2HE2 GLN 113 5.341 -15.559 -1.615 630 H TRP 114 H TRP 114 6.356 -13.218 4.365 631 HA TRP 114 HA TRP 114 8.368 -11.189 4.710 632 HB2 TRP 114 2HB TRP 114 5.879 -10.829 5.118 633 HB3 TRP 114 3HB TRP 114 6.043 -11.747 6.586 634 HD1 TRP 114 HD1 TRP 114 6.861 -10.501 8.630 635 HE1 TRP 114 HE1 TRP 114 7.795 -8.193 9.189 636 HE3 TRP 114 HE3 TRP 114 6.702 -8.463 3.957 637 HZ2 TRP 114 HZ2 TRP 114 8.074 -5.676 7.847 638 HZ3 TRP 114 HZ3 TRP 114 6.913 -6.009 3.738 639 HH2 TRP 114 HH2 TRP 114 7.695 -4.617 5.615 640 H ARG 115 H ARG 115 7.533 -13.969 6.738 641 HA ARG 115 HA ARG 115 9.305 -13.290 8.938 642 HB2 ARG 115 2HB ARG 115 8.416 -16.107 8.222 643 HB3 ARG 115 3HB ARG 115 8.985 -15.520 9.774 644 HG2 ARG 115 2HG ARG 115 6.725 -13.905 9.205 645 HG3 ARG 115 3HG ARG 115 6.305 -15.494 8.602 646 HD2 ARG 115 2HD ARG 115 5.444 -15.236 10.787 647 HD3 ARG 115 3HD ARG 115 6.688 -16.511 10.778 648 HE ARG 115 HE ARG 115 7.776 -13.905 11.500 649 HH11 ARG 115 1HH1 ARG 115 6.111 -16.612 13.037 650 HH12 ARG 115 2HH1 ARG 115 6.781 -16.203 14.600 651 HH21 ARG 115 1HH2 ARG 115 8.693 -13.615 13.313 652 HH22 ARG 115 2HH2 ARG 115 8.345 -14.569 14.741 653 H GLU 116 H GLU 116 9.765 -15.091 5.976 654 HA GLU 116 HA GLU 116 12.388 -16.169 6.683 655 HB2 GLU 116 2HB GLU 116 10.724 -17.418 5.392 656 HB3 GLU 116 3HB GLU 116 10.666 -16.148 4.180 657 HG2 GLU 116 2HG GLU 116 13.143 -16.691 3.697 658 HG3 GLU 116 3HG GLU 116 12.884 -18.137 4.667 659 H ASN 117 H ASN 117 11.416 -14.149 3.826 660 HA ASN 117 HA ASN 117 13.879 -12.575 4.100 661 HB2 ASN 117 2HB ASN 117 14.236 -14.927 2.872 662 HB3 ASN 117 3HB ASN 117 13.622 -14.044 1.487 663 HD21 ASN 117 1HD2 ASN 117 15.977 -15.006 1.096 664 HD22 ASN 117 2HD2 ASN 117 17.268 -13.823 1.362 665 H SER 118 H SER 118 10.795 -12.384 3.625 666 HA SER 118 HA SER 118 9.248 -11.108 2.729 667 HB2 SER 118 2HB SER 118 11.418 -9.033 2.415 668 HB3 SER 118 3HB SER 118 9.665 -8.743 2.395 669 HG SER 118 HG SER 118 10.375 -8.405 4.464 Start of MODEL 4 1 HA PRO 31 HA PRO 31 -0.167 12.387 6.691 2 HB2 PRO 31 2HB PRO 31 0.967 10.000 8.169 3 HB3 PRO 31 3HB PRO 31 1.838 11.272 7.261 4 HG2 PRO 31 2HG PRO 31 1.788 11.383 9.945 5 HG3 PRO 31 3HG PRO 31 1.482 12.879 8.998 6 HD2 PRO 31 2HD PRO 31 -0.531 11.005 10.263 7 HD3 PRO 31 3HD PRO 31 -0.474 12.793 10.334 8 H VAL 32 H VAL 32 -0.516 11.224 4.817 9 HA VAL 32 HA VAL 32 -2.835 9.572 4.640 10 HB VAL 32 HB VAL 32 -2.047 10.977 2.812 11 HG11 VAL 32 1HG1 VAL 32 0.393 10.643 2.882 12 HG12 VAL 32 2HG1 VAL 32 0.198 8.949 2.398 13 HG13 VAL 32 3HG1 VAL 32 -0.250 10.254 1.288 14 HG21 VAL 32 1HG2 VAL 32 -2.095 8.055 2.026 15 HG22 VAL 32 2HG2 VAL 32 -3.534 9.031 2.394 16 HG23 VAL 32 3HG2 VAL 32 -2.518 9.436 0.992 17 H GLU 33 H GLU 33 0.446 8.727 5.186 18 HA GLU 33 HA GLU 33 0.260 5.905 4.501 19 HB2 GLU 33 2HB GLU 33 2.474 5.783 4.954 20 HB3 GLU 33 3HB GLU 33 2.326 7.488 4.599 21 HG2 GLU 33 2HG GLU 33 2.150 7.846 7.140 22 HG3 GLU 33 3HG GLU 33 2.548 6.114 7.230 23 H ALA 34 H ALA 34 -0.086 7.699 7.504 24 HA ALA 34 HA ALA 34 -0.759 5.420 9.177 25 HB1 ALA 34 1HB ALA 34 -1.370 8.365 9.565 26 HB2 ALA 34 2HB ALA 34 -1.265 7.087 10.803 27 HB3 ALA 34 3HB ALA 34 0.186 7.604 9.953 28 H ALA 35 H ALA 35 -2.655 7.754 7.226 29 HA ALA 35 HA ALA 35 -5.232 6.695 7.879 30 HB1 ALA 35 1HB ALA 35 -4.823 8.857 6.693 31 HB2 ALA 35 2HB ALA 35 -4.366 7.938 5.239 32 HB3 ALA 35 3HB ALA 35 -6.006 7.814 5.882 33 H ILE 36 H ILE 36 -2.885 5.642 5.303 34 HA ILE 36 HA ILE 36 -4.477 3.432 4.458 35 HB ILE 36 HB ILE 36 -1.576 4.107 4.209 36 HG12 ILE 36 2HG1 ILE 36 -3.909 3.369 2.429 37 HG13 ILE 36 3HG1 ILE 36 -2.987 4.866 2.511 38 HG21 ILE 36 1HG2 ILE 36 -2.509 1.247 3.745 39 HG22 ILE 36 2HG2 ILE 36 -0.934 1.922 3.279 40 HG23 ILE 36 3HG2 ILE 36 -1.326 1.780 4.965 41 HD11 ILE 36 1HD1 ILE 36 -1.018 3.535 1.528 42 HD12 ILE 36 2HD1 ILE 36 -2.155 2.194 1.292 43 HD13 ILE 36 3HD1 ILE 36 -2.430 3.734 0.462 44 H ARG 37 H ARG 37 -2.003 3.482 7.091 45 HA ARG 37 HA ARG 37 -2.356 0.788 7.863 46 HB2 ARG 37 2HB ARG 37 -2.109 3.015 9.925 47 HB3 ARG 37 3HB ARG 37 -1.717 1.312 10.104 48 HG2 ARG 37 2HG ARG 37 0.033 1.741 8.176 49 HG3 ARG 37 3HG ARG 37 -0.211 3.438 8.580 50 HD2 ARG 37 2HD ARG 37 0.280 2.832 11.015 51 HD3 ARG 37 3HD ARG 37 0.730 1.234 10.415 52 HE ARG 37 HE ARG 37 2.755 2.077 9.616 53 HH11 ARG 37 1HH1 ARG 37 0.904 4.804 10.821 54 HH12 ARG 37 2HH1 ARG 37 2.157 5.930 10.326 55 HH21 ARG 37 1HH2 ARG 37 4.351 3.495 9.428 56 HH22 ARG 37 2HH2 ARG 37 4.053 5.221 9.692 57 H THR 38 H THR 38 -4.411 3.498 9.025 58 HA THR 38 HA THR 38 -6.320 1.809 10.365 59 HB THR 38 HB THR 38 -6.382 4.620 9.288 60 HG1 THR 38 1HG THR 38 -5.554 3.608 11.426 61 HG21 THR 38 1HG2 THR 38 -8.727 3.924 8.958 62 HG22 THR 38 2HG2 THR 38 -8.579 4.998 10.335 63 HG23 THR 38 3HG2 THR 38 -8.767 3.248 10.607 64 H LYS 39 H LYS 39 -6.476 3.067 6.992 65 HA LYS 39 HA LYS 39 -9.078 1.930 6.481 66 HB2 LYS 39 2HB LYS 39 -6.856 3.018 4.702 67 HB3 LYS 39 3HB LYS 39 -8.363 2.435 4.035 68 HG2 LYS 39 2HG LYS 39 -8.139 4.696 6.083 69 HG3 LYS 39 3HG LYS 39 -8.264 4.925 4.343 70 HD2 LYS 39 2HD LYS 39 -10.387 3.643 6.118 71 HD3 LYS 39 3HD LYS 39 -10.414 5.296 5.495 72 HE2 LYS 39 2HE LYS 39 -10.568 4.536 3.200 73 HE3 LYS 39 3HE LYS 39 -10.278 2.860 3.674 74 HZ1 LYS 39 1HZ LYS 39 -12.373 2.934 4.935 75 HZ2 LYS 39 2HZ LYS 39 -12.545 3.147 3.294 76 HZ3 LYS 39 3HZ LYS 39 -12.688 4.432 4.329 77 H LEU 40 H LEU 40 -5.808 0.647 5.795 78 HA LEU 40 HA LEU 40 -6.941 -1.693 4.489 79 HB2 LEU 40 2HB LEU 40 -4.136 -0.806 5.184 80 HB3 LEU 40 3HB LEU 40 -4.479 -2.362 4.476 81 HG LEU 40 HG LEU 40 -3.741 -0.649 2.867 82 HD11 LEU 40 1HD1 LEU 40 -4.995 -2.581 2.047 83 HD12 LEU 40 2HD1 LEU 40 -5.399 -1.146 1.090 84 HD13 LEU 40 3HD1 LEU 40 -6.533 -1.733 2.314 85 HD21 LEU 40 1HD2 LEU 40 -6.466 0.659 3.052 86 HD22 LEU 40 2HD2 LEU 40 -5.145 1.052 1.949 87 HD23 LEU 40 3HD2 LEU 40 -4.944 1.361 3.660 88 H GLU 41 H GLU 41 -5.768 -0.992 7.837 89 HA GLU 41 HA GLU 41 -6.301 -3.620 8.893 90 HB2 GLU 41 2HB GLU 41 -6.674 -0.814 9.956 91 HB3 GLU 41 3HB GLU 41 -7.387 -2.183 10.788 92 HG2 GLU 41 2HG GLU 41 -5.172 -3.215 11.067 93 HG3 GLU 41 3HG GLU 41 -4.421 -1.794 10.316 94 H GLU 42 H GLU 42 -8.629 -0.913 8.126 95 HA GLU 42 HA GLU 42 -10.928 -2.469 8.801 96 HB2 GLU 42 2HB GLU 42 -11.678 -0.395 8.666 97 HB3 GLU 42 3HB GLU 42 -10.375 0.144 7.626 98 HG2 GLU 42 2HG GLU 42 -11.552 -0.506 5.641 99 HG3 GLU 42 3HG GLU 42 -12.807 -1.336 6.570 100 H ALA 43 H ALA 43 -9.242 -2.186 5.680 101 HA ALA 43 HA ALA 43 -11.228 -3.621 4.234 102 HB1 ALA 43 1HB ALA 43 -9.738 -1.878 3.299 103 HB2 ALA 43 2HB ALA 43 -8.354 -2.990 3.480 104 HB3 ALA 43 3HB ALA 43 -9.675 -3.392 2.370 105 H LEU 44 H LEU 44 -7.961 -4.840 5.323 106 HA LEU 44 HA LEU 44 -8.898 -7.558 4.510 107 HB2 LEU 44 2HB LEU 44 -6.886 -8.122 3.518 108 HB3 LEU 44 3HB LEU 44 -7.480 -6.685 2.726 109 HG LEU 44 HG LEU 44 -5.449 -6.355 4.952 110 HD11 LEU 44 1HD1 LEU 44 -4.524 -8.177 3.601 111 HD12 LEU 44 2HD1 LEU 44 -3.607 -6.683 3.340 112 HD13 LEU 44 3HD1 LEU 44 -4.784 -7.243 2.124 113 HD21 LEU 44 1HD2 LEU 44 -4.706 -4.510 3.537 114 HD22 LEU 44 2HD2 LEU 44 -6.461 -4.399 3.792 115 HD23 LEU 44 3HD2 LEU 44 -5.840 -5.005 2.252 116 H SER 45 H SER 45 -7.529 -5.754 7.020 117 HA SER 45 HA SER 45 -6.671 -6.310 9.070 118 HB2 SER 45 2HB SER 45 -7.641 -9.121 8.644 119 HB3 SER 45 3HB SER 45 -7.228 -8.283 10.127 120 HG SER 45 HG SER 45 -8.969 -6.947 9.885 121 HA PRO 46 HA PRO 46 -2.814 -7.940 6.792 122 HB2 PRO 46 2HB PRO 46 -1.802 -5.633 8.439 123 HB3 PRO 46 3HB PRO 46 -1.219 -6.135 6.852 124 HG2 PRO 46 2HG PRO 46 -2.843 -4.024 7.148 125 HG3 PRO 46 3HG PRO 46 -3.221 -5.202 5.831 126 HD2 PRO 46 2HD PRO 46 -4.477 -4.938 8.572 127 HD3 PRO 46 3HD PRO 46 -5.252 -5.258 6.993 128 H GLU 47 H GLU 47 -0.948 -9.063 7.626 129 HA GLU 47 HA GLU 47 -0.544 -9.249 10.580 130 HB2 GLU 47 2HB GLU 47 1.737 -9.830 8.880 131 HB3 GLU 47 3HB GLU 47 1.249 -10.638 10.261 132 HG2 GLU 47 2HG GLU 47 0.483 -10.659 7.424 133 HG3 GLU 47 3HG GLU 47 1.476 -11.858 8.197 134 H VAL 48 H VAL 48 0.892 -7.966 7.618 135 HA VAL 48 HA VAL 48 2.699 -6.238 9.187 136 HB VAL 48 HB VAL 48 3.903 -6.943 6.693 137 HG11 VAL 48 1HG1 VAL 48 5.447 -8.034 8.176 138 HG12 VAL 48 2HG1 VAL 48 4.945 -6.362 8.682 139 HG13 VAL 48 3HG1 VAL 48 4.211 -7.894 9.471 140 HG21 VAL 48 1HG2 VAL 48 3.613 -9.535 8.293 141 HG22 VAL 48 2HG2 VAL 48 2.558 -9.252 6.881 142 HG23 VAL 48 3HG2 VAL 48 4.343 -9.248 6.778 143 H LEU 49 H LEU 49 2.974 -4.248 8.802 144 HA LEU 49 HA LEU 49 2.676 -3.178 6.062 145 HB2 LEU 49 2HB LEU 49 2.007 -1.809 8.709 146 HB3 LEU 49 3HB LEU 49 2.015 -0.982 7.170 147 HG LEU 49 HG LEU 49 0.112 -3.311 7.590 148 HD11 LEU 49 1HD1 LEU 49 -0.122 -1.804 9.560 149 HD12 LEU 49 2HD1 LEU 49 -1.544 -1.737 8.497 150 HD13 LEU 49 3HD1 LEU 49 -0.332 -0.437 8.474 151 HD21 LEU 49 1HD2 LEU 49 -0.114 -0.688 6.023 152 HD22 LEU 49 2HD2 LEU 49 -1.270 -2.032 6.012 153 HD23 LEU 49 3HD2 LEU 49 0.350 -2.257 5.322 154 H GLU 50 H GLU 50 4.649 -2.362 5.383 155 HA GLU 50 HA GLU 50 5.891 -0.465 7.254 156 HB2 GLU 50 2HB GLU 50 7.577 -2.290 5.560 157 HB3 GLU 50 3HB GLU 50 8.089 -0.891 6.455 158 HG2 GLU 50 2HG GLU 50 7.183 -2.052 8.546 159 HG3 GLU 50 3HG GLU 50 7.152 -3.536 7.616 160 H LEU 51 H LEU 51 5.884 1.404 6.315 161 HA LEU 51 HA LEU 51 5.955 1.730 3.391 162 HB2 LEU 51 2HB LEU 51 3.794 2.384 3.021 163 HB3 LEU 51 3HB LEU 51 3.646 0.965 4.056 164 HG LEU 51 HG LEU 51 3.367 3.842 4.874 165 HD11 LEU 51 1HD1 LEU 51 0.972 3.244 5.225 166 HD12 LEU 51 2HD1 LEU 51 1.304 1.639 4.543 167 HD13 LEU 51 3HD1 LEU 51 1.476 3.107 3.544 168 HD21 LEU 51 1HD2 LEU 51 2.995 1.324 6.529 169 HD22 LEU 51 2HD2 LEU 51 2.451 2.947 7.028 170 HD23 LEU 51 3HD2 LEU 51 4.172 2.630 6.802 171 H ARG 52 H ARG 52 5.584 3.932 2.571 172 HA ARG 52 HA ARG 52 6.454 6.172 4.300 173 HB2 ARG 52 2HB ARG 52 7.992 5.116 1.886 174 HB3 ARG 52 3HB ARG 52 8.349 6.588 2.777 175 HG2 ARG 52 2HG ARG 52 8.740 5.105 4.837 176 HG3 ARG 52 3HG ARG 52 8.632 3.715 3.738 177 HD2 ARG 52 2HD ARG 52 10.707 5.904 3.806 178 HD3 ARG 52 3HD ARG 52 10.906 4.166 4.015 179 HE ARG 52 HE ARG 52 10.609 3.804 1.668 180 HH11 ARG 52 1HH1 ARG 52 10.539 7.289 2.355 181 HH12 ARG 52 2HH1 ARG 52 11.065 7.661 0.718 182 HH21 ARG 52 1HH2 ARG 52 11.353 4.423 -0.321 183 HH22 ARG 52 2HH2 ARG 52 11.320 6.119 -0.773 184 H ASN 53 H ASN 53 5.890 8.173 3.388 185 HA ASN 53 HA ASN 53 5.106 8.171 0.514 186 HB2 ASN 53 2HB ASN 53 3.206 9.015 1.033 187 HB3 ASN 53 3HB ASN 53 3.614 9.113 2.707 188 HD21 ASN 53 1HD2 ASN 53 4.491 11.216 3.482 189 HD22 ASN 53 2HD2 ASN 53 4.267 12.672 2.523 190 H GLU 54 H GLU 54 6.533 8.803 -0.745 191 HA GLU 54 HA GLU 54 9.096 9.869 0.139 192 HB2 GLU 54 2HB GLU 54 8.583 8.128 -1.713 193 HB3 GLU 54 3HB GLU 54 8.087 9.493 -2.704 194 HG2 GLU 54 2HG GLU 54 10.267 9.135 -3.390 195 HG3 GLU 54 3HG GLU 54 10.500 10.434 -2.242 196 H SER 55 H SER 55 6.231 11.289 -0.954 197 HA SER 55 HA SER 55 6.753 13.487 -2.439 198 HB2 SER 55 2HB SER 55 4.673 12.324 -1.592 199 HB3 SER 55 3HB SER 55 4.728 13.456 -0.203 200 HG SER 55 HG SER 55 4.411 15.130 -1.587 201 H GLY 56 H GLY 56 8.210 13.330 0.610 202 HA2 GLY 56 2HA GLY 56 8.253 16.225 1.189 203 HA3 GLY 56 3HA GLY 56 9.310 14.978 1.843 204 H GLY 57 H GLY 57 9.945 13.957 -0.947 205 HA2 GLY 57 2HA GLY 57 11.875 15.981 -1.928 206 HA3 GLY 57 3HA GLY 57 11.626 14.343 -2.538 207 H HIS 58 H HIS 58 11.583 15.187 -4.676 208 HA HIS 58 HA HIS 58 10.623 15.715 -6.615 209 HB2 HIS 58 2HB HIS 58 8.016 15.155 -5.181 210 HB3 HIS 58 3HB HIS 58 8.268 15.098 -6.915 211 HD1 HIS 58 1HD HIS 58 10.085 13.029 -7.743 212 HD2 HIS 58 2HD HIS 58 8.594 12.985 -3.808 213 HE1 HIS 58 1HE HIS 58 10.703 10.778 -6.775 214 H ALA 59 H ALA 59 9.215 17.129 -7.962 215 HA ALA 59 HA ALA 59 9.511 19.876 -6.985 216 HB1 ALA 59 1HB ALA 59 9.144 20.477 -9.326 217 HB2 ALA 59 2HB ALA 59 10.386 19.224 -9.170 218 HB3 ALA 59 3HB ALA 59 8.751 18.792 -9.720 219 H VAL 60 H VAL 60 7.823 19.299 -5.342 220 HA VAL 60 HA VAL 60 5.039 19.876 -6.274 221 HB VAL 60 HB VAL 60 4.207 18.340 -4.569 222 HG11 VAL 60 1HG1 VAL 60 4.859 16.227 -5.580 223 HG12 VAL 60 2HG1 VAL 60 4.662 17.463 -6.833 224 HG13 VAL 60 3HG1 VAL 60 6.287 16.964 -6.313 225 HG21 VAL 60 1HG2 VAL 60 7.107 17.639 -3.983 226 HG22 VAL 60 2HG2 VAL 60 5.996 18.479 -2.881 227 HG23 VAL 60 3HG2 VAL 60 5.680 16.806 -3.348 228 HA PRO 61 HA PRO 61 4.814 22.974 -3.103 229 HB2 PRO 61 2HB PRO 61 2.173 21.881 -2.186 230 HB3 PRO 61 3HB PRO 61 2.596 23.542 -2.694 231 HG2 PRO 61 2HG PRO 61 1.196 21.910 -4.350 232 HG3 PRO 61 3HG PRO 61 2.523 22.930 -5.007 233 HD2 PRO 61 2HD PRO 61 2.642 20.011 -4.173 234 HD3 PRO 61 3HD PRO 61 3.186 20.759 -5.704 235 HA PRO 62 HA PRO 62 6.358 20.799 0.492 236 HB2 PRO 62 2HB PRO 62 6.521 22.806 2.371 237 HB3 PRO 62 3HB PRO 62 7.652 22.616 0.997 238 HG2 PRO 62 2HG PRO 62 5.210 24.404 1.167 239 HG3 PRO 62 3HG PRO 62 6.860 24.834 0.613 240 HD2 PRO 62 2HD PRO 62 4.896 24.213 -1.161 241 HD3 PRO 62 3HD PRO 62 6.573 23.662 -1.436 242 H GLY 63 H GLY 63 5.513 19.621 2.107 243 HA2 GLY 63 2HA GLY 63 3.959 18.703 3.524 244 HA3 GLY 63 3HA GLY 63 3.116 20.248 3.607 245 H SER 64 H SER 64 3.416 19.165 0.311 246 HA SER 64 HA SER 64 0.629 18.153 0.316 247 HB2 SER 64 2HB SER 64 1.595 19.752 -1.466 248 HB3 SER 64 3HB SER 64 2.403 18.309 -2.121 249 HG SER 64 HG SER 64 0.429 18.211 -3.079 250 H GLU 65 H GLU 65 0.225 16.080 0.597 251 HA GLU 65 HA GLU 65 2.345 13.998 0.308 252 HB2 GLU 65 2HB GLU 65 -0.423 13.930 1.566 253 HB3 GLU 65 3HB GLU 65 0.727 12.585 1.503 254 HG2 GLU 65 2HG GLU 65 2.376 13.927 2.787 255 HG3 GLU 65 3HG GLU 65 1.232 15.265 2.876 256 H THR 66 H THR 66 2.511 13.742 -1.961 257 HA THR 66 HA THR 66 0.083 12.783 -3.394 258 HB THR 66 HB THR 66 0.322 14.914 -4.196 259 HG1 THR 66 1HG THR 66 1.035 14.787 -6.230 260 HG21 THR 66 1HG2 THR 66 2.522 15.611 -3.341 261 HG22 THR 66 2HG2 THR 66 2.438 15.911 -5.068 262 HG23 THR 66 3HG2 THR 66 3.333 14.499 -4.483 263 H HIS 67 H HIS 67 3.000 11.680 -2.296 264 HA HIS 67 HA HIS 67 3.487 9.866 -4.632 265 HB2 HIS 67 2HB HIS 67 4.968 12.145 -3.865 266 HB3 HIS 67 3HB HIS 67 5.851 10.806 -3.177 267 HD1 HIS 67 1HD HIS 67 7.661 9.989 -5.050 268 HD2 HIS 67 2HD HIS 67 4.082 11.643 -6.521 269 HE1 HIS 67 1HE HIS 67 7.920 10.076 -7.562 270 H PHE 68 H PHE 68 3.507 7.758 -4.000 271 HA PHE 68 HA PHE 68 3.994 7.211 -1.118 272 HB2 PHE 68 2HB PHE 68 1.607 7.384 -2.475 273 HB3 PHE 68 3HB PHE 68 1.898 5.711 -2.640 274 HD1 PHE 68 1HD PHE 68 -0.485 6.180 -1.628 275 HD2 PHE 68 2HD PHE 68 3.163 6.504 0.658 276 HE1 PHE 68 1HE PHE 68 -1.765 6.025 0.471 277 HE2 PHE 68 2HE PHE 68 1.886 6.204 2.749 278 HZ PHE 68 HZ PHE 68 -0.609 5.994 2.635 279 H ARG 69 H ARG 69 4.705 5.215 -0.381 280 HA ARG 69 HA ARG 69 5.257 3.012 -2.287 281 HB2 ARG 69 2HB ARG 69 7.256 4.632 -2.073 282 HB3 ARG 69 3HB ARG 69 7.397 4.083 -0.410 283 HG2 ARG 69 2HG ARG 69 8.970 2.940 -1.823 284 HG3 ARG 69 3HG ARG 69 7.802 1.765 -1.224 285 HD2 ARG 69 2HD ARG 69 6.846 1.439 -3.390 286 HD3 ARG 69 3HD ARG 69 7.252 3.079 -3.871 287 HE ARG 69 HE ARG 69 9.014 2.240 -4.964 288 HH11 ARG 69 1HH1 ARG 69 8.635 -0.052 -2.349 289 HH12 ARG 69 2HH1 ARG 69 10.283 -0.624 -2.497 290 HH21 ARG 69 1HH2 ARG 69 11.051 1.410 -5.160 291 HH22 ARG 69 2HH2 ARG 69 11.576 0.113 -4.115 292 H VAL 70 H VAL 70 4.515 1.155 -1.399 293 HA VAL 70 HA VAL 70 4.371 0.915 1.588 294 HB VAL 70 HB VAL 70 2.210 0.021 -0.348 295 HG11 VAL 70 1HG1 VAL 70 0.900 -0.175 1.890 296 HG12 VAL 70 2HG1 VAL 70 2.067 -1.426 1.484 297 HG13 VAL 70 3HG1 VAL 70 2.497 -0.214 2.676 298 HG21 VAL 70 1HG2 VAL 70 0.786 1.787 0.647 299 HG22 VAL 70 2HG2 VAL 70 2.207 2.441 1.487 300 HG23 VAL 70 3HG2 VAL 70 2.134 2.436 -0.281 301 H ALA 71 H ALA 71 4.901 -0.945 2.507 302 HA ALA 71 HA ALA 71 4.600 -3.415 0.876 303 HB1 ALA 71 1HB ALA 71 6.193 -4.547 2.406 304 HB2 ALA 71 2HB ALA 71 7.034 -3.143 1.732 305 HB3 ALA 71 3HB ALA 71 6.382 -3.089 3.389 306 H VAL 72 H VAL 72 3.118 -4.594 1.251 307 HA VAL 72 HA VAL 72 1.758 -4.525 3.837 308 HB VAL 72 HB VAL 72 0.512 -3.123 2.298 309 HG11 VAL 72 1HG1 VAL 72 1.265 -3.717 0.132 310 HG12 VAL 72 2HG1 VAL 72 0.596 -5.334 0.320 311 HG13 VAL 72 3HG1 VAL 72 -0.495 -3.939 0.229 312 HG21 VAL 72 1HG2 VAL 72 -1.545 -4.353 2.321 313 HG22 VAL 72 2HG2 VAL 72 -0.585 -5.804 2.747 314 HG23 VAL 72 3HG2 VAL 72 -0.575 -4.409 3.835 315 H VAL 73 H VAL 73 1.533 -6.469 4.584 316 HA VAL 73 HA VAL 73 1.758 -8.844 2.790 317 HB VAL 73 HB VAL 73 3.506 -8.201 5.087 318 HG11 VAL 73 1HG1 VAL 73 3.560 -10.751 3.455 319 HG12 VAL 73 2HG1 VAL 73 4.578 -10.376 4.825 320 HG13 VAL 73 3HG1 VAL 73 2.868 -10.687 5.087 321 HG21 VAL 73 1HG2 VAL 73 4.434 -7.158 3.231 322 HG22 VAL 73 2HG2 VAL 73 5.339 -8.664 3.388 323 HG23 VAL 73 3HG2 VAL 73 4.044 -8.531 2.183 324 H SER 74 H SER 74 0.719 -10.611 3.423 325 HA SER 74 HA SER 74 -1.063 -10.605 5.766 326 HB2 SER 74 2HB SER 74 -2.112 -8.855 4.479 327 HB3 SER 74 3HB SER 74 -2.022 -9.825 2.989 328 HG SER 74 HG SER 74 -3.536 -10.409 5.339 329 H SER 75 H SER 75 -1.944 -12.523 6.157 330 HA SER 75 HA SER 75 -1.466 -14.938 4.753 331 HB2 SER 75 2HB SER 75 -3.844 -14.175 6.506 332 HB3 SER 75 3HB SER 75 -3.329 -15.824 6.097 333 HG SER 75 HG SER 75 -1.961 -13.873 7.664 334 H ARG 76 H ARG 76 -3.653 -12.404 3.844 335 HA ARG 76 HA ARG 76 -5.566 -14.122 2.394 336 HB2 ARG 76 2HB ARG 76 -5.350 -11.116 2.799 337 HB3 ARG 76 3HB ARG 76 -6.575 -11.943 1.869 338 HG2 ARG 76 2HG ARG 76 -7.010 -13.363 4.020 339 HG3 ARG 76 3HG ARG 76 -6.041 -12.140 4.862 340 HD2 ARG 76 2HD ARG 76 -7.588 -10.377 3.958 341 HD3 ARG 76 3HD ARG 76 -8.563 -11.650 3.221 342 HE ARG 76 HE ARG 76 -8.507 -10.814 6.019 343 HH11 ARG 76 1HH1 ARG 76 -9.428 -13.506 3.928 344 HH12 ARG 76 2HH1 ARG 76 -10.563 -14.136 5.089 345 HH21 ARG 76 1HH2 ARG 76 -10.075 -11.624 7.402 346 HH22 ARG 76 2HH2 ARG 76 -10.909 -13.109 6.997 347 H PHE 77 H PHE 77 -2.686 -12.503 1.528 348 HA PHE 77 HA PHE 77 -3.439 -11.918 -1.242 349 HB2 PHE 77 2HB PHE 77 -0.925 -11.551 0.382 350 HB3 PHE 77 3HB PHE 77 -1.007 -11.170 -1.309 351 HD1 PHE 77 1HD PHE 77 -0.100 -9.230 0.731 352 HD2 PHE 77 2HD PHE 77 -4.021 -9.919 -0.938 353 HE1 PHE 77 1HE PHE 77 -0.660 -6.799 1.001 354 HE2 PHE 77 2HE PHE 77 -4.567 -7.542 -0.634 355 HZ PHE 77 HZ PHE 77 -2.891 -5.976 0.325 356 H GLU 78 H GLU 78 -2.389 -14.786 0.354 357 HA GLU 78 HA GLU 78 -0.967 -15.601 -2.021 358 HB2 GLU 78 2HB GLU 78 -0.831 -17.826 -0.855 359 HB3 GLU 78 3HB GLU 78 0.132 -16.515 -0.225 360 HG2 GLU 78 2HG GLU 78 -1.364 -16.237 1.669 361 HG3 GLU 78 3HG GLU 78 -2.489 -17.432 1.007 362 H GLY 79 H GLY 79 -1.523 -17.272 -3.444 363 HA2 GLY 79 2HA GLY 79 -3.051 -18.684 -4.563 364 HA3 GLY 79 3HA GLY 79 -4.382 -18.102 -3.566 365 H LEU 80 H LEU 80 -2.124 -15.859 -5.071 366 HA LEU 80 HA LEU 80 -4.007 -15.059 -7.235 367 HB2 LEU 80 2HB LEU 80 -2.765 -13.254 -5.133 368 HB3 LEU 80 3HB LEU 80 -3.579 -12.708 -6.591 369 HG LEU 80 HG LEU 80 -5.473 -14.159 -5.443 370 HD11 LEU 80 1HD1 LEU 80 -5.590 -13.832 -3.024 371 HD12 LEU 80 2HD1 LEU 80 -4.038 -12.977 -3.041 372 HD13 LEU 80 3HD1 LEU 80 -4.097 -14.704 -3.399 373 HD21 LEU 80 1HD2 LEU 80 -4.699 -11.350 -4.587 374 HD22 LEU 80 2HD2 LEU 80 -6.332 -12.036 -4.438 375 HD23 LEU 80 3HD2 LEU 80 -5.644 -11.757 -6.050 376 H SER 81 H SER 81 -2.923 -14.478 -9.104 377 HA SER 81 HA SER 81 -0.064 -14.556 -9.436 378 HB2 SER 81 2HB SER 81 -2.401 -13.554 -11.071 379 HB3 SER 81 3HB SER 81 -0.763 -13.251 -11.614 380 HG SER 81 HG SER 81 -1.926 -15.177 -12.341 381 HA PRO 82 HA PRO 82 1.263 -10.490 -8.362 382 HB2 PRO 82 2HB PRO 82 2.673 -10.085 -10.971 383 HB3 PRO 82 3HB PRO 82 3.318 -10.053 -9.314 384 HG2 PRO 82 2HG PRO 82 3.769 -12.189 -10.929 385 HG3 PRO 82 3HG PRO 82 3.390 -12.417 -9.189 386 HD2 PRO 82 2HD PRO 82 1.502 -12.615 -11.550 387 HD3 PRO 82 3HD PRO 82 1.737 -13.756 -10.192 388 H LEU 83 H LEU 83 0.591 -10.108 -11.945 389 HA LEU 83 HA LEU 83 -0.506 -7.517 -11.639 390 HB2 LEU 83 2HB LEU 83 0.247 -8.446 -13.794 391 HB3 LEU 83 3HB LEU 83 -1.106 -9.580 -13.793 392 HG LEU 83 HG LEU 83 -2.704 -7.676 -13.918 393 HD11 LEU 83 1HD1 LEU 83 -0.198 -5.940 -14.096 394 HD12 LEU 83 2HD1 LEU 83 -1.433 -5.878 -12.815 395 HD13 LEU 83 3HD1 LEU 83 -1.849 -5.398 -14.459 396 HD21 LEU 83 1HD2 LEU 83 -0.528 -7.527 -16.038 397 HD22 LEU 83 2HD2 LEU 83 -2.219 -7.011 -16.214 398 HD23 LEU 83 3HD2 LEU 83 -1.837 -8.722 -15.980 399 H GLN 84 H GLN 84 -2.162 -10.688 -11.456 400 HA GLN 84 HA GLN 84 -4.813 -9.812 -11.155 401 HB2 GLN 84 2HB GLN 84 -4.107 -12.170 -11.357 402 HB3 GLN 84 3HB GLN 84 -3.404 -12.092 -9.735 403 HG2 GLN 84 2HG GLN 84 -5.748 -11.552 -8.867 404 HG3 GLN 84 3HG GLN 84 -6.345 -11.945 -10.475 405 HE21 GLN 84 1HE2 GLN 84 -7.280 -13.287 -8.309 406 HE22 GLN 84 2HE2 GLN 84 -6.624 -14.931 -8.217 407 H ARG 85 H ARG 85 -2.428 -10.284 -8.424 408 HA ARG 85 HA ARG 85 -4.308 -9.232 -6.480 409 HB2 ARG 85 2HB ARG 85 -2.583 -9.352 -4.861 410 HB3 ARG 85 3HB ARG 85 -2.452 -10.772 -5.890 411 HG2 ARG 85 2HG ARG 85 -0.554 -9.668 -7.103 412 HG3 ARG 85 3HG ARG 85 -0.686 -8.291 -6.026 413 HD2 ARG 85 2HD ARG 85 1.105 -9.623 -5.225 414 HD3 ARG 85 3HD ARG 85 -0.231 -9.847 -4.086 415 HE ARG 85 HE ARG 85 -0.357 -11.938 -6.035 416 HH11 ARG 85 1HH1 ARG 85 1.836 -10.932 -3.474 417 HH12 ARG 85 2HH1 ARG 85 2.499 -12.538 -3.299 418 HH21 ARG 85 1HH2 ARG 85 0.430 -13.981 -5.632 419 HH22 ARG 85 2HH2 ARG 85 1.663 -14.222 -4.414 420 H HIS 86 H HIS 86 -1.700 -7.670 -8.322 421 HA HIS 86 HA HIS 86 -1.916 -5.091 -7.121 422 HB2 HIS 86 2HB HIS 86 -0.855 -6.244 -9.649 423 HB3 HIS 86 3HB HIS 86 -1.142 -4.493 -9.621 424 HD1 HIS 86 1HD HIS 86 0.960 -3.214 -8.828 425 HD2 HIS 86 2HD HIS 86 0.672 -7.116 -7.351 426 HE1 HIS 86 1HE HIS 86 3.023 -3.561 -7.363 427 H ARG 87 H ARG 87 -3.555 -6.315 -10.129 428 HA ARG 87 HA ARG 87 -5.319 -4.119 -10.506 429 HB2 ARG 87 2HB ARG 87 -5.489 -7.069 -11.216 430 HB3 ARG 87 3HB ARG 87 -6.800 -5.971 -11.613 431 HG2 ARG 87 2HG ARG 87 -3.943 -5.432 -12.501 432 HG3 ARG 87 3HG ARG 87 -5.073 -6.423 -13.431 433 HD2 ARG 87 2HD ARG 87 -6.666 -4.515 -13.562 434 HD3 ARG 87 3HD ARG 87 -5.555 -3.520 -12.618 435 HE ARG 87 HE ARG 87 -4.308 -3.116 -14.495 436 HH11 ARG 87 1HH1 ARG 87 -6.447 -5.808 -15.402 437 HH12 ARG 87 2HH1 ARG 87 -5.651 -5.910 -16.972 438 HH21 ARG 87 1HH2 ARG 87 -3.404 -3.432 -16.512 439 HH22 ARG 87 2HH2 ARG 87 -4.107 -4.676 -17.536 440 H LEU 88 H LEU 88 -5.750 -6.951 -8.364 441 HA LEU 88 HA LEU 88 -8.430 -6.369 -7.580 442 HB2 LEU 88 2HB LEU 88 -6.892 -8.414 -7.091 443 HB3 LEU 88 3HB LEU 88 -6.342 -7.516 -5.692 444 HG LEU 88 HG LEU 88 -9.235 -8.305 -6.266 445 HD11 LEU 88 1HD1 LEU 88 -7.198 -9.477 -4.322 446 HD12 LEU 88 2HD1 LEU 88 -7.777 -10.240 -5.821 447 HD13 LEU 88 3HD1 LEU 88 -8.899 -9.971 -4.485 448 HD21 LEU 88 1HD2 LEU 88 -9.568 -7.799 -3.821 449 HD22 LEU 88 2HD2 LEU 88 -9.248 -6.376 -4.798 450 HD23 LEU 88 3HD2 LEU 88 -7.949 -7.062 -3.791 451 H VAL 89 H VAL 89 -5.332 -5.356 -6.012 452 HA VAL 89 HA VAL 89 -6.574 -3.558 -4.142 453 HB VAL 89 HB VAL 89 -3.775 -3.455 -5.343 454 HG11 VAL 89 1HG1 VAL 89 -4.276 -1.279 -4.338 455 HG12 VAL 89 2HG1 VAL 89 -4.899 -2.066 -2.870 456 HG13 VAL 89 3HG1 VAL 89 -3.176 -2.170 -3.291 457 HG21 VAL 89 1HG2 VAL 89 -4.777 -4.581 -2.688 458 HG22 VAL 89 2HG2 VAL 89 -4.259 -5.549 -4.082 459 HG23 VAL 89 3HG2 VAL 89 -3.087 -4.532 -3.248 460 H HIS 90 H HIS 90 -5.608 -3.020 -7.450 461 HA HIS 90 HA HIS 90 -5.765 -0.112 -7.343 462 HB2 HIS 90 2HB HIS 90 -5.350 -2.020 -9.669 463 HB3 HIS 90 3HB HIS 90 -5.220 -0.276 -9.762 464 HD1 HIS 90 1HD HIS 90 -2.739 -1.641 -10.681 465 HD2 HIS 90 2HD HIS 90 -3.473 -0.896 -6.604 466 HE1 HIS 90 1HE HIS 90 -0.466 -1.517 -9.556 467 H ALA 91 H ALA 91 -7.927 -2.686 -8.466 468 HA ALA 91 HA ALA 91 -9.948 -0.767 -9.400 469 HB1 ALA 91 1HB ALA 91 -9.538 -2.887 -10.614 470 HB2 ALA 91 2HB ALA 91 -10.028 -3.800 -9.172 471 HB3 ALA 91 3HB ALA 91 -11.203 -2.768 -10.016 472 H ALA 92 H ALA 92 -9.587 -3.072 -6.658 473 HA ALA 92 HA ALA 92 -12.220 -2.297 -5.656 474 HB1 ALA 92 1HB ALA 92 -10.227 -4.226 -4.436 475 HB2 ALA 92 2HB ALA 92 -11.963 -4.110 -4.120 476 HB3 ALA 92 3HB ALA 92 -11.396 -4.659 -5.709 477 H LEU 93 H LEU 93 -8.831 -1.433 -4.787 478 HA LEU 93 HA LEU 93 -10.024 0.173 -2.519 479 HB2 LEU 93 2HB LEU 93 -7.209 -0.934 -2.820 480 HB3 LEU 93 3HB LEU 93 -7.639 0.270 -1.678 481 HG LEU 93 HG LEU 93 -7.525 -1.564 -0.417 482 HD11 LEU 93 1HD1 LEU 93 -9.724 -1.945 0.509 483 HD12 LEU 93 2HD1 LEU 93 -10.507 -1.323 -0.945 484 HD13 LEU 93 3HD1 LEU 93 -9.548 -0.233 0.085 485 HD21 LEU 93 1HD2 LEU 93 -9.297 -3.032 -2.358 486 HD22 LEU 93 2HD2 LEU 93 -8.559 -3.687 -0.878 487 HD23 LEU 93 3HD2 LEU 93 -7.525 -3.143 -2.221 488 H ALA 94 H ALA 94 -9.973 0.925 -5.437 489 HA ALA 94 HA ALA 94 -7.759 2.288 -6.067 490 HB1 ALA 94 1HB ALA 94 -9.078 3.231 -7.939 491 HB2 ALA 94 2HB ALA 94 -9.730 1.624 -7.561 492 HB3 ALA 94 3HB ALA 94 -10.574 3.074 -6.999 493 H GLU 95 H GLU 95 -10.474 4.077 -4.510 494 HA GLU 95 HA GLU 95 -8.858 6.555 -4.672 495 HB2 GLU 95 2HB GLU 95 -11.659 6.031 -3.655 496 HB3 GLU 95 3HB GLU 95 -10.838 7.596 -3.571 497 HG2 GLU 95 2HG GLU 95 -10.571 7.666 -6.004 498 HG3 GLU 95 3HG GLU 95 -11.300 6.063 -6.171 499 H GLU 96 H GLU 96 -9.197 3.866 -2.483 500 HA GLU 96 HA GLU 96 -8.742 5.303 -0.044 501 HB2 GLU 96 2HB GLU 96 -8.852 2.348 -0.872 502 HB3 GLU 96 3HB GLU 96 -8.883 3.016 0.713 503 HG2 GLU 96 2HG GLU 96 -11.033 4.264 0.032 504 HG3 GLU 96 3HG GLU 96 -11.027 3.256 -1.394 505 H LEU 97 H LEU 97 -6.895 3.255 -2.407 506 HA LEU 97 HA LEU 97 -4.329 3.705 -1.106 507 HB2 LEU 97 2HB LEU 97 -5.692 1.951 -2.991 508 HB3 LEU 97 3HB LEU 97 -4.361 2.596 -3.789 509 HG LEU 97 HG LEU 97 -3.889 0.414 -2.751 510 HD11 LEU 97 1HD1 LEU 97 -1.970 1.762 -3.102 511 HD12 LEU 97 2HD1 LEU 97 -1.783 0.985 -1.528 512 HD13 LEU 97 3HD1 LEU 97 -2.246 2.700 -1.619 513 HD21 LEU 97 1HD2 LEU 97 -5.358 0.651 -0.778 514 HD22 LEU 97 2HD2 LEU 97 -4.197 1.786 -0.062 515 HD23 LEU 97 3HD2 LEU 97 -3.724 0.103 -0.359 516 H GLY 98 H GLY 98 -5.981 4.666 -4.156 517 HA2 GLY 98 2HA GLY 98 -3.574 6.219 -4.987 518 HA3 GLY 98 3HA GLY 98 -4.665 5.318 -6.034 519 H GLY 99 H GLY 99 -6.542 6.918 -3.790 520 HA2 GLY 99 2HA GLY 99 -7.649 8.779 -5.713 521 HA3 GLY 99 3HA GLY 99 -7.996 8.745 -3.981 522 HA PRO 100 HA PRO 100 -5.741 12.350 -3.374 523 HB2 PRO 100 2HB PRO 100 -4.383 12.168 -1.036 524 HB3 PRO 100 3HB PRO 100 -6.158 11.898 -1.152 525 HG2 PRO 100 2HG PRO 100 -4.017 9.763 -1.129 526 HG3 PRO 100 3HG PRO 100 -5.457 9.900 -0.069 527 HD2 PRO 100 2HD PRO 100 -5.489 8.403 -2.332 528 HD3 PRO 100 3HD PRO 100 -6.927 9.342 -1.831 529 H VAL 101 H VAL 101 -3.402 9.654 -3.603 530 HA VAL 101 HA VAL 101 -1.090 11.351 -4.135 531 HB VAL 101 HB VAL 101 -0.007 9.160 -4.214 532 HG11 VAL 101 1HG1 VAL 101 -1.803 9.305 -1.782 533 HG12 VAL 101 2HG1 VAL 101 -0.170 8.652 -1.884 534 HG13 VAL 101 3HG1 VAL 101 -0.411 10.395 -2.052 535 HG21 VAL 101 1HG2 VAL 101 -1.763 7.717 -5.108 536 HG22 VAL 101 2HG2 VAL 101 -1.130 7.106 -3.584 537 HG23 VAL 101 3HG2 VAL 101 -2.700 7.915 -3.607 538 H HIS 102 H HIS 102 -0.254 11.853 -6.001 539 HA HIS 102 HA HIS 102 -1.680 11.075 -8.446 540 HB2 HIS 102 2HB HIS 102 -0.989 13.013 -9.230 541 HB3 HIS 102 3HB HIS 102 -0.299 13.351 -7.623 542 HD1 HIS 102 1HD HIS 102 0.917 13.125 -11.131 543 HD2 HIS 102 2HD HIS 102 2.128 12.206 -7.219 544 HE1 HIS 102 1HE HIS 102 3.451 12.906 -11.237 545 H ALA 103 H ALA 103 1.182 10.107 -6.640 546 HA ALA 103 HA ALA 103 1.560 7.890 -8.590 547 HB1 ALA 103 1HB ALA 103 3.309 9.763 -8.880 548 HB2 ALA 103 2HB ALA 103 3.886 9.252 -7.266 549 HB3 ALA 103 3HB ALA 103 3.919 8.118 -8.608 550 H LEU 104 H LEU 104 2.234 5.985 -7.752 551 HA LEU 104 HA LEU 104 2.954 5.592 -5.024 552 HB2 LEU 104 2HB LEU 104 1.138 4.330 -4.314 553 HB3 LEU 104 3HB LEU 104 0.545 5.918 -4.751 554 HG LEU 104 HG LEU 104 0.144 3.313 -6.303 555 HD11 LEU 104 1HD1 LEU 104 -1.039 3.498 -4.159 556 HD12 LEU 104 2HD1 LEU 104 -2.179 3.575 -5.521 557 HD13 LEU 104 3HD1 LEU 104 -1.708 5.056 -4.641 558 HD21 LEU 104 1HD2 LEU 104 -1.563 4.607 -7.595 559 HD22 LEU 104 2HD2 LEU 104 0.081 5.129 -7.935 560 HD23 LEU 104 3HD2 LEU 104 -0.954 6.110 -6.865 561 H ALA 105 H ALA 105 3.836 3.581 -4.586 562 HA ALA 105 HA ALA 105 3.276 1.348 -6.475 563 HB1 ALA 105 1HB ALA 105 5.627 0.620 -6.377 564 HB2 ALA 105 2HB ALA 105 5.416 2.186 -7.186 565 HB3 ALA 105 3HB ALA 105 6.036 2.125 -5.530 566 H ILE 106 H ILE 106 2.663 -0.502 -5.528 567 HA ILE 106 HA ILE 106 3.234 -0.896 -2.631 568 HB ILE 106 HB ILE 106 1.436 -2.427 -2.535 569 HG12 ILE 106 2HG1 ILE 106 1.187 -2.158 -5.550 570 HG13 ILE 106 3HG1 ILE 106 1.593 -3.594 -4.624 571 HG21 ILE 106 1HG2 ILE 106 -0.416 -0.939 -2.798 572 HG22 ILE 106 2HG2 ILE 106 1.002 0.016 -2.347 573 HG23 ILE 106 3HG2 ILE 106 0.438 0.012 -4.035 574 HD11 ILE 106 1HD1 ILE 106 -1.099 -2.222 -4.710 575 HD12 ILE 106 2HD1 ILE 106 -0.649 -3.802 -5.374 576 HD13 ILE 106 3HD1 ILE 106 -0.677 -3.571 -3.612 577 H GLN 107 H GLN 107 3.914 -2.842 -1.822 578 HA GLN 107 HA GLN 107 4.477 -5.068 -3.714 579 HB2 GLN 107 2HB GLN 107 6.109 -4.251 -1.261 580 HB3 GLN 107 3HB GLN 107 6.319 -5.763 -2.151 581 HG2 GLN 107 2HG GLN 107 6.938 -4.514 -4.189 582 HG3 GLN 107 3HG GLN 107 6.712 -2.977 -3.360 583 HE21 GLN 107 1HE2 GLN 107 9.192 -4.085 -4.637 584 HE22 GLN 107 2HE2 GLN 107 10.366 -4.257 -3.338 585 H ALA 108 H ALA 108 3.035 -6.633 -3.321 586 HA ALA 108 HA ALA 108 1.607 -6.785 -0.702 587 HB1 ALA 108 1HB ALA 108 0.274 -5.857 -2.504 588 HB2 ALA 108 2HB ALA 108 0.658 -7.244 -3.549 589 HB3 ALA 108 3HB ALA 108 -0.319 -7.474 -2.083 590 H ARG 109 H ARG 109 2.470 -8.456 0.401 591 HA ARG 109 HA ARG 109 3.176 -11.029 -1.014 592 HB2 ARG 109 2HB ARG 109 4.860 -8.944 0.262 593 HB3 ARG 109 3HB ARG 109 5.192 -10.546 0.851 594 HG2 ARG 109 2HG ARG 109 6.692 -10.053 -0.910 595 HG3 ARG 109 3HG ARG 109 5.593 -11.251 -1.566 596 HD2 ARG 109 2HD ARG 109 4.503 -9.683 -2.971 597 HD3 ARG 109 3HD ARG 109 5.184 -8.299 -2.083 598 HE ARG 109 HE ARG 109 7.237 -10.022 -3.201 599 HH11 ARG 109 1HH1 ARG 109 5.074 -7.499 -4.470 600 HH12 ARG 109 2HH1 ARG 109 6.436 -6.781 -5.311 601 HH21 ARG 109 1HH2 ARG 109 8.735 -9.062 -4.558 602 HH22 ARG 109 2HH2 ARG 109 8.262 -7.599 -5.405 603 H THR 110 H THR 110 4.200 -12.628 0.815 604 HA THR 110 HA THR 110 1.891 -13.147 2.597 605 HB THR 110 HB THR 110 2.322 -15.444 2.429 606 HG1 THR 110 1HG THR 110 4.120 -16.227 1.236 607 HG21 THR 110 1HG2 THR 110 1.271 -14.441 0.415 608 HG22 THR 110 2HG2 THR 110 2.213 -15.904 0.057 609 HG23 THR 110 3HG2 THR 110 2.876 -14.321 -0.341 610 HA PRO 111 HA PRO 111 4.318 -13.118 6.351 611 HB2 PRO 111 2HB PRO 111 3.070 -15.235 7.732 612 HB3 PRO 111 3HB PRO 111 2.654 -13.522 7.790 613 HG2 PRO 111 2HG PRO 111 1.365 -15.730 6.236 614 HG3 PRO 111 3HG PRO 111 0.612 -14.263 6.910 615 HD2 PRO 111 2HD PRO 111 1.188 -14.563 4.236 616 HD3 PRO 111 3HD PRO 111 1.198 -12.977 5.062 617 H ALA 112 H ALA 112 3.703 -16.347 4.760 618 HA ALA 112 HA ALA 112 5.807 -17.626 6.120 619 HB1 ALA 112 1HB ALA 112 5.662 -19.305 4.281 620 HB2 ALA 112 2HB ALA 112 4.064 -18.820 4.857 621 HB3 ALA 112 3HB ALA 112 4.685 -18.168 3.323 622 H GLN 113 H GLN 113 6.066 -15.530 3.235 623 HA GLN 113 HA GLN 113 8.980 -16.092 3.106 624 HB2 GLN 113 2HB GLN 113 9.082 -14.902 1.151 625 HB3 GLN 113 3HB GLN 113 7.581 -15.819 1.069 626 HG2 GLN 113 2HG GLN 113 6.530 -13.602 2.032 627 HG3 GLN 113 3HG GLN 113 7.993 -12.844 1.426 628 HE21 GLN 113 1HE2 GLN 113 8.353 -14.304 -1.073 629 HE22 GLN 113 2HE2 GLN 113 6.947 -13.953 -2.049 630 H TRP 114 H TRP 114 6.845 -13.415 4.357 631 HA TRP 114 HA TRP 114 9.013 -11.695 5.040 632 HB2 TRP 114 2HB TRP 114 6.563 -11.060 5.208 633 HB3 TRP 114 3HB TRP 114 6.462 -12.038 6.656 634 HD1 TRP 114 HD1 TRP 114 7.689 -11.038 8.797 635 HE1 TRP 114 HE1 TRP 114 8.067 -8.584 9.471 636 HE3 TRP 114 HE3 TRP 114 7.509 -8.907 4.151 637 HZ2 TRP 114 HZ2 TRP 114 7.705 -6.036 8.196 638 HZ3 TRP 114 HZ3 TRP 114 7.391 -6.437 3.919 639 HH2 TRP 114 HH2 TRP 114 7.452 -4.987 5.925 640 H ARG 115 H ARG 115 7.636 -14.446 6.750 641 HA ARG 115 HA ARG 115 9.101 -14.002 9.223 642 HB2 ARG 115 2HB ARG 115 7.868 -15.754 10.129 643 HB3 ARG 115 3HB ARG 115 6.784 -15.109 8.900 644 HG2 ARG 115 2HG ARG 115 7.588 -16.959 7.367 645 HG3 ARG 115 3HG ARG 115 8.400 -17.681 8.757 646 HD2 ARG 115 2HD ARG 115 5.429 -17.005 8.683 647 HD3 ARG 115 3HD ARG 115 6.082 -18.579 8.209 648 HE ARG 115 HE ARG 115 7.128 -18.300 10.720 649 HH11 ARG 115 1HH1 ARG 115 3.831 -18.181 9.561 650 HH12 ARG 115 2HH1 ARG 115 3.178 -18.669 11.106 651 HH21 ARG 115 1HH2 ARG 115 6.326 -19.058 12.535 652 HH22 ARG 115 2HH2 ARG 115 4.599 -19.311 12.742 653 H GLU 116 H GLU 116 9.651 -16.095 6.475 654 HA GLU 116 HA GLU 116 11.883 -17.538 7.724 655 HB2 GLU 116 2HB GLU 116 10.180 -18.547 6.151 656 HB3 GLU 116 3HB GLU 116 10.810 -17.517 4.879 657 HG2 GLU 116 2HG GLU 116 11.768 -19.597 4.494 658 HG3 GLU 116 3HG GLU 116 13.072 -18.659 5.202 659 H ASN 117 H ASN 117 11.478 -15.050 5.165 660 HA ASN 117 HA ASN 117 14.465 -14.921 4.831 661 HB2 ASN 117 2HB ASN 117 13.168 -16.416 3.267 662 HB3 ASN 117 3HB ASN 117 12.252 -15.014 2.732 663 HD21 ASN 117 1HD2 ASN 117 15.517 -16.440 2.858 664 HD22 ASN 117 2HD2 ASN 117 16.020 -15.689 1.351 665 H SER 118 H SER 118 11.635 -13.076 5.280 666 HA SER 118 HA SER 118 10.937 -10.955 4.995 667 HB2 SER 118 2HB SER 118 13.727 -10.047 4.338 668 HB3 SER 118 3HB SER 118 12.360 -9.071 4.887 669 HG SER 118 HG SER 118 12.508 -9.985 6.908 Start of MODEL 5 1 HA PRO 31 HA PRO 31 -0.154 12.371 5.885 2 HB2 PRO 31 2HB PRO 31 0.787 10.081 7.611 3 HB3 PRO 31 3HB PRO 31 1.757 11.287 6.706 4 HG2 PRO 31 2HG PRO 31 1.417 11.571 9.375 5 HG3 PRO 31 3HG PRO 31 1.245 12.999 8.305 6 HD2 PRO 31 2HD PRO 31 -0.922 11.250 9.475 7 HD3 PRO 31 3HD PRO 31 -0.847 13.039 9.410 8 H VAL 32 H VAL 32 -0.408 11.162 4.049 9 HA VAL 32 HA VAL 32 -2.531 9.403 3.621 10 HB VAL 32 HB VAL 32 -1.393 10.528 1.827 11 HG11 VAL 32 1HG1 VAL 32 0.987 8.663 2.243 12 HG12 VAL 32 2HG1 VAL 32 0.762 9.805 0.905 13 HG13 VAL 32 3HG1 VAL 32 0.960 10.414 2.547 14 HG21 VAL 32 1HG2 VAL 32 -1.064 7.540 1.399 15 HG22 VAL 32 2HG2 VAL 32 -2.620 8.398 1.335 16 HG23 VAL 32 3HG2 VAL 32 -1.344 8.784 0.163 17 H GLU 33 H GLU 33 0.505 8.606 5.008 18 HA GLU 33 HA GLU 33 0.351 5.752 4.449 19 HB2 GLU 33 2HB GLU 33 2.554 5.657 4.981 20 HB3 GLU 33 3HB GLU 33 2.395 7.340 4.508 21 HG2 GLU 33 2HG GLU 33 2.034 7.660 7.154 22 HG3 GLU 33 3HG GLU 33 2.922 6.112 7.131 23 H ALA 34 H ALA 34 -0.310 7.830 7.132 24 HA ALA 34 HA ALA 34 -1.065 5.695 8.989 25 HB1 ALA 34 1HB ALA 34 -0.135 7.924 9.661 26 HB2 ALA 34 2HB ALA 34 -1.623 8.688 9.073 27 HB3 ALA 34 3HB ALA 34 -1.670 7.529 10.429 28 H ALA 35 H ALA 35 -2.707 7.785 6.613 29 HA ALA 35 HA ALA 35 -5.412 7.035 7.156 30 HB1 ALA 35 1HB ALA 35 -5.859 7.863 4.921 31 HB2 ALA 35 2HB ALA 35 -4.646 8.929 5.670 32 HB3 ALA 35 3HB ALA 35 -4.165 7.713 4.454 33 H ILE 36 H ILE 36 -3.216 5.711 4.596 34 HA ILE 36 HA ILE 36 -4.852 3.501 3.914 35 HB ILE 36 HB ILE 36 -2.944 4.291 2.599 36 HG12 ILE 36 2HG1 ILE 36 -2.982 1.338 3.352 37 HG13 ILE 36 3HG1 ILE 36 -3.841 2.133 2.030 38 HG21 ILE 36 1HG2 ILE 36 -0.670 3.840 3.059 39 HG22 ILE 36 2HG2 ILE 36 -1.379 4.598 4.462 40 HG23 ILE 36 3HG2 ILE 36 -1.059 2.851 4.482 41 HD11 ILE 36 1HD1 ILE 36 -1.539 2.695 1.073 42 HD12 ILE 36 2HD1 ILE 36 -0.862 1.592 2.313 43 HD13 ILE 36 3HD1 ILE 36 -1.976 0.962 1.082 44 H ARG 37 H ARG 37 -2.149 3.630 6.323 45 HA ARG 37 HA ARG 37 -2.347 0.995 7.289 46 HB2 ARG 37 2HB ARG 37 -0.659 2.515 8.063 47 HB3 ARG 37 3HB ARG 37 -1.861 3.565 8.832 48 HG2 ARG 37 2HG ARG 37 -2.376 1.912 10.510 49 HG3 ARG 37 3HG ARG 37 -1.480 0.657 9.635 50 HD2 ARG 37 2HD ARG 37 -0.236 1.451 11.522 51 HD3 ARG 37 3HD ARG 37 0.623 1.810 10.025 52 HE ARG 37 HE ARG 37 -0.908 3.794 11.711 53 HH11 ARG 37 1HH1 ARG 37 1.967 3.217 9.732 54 HH12 ARG 37 2HH1 ARG 37 2.547 4.821 10.063 55 HH21 ARG 37 1HH2 ARG 37 -0.112 5.753 12.012 56 HH22 ARG 37 2HH2 ARG 37 1.288 6.301 11.101 57 H THR 38 H THR 38 -4.329 3.700 8.553 58 HA THR 38 HA THR 38 -5.999 2.154 10.246 59 HB THR 38 HB THR 38 -6.699 4.693 8.691 60 HG1 THR 38 1HG THR 38 -5.016 5.119 9.934 61 HG21 THR 38 1HG2 THR 38 -8.767 3.823 9.587 62 HG22 THR 38 2HG2 THR 38 -8.224 5.120 10.652 63 HG23 THR 38 3HG2 THR 38 -7.999 3.421 11.136 64 H LYS 39 H LYS 39 -6.683 3.075 6.818 65 HA LYS 39 HA LYS 39 -9.234 1.688 6.848 66 HB2 LYS 39 2HB LYS 39 -7.581 2.895 4.594 67 HB3 LYS 39 3HB LYS 39 -9.187 2.177 4.374 68 HG2 LYS 39 2HG LYS 39 -10.135 3.733 6.057 69 HG3 LYS 39 3HG LYS 39 -8.546 4.500 6.238 70 HD2 LYS 39 2HD LYS 39 -8.587 5.121 3.839 71 HD3 LYS 39 3HD LYS 39 -10.213 4.438 3.681 72 HE2 LYS 39 2HE LYS 39 -9.437 6.676 5.618 73 HE3 LYS 39 3HE LYS 39 -10.111 6.949 4.005 74 HZ1 LYS 39 1HZ LYS 39 -12.122 5.819 4.665 75 HZ2 LYS 39 2HZ LYS 39 -11.813 7.029 5.737 76 HZ3 LYS 39 3HZ LYS 39 -11.508 5.506 6.182 77 H LEU 40 H LEU 40 -5.993 0.605 5.937 78 HA LEU 40 HA LEU 40 -7.002 -1.908 4.854 79 HB2 LEU 40 2HB LEU 40 -4.270 -0.752 5.415 80 HB3 LEU 40 3HB LEU 40 -4.460 -2.433 5.012 81 HG LEU 40 HG LEU 40 -3.905 -0.832 3.117 82 HD11 LEU 40 1HD1 LEU 40 -4.600 -3.159 2.788 83 HD12 LEU 40 2HD1 LEU 40 -5.232 -2.110 1.503 84 HD13 LEU 40 3HD1 LEU 40 -6.308 -2.669 2.802 85 HD21 LEU 40 1HD2 LEU 40 -6.898 -0.273 3.034 86 HD22 LEU 40 2HD2 LEU 40 -5.680 0.209 1.845 87 HD23 LEU 40 3HD2 LEU 40 -5.655 0.924 3.455 88 H GLU 41 H GLU 41 -5.771 -0.892 8.124 89 HA GLU 41 HA GLU 41 -5.926 -3.392 9.422 90 HB2 GLU 41 2HB GLU 41 -5.310 -1.027 10.356 91 HB3 GLU 41 3HB GLU 41 -7.022 -0.725 10.400 92 HG2 GLU 41 2HG GLU 41 -7.194 -2.963 11.638 93 HG3 GLU 41 3HG GLU 41 -5.485 -2.779 11.989 94 H GLU 42 H GLU 42 -8.459 -0.893 8.894 95 HA GLU 42 HA GLU 42 -10.648 -2.394 9.745 96 HB2 GLU 42 2HB GLU 42 -10.255 0.130 8.874 97 HB3 GLU 42 3HB GLU 42 -11.015 -0.502 7.428 98 HG2 GLU 42 2HG GLU 42 -12.104 -0.743 10.257 99 HG3 GLU 42 3HG GLU 42 -12.497 0.607 9.195 100 H ALA 43 H ALA 43 -9.330 -2.297 6.391 101 HA ALA 43 HA ALA 43 -11.424 -3.919 5.333 102 HB1 ALA 43 1HB ALA 43 -8.709 -3.182 4.173 103 HB2 ALA 43 2HB ALA 43 -10.079 -3.852 3.268 104 HB3 ALA 43 3HB ALA 43 -10.221 -2.257 4.013 105 H LEU 44 H LEU 44 -7.964 -4.889 6.027 106 HA LEU 44 HA LEU 44 -8.754 -7.651 5.244 107 HB2 LEU 44 2HB LEU 44 -7.024 -7.905 3.746 108 HB3 LEU 44 3HB LEU 44 -8.208 -6.689 3.342 109 HG LEU 44 HG LEU 44 -6.441 -4.939 4.160 110 HD11 LEU 44 1HD1 LEU 44 -4.833 -6.521 5.229 111 HD12 LEU 44 2HD1 LEU 44 -4.097 -5.689 3.852 112 HD13 LEU 44 3HD1 LEU 44 -4.645 -7.372 3.681 113 HD21 LEU 44 1HD2 LEU 44 -7.215 -5.333 1.919 114 HD22 LEU 44 2HD2 LEU 44 -6.216 -6.782 1.767 115 HD23 LEU 44 3HD2 LEU 44 -5.439 -5.169 1.844 116 H SER 45 H SER 45 -7.559 -6.133 7.784 117 HA SER 45 HA SER 45 -6.042 -6.501 9.450 118 HB2 SER 45 2HB SER 45 -7.098 -9.287 9.065 119 HB3 SER 45 3HB SER 45 -6.062 -8.779 10.390 120 HG SER 45 HG SER 45 -7.569 -7.196 10.937 121 HA PRO 46 HA PRO 46 -2.455 -7.514 6.636 122 HB2 PRO 46 2HB PRO 46 -1.395 -5.254 8.282 123 HB3 PRO 46 3HB PRO 46 -1.184 -5.532 6.560 124 HG2 PRO 46 2HG PRO 46 -2.906 -3.662 7.553 125 HG3 PRO 46 3HG PRO 46 -3.329 -4.614 6.084 126 HD2 PRO 46 2HD PRO 46 -4.280 -4.934 8.915 127 HD3 PRO 46 3HD PRO 46 -5.145 -5.212 7.372 128 H GLU 47 H GLU 47 -0.457 -8.550 7.165 129 HA GLU 47 HA GLU 47 0.326 -8.806 9.984 130 HB2 GLU 47 2HB GLU 47 0.479 -10.566 7.799 131 HB3 GLU 47 3HB GLU 47 2.081 -9.871 7.920 132 HG2 GLU 47 2HG GLU 47 2.296 -11.630 9.204 133 HG3 GLU 47 3HG GLU 47 2.018 -10.390 10.423 134 H VAL 48 H VAL 48 1.423 -7.157 6.901 135 HA VAL 48 HA VAL 48 2.688 -5.265 8.777 136 HB VAL 48 HB VAL 48 4.500 -4.852 7.277 137 HG11 VAL 48 1HG1 VAL 48 5.923 -6.567 7.581 138 HG12 VAL 48 2HG1 VAL 48 4.879 -6.530 9.033 139 HG13 VAL 48 3HG1 VAL 48 4.656 -7.815 7.773 140 HG21 VAL 48 1HG2 VAL 48 4.919 -6.924 5.618 141 HG22 VAL 48 2HG2 VAL 48 3.138 -6.819 5.663 142 HG23 VAL 48 3HG2 VAL 48 4.081 -5.412 5.127 143 H LEU 49 H LEU 49 2.890 -3.262 7.906 144 HA LEU 49 HA LEU 49 2.916 -3.296 5.151 145 HB2 LEU 49 2HB LEU 49 1.726 -1.090 4.681 146 HB3 LEU 49 3HB LEU 49 0.779 -2.549 4.832 147 HG LEU 49 HG LEU 49 -0.154 -0.369 5.781 148 HD11 LEU 49 1HD1 LEU 49 -1.286 -1.422 7.713 149 HD12 LEU 49 2HD1 LEU 49 -0.191 -2.791 7.617 150 HD13 LEU 49 3HD1 LEU 49 -1.295 -2.464 6.261 151 HD21 LEU 49 1HD2 LEU 49 0.403 0.140 8.079 152 HD22 LEU 49 2HD2 LEU 49 1.831 0.271 7.031 153 HD23 LEU 49 3HD2 LEU 49 1.599 -1.179 8.091 154 H GLU 50 H GLU 50 4.676 -2.439 4.452 155 HA GLU 50 HA GLU 50 6.181 -0.543 6.229 156 HB2 GLU 50 2HB GLU 50 7.216 -2.859 4.694 157 HB3 GLU 50 3HB GLU 50 8.269 -1.628 5.349 158 HG2 GLU 50 2HG GLU 50 6.355 -2.831 7.305 159 HG3 GLU 50 3HG GLU 50 7.635 -3.903 6.727 160 H LEU 51 H LEU 51 6.309 1.154 5.382 161 HA LEU 51 HA LEU 51 6.335 1.638 2.441 162 HB2 LEU 51 2HB LEU 51 4.153 2.385 2.299 163 HB3 LEU 51 3HB LEU 51 4.060 0.955 3.306 164 HG LEU 51 HG LEU 51 3.903 3.818 4.125 165 HD11 LEU 51 1HD1 LEU 51 1.856 2.802 3.109 166 HD12 LEU 51 2HD1 LEU 51 1.604 3.328 4.784 167 HD13 LEU 51 3HD1 LEU 51 1.836 1.604 4.414 168 HD21 LEU 51 1HD2 LEU 51 3.336 3.025 6.443 169 HD22 LEU 51 2HD2 LEU 51 5.000 2.675 5.986 170 HD23 LEU 51 3HD2 LEU 51 3.793 1.378 5.940 171 H ARG 52 H ARG 52 6.406 3.813 1.692 172 HA ARG 52 HA ARG 52 7.449 5.904 3.517 173 HB2 ARG 52 2HB ARG 52 9.375 4.466 3.282 174 HB3 ARG 52 3HB ARG 52 9.183 4.402 1.526 175 HG2 ARG 52 2HG ARG 52 9.813 6.746 1.300 176 HG3 ARG 52 3HG ARG 52 9.821 6.956 3.067 177 HD2 ARG 52 2HD ARG 52 11.649 5.388 3.297 178 HD3 ARG 52 3HD ARG 52 11.603 4.988 1.569 179 HE ARG 52 HE ARG 52 12.064 7.663 1.449 180 HH11 ARG 52 1HH1 ARG 52 13.752 5.200 3.341 181 HH12 ARG 52 2HH1 ARG 52 15.062 6.331 3.650 182 HH21 ARG 52 1HH2 ARG 52 13.827 8.720 1.510 183 HH22 ARG 52 2HH2 ARG 52 15.290 8.121 2.314 184 H ASN 53 H ASN 53 6.986 7.873 2.763 185 HA ASN 53 HA ASN 53 6.428 8.253 -0.157 186 HB2 ASN 53 2HB ASN 53 4.418 8.863 0.605 187 HB3 ASN 53 3HB ASN 53 4.990 9.048 2.239 188 HD21 ASN 53 1HD2 ASN 53 3.975 10.949 2.749 189 HD22 ASN 53 2HD2 ASN 53 4.429 12.464 1.954 190 H GLU 54 H GLU 54 7.890 9.250 -1.246 191 HA GLU 54 HA GLU 54 9.922 10.975 0.089 192 HB2 GLU 54 2HB GLU 54 10.401 8.864 -1.442 193 HB3 GLU 54 3HB GLU 54 10.139 10.016 -2.745 194 HG2 GLU 54 2HG GLU 54 12.342 10.436 -2.550 195 HG3 GLU 54 3HG GLU 54 11.922 11.419 -1.153 196 H SER 55 H SER 55 7.049 11.614 -1.333 197 HA SER 55 HA SER 55 7.274 13.353 -3.409 198 HB2 SER 55 2HB SER 55 5.265 12.459 -2.338 199 HB3 SER 55 3HB SER 55 5.466 13.611 -0.994 200 HG SER 55 HG SER 55 4.919 14.246 -3.724 201 H GLY 56 H GLY 56 8.219 14.285 -0.047 202 HA2 GLY 56 2HA GLY 56 8.150 17.129 -0.536 203 HA3 GLY 56 3HA GLY 56 9.119 16.298 0.689 204 H GLY 57 H GLY 57 10.426 14.669 -1.584 205 HA2 GLY 57 2HA GLY 57 12.637 16.382 -2.342 206 HA3 GLY 57 3HA GLY 57 12.285 14.748 -2.919 207 H HIS 58 H HIS 58 9.466 15.942 -3.716 208 HA HIS 58 HA HIS 58 10.236 16.871 -6.408 209 HB2 HIS 58 2HB HIS 58 7.503 16.207 -5.230 210 HB3 HIS 58 3HB HIS 58 7.817 16.680 -6.888 211 HD1 HIS 58 1HD HIS 58 8.083 14.660 -8.507 212 HD2 HIS 58 2HD HIS 58 9.150 13.812 -4.529 213 HE1 HIS 58 1HE HIS 58 9.024 12.301 -8.491 214 H ALA 59 H ALA 59 10.250 18.433 -3.628 215 HA ALA 59 HA ALA 59 9.966 20.495 -2.850 216 HB1 ALA 59 1HB ALA 59 10.522 22.345 -4.331 217 HB2 ALA 59 2HB ALA 59 11.559 20.949 -4.665 218 HB3 ALA 59 3HB ALA 59 10.211 21.334 -5.758 219 H VAL 60 H VAL 60 7.516 19.054 -3.313 220 HA VAL 60 HA VAL 60 5.511 20.905 -4.273 221 HB VAL 60 HB VAL 60 3.870 19.255 -3.513 222 HG11 VAL 60 1HG1 VAL 60 6.193 18.023 -5.014 223 HG12 VAL 60 2HG1 VAL 60 4.527 17.422 -4.987 224 HG13 VAL 60 3HG1 VAL 60 4.885 19.000 -5.710 225 HG21 VAL 60 1HG2 VAL 60 4.557 17.099 -2.571 226 HG22 VAL 60 2HG2 VAL 60 6.218 17.688 -2.392 227 HG23 VAL 60 3HG2 VAL 60 4.899 18.426 -1.462 228 HA PRO 61 HA PRO 61 4.647 23.203 -0.591 229 HB2 PRO 61 2HB PRO 61 1.719 22.695 -1.135 230 HB3 PRO 61 3HB PRO 61 2.542 24.246 -0.785 231 HG2 PRO 61 2HG PRO 61 1.841 23.635 -3.319 232 HG3 PRO 61 3HG PRO 61 3.460 24.342 -2.993 233 HD2 PRO 61 2HD PRO 61 2.730 21.427 -3.411 234 HD3 PRO 61 3HD PRO 61 4.057 22.382 -4.142 235 HA PRO 62 HA PRO 62 3.347 20.394 2.774 236 HB2 PRO 62 2HB PRO 62 2.045 22.196 4.470 237 HB3 PRO 62 3HB PRO 62 3.793 21.832 4.439 238 HG2 PRO 62 2HG PRO 62 2.346 24.157 3.185 239 HG3 PRO 62 3HG PRO 62 3.934 24.134 3.994 240 HD2 PRO 62 2HD PRO 62 3.622 24.154 1.278 241 HD3 PRO 62 3HD PRO 62 4.992 23.324 2.070 242 H GLY 63 H GLY 63 1.422 19.523 3.700 243 HA2 GLY 63 2HA GLY 63 -0.753 18.741 3.674 244 HA3 GLY 63 3HA GLY 63 -1.210 19.968 2.492 245 H SER 64 H SER 64 0.885 19.263 0.517 246 HA SER 64 HA SER 64 -0.489 17.071 -0.795 247 HB2 SER 64 2HB SER 64 1.893 18.767 -1.622 248 HB3 SER 64 3HB SER 64 1.152 17.514 -2.629 249 HG SER 64 HG SER 64 -0.802 18.652 -2.591 250 H GLU 65 H GLU 65 0.056 15.068 -0.851 251 HA GLU 65 HA GLU 65 2.876 14.130 -0.464 252 HB2 GLU 65 2HB GLU 65 0.402 12.953 0.864 253 HB3 GLU 65 3HB GLU 65 1.974 12.156 0.782 254 HG2 GLU 65 2HG GLU 65 3.024 13.966 2.062 255 HG3 GLU 65 3HG GLU 65 1.513 14.874 2.095 256 H THR 66 H THR 66 3.071 14.017 -2.722 257 HA THR 66 HA THR 66 0.910 12.917 -4.335 258 HB THR 66 HB THR 66 2.164 13.723 -6.223 259 HG1 THR 66 1HG THR 66 4.215 14.177 -6.211 260 HG21 THR 66 1HG2 THR 66 2.624 15.787 -4.033 261 HG22 THR 66 2HG2 THR 66 1.053 15.495 -4.809 262 HG23 THR 66 3HG2 THR 66 2.432 16.069 -5.771 263 H HIS 67 H HIS 67 3.586 11.474 -2.852 264 HA HIS 67 HA HIS 67 4.164 9.608 -5.109 265 HB2 HIS 67 2HB HIS 67 5.566 11.915 -4.428 266 HB3 HIS 67 3HB HIS 67 6.464 10.680 -3.601 267 HD1 HIS 67 1HD HIS 67 8.145 9.358 -5.343 268 HD2 HIS 67 2HD HIS 67 4.901 11.428 -6.944 269 HE1 HIS 67 1HE HIS 67 8.517 9.369 -7.865 270 H PHE 68 H PHE 68 4.141 7.508 -4.390 271 HA PHE 68 HA PHE 68 5.019 7.014 -1.558 272 HB2 PHE 68 2HB PHE 68 2.487 7.408 -2.163 273 HB3 PHE 68 3HB PHE 68 2.538 5.788 -2.769 274 HD1 PHE 68 1HD PHE 68 4.478 6.528 0.354 275 HD2 PHE 68 2HD PHE 68 0.663 5.435 -1.310 276 HE1 PHE 68 1HE PHE 68 3.660 5.920 2.644 277 HE2 PHE 68 2HE PHE 68 -0.135 4.792 0.953 278 HZ PHE 68 HZ PHE 68 1.387 5.004 2.894 279 H ARG 69 H ARG 69 6.048 5.207 -1.044 280 HA ARG 69 HA ARG 69 5.925 2.814 -2.844 281 HB2 ARG 69 2HB ARG 69 8.145 3.873 -1.145 282 HB3 ARG 69 3HB ARG 69 7.858 2.150 -0.999 283 HG2 ARG 69 2HG ARG 69 8.174 3.538 -3.655 284 HG3 ARG 69 3HG ARG 69 9.533 2.891 -2.737 285 HD2 ARG 69 2HD ARG 69 7.276 1.411 -4.097 286 HD3 ARG 69 3HD ARG 69 8.984 1.342 -4.487 287 HE ARG 69 HE ARG 69 7.670 -0.509 -2.974 288 HH11 ARG 69 1HH1 ARG 69 10.686 1.271 -2.352 289 HH12 ARG 69 2HH1 ARG 69 11.155 0.056 -1.184 290 HH21 ARG 69 1HH2 ARG 69 8.547 -2.008 -1.825 291 HH22 ARG 69 2HH2 ARG 69 10.084 -1.723 -0.974 292 H VAL 70 H VAL 70 4.995 1.090 -2.094 293 HA VAL 70 HA VAL 70 4.553 0.803 0.845 294 HB VAL 70 HB VAL 70 2.265 0.064 -0.981 295 HG11 VAL 70 1HG1 VAL 70 0.986 -0.013 1.042 296 HG12 VAL 70 2HG1 VAL 70 2.492 -0.867 1.431 297 HG13 VAL 70 3HG1 VAL 70 2.252 0.785 1.973 298 HG21 VAL 70 1HG2 VAL 70 2.580 2.730 0.454 299 HG22 VAL 70 2HG2 VAL 70 2.437 2.475 -1.297 300 HG23 VAL 70 3HG2 VAL 70 1.068 2.109 -0.246 301 H ALA 71 H ALA 71 5.059 -1.083 1.634 302 HA ALA 71 HA ALA 71 4.710 -3.487 -0.140 303 HB1 ALA 71 1HB ALA 71 7.066 -3.204 0.548 304 HB2 ALA 71 2HB ALA 71 6.568 -3.257 2.254 305 HB3 ALA 71 3HB ALA 71 6.327 -4.675 1.216 306 H VAL 72 H VAL 72 3.100 -4.818 0.430 307 HA VAL 72 HA VAL 72 1.942 -4.603 3.170 308 HB VAL 72 HB VAL 72 -0.292 -4.897 2.309 309 HG11 VAL 72 1HG1 VAL 72 0.967 -2.556 0.846 310 HG12 VAL 72 2HG1 VAL 72 -0.686 -2.682 1.477 311 HG13 VAL 72 3HG1 VAL 72 0.685 -2.580 2.596 312 HG21 VAL 72 1HG2 VAL 72 -0.867 -4.573 -0.072 313 HG22 VAL 72 2HG2 VAL 72 0.855 -4.595 -0.501 314 HG23 VAL 72 3HG2 VAL 72 0.074 -6.044 0.159 315 H VAL 73 H VAL 73 1.502 -6.485 4.194 316 HA VAL 73 HA VAL 73 1.691 -8.998 2.637 317 HB VAL 73 HB VAL 73 3.774 -8.043 4.180 318 HG11 VAL 73 1HG1 VAL 73 4.292 -9.744 5.811 319 HG12 VAL 73 2HG1 VAL 73 2.847 -8.889 6.256 320 HG13 VAL 73 3HG1 VAL 73 2.714 -10.528 5.553 321 HG21 VAL 73 1HG2 VAL 73 3.808 -9.371 2.214 322 HG22 VAL 73 2HG2 VAL 73 5.004 -9.810 3.420 323 HG23 VAL 73 3HG2 VAL 73 3.548 -10.820 3.220 324 H SER 74 H SER 74 0.231 -10.428 3.083 325 HA SER 74 HA SER 74 -1.158 -10.514 5.683 326 HB2 SER 74 2HB SER 74 -2.293 -8.568 4.743 327 HB3 SER 74 3HB SER 74 -2.648 -9.458 3.249 328 HG SER 74 HG SER 74 -4.308 -9.352 5.136 329 H SER 75 H SER 75 -2.465 -12.303 5.997 330 HA SER 75 HA SER 75 -1.975 -14.638 4.367 331 HB2 SER 75 2HB SER 75 -3.546 -15.746 5.946 332 HB3 SER 75 3HB SER 75 -2.232 -14.860 6.723 333 HG SER 75 HG SER 75 -4.989 -14.305 6.648 334 H ARG 76 H ARG 76 -4.114 -12.147 3.783 335 HA ARG 76 HA ARG 76 -6.193 -13.770 2.440 336 HB2 ARG 76 2HB ARG 76 -5.726 -10.768 2.733 337 HB3 ARG 76 3HB ARG 76 -7.033 -11.500 1.824 338 HG2 ARG 76 2HG ARG 76 -7.494 -12.827 4.101 339 HG3 ARG 76 3HG ARG 76 -6.511 -11.538 4.814 340 HD2 ARG 76 2HD ARG 76 -8.149 -9.915 3.577 341 HD3 ARG 76 3HD ARG 76 -9.167 -11.353 3.362 342 HE ARG 76 HE ARG 76 -8.410 -11.092 6.128 343 HH11 ARG 76 1HH1 ARG 76 -10.707 -9.629 3.859 344 HH12 ARG 76 2HH1 ARG 76 -11.649 -8.981 5.204 345 HH21 ARG 76 1HH2 ARG 76 -9.618 -10.277 7.630 346 HH22 ARG 76 2HH2 ARG 76 -11.027 -9.283 7.261 347 H PHE 77 H PHE 77 -3.209 -12.382 1.490 348 HA PHE 77 HA PHE 77 -3.887 -12.069 -1.350 349 HB2 PHE 77 2HB PHE 77 -1.286 -11.751 0.145 350 HB3 PHE 77 3HB PHE 77 -1.607 -11.204 -1.477 351 HD1 PHE 77 1HD PHE 77 -0.528 -9.636 0.953 352 HD2 PHE 77 2HD PHE 77 -4.424 -9.916 -0.877 353 HE1 PHE 77 1HE PHE 77 -1.061 -7.353 1.745 354 HE2 PHE 77 2HE PHE 77 -4.950 -7.638 -0.093 355 HZ PHE 77 HZ PHE 77 -3.281 -6.343 1.226 356 H GLU 78 H GLU 78 -2.965 -14.698 0.569 357 HA GLU 78 HA GLU 78 -1.297 -15.908 -1.459 358 HB2 GLU 78 2HB GLU 78 -1.358 -17.880 0.202 359 HB3 GLU 78 3HB GLU 78 -0.456 -16.438 0.649 360 HG2 GLU 78 2HG GLU 78 -2.251 -15.690 2.103 361 HG3 GLU 78 3HG GLU 78 -3.273 -17.051 1.614 362 H GLY 79 H GLY 79 -1.885 -17.416 -2.936 363 HA2 GLY 79 2HA GLY 79 -3.298 -19.212 -3.755 364 HA3 GLY 79 3HA GLY 79 -4.689 -18.496 -2.939 365 H LEU 80 H LEU 80 -2.712 -16.159 -4.381 366 HA LEU 80 HA LEU 80 -4.538 -15.767 -6.730 367 HB2 LEU 80 2HB LEU 80 -3.282 -13.764 -4.835 368 HB3 LEU 80 3HB LEU 80 -4.085 -13.361 -6.346 369 HG LEU 80 HG LEU 80 -6.025 -14.581 -5.205 370 HD11 LEU 80 1HD1 LEU 80 -6.212 -14.231 -2.756 371 HD12 LEU 80 2HD1 LEU 80 -4.521 -13.740 -2.720 372 HD13 LEU 80 3HD1 LEU 80 -4.964 -15.408 -3.135 373 HD21 LEU 80 1HD2 LEU 80 -6.760 -12.433 -4.201 374 HD22 LEU 80 2HD2 LEU 80 -5.888 -12.119 -5.704 375 HD23 LEU 80 3HD2 LEU 80 -5.070 -11.905 -4.127 376 H SER 81 H SER 81 -3.560 -14.933 -8.626 377 HA SER 81 HA SER 81 -0.720 -15.299 -9.039 378 HB2 SER 81 2HB SER 81 -1.498 -15.406 -11.112 379 HB3 SER 81 3HB SER 81 -3.020 -14.625 -10.693 380 HG SER 81 HG SER 81 -1.378 -13.563 -12.239 381 HA PRO 82 HA PRO 82 0.891 -11.358 -7.626 382 HB2 PRO 82 2HB PRO 82 2.466 -11.360 -10.205 383 HB3 PRO 82 3HB PRO 82 3.008 -11.060 -8.531 384 HG2 PRO 82 2HG PRO 82 3.478 -13.447 -9.726 385 HG3 PRO 82 3HG PRO 82 2.954 -13.383 -8.009 386 HD2 PRO 82 2HD PRO 82 1.279 -13.929 -10.475 387 HD3 PRO 82 3HD PRO 82 1.299 -14.777 -8.896 388 H LEU 83 H LEU 83 0.383 -11.375 -11.214 389 HA LEU 83 HA LEU 83 -0.362 -8.627 -11.396 390 HB2 LEU 83 2HB LEU 83 0.513 -9.924 -13.215 391 HB3 LEU 83 3HB LEU 83 -0.855 -11.025 -13.205 392 HG LEU 83 HG LEU 83 -1.265 -8.060 -13.744 393 HD11 LEU 83 1HD1 LEU 83 -1.002 -8.553 -16.160 394 HD12 LEU 83 2HD1 LEU 83 -0.482 -10.205 -15.764 395 HD13 LEU 83 3HD1 LEU 83 0.508 -8.814 -15.280 396 HD21 LEU 83 1HD2 LEU 83 -3.346 -9.342 -13.503 397 HD22 LEU 83 2HD2 LEU 83 -2.726 -10.615 -14.571 398 HD23 LEU 83 3HD2 LEU 83 -3.105 -9.011 -15.215 399 H GLN 84 H GLN 84 -2.367 -11.571 -10.953 400 HA GLN 84 HA GLN 84 -4.946 -10.430 -11.113 401 HB2 GLN 84 2HB GLN 84 -4.577 -12.827 -10.940 402 HB3 GLN 84 3HB GLN 84 -3.833 -12.640 -9.358 403 HG2 GLN 84 2HG GLN 84 -6.083 -11.830 -8.477 404 HG3 GLN 84 3HG GLN 84 -6.768 -12.322 -10.028 405 HE21 GLN 84 1HE2 GLN 84 -7.594 -13.493 -7.482 406 HE22 GLN 84 2HE2 GLN 84 -7.058 -15.159 -7.518 407 H ARG 85 H ARG 85 -2.890 -10.768 -8.158 408 HA ARG 85 HA ARG 85 -4.825 -9.306 -6.554 409 HB2 ARG 85 2HB ARG 85 -3.448 -9.777 -4.701 410 HB3 ARG 85 3HB ARG 85 -3.430 -11.187 -5.757 411 HG2 ARG 85 2HG ARG 85 -1.180 -10.239 -6.674 412 HG3 ARG 85 3HG ARG 85 -1.216 -9.170 -5.279 413 HD2 ARG 85 2HD ARG 85 -1.415 -11.117 -3.759 414 HD3 ARG 85 3HD ARG 85 -1.440 -12.215 -5.156 415 HE ARG 85 HE ARG 85 0.949 -10.634 -5.231 416 HH11 ARG 85 1HH1 ARG 85 -0.311 -13.427 -3.422 417 HH12 ARG 85 2HH1 ARG 85 1.290 -14.145 -3.416 418 HH21 ARG 85 1HH2 ARG 85 2.817 -11.442 -4.888 419 HH22 ARG 85 2HH2 ARG 85 3.076 -12.917 -3.974 420 H HIS 86 H HIS 86 -1.750 -8.301 -8.068 421 HA HIS 86 HA HIS 86 -1.716 -5.670 -6.883 422 HB2 HIS 86 2HB HIS 86 -0.470 -7.096 -9.188 423 HB3 HIS 86 3HB HIS 86 -0.401 -5.319 -9.188 424 HD1 HIS 86 1HD HIS 86 2.076 -4.828 -8.465 425 HD2 HIS 86 2HD HIS 86 0.209 -7.901 -6.276 426 HE1 HIS 86 1HE HIS 86 3.730 -5.549 -6.694 427 H ARG 87 H ARG 87 -3.126 -6.816 -10.064 428 HA ARG 87 HA ARG 87 -4.345 -4.268 -10.631 429 HB2 ARG 87 2HB ARG 87 -5.019 -7.062 -11.637 430 HB3 ARG 87 3HB ARG 87 -5.811 -5.589 -12.200 431 HG2 ARG 87 2HG ARG 87 -3.548 -4.654 -12.823 432 HG3 ARG 87 3HG ARG 87 -2.841 -6.229 -12.445 433 HD2 ARG 87 2HD ARG 87 -4.359 -7.258 -14.175 434 HD3 ARG 87 3HD ARG 87 -4.938 -5.631 -14.572 435 HE ARG 87 HE ARG 87 -2.055 -5.724 -14.707 436 HH11 ARG 87 1HH1 ARG 87 -4.760 -6.820 -16.700 437 HH12 ARG 87 2HH1 ARG 87 -3.789 -6.729 -18.151 438 HH21 ARG 87 1HH2 ARG 87 -1.017 -5.513 -16.481 439 HH22 ARG 87 2HH2 ARG 87 -1.770 -5.776 -18.057 440 H LEU 88 H LEU 88 -5.577 -7.025 -8.738 441 HA LEU 88 HA LEU 88 -8.144 -6.002 -8.135 442 HB2 LEU 88 2HB LEU 88 -7.014 -8.247 -7.571 443 HB3 LEU 88 3HB LEU 88 -6.400 -7.482 -6.129 444 HG LEU 88 HG LEU 88 -9.358 -7.701 -6.831 445 HD11 LEU 88 1HD1 LEU 88 -7.627 -9.453 -5.021 446 HD12 LEU 88 2HD1 LEU 88 -8.333 -9.935 -6.584 447 HD13 LEU 88 3HD1 LEU 88 -9.387 -9.573 -5.214 448 HD21 LEU 88 1HD2 LEU 88 -9.670 -7.358 -4.385 449 HD22 LEU 88 2HD2 LEU 88 -8.938 -5.959 -5.159 450 HD23 LEU 88 3HD2 LEU 88 -7.924 -7.070 -4.205 451 H VAL 89 H VAL 89 -5.125 -5.494 -6.191 452 HA VAL 89 HA VAL 89 -6.173 -3.540 -4.394 453 HB VAL 89 HB VAL 89 -3.362 -3.837 -5.537 454 HG11 VAL 89 1HG1 VAL 89 -4.254 -2.107 -3.189 455 HG12 VAL 89 2HG1 VAL 89 -2.569 -2.514 -3.587 456 HG13 VAL 89 3HG1 VAL 89 -3.515 -1.534 -4.700 457 HG21 VAL 89 1HG2 VAL 89 -4.465 -4.555 -2.790 458 HG22 VAL 89 2HG2 VAL 89 -4.226 -5.716 -4.106 459 HG23 VAL 89 3HG2 VAL 89 -2.830 -4.873 -3.425 460 H HIS 90 H HIS 90 -4.907 -3.101 -7.628 461 HA HIS 90 HA HIS 90 -4.786 -0.234 -7.544 462 HB2 HIS 90 2HB HIS 90 -4.798 -2.169 -9.902 463 HB3 HIS 90 3HB HIS 90 -4.542 -0.442 -10.056 464 HD1 HIS 90 1HD HIS 90 -2.203 -1.685 -11.233 465 HD2 HIS 90 2HD HIS 90 -2.599 -1.484 -7.034 466 HE1 HIS 90 1HE HIS 90 0.133 -1.889 -10.266 467 H ALA 91 H ALA 91 -7.304 -2.450 -8.848 468 HA ALA 91 HA ALA 91 -9.019 -0.116 -9.471 469 HB1 ALA 91 1HB ALA 91 -8.911 -2.021 -11.029 470 HB2 ALA 91 2HB ALA 91 -9.488 -3.119 -9.754 471 HB3 ALA 91 3HB ALA 91 -10.547 -1.835 -10.375 472 H ALA 92 H ALA 92 -8.974 -2.697 -6.992 473 HA ALA 92 HA ALA 92 -11.555 -1.788 -5.964 474 HB1 ALA 92 1HB ALA 92 -10.832 -4.203 -6.122 475 HB2 ALA 92 2HB ALA 92 -9.693 -3.866 -4.791 476 HB3 ALA 92 3HB ALA 92 -11.433 -3.688 -4.536 477 H LEU 93 H LEU 93 -8.082 -1.299 -5.009 478 HA LEU 93 HA LEU 93 -9.163 -0.073 -2.473 479 HB2 LEU 93 2HB LEU 93 -6.700 -1.576 -3.119 480 HB3 LEU 93 3HB LEU 93 -6.478 -0.189 -2.066 481 HG LEU 93 HG LEU 93 -7.639 -1.097 -0.316 482 HD11 LEU 93 1HD1 LEU 93 -9.181 -3.050 -0.424 483 HD12 LEU 93 2HD1 LEU 93 -9.091 -2.992 -2.200 484 HD13 LEU 93 3HD1 LEU 93 -9.783 -1.635 -1.271 485 HD21 LEU 93 1HD2 LEU 93 -6.838 -3.372 -0.012 486 HD22 LEU 93 2HD2 LEU 93 -5.610 -2.422 -0.874 487 HD23 LEU 93 3HD2 LEU 93 -6.632 -3.576 -1.763 488 H ALA 94 H ALA 94 -8.513 1.279 -5.403 489 HA ALA 94 HA ALA 94 -6.598 3.165 -4.760 490 HB1 ALA 94 1HB ALA 94 -7.486 4.481 -6.657 491 HB2 ALA 94 2HB ALA 94 -7.490 2.751 -7.040 492 HB3 ALA 94 3HB ALA 94 -9.004 3.564 -6.592 493 H GLU 95 H GLU 95 -10.083 3.613 -3.939 494 HA GLU 95 HA GLU 95 -9.654 6.345 -2.974 495 HB2 GLU 95 2HB GLU 95 -11.827 4.300 -2.340 496 HB3 GLU 95 3HB GLU 95 -11.802 5.960 -1.739 497 HG2 GLU 95 2HG GLU 95 -11.767 6.765 -4.129 498 HG3 GLU 95 3HG GLU 95 -12.068 5.088 -4.621 499 H GLU 96 H GLU 96 -9.191 3.158 -1.496 500 HA GLU 96 HA GLU 96 -9.056 4.347 1.182 501 HB2 GLU 96 2HB GLU 96 -9.159 2.120 1.980 502 HB3 GLU 96 3HB GLU 96 -10.612 2.831 1.234 503 HG2 GLU 96 2HG GLU 96 -10.067 1.568 -0.874 504 HG3 GLU 96 3HG GLU 96 -8.720 0.893 0.046 505 H LEU 97 H LEU 97 -6.845 2.851 -1.123 506 HA LEU 97 HA LEU 97 -4.466 3.507 0.322 507 HB2 LEU 97 2HB LEU 97 -5.172 2.613 -2.210 508 HB3 LEU 97 3HB LEU 97 -4.769 4.244 -2.569 509 HG LEU 97 HG LEU 97 -2.947 2.305 -1.061 510 HD11 LEU 97 1HD1 LEU 97 -2.955 3.094 -3.997 511 HD12 LEU 97 2HD1 LEU 97 -3.399 1.507 -3.335 512 HD13 LEU 97 3HD1 LEU 97 -1.731 2.077 -3.191 513 HD21 LEU 97 1HD2 LEU 97 -1.141 3.886 -1.677 514 HD22 LEU 97 2HD2 LEU 97 -2.347 4.660 -0.638 515 HD23 LEU 97 3HD2 LEU 97 -2.348 4.985 -2.385 516 H GLY 98 H GLY 98 -6.687 5.503 -1.691 517 HA2 GLY 98 2HA GLY 98 -7.120 7.582 -0.005 518 HA3 GLY 98 3HA GLY 98 -5.579 8.055 -0.723 519 H GLY 99 H GLY 99 -5.703 7.526 -3.303 520 HA2 GLY 99 2HA GLY 99 -7.344 7.735 -5.225 521 HA3 GLY 99 3HA GLY 99 -8.002 9.117 -4.328 522 HA PRO 100 HA PRO 100 -5.306 11.848 -6.046 523 HB2 PRO 100 2HB PRO 100 -4.608 13.661 -4.208 524 HB3 PRO 100 3HB PRO 100 -6.309 13.080 -4.379 525 HG2 PRO 100 2HG PRO 100 -4.274 11.948 -2.428 526 HG3 PRO 100 3HG PRO 100 -5.844 12.749 -2.037 527 HD2 PRO 100 2HD PRO 100 -5.692 10.095 -2.388 528 HD3 PRO 100 3HD PRO 100 -7.077 11.009 -3.046 529 H VAL 101 H VAL 101 -3.311 9.603 -4.371 530 HA VAL 101 HA VAL 101 -0.772 10.893 -4.570 531 HB VAL 101 HB VAL 101 -0.091 8.392 -4.786 532 HG11 VAL 101 1HG1 VAL 101 0.255 9.745 -2.788 533 HG12 VAL 101 2HG1 VAL 101 -1.431 9.492 -2.293 534 HG13 VAL 101 3HG1 VAL 101 -0.291 8.127 -2.334 535 HG21 VAL 101 1HG2 VAL 101 -2.371 7.486 -5.321 536 HG22 VAL 101 2HG2 VAL 101 -1.578 6.738 -3.934 537 HG23 VAL 101 3HG2 VAL 101 -2.870 7.911 -3.667 538 H HIS 102 H HIS 102 0.141 11.631 -6.347 539 HA HIS 102 HA HIS 102 -0.898 11.140 -8.994 540 HB2 HIS 102 2HB HIS 102 1.505 12.651 -7.939 541 HB3 HIS 102 3HB HIS 102 1.150 12.537 -9.635 542 HD1 HIS 102 1HD HIS 102 -1.024 13.932 -10.556 543 HD2 HIS 102 2HD HIS 102 -0.107 14.297 -6.472 544 HE1 HIS 102 1HE HIS 102 -2.208 16.023 -9.744 545 H ALA 103 H ALA 103 1.932 9.960 -7.175 546 HA ALA 103 HA ALA 103 2.294 7.804 -9.179 547 HB1 ALA 103 1HB ALA 103 4.593 9.131 -7.786 548 HB2 ALA 103 2HB ALA 103 4.669 7.958 -9.099 549 HB3 ALA 103 3HB ALA 103 4.088 9.594 -9.449 550 H LEU 104 H LEU 104 2.855 5.865 -8.371 551 HA LEU 104 HA LEU 104 4.055 5.539 -5.860 552 HB2 LEU 104 2HB LEU 104 2.449 4.142 -4.806 553 HB3 LEU 104 3HB LEU 104 1.814 5.757 -4.973 554 HG LEU 104 HG LEU 104 0.993 3.406 -6.741 555 HD11 LEU 104 1HD1 LEU 104 -0.997 3.336 -5.276 556 HD12 LEU 104 2HD1 LEU 104 -0.280 4.601 -4.236 557 HD13 LEU 104 3HD1 LEU 104 0.481 3.002 -4.359 558 HD21 LEU 104 1HD2 LEU 104 -1.042 4.802 -7.135 559 HD22 LEU 104 2HD2 LEU 104 0.401 5.596 -7.745 560 HD23 LEU 104 3HD2 LEU 104 -0.303 6.131 -6.211 561 H ALA 105 H ALA 105 4.633 3.388 -5.292 562 HA ALA 105 HA ALA 105 4.280 1.275 -7.340 563 HB1 ALA 105 1HB ALA 105 6.679 0.560 -6.932 564 HB2 ALA 105 2HB ALA 105 6.474 2.054 -7.862 565 HB3 ALA 105 3HB ALA 105 6.946 2.140 -6.158 566 H ILE 106 H ILE 106 3.757 -0.673 -6.494 567 HA ILE 106 HA ILE 106 3.771 -0.963 -3.560 568 HB ILE 106 HB ILE 106 1.578 -1.845 -3.591 569 HG12 ILE 106 2HG1 ILE 106 0.250 -1.167 -5.890 570 HG13 ILE 106 3HG1 ILE 106 1.762 -1.764 -6.563 571 HG21 ILE 106 1HG2 ILE 106 1.967 0.596 -3.305 572 HG22 ILE 106 2HG2 ILE 106 1.554 0.826 -5.019 573 HG23 ILE 106 3HG2 ILE 106 0.342 0.191 -3.890 574 HD11 ILE 106 1HD1 ILE 106 1.415 -3.910 -5.294 575 HD12 ILE 106 2HD1 ILE 106 -0.118 -3.261 -4.668 576 HD13 ILE 106 3HD1 ILE 106 0.071 -3.554 -6.400 577 H GLN 107 H GLN 107 3.837 -2.959 -2.676 578 HA GLN 107 HA GLN 107 4.233 -5.363 -4.425 579 HB2 GLN 107 2HB GLN 107 5.906 -4.391 -2.054 580 HB3 GLN 107 3HB GLN 107 5.879 -6.057 -2.588 581 HG2 GLN 107 2HG GLN 107 7.712 -5.346 -3.731 582 HG3 GLN 107 3HG GLN 107 6.462 -5.138 -4.944 583 HE21 GLN 107 1HE2 GLN 107 7.703 -3.626 -6.087 584 HE22 GLN 107 2HE2 GLN 107 8.054 -1.999 -5.474 585 H ALA 108 H ALA 108 2.572 -6.762 -3.987 586 HA ALA 108 HA ALA 108 1.569 -7.004 -1.181 587 HB1 ALA 108 1HB ALA 108 -0.107 -6.532 -2.923 588 HB2 ALA 108 2HB ALA 108 0.381 -8.010 -3.784 589 HB3 ALA 108 3HB ALA 108 -0.359 -8.122 -2.173 590 H ARG 109 H ARG 109 1.998 -8.779 0.034 591 HA ARG 109 HA ARG 109 3.066 -11.292 -1.184 592 HB2 ARG 109 2HB ARG 109 4.610 -9.199 0.336 593 HB3 ARG 109 3HB ARG 109 5.012 -10.855 0.662 594 HG2 ARG 109 2HG ARG 109 6.417 -10.706 -1.103 595 HG3 ARG 109 3HG ARG 109 5.009 -10.716 -2.169 596 HD2 ARG 109 2HD ARG 109 4.896 -8.182 -1.870 597 HD3 ARG 109 3HD ARG 109 6.374 -8.282 -0.926 598 HE ARG 109 HE ARG 109 7.632 -8.531 -2.864 599 HH11 ARG 109 1HH1 ARG 109 4.255 -8.938 -3.951 600 HH12 ARG 109 2HH1 ARG 109 4.758 -8.391 -5.549 601 HH21 ARG 109 1HH2 ARG 109 7.986 -7.890 -4.868 602 HH22 ARG 109 2HH2 ARG 109 6.666 -7.898 -6.050 603 H THR 110 H THR 110 3.843 -12.838 0.581 604 HA THR 110 HA THR 110 1.474 -13.319 2.267 605 HB THR 110 HB THR 110 2.012 -15.614 2.245 606 HG1 THR 110 1HG THR 110 3.978 -16.232 1.029 607 HG21 THR 110 1HG2 THR 110 1.965 -16.183 -0.076 608 HG22 THR 110 2HG2 THR 110 2.739 -14.659 -0.552 609 HG23 THR 110 3HG2 THR 110 1.082 -14.654 0.099 610 HA PRO 111 HA PRO 111 3.723 -12.917 6.076 611 HB2 PRO 111 2HB PRO 111 2.275 -14.515 7.780 612 HB3 PRO 111 3HB PRO 111 1.813 -12.861 7.261 613 HG2 PRO 111 2HG PRO 111 0.818 -15.498 6.176 614 HG3 PRO 111 3HG PRO 111 -0.108 -14.011 6.525 615 HD2 PRO 111 2HD PRO 111 0.709 -14.676 3.990 616 HD3 PRO 111 3HD PRO 111 0.609 -12.981 4.549 617 H ALA 112 H ALA 112 3.190 -16.235 4.694 618 HA ALA 112 HA ALA 112 5.121 -17.456 6.391 619 HB1 ALA 112 1HB ALA 112 5.190 -19.241 4.693 620 HB2 ALA 112 2HB ALA 112 3.527 -18.742 5.019 621 HB3 ALA 112 3HB ALA 112 4.359 -18.190 3.537 622 H GLN 113 H GLN 113 5.626 -15.696 3.275 623 HA GLN 113 HA GLN 113 8.548 -16.151 3.394 624 HB2 GLN 113 2HB GLN 113 8.702 -14.978 1.400 625 HB3 GLN 113 3HB GLN 113 7.264 -15.992 1.274 626 HG2 GLN 113 2HG GLN 113 5.941 -13.938 1.985 627 HG3 GLN 113 3HG GLN 113 7.377 -12.986 1.751 628 HE21 GLN 113 1HE2 GLN 113 8.184 -14.643 -0.769 629 HE22 GLN 113 2HE2 GLN 113 7.086 -14.016 -1.967 630 H TRP 114 H TRP 114 6.282 -13.449 4.399 631 HA TRP 114 HA TRP 114 8.471 -11.728 5.129 632 HB2 TRP 114 2HB TRP 114 6.081 -10.948 4.894 633 HB3 TRP 114 3HB TRP 114 5.736 -11.754 6.420 634 HD1 TRP 114 HD1 TRP 114 6.298 -10.408 8.511 635 HE1 TRP 114 HE1 TRP 114 7.534 -8.226 9.091 636 HE3 TRP 114 HE3 TRP 114 7.538 -8.965 3.796 637 HZ2 TRP 114 HZ2 TRP 114 8.843 -6.120 7.687 638 HZ3 TRP 114 HZ3 TRP 114 8.415 -6.678 3.450 639 HH2 TRP 114 HH2 TRP 114 9.131 -5.266 5.358 640 H ARG 115 H ARG 115 6.795 -14.304 6.931 641 HA ARG 115 HA ARG 115 8.146 -13.690 9.435 642 HB2 ARG 115 2HB ARG 115 7.058 -15.458 10.426 643 HB3 ARG 115 3HB ARG 115 5.926 -14.945 9.187 644 HG2 ARG 115 2HG ARG 115 6.770 -16.820 7.752 645 HG3 ARG 115 3HG ARG 115 7.729 -17.404 9.107 646 HD2 ARG 115 2HD ARG 115 4.694 -17.056 9.171 647 HD3 ARG 115 3HD ARG 115 5.527 -18.554 8.718 648 HE ARG 115 HE ARG 115 6.480 -17.666 11.280 649 HH11 ARG 115 1HH1 ARG 115 3.894 -19.589 9.804 650 HH12 ARG 115 2HH1 ARG 115 3.651 -20.457 11.316 651 HH21 ARG 115 1HH2 ARG 115 5.763 -18.531 13.181 652 HH22 ARG 115 2HH2 ARG 115 4.482 -19.714 13.173 653 H GLU 116 H GLU 116 8.803 -16.038 6.877 654 HA GLU 116 HA GLU 116 11.044 -17.214 8.258 655 HB2 GLU 116 2HB GLU 116 9.423 -18.361 6.817 656 HB3 GLU 116 3HB GLU 116 10.079 -17.540 5.392 657 HG2 GLU 116 2HG GLU 116 12.161 -18.741 5.585 658 HG3 GLU 116 3HG GLU 116 11.748 -19.311 7.207 659 H ASN 117 H ASN 117 10.878 -14.781 5.565 660 HA ASN 117 HA ASN 117 13.757 -14.277 6.127 661 HB2 ASN 117 2HB ASN 117 13.374 -15.869 4.112 662 HB3 ASN 117 3HB ASN 117 12.747 -14.452 3.271 663 HD21 ASN 117 1HD2 ASN 117 14.432 -13.964 1.806 664 HD22 ASN 117 2HD2 ASN 117 16.125 -13.812 2.322 665 H SER 118 H SER 118 10.967 -12.707 6.355 666 HA SER 118 HA SER 118 10.165 -10.591 5.990 667 HB2 SER 118 2HB SER 118 13.067 -9.815 6.288 668 HB3 SER 118 3HB SER 118 11.661 -8.754 6.479 669 HG SER 118 HG SER 118 12.490 -9.531 8.425 Start of MODEL 6 1 HA PRO 31 HA PRO 31 0.922 12.345 6.121 2 HB2 PRO 31 2HB PRO 31 1.936 9.616 6.863 3 HB3 PRO 31 3HB PRO 31 2.777 10.927 5.979 4 HG2 PRO 31 2HG PRO 31 3.326 10.406 8.591 5 HG3 PRO 31 3HG PRO 31 3.222 12.103 8.006 6 HD2 PRO 31 2HD PRO 31 1.138 10.467 9.471 7 HD3 PRO 31 3HD PRO 31 1.636 12.167 9.738 8 H VAL 32 H VAL 32 0.305 11.330 4.252 9 HA VAL 32 HA VAL 32 -2.091 9.854 3.977 10 HB VAL 32 HB VAL 32 -1.026 11.045 2.139 11 HG11 VAL 32 1HG1 VAL 32 1.087 8.851 2.070 12 HG12 VAL 32 2HG1 VAL 32 0.887 10.170 0.903 13 HG13 VAL 32 3HG1 VAL 32 1.371 10.536 2.562 14 HG21 VAL 32 1HG2 VAL 32 -1.151 8.086 1.473 15 HG22 VAL 32 2HG2 VAL 32 -2.576 9.135 1.669 16 HG23 VAL 32 3HG2 VAL 32 -1.413 9.455 0.368 17 H GLU 33 H GLU 33 1.053 8.745 4.850 18 HA GLU 33 HA GLU 33 0.701 5.939 4.248 19 HB2 GLU 33 2HB GLU 33 2.895 5.830 4.615 20 HB3 GLU 33 3HB GLU 33 2.863 7.583 4.692 21 HG2 GLU 33 2HG GLU 33 2.575 7.357 7.208 22 HG3 GLU 33 3HG GLU 33 2.774 5.608 6.939 23 H ALA 34 H ALA 34 0.018 7.978 7.031 24 HA ALA 34 HA ALA 34 -0.710 5.730 8.795 25 HB1 ALA 34 1HB ALA 34 0.514 7.726 9.581 26 HB2 ALA 34 2HB ALA 34 -0.913 8.712 9.195 27 HB3 ALA 34 3HB ALA 34 -1.000 7.406 10.422 28 H ALA 35 H ALA 35 -2.318 8.227 6.797 29 HA ALA 35 HA ALA 35 -5.023 7.519 7.410 30 HB1 ALA 35 1HB ALA 35 -3.844 8.463 4.759 31 HB2 ALA 35 2HB ALA 35 -5.547 8.521 5.236 32 HB3 ALA 35 3HB ALA 35 -4.355 9.513 6.100 33 H ILE 36 H ILE 36 -2.989 6.279 4.661 34 HA ILE 36 HA ILE 36 -4.844 4.252 3.948 35 HB ILE 36 HB ILE 36 -3.026 5.129 2.543 36 HG12 ILE 36 2HG1 ILE 36 -3.240 2.110 2.791 37 HG13 ILE 36 3HG1 ILE 36 -4.319 3.171 1.872 38 HG21 ILE 36 1HG2 ILE 36 -1.196 4.887 4.215 39 HG22 ILE 36 2HG2 ILE 36 -1.172 3.141 3.879 40 HG23 ILE 36 3HG2 ILE 36 -0.819 4.326 2.602 41 HD11 ILE 36 1HD1 ILE 36 -2.816 2.028 0.371 42 HD12 ILE 36 2HD1 ILE 36 -2.358 3.754 0.403 43 HD13 ILE 36 3HD1 ILE 36 -1.405 2.530 1.288 44 H ARG 37 H ARG 37 -1.976 4.037 6.124 45 HA ARG 37 HA ARG 37 -2.230 1.341 6.947 46 HB2 ARG 37 2HB ARG 37 -0.512 2.666 7.937 47 HB3 ARG 37 3HB ARG 37 -1.692 3.748 8.705 48 HG2 ARG 37 2HG ARG 37 -2.528 1.975 10.120 49 HG3 ARG 37 3HG ARG 37 -1.591 0.758 9.260 50 HD2 ARG 37 2HD ARG 37 -0.540 1.197 11.344 51 HD3 ARG 37 3HD ARG 37 0.485 1.841 10.044 52 HE ARG 37 HE ARG 37 0.270 3.945 11.037 53 HH11 ARG 37 1HH1 ARG 37 -2.564 2.098 12.257 54 HH12 ARG 37 2HH1 ARG 37 -2.945 3.444 13.305 55 HH21 ARG 37 1HH2 ARG 37 -0.354 5.430 12.412 56 HH22 ARG 37 2HH2 ARG 37 -1.841 5.229 13.358 57 H THR 38 H THR 38 -4.169 4.048 8.334 58 HA THR 38 HA THR 38 -5.845 2.390 9.921 59 HB THR 38 HB THR 38 -6.731 4.986 8.597 60 HG1 THR 38 1HG THR 38 -4.796 5.353 9.628 61 HG21 THR 38 1HG2 THR 38 -8.010 5.234 10.722 62 HG22 THR 38 2HG2 THR 38 -7.500 3.601 11.209 63 HG23 THR 38 3HG2 THR 38 -8.539 3.830 9.787 64 H LYS 39 H LYS 39 -6.404 3.523 6.562 65 HA LYS 39 HA LYS 39 -8.964 2.246 6.205 66 HB2 LYS 39 2HB LYS 39 -6.853 3.400 4.357 67 HB3 LYS 39 3HB LYS 39 -8.128 2.403 3.682 68 HG2 LYS 39 2HG LYS 39 -8.862 4.624 3.473 69 HG3 LYS 39 3HG LYS 39 -9.844 3.852 4.718 70 HD2 LYS 39 2HD LYS 39 -8.535 5.006 6.477 71 HD3 LYS 39 3HD LYS 39 -7.553 5.799 5.209 72 HE2 LYS 39 2HE LYS 39 -9.428 6.986 4.343 73 HE3 LYS 39 3HE LYS 39 -10.566 5.965 5.224 74 HZ1 LYS 39 1HZ LYS 39 -8.790 8.016 6.438 75 HZ2 LYS 39 2HZ LYS 39 -9.663 6.909 7.302 76 HZ3 LYS 39 3HZ LYS 39 -10.447 7.982 6.375 77 H LEU 40 H LEU 40 -5.684 0.996 5.565 78 HA LEU 40 HA LEU 40 -6.732 -1.461 4.382 79 HB2 LEU 40 2HB LEU 40 -3.985 -0.347 4.923 80 HB3 LEU 40 3HB LEU 40 -4.196 -2.003 4.416 81 HG LEU 40 HG LEU 40 -3.659 -0.235 2.635 82 HD11 LEU 40 1HD1 LEU 40 -6.002 -2.107 2.155 83 HD12 LEU 40 2HD1 LEU 40 -4.271 -2.525 2.078 84 HD13 LEU 40 3HD1 LEU 40 -4.958 -1.386 0.911 85 HD21 LEU 40 1HD2 LEU 40 -6.670 0.241 2.603 86 HD22 LEU 40 2HD2 LEU 40 -5.463 0.865 1.465 87 HD23 LEU 40 3HD2 LEU 40 -5.467 1.438 3.126 88 H GLU 41 H GLU 41 -5.387 -0.547 7.567 89 HA GLU 41 HA GLU 41 -5.624 -3.050 8.921 90 HB2 GLU 41 2HB GLU 41 -6.170 -0.185 9.761 91 HB3 GLU 41 3HB GLU 41 -6.561 -1.539 10.803 92 HG2 GLU 41 2HG GLU 41 -4.200 -2.237 10.844 93 HG3 GLU 41 3HG GLU 41 -3.767 -0.848 9.835 94 H GLU 42 H GLU 42 -8.204 -0.547 8.176 95 HA GLU 42 HA GLU 42 -10.316 -2.187 9.099 96 HB2 GLU 42 2HB GLU 42 -10.059 0.405 8.268 97 HB3 GLU 42 3HB GLU 42 -10.855 -0.271 6.858 98 HG2 GLU 42 2HG GLU 42 -11.753 -0.399 9.752 99 HG3 GLU 42 3HG GLU 42 -12.425 0.679 8.535 100 H ALA 43 H ALA 43 -8.954 -1.933 5.783 101 HA ALA 43 HA ALA 43 -10.981 -3.470 4.532 102 HB1 ALA 43 1HB ALA 43 -9.493 -1.988 3.292 103 HB2 ALA 43 2HB ALA 43 -8.094 -2.994 3.705 104 HB3 ALA 43 3HB ALA 43 -9.372 -3.634 2.655 105 H LEU 44 H LEU 44 -7.695 -4.590 5.532 106 HA LEU 44 HA LEU 44 -8.729 -7.402 5.470 107 HB2 LEU 44 2HB LEU 44 -6.649 -8.149 4.471 108 HB3 LEU 44 3HB LEU 44 -7.583 -7.109 3.422 109 HG LEU 44 HG LEU 44 -5.594 -5.586 5.016 110 HD11 LEU 44 1HD1 LEU 44 -4.266 -7.581 4.839 111 HD12 LEU 44 2HD1 LEU 44 -3.638 -6.376 3.697 112 HD13 LEU 44 3HD1 LEU 44 -4.618 -7.733 3.104 113 HD21 LEU 44 1HD2 LEU 44 -5.122 -4.606 2.847 114 HD22 LEU 44 2HD2 LEU 44 -6.882 -4.767 3.044 115 HD23 LEU 44 3HD2 LEU 44 -6.011 -5.911 2.019 116 H SER 45 H SER 45 -7.068 -5.106 7.351 117 HA SER 45 HA SER 45 -5.768 -5.184 9.236 118 HB2 SER 45 2HB SER 45 -7.043 -7.722 10.070 119 HB3 SER 45 3HB SER 45 -6.445 -6.338 10.957 120 HG SER 45 HG SER 45 -8.145 -5.125 9.697 121 HA PRO 46 HA PRO 46 -2.748 -7.726 6.771 122 HB2 PRO 46 2HB PRO 46 -0.926 -5.530 7.748 123 HB3 PRO 46 3HB PRO 46 -1.009 -6.289 6.187 124 HG2 PRO 46 2HG PRO 46 -2.155 -3.874 6.605 125 HG3 PRO 46 3HG PRO 46 -2.975 -5.092 5.578 126 HD2 PRO 46 2HD PRO 46 -3.524 -4.341 8.441 127 HD3 PRO 46 3HD PRO 46 -4.657 -4.743 7.119 128 H GLU 47 H GLU 47 -0.529 -8.717 7.128 129 HA GLU 47 HA GLU 47 0.146 -9.310 9.935 130 HB2 GLU 47 2HB GLU 47 0.200 -10.913 7.780 131 HB3 GLU 47 3HB GLU 47 1.739 -10.163 7.589 132 HG2 GLU 47 2HG GLU 47 2.160 -12.044 8.798 133 HG3 GLU 47 3HG GLU 47 2.360 -10.735 9.942 134 H VAL 48 H VAL 48 1.503 -7.577 7.020 135 HA VAL 48 HA VAL 48 2.747 -5.761 9.055 136 HB VAL 48 HB VAL 48 4.596 -5.341 7.527 137 HG11 VAL 48 1HG1 VAL 48 6.010 -6.987 7.776 138 HG12 VAL 48 2HG1 VAL 48 4.997 -7.072 9.243 139 HG13 VAL 48 3HG1 VAL 48 4.796 -8.292 7.906 140 HG21 VAL 48 1HG2 VAL 48 4.141 -5.819 5.380 141 HG22 VAL 48 2HG2 VAL 48 4.949 -7.358 5.803 142 HG23 VAL 48 3HG2 VAL 48 3.168 -7.224 5.855 143 H LEU 49 H LEU 49 3.111 -3.674 8.303 144 HA LEU 49 HA LEU 49 3.194 -3.561 5.516 145 HB2 LEU 49 2HB LEU 49 2.025 -1.177 5.361 146 HB3 LEU 49 3HB LEU 49 1.227 -2.703 5.062 147 HG LEU 49 HG LEU 49 0.354 -2.643 7.475 148 HD11 LEU 49 1HD1 LEU 49 0.180 -0.470 8.536 149 HD12 LEU 49 2HD1 LEU 49 1.159 0.290 7.254 150 HD13 LEU 49 3HD1 LEU 49 1.879 -0.897 8.369 151 HD21 LEU 49 1HD2 LEU 49 -0.546 -0.503 5.539 152 HD22 LEU 49 2HD2 LEU 49 -1.489 -1.238 6.870 153 HD23 LEU 49 3HD2 LEU 49 -0.973 -2.240 5.505 154 H GLU 50 H GLU 50 4.927 -2.676 4.844 155 HA GLU 50 HA GLU 50 6.242 -0.584 6.515 156 HB2 GLU 50 2HB GLU 50 7.710 -2.402 4.641 157 HB3 GLU 50 3HB GLU 50 8.338 -1.121 5.658 158 HG2 GLU 50 2HG GLU 50 7.247 -2.518 7.596 159 HG3 GLU 50 3HG GLU 50 7.383 -3.861 6.485 160 H LEU 51 H LEU 51 6.052 1.235 5.647 161 HA LEU 51 HA LEU 51 5.892 1.666 2.741 162 HB2 LEU 51 2HB LEU 51 3.663 2.202 2.591 163 HB3 LEU 51 3HB LEU 51 3.648 0.796 3.652 164 HG LEU 51 HG LEU 51 3.428 3.666 4.426 165 HD11 LEU 51 1HD1 LEU 51 1.400 2.623 3.330 166 HD12 LEU 51 2HD1 LEU 51 1.141 3.329 4.930 167 HD13 LEU 51 3HD1 LEU 51 1.277 1.560 4.740 168 HD21 LEU 51 1HD2 LEU 51 4.451 2.503 6.313 169 HD22 LEU 51 2HD2 LEU 51 3.262 1.196 6.200 170 HD23 LEU 51 3HD2 LEU 51 2.767 2.827 6.724 171 H ARG 52 H ARG 52 5.654 3.955 2.067 172 HA ARG 52 HA ARG 52 6.225 6.020 4.042 173 HB2 ARG 52 2HB ARG 52 8.423 4.964 3.907 174 HB3 ARG 52 3HB ARG 52 8.379 4.989 2.155 175 HG2 ARG 52 2HG ARG 52 9.931 6.593 3.154 176 HG3 ARG 52 3HG ARG 52 8.791 7.328 2.055 177 HD2 ARG 52 2HD ARG 52 9.443 8.535 4.289 178 HD3 ARG 52 3HD ARG 52 7.806 8.613 3.690 179 HE ARG 52 HE ARG 52 7.008 7.312 5.439 180 HH11 ARG 52 1HH1 ARG 52 10.524 7.478 5.838 181 HH12 ARG 52 2HH1 ARG 52 10.371 7.115 7.545 182 HH21 ARG 52 1HH2 ARG 52 6.927 6.744 7.431 183 HH22 ARG 52 2HH2 ARG 52 8.362 6.676 8.425 184 H ASN 53 H ASN 53 5.779 8.035 3.308 185 HA ASN 53 HA ASN 53 5.112 8.363 0.454 186 HB2 ASN 53 2HB ASN 53 3.938 10.231 1.016 187 HB3 ASN 53 3HB ASN 53 3.594 9.094 2.316 188 HD21 ASN 53 1HD2 ASN 53 4.033 12.213 1.729 189 HD22 ASN 53 2HD2 ASN 53 4.752 12.757 3.220 190 H GLU 54 H GLU 54 6.760 8.452 -0.774 191 HA GLU 54 HA GLU 54 9.347 9.455 -0.016 192 HB2 GLU 54 2HB GLU 54 8.865 7.587 -1.621 193 HB3 GLU 54 3HB GLU 54 8.163 8.755 -2.733 194 HG2 GLU 54 2HG GLU 54 10.305 8.202 -3.536 195 HG3 GLU 54 3HG GLU 54 10.416 9.847 -2.959 196 H SER 55 H SER 55 6.539 11.062 -1.125 197 HA SER 55 HA SER 55 7.364 13.183 -2.637 198 HB2 SER 55 2HB SER 55 5.316 14.220 -1.940 199 HB3 SER 55 3HB SER 55 5.185 12.450 -2.173 200 HG SER 55 HG SER 55 5.268 13.851 0.306 201 H GLY 56 H GLY 56 8.131 12.901 0.776 202 HA2 GLY 56 2HA GLY 56 8.957 15.629 1.195 203 HA3 GLY 56 3HA GLY 56 9.530 14.211 2.085 204 H GLY 57 H GLY 57 10.162 13.431 -1.011 205 HA2 GLY 57 2HA GLY 57 12.895 14.449 -1.220 206 HA3 GLY 57 3HA GLY 57 12.078 13.328 -2.290 207 H HIS 58 H HIS 58 9.811 15.633 -2.219 208 HA HIS 58 HA HIS 58 10.901 16.792 -4.746 209 HB2 HIS 58 2HB HIS 58 8.136 15.722 -4.062 210 HB3 HIS 58 3HB HIS 58 8.548 16.521 -5.568 211 HD1 HIS 58 1HD HIS 58 10.405 15.300 -7.173 212 HD2 HIS 58 2HD HIS 58 9.001 13.120 -3.863 213 HE1 HIS 58 1HE HIS 58 11.241 12.915 -7.471 214 H ALA 59 H ALA 59 10.089 18.037 -1.773 215 HA ALA 59 HA ALA 59 9.372 20.044 -1.027 216 HB1 ALA 59 1HB ALA 59 10.834 20.976 -3.508 217 HB2 ALA 59 2HB ALA 59 10.483 21.954 -2.061 218 HB3 ALA 59 3HB ALA 59 11.565 20.557 -1.947 219 H VAL 60 H VAL 60 7.297 18.859 -1.923 220 HA VAL 60 HA VAL 60 5.747 20.348 -3.892 221 HB VAL 60 HB VAL 60 4.023 18.574 -3.411 222 HG11 VAL 60 1HG1 VAL 60 5.303 16.802 -4.537 223 HG12 VAL 60 2HG1 VAL 60 5.567 18.391 -5.269 224 HG13 VAL 60 3HG1 VAL 60 6.802 17.686 -4.213 225 HG21 VAL 60 1HG2 VAL 60 6.195 17.230 -1.765 226 HG22 VAL 60 2HG2 VAL 60 4.760 18.019 -1.079 227 HG23 VAL 60 3HG2 VAL 60 4.574 16.626 -2.149 228 HA PRO 61 HA PRO 61 3.544 23.179 -1.554 229 HB2 PRO 61 2HB PRO 61 0.928 21.908 -2.377 230 HB3 PRO 61 3HB PRO 61 1.380 23.639 -2.433 231 HG2 PRO 61 2HG PRO 61 1.474 22.204 -4.690 232 HG3 PRO 61 3HG PRO 61 2.863 23.270 -4.279 233 HD2 PRO 61 2HD PRO 61 2.593 20.284 -3.879 234 HD3 PRO 61 3HD PRO 61 3.965 21.216 -4.543 235 HA PRO 62 HA PRO 62 2.474 21.873 2.517 236 HB2 PRO 62 2HB PRO 62 0.591 23.686 3.427 237 HB3 PRO 62 3HB PRO 62 2.339 24.027 3.256 238 HG2 PRO 62 2HG PRO 62 0.121 24.625 1.274 239 HG3 PRO 62 3HG PRO 62 1.408 25.730 1.858 240 HD2 PRO 62 2HD PRO 62 1.668 24.480 -0.486 241 HD3 PRO 62 3HD PRO 62 3.078 24.583 0.607 242 H GLY 63 H GLY 63 1.435 20.116 3.084 243 HA2 GLY 63 2HA GLY 63 -0.262 18.589 3.462 244 HA3 GLY 63 3HA GLY 63 -1.448 19.726 2.823 245 H SER 64 H SER 64 0.885 19.454 0.399 246 HA SER 64 HA SER 64 -0.591 17.387 -1.119 247 HB2 SER 64 2HB SER 64 1.765 19.172 -1.818 248 HB3 SER 64 3HB SER 64 1.230 17.831 -2.823 249 HG SER 64 HG SER 64 -0.453 19.987 -1.998 250 H GLU 65 H GLU 65 -0.005 15.364 -1.152 251 HA GLU 65 HA GLU 65 2.720 14.464 -0.242 252 HB2 GLU 65 2HB GLU 65 0.035 13.333 0.635 253 HB3 GLU 65 3HB GLU 65 1.623 12.599 0.934 254 HG2 GLU 65 2HG GLU 65 2.312 14.627 2.193 255 HG3 GLU 65 3HG GLU 65 0.726 15.354 1.911 256 H THR 66 H THR 66 3.083 14.523 -2.586 257 HA THR 66 HA THR 66 1.088 13.533 -4.380 258 HB THR 66 HB THR 66 2.676 14.162 -6.151 259 HG1 THR 66 1HG THR 66 4.701 14.560 -5.775 260 HG21 THR 66 1HG2 THR 66 3.010 16.516 -5.665 261 HG22 THR 66 2HG2 THR 66 2.765 16.245 -3.932 262 HG23 THR 66 3HG2 THR 66 1.413 16.014 -5.071 263 H HIS 67 H HIS 67 3.632 11.937 -2.845 264 HA HIS 67 HA HIS 67 4.103 9.983 -5.064 265 HB2 HIS 67 2HB HIS 67 5.669 12.191 -4.121 266 HB3 HIS 67 3HB HIS 67 6.463 10.758 -3.576 267 HD1 HIS 67 1HD HIS 67 8.474 10.975 -5.501 268 HD2 HIS 67 2HD HIS 67 4.565 11.696 -6.748 269 HE1 HIS 67 1HE HIS 67 8.632 11.462 -7.966 270 H PHE 68 H PHE 68 3.908 7.885 -4.369 271 HA PHE 68 HA PHE 68 4.393 7.328 -1.491 272 HB2 PHE 68 2HB PHE 68 2.032 8.116 -2.066 273 HB3 PHE 68 3HB PHE 68 1.782 6.635 -2.943 274 HD1 PHE 68 1HD PHE 68 0.718 4.911 -1.672 275 HD2 PHE 68 2HD PHE 68 3.104 7.860 0.338 276 HE1 PHE 68 1HE PHE 68 0.256 3.829 0.503 277 HE2 PHE 68 2HE PHE 68 2.760 6.676 2.527 278 HZ PHE 68 HZ PHE 68 1.357 4.660 2.579 279 H ARG 69 H ARG 69 4.864 5.312 -0.738 280 HA ARG 69 HA ARG 69 4.969 3.064 -2.693 281 HB2 ARG 69 2HB ARG 69 7.211 4.294 -2.411 282 HB3 ARG 69 3HB ARG 69 7.197 3.737 -0.743 283 HG2 ARG 69 2HG ARG 69 8.546 2.220 -1.936 284 HG3 ARG 69 3HG ARG 69 7.052 1.350 -1.641 285 HD2 ARG 69 2HD ARG 69 6.634 1.105 -3.870 286 HD3 ARG 69 3HD ARG 69 6.943 2.805 -4.181 287 HE ARG 69 HE ARG 69 9.306 2.392 -4.385 288 HH11 ARG 69 1HH1 ARG 69 7.561 -0.690 -4.310 289 HH12 ARG 69 2HH1 ARG 69 8.594 -1.359 -5.568 290 HH21 ARG 69 1HH2 ARG 69 10.787 1.273 -5.610 291 HH22 ARG 69 2HH2 ARG 69 10.541 -0.442 -5.877 292 H VAL 70 H VAL 70 4.231 1.157 -1.899 293 HA VAL 70 HA VAL 70 4.239 0.752 1.075 294 HB VAL 70 HB VAL 70 2.009 -0.292 -0.695 295 HG11 VAL 70 1HG1 VAL 70 2.582 -0.494 2.290 296 HG12 VAL 70 2HG1 VAL 70 0.922 -0.589 1.653 297 HG13 VAL 70 3HG1 VAL 70 2.146 -1.737 1.136 298 HG21 VAL 70 1HG2 VAL 70 0.526 1.324 0.411 299 HG22 VAL 70 2HG2 VAL 70 1.941 2.090 1.171 300 HG23 VAL 70 3HG2 VAL 70 1.746 2.111 -0.591 301 H ALA 71 H ALA 71 4.952 -1.069 1.838 302 HA ALA 71 HA ALA 71 4.540 -3.503 0.160 303 HB1 ALA 71 1HB ALA 71 7.066 -3.129 0.613 304 HB2 ALA 71 2HB ALA 71 6.691 -3.188 2.358 305 HB3 ALA 71 3HB ALA 71 6.425 -4.617 1.343 306 H VAL 72 H VAL 72 3.196 -4.856 0.748 307 HA VAL 72 HA VAL 72 2.190 -4.785 3.518 308 HB VAL 72 HB VAL 72 0.780 -3.343 2.184 309 HG11 VAL 72 1HG1 VAL 72 -0.469 -4.110 0.211 310 HG12 VAL 72 2HG1 VAL 72 1.256 -3.832 -0.075 311 HG13 VAL 72 3HG1 VAL 72 0.658 -5.477 0.118 312 HG21 VAL 72 1HG2 VAL 72 -0.365 -6.010 2.597 313 HG22 VAL 72 2HG2 VAL 72 -0.151 -4.706 3.783 314 HG23 VAL 72 3HG2 VAL 72 -1.275 -4.481 2.402 315 H VAL 73 H VAL 73 1.585 -6.686 4.309 316 HA VAL 73 HA VAL 73 1.687 -9.092 2.610 317 HB VAL 73 HB VAL 73 3.827 -8.285 4.207 318 HG11 VAL 73 1HG1 VAL 73 2.981 -9.295 6.195 319 HG12 VAL 73 2HG1 VAL 73 2.705 -10.850 5.351 320 HG13 VAL 73 3HG1 VAL 73 4.336 -10.188 5.622 321 HG21 VAL 73 1HG2 VAL 73 5.008 -9.936 3.131 322 HG22 VAL 73 2HG2 VAL 73 3.562 -10.950 2.938 323 HG23 VAL 73 3HG2 VAL 73 3.747 -9.411 2.049 324 H SER 74 H SER 74 0.245 -10.580 3.043 325 HA SER 74 HA SER 74 -1.162 -10.595 5.683 326 HB2 SER 74 2HB SER 74 -2.223 -8.741 4.549 327 HB3 SER 74 3HB SER 74 -2.428 -9.698 3.072 328 HG SER 74 HG SER 74 -3.763 -10.031 5.577 329 H SER 75 H SER 75 -2.343 -12.379 6.161 330 HA SER 75 HA SER 75 -2.271 -14.776 4.521 331 HB2 SER 75 2HB SER 75 -3.660 -15.732 6.313 332 HB3 SER 75 3HB SER 75 -2.225 -14.915 6.946 333 HG SER 75 HG SER 75 -4.829 -14.421 7.430 334 H ARG 76 H ARG 76 -4.157 -12.034 4.139 335 HA ARG 76 HA ARG 76 -6.428 -13.486 2.863 336 HB2 ARG 76 2HB ARG 76 -6.851 -11.653 4.465 337 HB3 ARG 76 3HB ARG 76 -6.053 -10.514 3.370 338 HG2 ARG 76 2HG ARG 76 -7.749 -10.717 1.732 339 HG3 ARG 76 3HG ARG 76 -8.354 -12.242 2.402 340 HD2 ARG 76 2HD ARG 76 -9.152 -11.095 4.396 341 HD3 ARG 76 3HD ARG 76 -8.565 -9.534 3.774 342 HE ARG 76 HE ARG 76 -10.160 -10.416 1.735 343 HH11 ARG 76 1HH1 ARG 76 -10.878 -9.883 5.130 344 HH12 ARG 76 2HH1 ARG 76 -12.609 -9.912 4.839 345 HH21 ARG 76 1HH2 ARG 76 -12.265 -10.282 1.425 346 HH22 ARG 76 2HH2 ARG 76 -13.374 -10.012 2.751 347 H PHE 77 H PHE 77 -3.351 -12.352 1.960 348 HA PHE 77 HA PHE 77 -4.111 -11.771 -0.843 349 HB2 PHE 77 2HB PHE 77 -1.545 -11.490 0.751 350 HB3 PHE 77 3HB PHE 77 -1.653 -11.208 -0.955 351 HD1 PHE 77 1HD PHE 77 -0.450 -9.178 0.493 352 HD2 PHE 77 2HD PHE 77 -4.688 -9.784 -0.088 353 HE1 PHE 77 1HE PHE 77 -0.857 -6.735 0.765 354 HE2 PHE 77 2HE PHE 77 -5.067 -7.371 0.209 355 HZ PHE 77 HZ PHE 77 -3.144 -5.835 0.658 356 H GLU 78 H GLU 78 -3.515 -14.538 0.931 357 HA GLU 78 HA GLU 78 -2.177 -15.918 -1.247 358 HB2 GLU 78 2HB GLU 78 -2.338 -17.884 0.338 359 HB3 GLU 78 3HB GLU 78 -1.338 -16.551 0.908 360 HG2 GLU 78 2HG GLU 78 -3.091 -15.789 2.388 361 HG3 GLU 78 3HG GLU 78 -4.241 -16.967 1.740 362 H GLY 79 H GLY 79 -2.913 -17.759 -2.243 363 HA2 GLY 79 2HA GLY 79 -4.588 -19.242 -3.070 364 HA3 GLY 79 3HA GLY 79 -5.871 -18.183 -2.469 365 H LEU 80 H LEU 80 -3.113 -16.837 -4.079 366 HA LEU 80 HA LEU 80 -4.725 -15.902 -6.445 367 HB2 LEU 80 2HB LEU 80 -3.220 -14.433 -4.255 368 HB3 LEU 80 3HB LEU 80 -3.631 -13.655 -5.777 369 HG LEU 80 HG LEU 80 -5.914 -14.979 -4.433 370 HD11 LEU 80 1HD1 LEU 80 -4.583 -12.636 -3.044 371 HD12 LEU 80 2HD1 LEU 80 -4.838 -14.281 -2.406 372 HD13 LEU 80 3HD1 LEU 80 -6.222 -13.240 -2.713 373 HD21 LEU 80 1HD2 LEU 80 -5.449 -12.113 -5.300 374 HD22 LEU 80 2HD2 LEU 80 -7.010 -12.864 -4.916 375 HD23 LEU 80 3HD2 LEU 80 -6.098 -13.404 -6.338 376 H SER 81 H SER 81 -3.464 -15.283 -8.229 377 HA SER 81 HA SER 81 -0.593 -15.870 -8.413 378 HB2 SER 81 2HB SER 81 -1.335 -16.028 -10.523 379 HB3 SER 81 3HB SER 81 -2.768 -15.065 -10.201 380 HG SER 81 HG SER 81 -1.680 -13.927 -11.611 381 HA PRO 82 HA PRO 82 0.899 -11.992 -6.656 382 HB2 PRO 82 2HB PRO 82 2.736 -12.053 -9.060 383 HB3 PRO 82 3HB PRO 82 3.121 -11.630 -7.367 384 HG2 PRO 82 2HG PRO 82 3.706 -14.093 -8.295 385 HG3 PRO 82 3HG PRO 82 2.943 -13.922 -6.682 386 HD2 PRO 82 2HD PRO 82 1.656 -14.700 -9.300 387 HD3 PRO 82 3HD PRO 82 1.377 -15.343 -7.662 388 H LEU 83 H LEU 83 0.753 -11.893 -10.265 389 HA LEU 83 HA LEU 83 0.098 -9.129 -10.475 390 HB2 LEU 83 2HB LEU 83 1.031 -10.511 -12.294 391 HB3 LEU 83 3HB LEU 83 -0.448 -11.469 -12.352 392 HG LEU 83 HG LEU 83 -1.729 -9.493 -13.110 393 HD11 LEU 83 1HD1 LEU 83 -0.455 -7.650 -12.099 394 HD12 LEU 83 2HD1 LEU 83 -0.507 -7.452 -13.851 395 HD13 LEU 83 3HD1 LEU 83 0.971 -8.069 -13.082 396 HD21 LEU 83 1HD2 LEU 83 -0.677 -10.996 -14.757 397 HD22 LEU 83 2HD2 LEU 83 0.797 -10.003 -14.736 398 HD23 LEU 83 3HD2 LEU 83 -0.729 -9.331 -15.349 399 H GLN 84 H GLN 84 -1.979 -12.001 -10.148 400 HA GLN 84 HA GLN 84 -4.513 -10.751 -10.560 401 HB2 GLN 84 2HB GLN 84 -4.047 -13.181 -10.592 402 HB3 GLN 84 3HB GLN 84 -3.716 -13.135 -8.862 403 HG2 GLN 84 2HG GLN 84 -6.129 -12.380 -8.534 404 HG3 GLN 84 3HG GLN 84 -6.370 -12.782 -10.237 405 HE21 GLN 84 1HE2 GLN 84 -7.780 -14.141 -8.135 406 HE22 GLN 84 2HE2 GLN 84 -7.191 -15.774 -8.038 407 H ARG 85 H ARG 85 -2.687 -11.313 -7.457 408 HA ARG 85 HA ARG 85 -4.677 -9.874 -5.895 409 HB2 ARG 85 2HB ARG 85 -3.116 -9.876 -4.057 410 HB3 ARG 85 3HB ARG 85 -3.290 -11.473 -4.769 411 HG2 ARG 85 2HG ARG 85 -1.130 -11.323 -5.836 412 HG3 ARG 85 3HG ARG 85 -0.905 -9.644 -5.340 413 HD2 ARG 85 2HD ARG 85 -0.753 -10.263 -3.023 414 HD3 ARG 85 3HD ARG 85 -1.506 -11.829 -3.305 415 HE ARG 85 HE ARG 85 1.307 -11.079 -3.970 416 HH11 ARG 85 1HH1 ARG 85 -0.936 -13.706 -3.068 417 HH12 ARG 85 2HH1 ARG 85 0.328 -14.890 -3.393 418 HH21 ARG 85 1HH2 ARG 85 2.759 -12.724 -4.225 419 HH22 ARG 85 2HH2 ARG 85 2.249 -14.390 -3.885 420 H HIS 86 H HIS 86 -1.628 -8.770 -7.400 421 HA HIS 86 HA HIS 86 -1.749 -6.062 -6.498 422 HB2 HIS 86 2HB HIS 86 -0.557 -7.614 -8.738 423 HB3 HIS 86 3HB HIS 86 -0.710 -5.866 -9.004 424 HD1 HIS 86 1HD HIS 86 1.649 -4.888 -8.542 425 HD2 HIS 86 2HD HIS 86 0.550 -8.008 -5.946 426 HE1 HIS 86 1HE HIS 86 3.539 -5.123 -6.864 427 H ARG 87 H ARG 87 -3.245 -7.482 -9.509 428 HA ARG 87 HA ARG 87 -4.615 -5.094 -10.224 429 HB2 ARG 87 2HB ARG 87 -4.189 -7.096 -11.684 430 HB3 ARG 87 3HB ARG 87 -5.508 -7.935 -10.856 431 HG2 ARG 87 2HG ARG 87 -7.118 -6.215 -11.629 432 HG3 ARG 87 3HG ARG 87 -5.787 -5.260 -12.320 433 HD2 ARG 87 2HD ARG 87 -5.229 -7.211 -13.785 434 HD3 ARG 87 3HD ARG 87 -6.691 -8.028 -13.207 435 HE ARG 87 HE ARG 87 -7.773 -5.726 -14.129 436 HH11 ARG 87 1HH1 ARG 87 -5.489 -7.917 -15.679 437 HH12 ARG 87 2HH1 ARG 87 -5.825 -7.240 -17.257 438 HH21 ARG 87 1HH2 ARG 87 -8.305 -5.141 -16.233 439 HH22 ARG 87 2HH2 ARG 87 -7.551 -6.006 -17.562 440 H LEU 88 H LEU 88 -5.779 -7.771 -8.126 441 HA LEU 88 HA LEU 88 -8.375 -6.706 -7.660 442 HB2 LEU 88 2HB LEU 88 -6.568 -8.720 -6.431 443 HB3 LEU 88 3HB LEU 88 -7.618 -7.963 -5.276 444 HG LEU 88 HG LEU 88 -8.479 -10.093 -6.192 445 HD11 LEU 88 1HD1 LEU 88 -10.231 -7.680 -6.787 446 HD12 LEU 88 2HD1 LEU 88 -10.021 -8.462 -5.207 447 HD13 LEU 88 3HD1 LEU 88 -10.788 -9.344 -6.533 448 HD21 LEU 88 1HD2 LEU 88 -8.932 -8.570 -8.794 449 HD22 LEU 88 2HD2 LEU 88 -9.470 -10.212 -8.407 450 HD23 LEU 88 3HD2 LEU 88 -7.740 -9.861 -8.541 451 H VAL 89 H VAL 89 -5.322 -5.997 -5.879 452 HA VAL 89 HA VAL 89 -6.530 -4.121 -4.031 453 HB VAL 89 HB VAL 89 -3.674 -4.450 -5.042 454 HG11 VAL 89 1HG1 VAL 89 -2.978 -3.119 -3.061 455 HG12 VAL 89 2HG1 VAL 89 -3.861 -2.152 -4.238 456 HG13 VAL 89 3HG1 VAL 89 -4.683 -2.705 -2.759 457 HG21 VAL 89 1HG2 VAL 89 -4.935 -5.162 -2.358 458 HG22 VAL 89 2HG2 VAL 89 -4.604 -6.323 -3.653 459 HG23 VAL 89 3HG2 VAL 89 -3.259 -5.476 -2.883 460 H HIS 90 H HIS 90 -5.184 -3.748 -7.242 461 HA HIS 90 HA HIS 90 -5.058 -0.846 -7.275 462 HB2 HIS 90 2HB HIS 90 -4.938 -2.939 -9.489 463 HB3 HIS 90 3HB HIS 90 -4.761 -1.217 -9.755 464 HD1 HIS 90 1HD HIS 90 -2.419 -2.067 -10.844 465 HD2 HIS 90 2HD HIS 90 -2.806 -2.283 -6.656 466 HE1 HIS 90 1HE HIS 90 -0.048 -2.372 -9.899 467 H ALA 91 H ALA 91 -7.342 -3.280 -8.631 468 HA ALA 91 HA ALA 91 -9.060 -1.171 -9.683 469 HB1 ALA 91 1HB ALA 91 -9.370 -4.212 -9.555 470 HB2 ALA 91 2HB ALA 91 -10.394 -3.114 -10.499 471 HB3 ALA 91 3HB ALA 91 -8.676 -3.289 -10.906 472 H ALA 92 H ALA 92 -9.191 -3.351 -6.782 473 HA ALA 92 HA ALA 92 -11.769 -2.231 -6.060 474 HB1 ALA 92 1HB ALA 92 -10.829 -4.468 -5.177 475 HB2 ALA 92 2HB ALA 92 -9.719 -3.495 -4.155 476 HB3 ALA 92 3HB ALA 92 -11.461 -3.379 -3.929 477 H LEU 93 H LEU 93 -8.391 -1.433 -5.080 478 HA LEU 93 HA LEU 93 -9.763 0.380 -3.108 479 HB2 LEU 93 2HB LEU 93 -7.033 -0.911 -3.065 480 HB3 LEU 93 3HB LEU 93 -7.609 0.252 -1.932 481 HG LEU 93 HG LEU 93 -8.339 -2.636 -2.227 482 HD11 LEU 93 1HD1 LEU 93 -6.889 -1.577 -0.573 483 HD12 LEU 93 2HD1 LEU 93 -8.327 -2.308 0.210 484 HD13 LEU 93 3HD1 LEU 93 -8.234 -0.517 -0.066 485 HD21 LEU 93 1HD2 LEU 93 -10.664 -1.728 -2.461 486 HD22 LEU 93 2HD2 LEU 93 -10.374 -0.671 -1.066 487 HD23 LEU 93 3HD2 LEU 93 -10.398 -2.431 -0.878 488 H ALA 94 H ALA 94 -8.655 0.975 -5.941 489 HA ALA 94 HA ALA 94 -6.499 2.623 -5.783 490 HB1 ALA 94 1HB ALA 94 -7.269 3.856 -7.802 491 HB2 ALA 94 2HB ALA 94 -7.747 2.159 -7.933 492 HB3 ALA 94 3HB ALA 94 -8.945 3.374 -7.473 493 H GLU 95 H GLU 95 -9.679 3.890 -4.914 494 HA GLU 95 HA GLU 95 -8.840 6.598 -4.582 495 HB2 GLU 95 2HB GLU 95 -10.907 6.780 -3.195 496 HB3 GLU 95 3HB GLU 95 -11.161 6.087 -4.800 497 HG2 GLU 95 2HG GLU 95 -11.353 3.829 -3.822 498 HG3 GLU 95 3HG GLU 95 -11.032 4.485 -2.213 499 H GLU 96 H GLU 96 -8.624 3.839 -2.361 500 HA GLU 96 HA GLU 96 -7.837 5.629 -0.156 501 HB2 GLU 96 2HB GLU 96 -8.075 3.651 1.199 502 HB3 GLU 96 3HB GLU 96 -9.540 4.449 0.550 503 HG2 GLU 96 2HG GLU 96 -9.647 2.718 -1.246 504 HG3 GLU 96 3HG GLU 96 -8.240 2.002 -0.474 505 H LEU 97 H LEU 97 -6.577 3.178 -2.266 506 HA LEU 97 HA LEU 97 -3.956 2.871 -1.267 507 HB2 LEU 97 2HB LEU 97 -5.497 1.989 -3.396 508 HB3 LEU 97 3HB LEU 97 -4.483 3.091 -4.222 509 HG LEU 97 HG LEU 97 -2.448 1.883 -3.255 510 HD11 LEU 97 1HD1 LEU 97 -2.826 -0.442 -2.478 511 HD12 LEU 97 2HD1 LEU 97 -4.583 -0.177 -2.529 512 HD13 LEU 97 3HD1 LEU 97 -3.579 0.709 -1.371 513 HD21 LEU 97 1HD2 LEU 97 -3.255 1.519 -5.567 514 HD22 LEU 97 2HD2 LEU 97 -4.383 0.273 -4.986 515 HD23 LEU 97 3HD2 LEU 97 -2.624 0.023 -4.870 516 H GLY 98 H GLY 98 -5.389 5.275 -3.407 517 HA2 GLY 98 2HA GLY 98 -2.914 6.907 -3.583 518 HA3 GLY 98 3HA GLY 98 -3.269 5.817 -4.930 519 H GLY 99 H GLY 99 -5.987 7.072 -3.467 520 HA2 GLY 99 2HA GLY 99 -7.081 8.311 -5.785 521 HA3 GLY 99 3HA GLY 99 -7.680 8.528 -4.132 522 HA PRO 100 HA PRO 100 -5.588 12.525 -4.235 523 HB2 PRO 100 2HB PRO 100 -4.842 13.080 -1.725 524 HB3 PRO 100 3HB PRO 100 -6.520 12.533 -2.082 525 HG2 PRO 100 2HG PRO 100 -4.236 10.785 -1.127 526 HG3 PRO 100 3HG PRO 100 -5.859 10.992 -0.388 527 HD2 PRO 100 2HD PRO 100 -5.272 9.012 -2.205 528 HD3 PRO 100 3HD PRO 100 -6.894 9.744 -2.070 529 H VAL 101 H VAL 101 -3.784 10.210 -5.029 530 HA VAL 101 HA VAL 101 -1.091 11.329 -4.378 531 HB VAL 101 HB VAL 101 -1.747 8.365 -4.694 532 HG11 VAL 101 1HG1 VAL 101 0.788 9.684 -3.808 533 HG12 VAL 101 2HG1 VAL 101 0.369 7.951 -3.911 534 HG13 VAL 101 3HG1 VAL 101 0.480 8.893 -5.390 535 HG21 VAL 101 1HG2 VAL 101 -1.293 8.169 -2.297 536 HG22 VAL 101 2HG2 VAL 101 -1.062 9.920 -2.169 537 HG23 VAL 101 3HG2 VAL 101 -2.668 9.247 -2.530 538 H HIS 102 H HIS 102 0.373 11.459 -6.063 539 HA HIS 102 HA HIS 102 -0.922 11.505 -8.744 540 HB2 HIS 102 2HB HIS 102 1.398 13.082 -7.588 541 HB3 HIS 102 3HB HIS 102 0.811 13.206 -9.233 542 HD1 HIS 102 1HD HIS 102 -0.862 15.148 -9.578 543 HD2 HIS 102 2HD HIS 102 -0.806 13.622 -5.657 544 HE1 HIS 102 1HE HIS 102 -2.531 16.530 -8.243 545 H ALA 103 H ALA 103 1.959 10.261 -7.064 546 HA ALA 103 HA ALA 103 2.274 8.313 -9.274 547 HB1 ALA 103 1HB ALA 103 4.708 9.435 -7.874 548 HB2 ALA 103 2HB ALA 103 4.623 8.519 -9.378 549 HB3 ALA 103 3HB ALA 103 4.083 10.212 -9.360 550 H LEU 104 H LEU 104 2.604 6.222 -8.481 551 HA LEU 104 HA LEU 104 3.697 5.778 -5.920 552 HB2 LEU 104 2HB LEU 104 1.904 4.791 -4.817 553 HB3 LEU 104 3HB LEU 104 1.432 6.417 -5.214 554 HG LEU 104 HG LEU 104 0.446 3.922 -6.673 555 HD11 LEU 104 1HD1 LEU 104 -0.216 3.935 -4.307 556 HD12 LEU 104 2HD1 LEU 104 -1.609 4.277 -5.334 557 HD13 LEU 104 3HD1 LEU 104 -0.797 5.601 -4.449 558 HD21 LEU 104 1HD2 LEU 104 -1.388 5.431 -7.435 559 HD22 LEU 104 2HD2 LEU 104 0.176 5.940 -8.062 560 HD23 LEU 104 3HD2 LEU 104 -0.553 6.815 -6.694 561 H ALA 105 H ALA 105 4.001 3.659 -5.217 562 HA ALA 105 HA ALA 105 3.225 1.470 -7.068 563 HB1 ALA 105 1HB ALA 105 6.076 1.811 -6.084 564 HB2 ALA 105 2HB ALA 105 5.440 0.432 -7.005 565 HB3 ALA 105 3HB ALA 105 5.508 2.046 -7.737 566 H ILE 106 H ILE 106 2.537 -0.387 -6.121 567 HA ILE 106 HA ILE 106 3.175 -0.814 -3.247 568 HB ILE 106 HB ILE 106 1.146 -1.960 -2.939 569 HG12 ILE 106 2HG1 ILE 106 -0.693 -1.563 -4.861 570 HG13 ILE 106 3HG1 ILE 106 0.722 -1.732 -5.890 571 HG21 ILE 106 1HG2 ILE 106 0.487 0.680 -4.268 572 HG22 ILE 106 2HG2 ILE 106 -0.364 -0.112 -2.924 573 HG23 ILE 106 3HG2 ILE 106 1.273 0.520 -2.683 574 HD11 ILE 106 1HD1 ILE 106 -0.280 -3.768 -3.848 575 HD12 ILE 106 2HD1 ILE 106 -0.463 -3.868 -5.609 576 HD13 ILE 106 3HD1 ILE 106 1.144 -3.992 -4.888 577 H GLN 107 H GLN 107 3.643 -2.834 -2.519 578 HA GLN 107 HA GLN 107 3.746 -5.081 -4.472 579 HB2 GLN 107 2HB GLN 107 5.865 -4.377 -2.413 580 HB3 GLN 107 3HB GLN 107 5.759 -5.932 -3.249 581 HG2 GLN 107 2HG GLN 107 6.021 -4.823 -5.439 582 HG3 GLN 107 3HG GLN 107 6.100 -3.243 -4.658 583 HE21 GLN 107 1HE2 GLN 107 7.924 -2.901 -3.066 584 HE22 GLN 107 2HE2 GLN 107 9.437 -3.775 -3.350 585 H ALA 108 H ALA 108 2.436 -6.648 -3.880 586 HA ALA 108 HA ALA 108 1.528 -6.867 -1.037 587 HB1 ALA 108 1HB ALA 108 -0.618 -7.615 -2.023 588 HB2 ALA 108 2HB ALA 108 -0.177 -5.980 -2.551 589 HB3 ALA 108 3HB ALA 108 0.043 -7.362 -3.646 590 H ARG 109 H ARG 109 2.212 -8.564 -0.011 591 HA ARG 109 HA ARG 109 2.765 -11.153 -1.437 592 HB2 ARG 109 2HB ARG 109 4.567 -9.326 0.127 593 HB3 ARG 109 3HB ARG 109 4.791 -11.027 0.373 594 HG2 ARG 109 2HG ARG 109 6.350 -10.486 -1.224 595 HG3 ARG 109 3HG ARG 109 5.068 -11.201 -2.203 596 HD2 ARG 109 2HD ARG 109 4.369 -9.029 -2.985 597 HD3 ARG 109 3HD ARG 109 5.319 -8.190 -1.755 598 HE ARG 109 HE ARG 109 6.281 -9.400 -4.283 599 HH11 ARG 109 1HH1 ARG 109 7.399 -7.857 -1.254 600 HH12 ARG 109 2HH1 ARG 109 8.907 -7.478 -2.005 601 HH21 ARG 109 1HH2 ARG 109 8.186 -8.783 -5.063 602 HH22 ARG 109 2HH2 ARG 109 9.254 -7.747 -4.112 603 H THR 110 H THR 110 3.542 -12.804 0.316 604 HA THR 110 HA THR 110 1.283 -13.097 2.216 605 HB THR 110 HB THR 110 1.703 -15.572 1.842 606 HG1 THR 110 1HG THR 110 3.493 -15.900 0.849 607 HG21 THR 110 1HG2 THR 110 -0.108 -14.294 0.700 608 HG22 THR 110 2HG2 THR 110 0.579 -15.555 -0.345 609 HG23 THR 110 3HG2 THR 110 1.026 -13.855 -0.596 610 HA PRO 111 HA PRO 111 3.632 -12.918 5.708 611 HB2 PRO 111 2HB PRO 111 2.616 -14.793 7.466 612 HB3 PRO 111 3HB PRO 111 1.790 -13.271 6.990 613 HG2 PRO 111 2HG PRO 111 1.376 -16.039 5.815 614 HG3 PRO 111 3HG PRO 111 0.132 -14.865 6.358 615 HD2 PRO 111 2HD PRO 111 0.767 -15.031 3.749 616 HD3 PRO 111 3HD PRO 111 0.556 -13.429 4.509 617 H ALA 112 H ALA 112 3.402 -16.461 4.852 618 HA ALA 112 HA ALA 112 5.722 -17.058 6.373 619 HB1 ALA 112 1HB ALA 112 4.453 -18.551 4.012 620 HB2 ALA 112 2HB ALA 112 5.632 -19.239 5.136 621 HB3 ALA 112 3HB ALA 112 4.041 -18.742 5.728 622 H GLN 113 H GLN 113 5.540 -15.888 2.972 623 HA GLN 113 HA GLN 113 8.438 -16.170 2.694 624 HB2 GLN 113 2HB GLN 113 8.326 -14.893 0.698 625 HB3 GLN 113 3HB GLN 113 7.090 -16.129 0.673 626 HG2 GLN 113 2HG GLN 113 5.363 -14.534 1.171 627 HG3 GLN 113 3HG GLN 113 6.526 -13.228 1.423 628 HE21 GLN 113 1HE2 GLN 113 4.457 -14.644 -0.897 629 HE22 GLN 113 2HE2 GLN 113 5.249 -13.950 -2.320 630 H TRP 114 H TRP 114 6.280 -13.450 3.858 631 HA TRP 114 HA TRP 114 8.470 -11.624 4.271 632 HB2 TRP 114 2HB TRP 114 6.057 -11.010 4.573 633 HB3 TRP 114 3HB TRP 114 6.031 -11.937 6.059 634 HD1 TRP 114 HD1 TRP 114 7.037 -10.805 8.148 635 HE1 TRP 114 HE1 TRP 114 8.158 -8.548 8.697 636 HE3 TRP 114 HE3 TRP 114 6.916 -8.728 3.504 637 HZ2 TRP 114 HZ2 TRP 114 8.912 -6.181 7.296 638 HZ3 TRP 114 HZ3 TRP 114 7.578 -6.362 3.224 639 HH2 TRP 114 HH2 TRP 114 8.701 -5.120 5.032 640 H ARG 115 H ARG 115 7.486 -14.454 6.130 641 HA ARG 115 HA ARG 115 9.055 -13.946 8.521 642 HB2 ARG 115 2HB ARG 115 8.293 -16.625 7.311 643 HB3 ARG 115 3HB ARG 115 8.946 -16.378 8.919 644 HG2 ARG 115 2HG ARG 115 6.929 -15.054 9.532 645 HG3 ARG 115 3HG ARG 115 6.277 -15.310 7.958 646 HD2 ARG 115 2HD ARG 115 5.176 -16.800 9.389 647 HD3 ARG 115 3HD ARG 115 6.222 -17.766 8.359 648 HE ARG 115 HE ARG 115 6.729 -17.115 11.256 649 HH11 ARG 115 1HH1 ARG 115 7.566 -19.250 8.532 650 HH12 ARG 115 2HH1 ARG 115 8.088 -20.476 9.672 651 HH21 ARG 115 1HH2 ARG 115 7.711 -18.553 12.450 652 HH22 ARG 115 2HH2 ARG 115 8.543 -19.935 11.701 653 H GLU 116 H GLU 116 9.942 -15.356 5.388 654 HA GLU 116 HA GLU 116 12.730 -15.828 6.317 655 HB2 GLU 116 2HB GLU 116 11.225 -16.359 3.740 656 HB3 GLU 116 3HB GLU 116 12.979 -16.564 3.891 657 HG2 GLU 116 2HG GLU 116 12.636 -18.244 5.675 658 HG3 GLU 116 3HG GLU 116 10.882 -18.068 5.499 659 H ASN 117 H ASN 117 11.379 -14.172 3.419 660 HA ASN 117 HA ASN 117 13.496 -12.083 3.543 661 HB2 ASN 117 2HB ASN 117 14.486 -14.206 2.623 662 HB3 ASN 117 3HB ASN 117 13.350 -14.133 1.290 663 HD21 ASN 117 1HD2 ASN 117 13.742 -12.568 -0.378 664 HD22 ASN 117 2HD2 ASN 117 15.249 -11.629 -0.424 665 H SER 118 H SER 118 10.382 -12.937 2.529 666 HA SER 118 HA SER 118 9.067 -12.744 0.761 667 HB2 SER 118 2HB SER 118 10.444 -10.174 0.011 668 HB3 SER 118 3HB SER 118 9.054 -10.891 -0.819 669 HG SER 118 HG SER 118 9.231 -10.042 1.896 Start of MODEL 7 1 HA PRO 31 HA PRO 31 0.324 12.876 7.640 2 HB2 PRO 31 2HB PRO 31 1.673 10.304 8.502 3 HB3 PRO 31 3HB PRO 31 2.373 11.693 7.617 4 HG2 PRO 31 2HG PRO 31 2.870 11.416 10.248 5 HG3 PRO 31 3HG PRO 31 2.421 13.031 9.606 6 HD2 PRO 31 2HD PRO 31 0.643 10.997 10.986 7 HD3 PRO 31 3HD PRO 31 0.782 12.758 11.282 8 H VAL 32 H VAL 32 0.076 11.691 5.613 9 HA VAL 32 HA VAL 32 -2.281 10.038 5.513 10 HB VAL 32 HB VAL 32 -2.019 9.704 3.227 11 HG11 VAL 32 1HG1 VAL 32 -0.890 12.465 3.780 12 HG12 VAL 32 2HG1 VAL 32 -1.750 11.930 2.323 13 HG13 VAL 32 3HG1 VAL 32 -2.606 11.993 3.868 14 HG21 VAL 32 1HG2 VAL 32 0.241 8.935 2.967 15 HG22 VAL 32 2HG2 VAL 32 -0.010 10.324 1.911 16 HG23 VAL 32 3HG2 VAL 32 0.888 10.538 3.422 17 H GLU 33 H GLU 33 0.863 9.217 6.408 18 HA GLU 33 HA GLU 33 0.897 6.460 5.503 19 HB2 GLU 33 2HB GLU 33 3.092 6.609 5.958 20 HB3 GLU 33 3HB GLU 33 2.822 8.330 6.151 21 HG2 GLU 33 2HG GLU 33 2.384 7.786 8.627 22 HG3 GLU 33 3HG GLU 33 3.036 6.180 8.184 23 H ALA 34 H ALA 34 0.107 8.237 8.484 24 HA ALA 34 HA ALA 34 -0.620 5.852 10.002 25 HB1 ALA 34 1HB ALA 34 -1.089 8.815 10.463 26 HB2 ALA 34 2HB ALA 34 -1.372 7.493 11.636 27 HB3 ALA 34 3HB ALA 34 0.259 7.836 11.069 28 H ALA 35 H ALA 35 -2.343 8.360 8.064 29 HA ALA 35 HA ALA 35 -4.975 7.373 8.553 30 HB1 ALA 35 1HB ALA 35 -4.412 9.565 7.482 31 HB2 ALA 35 2HB ALA 35 -3.937 8.682 6.007 32 HB3 ALA 35 3HB ALA 35 -5.612 8.623 6.575 33 H ILE 36 H ILE 36 -2.697 6.469 5.879 34 HA ILE 36 HA ILE 36 -4.452 4.478 4.799 35 HB ILE 36 HB ILE 36 -2.569 5.633 3.647 36 HG12 ILE 36 2HG1 ILE 36 -2.786 2.617 3.395 37 HG13 ILE 36 3HG1 ILE 36 -3.731 3.848 2.540 38 HG21 ILE 36 1HG2 ILE 36 -0.750 3.509 4.815 39 HG22 ILE 36 2HG2 ILE 36 -0.318 4.870 3.741 40 HG23 ILE 36 3HG2 ILE 36 -0.852 5.194 5.364 41 HD11 ILE 36 1HD1 ILE 36 -1.527 4.659 1.516 42 HD12 ILE 36 2HD1 ILE 36 -0.778 3.191 2.213 43 HD13 ILE 36 3HD1 ILE 36 -2.064 3.033 1.019 44 H ARG 37 H ARG 37 -1.706 4.183 7.123 45 HA ARG 37 HA ARG 37 -1.768 1.434 7.752 46 HB2 ARG 37 2HB ARG 37 -1.421 3.855 9.440 47 HB3 ARG 37 3HB ARG 37 -1.624 2.294 10.220 48 HG2 ARG 37 2HG ARG 37 0.228 1.351 8.880 49 HG3 ARG 37 3HG ARG 37 0.397 2.913 8.073 50 HD2 ARG 37 2HD ARG 37 1.745 3.623 9.746 51 HD3 ARG 37 3HD ARG 37 0.343 3.486 10.799 52 HE ARG 37 HE ARG 37 1.055 1.379 11.615 53 HH11 ARG 37 1HH1 ARG 37 3.716 2.897 9.890 54 HH12 ARG 37 2HH1 ARG 37 4.775 1.599 10.307 55 HH21 ARG 37 1HH2 ARG 37 2.451 -0.078 12.136 56 HH22 ARG 37 2HH2 ARG 37 4.062 -0.146 11.412 57 H THR 38 H THR 38 -3.777 3.795 9.419 58 HA THR 38 HA THR 38 -5.440 1.787 10.600 59 HB THR 38 HB THR 38 -6.082 4.734 10.304 60 HG1 THR 38 1HG THR 38 -4.422 3.182 11.911 61 HG21 THR 38 1HG2 THR 38 -7.436 4.392 12.341 62 HG22 THR 38 2HG2 THR 38 -7.117 2.643 12.282 63 HG23 THR 38 3HG2 THR 38 -8.077 3.432 11.010 64 H LYS 39 H LYS 39 -6.241 3.747 7.650 65 HA LYS 39 HA LYS 39 -8.838 2.505 7.387 66 HB2 LYS 39 2HB LYS 39 -7.117 4.238 5.661 67 HB3 LYS 39 3HB LYS 39 -8.256 3.207 4.819 68 HG2 LYS 39 2HG LYS 39 -9.231 5.399 5.265 69 HG3 LYS 39 3HG LYS 39 -10.140 4.094 6.013 70 HD2 LYS 39 2HD LYS 39 -9.088 4.669 8.236 71 HD3 LYS 39 3HD LYS 39 -8.220 5.980 7.431 72 HE2 LYS 39 2HE LYS 39 -10.065 7.006 8.442 73 HE3 LYS 39 3HE LYS 39 -10.497 6.920 6.734 74 HZ1 LYS 39 1HZ LYS 39 -11.420 5.048 8.853 75 HZ2 LYS 39 2HZ LYS 39 -11.912 5.022 7.279 76 HZ3 LYS 39 3HZ LYS 39 -12.307 6.288 8.252 77 H LEU 40 H LEU 40 -5.647 1.381 6.172 78 HA LEU 40 HA LEU 40 -6.898 -0.818 4.749 79 HB2 LEU 40 2HB LEU 40 -4.059 -0.048 5.398 80 HB3 LEU 40 3HB LEU 40 -4.425 -1.605 4.714 81 HG LEU 40 HG LEU 40 -3.736 0.222 3.106 82 HD11 LEU 40 1HD1 LEU 40 -5.296 -0.579 1.337 83 HD12 LEU 40 2HD1 LEU 40 -6.342 -1.275 2.586 84 HD13 LEU 40 3HD1 LEU 40 -4.696 -1.892 2.348 85 HD21 LEU 40 1HD2 LEU 40 -5.219 2.089 3.815 86 HD22 LEU 40 2HD2 LEU 40 -6.626 1.155 3.258 87 HD23 LEU 40 3HD2 LEU 40 -5.380 1.680 2.113 88 H GLU 41 H GLU 41 -5.524 -0.529 8.106 89 HA GLU 41 HA GLU 41 -6.035 -3.293 8.649 90 HB2 GLU 41 2HB GLU 41 -5.161 -1.015 10.188 91 HB3 GLU 41 3HB GLU 41 -6.565 -1.711 11.001 92 HG2 GLU 41 2HG GLU 41 -5.447 -4.006 10.561 93 HG3 GLU 41 3HG GLU 41 -3.978 -3.107 10.214 94 H GLU 42 H GLU 42 -8.220 -0.465 8.768 95 HA GLU 42 HA GLU 42 -10.530 -1.854 9.658 96 HB2 GLU 42 2HB GLU 42 -10.730 0.411 9.825 97 HB3 GLU 42 3HB GLU 42 -9.791 0.730 8.380 98 HG2 GLU 42 2HG GLU 42 -11.648 0.094 6.967 99 HG3 GLU 42 3HG GLU 42 -12.689 -0.126 8.393 100 H ALA 43 H ALA 43 -9.160 -1.434 6.385 101 HA ALA 43 HA ALA 43 -11.351 -2.603 4.978 102 HB1 ALA 43 1HB ALA 43 -9.767 -0.952 4.039 103 HB2 ALA 43 2HB ALA 43 -8.464 -2.162 4.141 104 HB3 ALA 43 3HB ALA 43 -9.840 -2.419 3.051 105 H LEU 44 H LEU 44 -8.088 -4.071 5.659 106 HA LEU 44 HA LEU 44 -9.256 -6.719 4.935 107 HB2 LEU 44 2HB LEU 44 -7.334 -7.355 3.763 108 HB3 LEU 44 3HB LEU 44 -7.949 -5.879 3.063 109 HG LEU 44 HG LEU 44 -5.798 -5.568 5.151 110 HD11 LEU 44 1HD1 LEU 44 -3.998 -6.063 3.583 111 HD12 LEU 44 2HD1 LEU 44 -5.190 -6.610 2.380 112 HD13 LEU 44 3HD1 LEU 44 -4.968 -7.516 3.895 113 HD21 LEU 44 1HD2 LEU 44 -6.130 -4.370 2.378 114 HD22 LEU 44 2HD2 LEU 44 -5.066 -3.803 3.692 115 HD23 LEU 44 3HD2 LEU 44 -6.831 -3.689 3.847 116 H SER 45 H SER 45 -7.510 -5.032 7.347 117 HA SER 45 HA SER 45 -6.332 -5.613 9.167 118 HB2 SER 45 2HB SER 45 -7.067 -7.407 10.509 119 HB3 SER 45 3HB SER 45 -8.445 -6.651 9.695 120 HG SER 45 HG SER 45 -7.891 -8.458 8.065 121 HA PRO 46 HA PRO 46 -2.832 -7.616 6.772 122 HB2 PRO 46 2HB PRO 46 -1.646 -5.598 8.676 123 HB3 PRO 46 3HB PRO 46 -1.049 -6.027 7.074 124 HG2 PRO 46 2HG PRO 46 -2.467 -3.782 7.449 125 HG3 PRO 46 3HG PRO 46 -2.858 -4.819 6.021 126 HD2 PRO 46 2HD PRO 46 -4.275 -4.598 8.664 127 HD3 PRO 46 3HD PRO 46 -4.983 -4.760 7.033 128 H GLU 47 H GLU 47 -0.968 -8.795 7.537 129 HA GLU 47 HA GLU 47 -0.650 -9.634 10.359 130 HB2 GLU 47 2HB GLU 47 0.056 -11.016 8.306 131 HB3 GLU 47 3HB GLU 47 1.300 -9.803 8.059 132 HG2 GLU 47 2HG GLU 47 2.349 -11.384 9.280 133 HG3 GLU 47 3HG GLU 47 2.035 -10.180 10.484 134 H VAL 48 H VAL 48 0.799 -7.486 7.863 135 HA VAL 48 HA VAL 48 2.390 -5.916 9.825 136 HB VAL 48 HB VAL 48 3.255 -8.403 8.488 137 HG11 VAL 48 1HG1 VAL 48 5.379 -6.271 8.355 138 HG12 VAL 48 2HG1 VAL 48 5.371 -7.970 7.784 139 HG13 VAL 48 3HG1 VAL 48 4.417 -6.759 6.948 140 HG21 VAL 48 1HG2 VAL 48 4.570 -6.695 10.616 141 HG22 VAL 48 2HG2 VAL 48 3.489 -8.090 10.890 142 HG23 VAL 48 3HG2 VAL 48 5.065 -8.328 10.132 143 H LEU 49 H LEU 49 3.485 -4.114 8.850 144 HA LEU 49 HA LEU 49 3.636 -3.900 6.003 145 HB2 LEU 49 2HB LEU 49 2.456 -1.646 5.859 146 HB3 LEU 49 3HB LEU 49 1.505 -3.113 5.849 147 HG LEU 49 HG LEU 49 0.751 -2.749 8.129 148 HD11 LEU 49 1HD1 LEU 49 2.408 -0.187 8.050 149 HD12 LEU 49 2HD1 LEU 49 2.641 -1.581 9.138 150 HD13 LEU 49 3HD1 LEU 49 1.198 -0.616 9.287 151 HD21 LEU 49 1HD2 LEU 49 0.467 -0.266 6.367 152 HD22 LEU 49 2HD2 LEU 49 -0.630 -0.769 7.675 153 HD23 LEU 49 3HD2 LEU 49 -0.474 -1.766 6.224 154 H GLU 50 H GLU 50 4.922 -2.174 5.202 155 HA GLU 50 HA GLU 50 6.342 -0.450 7.126 156 HB2 GLU 50 2HB GLU 50 7.767 -2.252 5.150 157 HB3 GLU 50 3HB GLU 50 8.476 -0.939 6.040 158 HG2 GLU 50 2HG GLU 50 7.782 -2.158 8.187 159 HG3 GLU 50 3HG GLU 50 7.458 -3.563 7.172 160 H LEU 51 H LEU 51 6.559 1.530 6.184 161 HA LEU 51 HA LEU 51 6.002 1.914 3.331 162 HB2 LEU 51 2HB LEU 51 3.818 2.661 3.430 163 HB3 LEU 51 3HB LEU 51 3.815 1.226 4.448 164 HG LEU 51 HG LEU 51 3.921 4.076 5.307 165 HD11 LEU 51 1HD1 LEU 51 1.678 2.104 5.873 166 HD12 LEU 51 2HD1 LEU 51 1.663 3.260 4.530 167 HD13 LEU 51 3HD1 LEU 51 1.695 3.864 6.181 168 HD21 LEU 51 1HD2 LEU 51 3.806 1.610 7.080 169 HD22 LEU 51 2HD2 LEU 51 3.495 3.271 7.654 170 HD23 LEU 51 3HD2 LEU 51 5.087 2.841 7.038 171 H ARG 52 H ARG 52 5.806 4.200 2.624 172 HA ARG 52 HA ARG 52 6.936 6.304 4.332 173 HB2 ARG 52 2HB ARG 52 8.937 4.956 3.937 174 HB3 ARG 52 3HB ARG 52 8.602 4.874 2.209 175 HG2 ARG 52 2HG ARG 52 9.073 7.219 1.924 176 HG3 ARG 52 3HG ARG 52 9.189 7.475 3.682 177 HD2 ARG 52 2HD ARG 52 11.183 6.116 3.801 178 HD3 ARG 52 3HD ARG 52 11.023 5.608 2.118 179 HE ARG 52 HE ARG 52 12.129 8.127 3.104 180 HH11 ARG 52 1HH1 ARG 52 10.818 6.572 0.194 181 HH12 ARG 52 2HH1 ARG 52 11.682 7.708 -0.819 182 HH21 ARG 52 1HH2 ARG 52 13.151 9.459 1.667 183 HH22 ARG 52 2HH2 ARG 52 12.774 9.303 -0.046 184 H ASN 53 H ASN 53 6.626 8.348 3.437 185 HA ASN 53 HA ASN 53 5.521 8.485 0.725 186 HB2 ASN 53 2HB ASN 53 4.657 10.523 1.221 187 HB3 ASN 53 3HB ASN 53 4.464 9.565 2.676 188 HD21 ASN 53 1HD2 ASN 53 3.992 11.599 3.678 189 HD22 ASN 53 2HD2 ASN 53 5.288 12.695 4.115 190 H GLU 54 H GLU 54 6.343 9.417 -1.017 191 HA GLU 54 HA GLU 54 9.299 9.921 -1.030 192 HB2 GLU 54 2HB GLU 54 9.360 8.997 -3.244 193 HB3 GLU 54 3HB GLU 54 8.689 7.840 -2.093 194 HG2 GLU 54 2HG GLU 54 6.400 8.346 -2.909 195 HG3 GLU 54 3HG GLU 54 7.073 9.546 -4.024 196 H SER 55 H SER 55 6.360 11.493 -1.457 197 HA SER 55 HA SER 55 6.677 13.267 -3.553 198 HB2 SER 55 2HB SER 55 4.947 14.520 -2.453 199 HB3 SER 55 3HB SER 55 4.705 12.763 -2.250 200 HG SER 55 HG SER 55 4.901 14.644 -0.377 201 H GLY 56 H GLY 56 8.587 13.388 -0.712 202 HA2 GLY 56 2HA GLY 56 9.228 16.231 -0.726 203 HA3 GLY 56 3HA GLY 56 10.237 14.927 -0.085 204 H GLY 57 H GLY 57 10.031 13.567 -2.822 205 HA2 GLY 57 2HA GLY 57 12.130 15.044 -4.296 206 HA3 GLY 57 3HA GLY 57 11.676 13.368 -4.515 207 H HIS 58 H HIS 58 9.128 15.831 -4.463 208 HA HIS 58 HA HIS 58 8.850 15.531 -7.430 209 HB2 HIS 58 2HB HIS 58 6.791 15.167 -5.246 210 HB3 HIS 58 3HB HIS 58 6.305 15.732 -6.828 211 HD1 HIS 58 1HD HIS 58 6.486 14.134 -8.883 212 HD2 HIS 58 2HD HIS 58 8.008 12.603 -5.283 213 HE1 HIS 58 1HE HIS 58 7.065 11.674 -9.335 214 H ALA 59 H ALA 59 7.474 17.117 -8.490 215 HA ALA 59 HA ALA 59 8.489 19.780 -7.853 216 HB1 ALA 59 1HB ALA 59 8.610 18.778 -10.126 217 HB2 ALA 59 2HB ALA 59 6.837 18.819 -10.213 218 HB3 ALA 59 3HB ALA 59 7.766 20.330 -10.087 219 H VAL 60 H VAL 60 7.065 19.491 -5.803 220 HA VAL 60 HA VAL 60 4.243 20.391 -6.209 221 HB VAL 60 HB VAL 60 3.673 18.979 -4.232 222 HG11 VAL 60 1HG1 VAL 60 3.721 16.843 -5.406 223 HG12 VAL 60 2HG1 VAL 60 3.250 18.177 -6.472 224 HG13 VAL 60 3HG1 VAL 60 4.885 17.494 -6.577 225 HG21 VAL 60 1HG2 VAL 60 6.437 17.762 -4.494 226 HG22 VAL 60 2HG2 VAL 60 5.897 18.804 -3.161 227 HG23 VAL 60 3HG2 VAL 60 5.123 17.238 -3.435 228 HA PRO 61 HA PRO 61 4.664 23.573 -3.104 229 HB2 PRO 61 2HB PRO 61 2.286 22.277 -1.758 230 HB3 PRO 61 3HB PRO 61 2.586 24.011 -2.091 231 HG2 PRO 61 2HG PRO 61 0.928 22.615 -3.695 232 HG3 PRO 61 3HG PRO 61 2.140 23.718 -4.428 233 HD2 PRO 61 2HD PRO 61 2.294 20.717 -4.070 234 HD3 PRO 61 3HD PRO 61 2.689 21.703 -5.511 235 HA PRO 62 HA PRO 62 7.214 21.757 -0.098 236 HB2 PRO 62 2HB PRO 62 7.146 23.485 2.068 237 HB3 PRO 62 3HB PRO 62 7.987 23.819 0.524 238 HG2 PRO 62 2HG PRO 62 5.204 24.702 1.357 239 HG3 PRO 62 3HG PRO 62 6.513 25.695 0.634 240 HD2 PRO 62 2HD PRO 62 4.529 24.692 -0.895 241 HD3 PRO 62 3HD PRO 62 6.213 24.687 -1.502 242 H GLY 63 H GLY 63 7.073 20.093 1.214 243 HA2 GLY 63 2HA GLY 63 6.417 18.661 2.890 244 HA3 GLY 63 3HA GLY 63 5.287 19.874 3.488 245 H SER 64 H SER 64 4.383 19.505 0.292 246 HA SER 64 HA SER 64 1.950 18.330 1.019 247 HB2 SER 64 2HB SER 64 2.400 19.871 -0.933 248 HB3 SER 64 3HB SER 64 3.014 18.455 -1.820 249 HG SER 64 HG SER 64 0.782 18.724 -2.216 250 H GLU 65 H GLU 65 1.318 16.397 1.319 251 HA GLU 65 HA GLU 65 3.037 14.054 0.895 252 HB2 GLU 65 2HB GLU 65 0.335 14.294 2.252 253 HB3 GLU 65 3HB GLU 65 1.383 12.876 2.273 254 HG2 GLU 65 2HG GLU 65 3.061 14.091 3.559 255 HG3 GLU 65 3HG GLU 65 2.122 15.585 3.448 256 H THR 66 H THR 66 2.605 14.594 -1.661 257 HA THR 66 HA THR 66 0.025 13.615 -2.592 258 HB THR 66 HB THR 66 0.789 14.169 -4.808 259 HG1 THR 66 1HG THR 66 2.789 14.643 -5.280 260 HG21 THR 66 1HG2 THR 66 0.140 16.084 -3.278 261 HG22 THR 66 2HG2 THR 66 1.219 16.521 -4.616 262 HG23 THR 66 3HG2 THR 66 1.874 16.346 -2.978 263 H HIS 67 H HIS 67 3.065 12.143 -2.051 264 HA HIS 67 HA HIS 67 2.603 10.034 -4.095 265 HB2 HIS 67 2HB HIS 67 4.347 12.214 -4.204 266 HB3 HIS 67 3HB HIS 67 5.358 10.880 -3.741 267 HD1 HIS 67 1HD HIS 67 5.918 9.246 -5.986 268 HD2 HIS 67 2HD HIS 67 2.661 11.852 -6.164 269 HE1 HIS 67 1HE HIS 67 5.260 9.344 -8.429 270 H PHE 68 H PHE 68 2.880 8.015 -3.389 271 HA PHE 68 HA PHE 68 4.348 7.589 -0.817 272 HB2 PHE 68 2HB PHE 68 1.843 8.215 -0.734 273 HB3 PHE 68 3HB PHE 68 1.507 6.617 -1.336 274 HD1 PHE 68 1HD PHE 68 1.918 4.655 0.087 275 HD2 PHE 68 2HD PHE 68 2.699 8.647 1.497 276 HE1 PHE 68 1HE PHE 68 2.070 3.814 2.424 277 HE2 PHE 68 2HE PHE 68 2.858 7.776 3.861 278 HZ PHE 68 HZ PHE 68 2.519 5.388 4.276 279 H ARG 69 H ARG 69 4.892 5.492 -0.114 280 HA ARG 69 HA ARG 69 4.426 3.253 -1.998 281 HB2 ARG 69 2HB ARG 69 6.821 4.107 -2.210 282 HB3 ARG 69 3HB ARG 69 7.052 3.674 -0.517 283 HG2 ARG 69 2HG ARG 69 7.914 1.829 -1.740 284 HG3 ARG 69 3HG ARG 69 6.350 1.271 -1.172 285 HD2 ARG 69 2HD ARG 69 6.110 0.645 -3.420 286 HD3 ARG 69 3HD ARG 69 5.546 2.290 -3.513 287 HE ARG 69 HE ARG 69 7.366 2.906 -4.764 288 HH11 ARG 69 1HH1 ARG 69 8.391 -0.132 -3.225 289 HH12 ARG 69 2HH1 ARG 69 9.818 -0.165 -4.247 290 HH21 ARG 69 1HH2 ARG 69 9.106 2.772 -5.853 291 HH22 ARG 69 2HH2 ARG 69 10.264 1.460 -5.637 292 H VAL 70 H VAL 70 3.604 1.505 -1.076 293 HA VAL 70 HA VAL 70 3.882 1.111 1.878 294 HB VAL 70 HB VAL 70 1.682 -0.416 0.641 295 HG11 VAL 70 1HG1 VAL 70 1.748 1.436 3.042 296 HG12 VAL 70 2HG1 VAL 70 0.569 0.167 2.700 297 HG13 VAL 70 3HG1 VAL 70 2.247 -0.272 3.081 298 HG21 VAL 70 1HG2 VAL 70 1.227 1.586 -0.666 299 HG22 VAL 70 2HG2 VAL 70 0.007 1.322 0.583 300 HG23 VAL 70 3HG2 VAL 70 1.241 2.570 0.813 301 H ALA 71 H ALA 71 4.810 -0.721 2.529 302 HA ALA 71 HA ALA 71 4.665 -3.101 0.699 303 HB1 ALA 71 1HB ALA 71 6.425 -4.147 1.941 304 HB2 ALA 71 2HB ALA 71 7.000 -2.546 1.436 305 HB3 ALA 71 3HB ALA 71 6.486 -2.831 3.119 306 H VAL 72 H VAL 72 3.248 -4.667 1.281 307 HA VAL 72 HA VAL 72 1.955 -4.486 3.964 308 HB VAL 72 HB VAL 72 -0.262 -4.844 2.890 309 HG11 VAL 72 1HG1 VAL 72 1.097 -2.248 2.114 310 HG12 VAL 72 2HG1 VAL 72 -0.643 -2.501 2.363 311 HG13 VAL 72 3HG1 VAL 72 0.475 -2.629 3.733 312 HG21 VAL 72 1HG2 VAL 72 0.398 -5.572 0.618 313 HG22 VAL 72 2HG2 VAL 72 -0.630 -4.141 0.559 314 HG23 VAL 72 3HG2 VAL 72 1.119 -3.982 0.305 315 H VAL 73 H VAL 73 1.495 -6.325 4.941 316 HA VAL 73 HA VAL 73 1.879 -8.871 3.442 317 HB VAL 73 HB VAL 73 2.835 -8.271 6.233 318 HG11 VAL 73 1HG1 VAL 73 4.052 -10.364 6.034 319 HG12 VAL 73 2HG1 VAL 73 2.333 -10.664 5.798 320 HG13 VAL 73 3HG1 VAL 73 3.422 -10.614 4.388 321 HG21 VAL 73 1HG2 VAL 73 4.221 -6.967 4.704 322 HG22 VAL 73 2HG2 VAL 73 5.130 -8.391 5.210 323 HG23 VAL 73 3HG2 VAL 73 4.375 -8.333 3.605 324 H SER 74 H SER 74 0.212 -10.251 3.616 325 HA SER 74 HA SER 74 -1.563 -10.258 6.019 326 HB2 SER 74 2HB SER 74 -2.519 -8.481 4.707 327 HB3 SER 74 3HB SER 74 -2.397 -9.436 3.219 328 HG SER 74 HG SER 74 -4.046 -10.129 5.457 329 H SER 75 H SER 75 -2.743 -12.113 6.338 330 HA SER 75 HA SER 75 -2.035 -14.540 4.916 331 HB2 SER 75 2HB SER 75 -4.308 -13.967 6.857 332 HB3 SER 75 3HB SER 75 -3.871 -15.568 6.245 333 HG SER 75 HG SER 75 -2.367 -13.827 7.900 334 H ARG 76 H ARG 76 -4.313 -12.065 4.141 335 HA ARG 76 HA ARG 76 -6.379 -13.667 2.882 336 HB2 ARG 76 2HB ARG 76 -5.697 -10.717 2.684 337 HB3 ARG 76 3HB ARG 76 -7.069 -11.505 1.928 338 HG2 ARG 76 2HG ARG 76 -7.624 -12.400 4.339 339 HG3 ARG 76 3HG ARG 76 -6.511 -11.138 4.889 340 HD2 ARG 76 2HD ARG 76 -7.888 -9.453 3.622 341 HD3 ARG 76 3HD ARG 76 -9.023 -10.741 3.203 342 HE ARG 76 HE ARG 76 -8.681 -9.360 5.765 343 HH11 ARG 76 1HH1 ARG 76 -10.097 -12.310 4.419 344 HH12 ARG 76 2HH1 ARG 76 -11.248 -12.385 5.760 345 HH21 ARG 76 1HH2 ARG 76 -10.415 -9.483 7.220 346 HH22 ARG 76 2HH2 ARG 76 -11.370 -10.955 7.201 347 H PHE 77 H PHE 77 -3.317 -12.547 1.712 348 HA PHE 77 HA PHE 77 -4.070 -12.343 -1.070 349 HB2 PHE 77 2HB PHE 77 -1.354 -12.219 0.272 350 HB3 PHE 77 3HB PHE 77 -1.732 -11.709 -1.360 351 HD1 PHE 77 1HD PHE 77 -0.241 -10.017 0.391 352 HD2 PHE 77 2HD PHE 77 -4.516 -10.308 -0.089 353 HE1 PHE 77 1HE PHE 77 -0.490 -7.686 1.201 354 HE2 PHE 77 2HE PHE 77 -4.760 -7.983 0.664 355 HZ PHE 77 HZ PHE 77 -2.762 -6.654 1.343 356 H GLU 78 H GLU 78 -4.480 -15.013 0.032 357 HA GLU 78 HA GLU 78 -2.284 -16.607 -0.983 358 HB2 GLU 78 2HB GLU 78 -3.701 -18.498 -0.150 359 HB3 GLU 78 3HB GLU 78 -3.108 -17.363 1.061 360 HG2 GLU 78 2HG GLU 78 -5.280 -16.374 1.339 361 HG3 GLU 78 3HG GLU 78 -5.898 -17.125 -0.136 362 H GLY 79 H GLY 79 -2.346 -18.148 -2.664 363 HA2 GLY 79 2HA GLY 79 -3.215 -19.516 -4.287 364 HA3 GLY 79 3HA GLY 79 -4.834 -19.100 -3.727 365 H LEU 80 H LEU 80 -2.740 -16.535 -4.904 366 HA LEU 80 HA LEU 80 -3.781 -16.584 -7.656 367 HB2 LEU 80 2HB LEU 80 -3.898 -13.976 -7.080 368 HB3 LEU 80 3HB LEU 80 -5.294 -15.042 -7.059 369 HG LEU 80 HG LEU 80 -5.042 -15.089 -4.675 370 HD11 LEU 80 1HD1 LEU 80 -2.691 -14.625 -4.251 371 HD12 LEU 80 2HD1 LEU 80 -3.646 -13.353 -3.506 372 HD13 LEU 80 3HD1 LEU 80 -2.813 -13.059 -5.055 373 HD21 LEU 80 1HD2 LEU 80 -5.208 -12.267 -5.732 374 HD22 LEU 80 2HD2 LEU 80 -5.893 -12.879 -4.197 375 HD23 LEU 80 3HD2 LEU 80 -6.520 -13.464 -5.737 376 H SER 81 H SER 81 -2.413 -15.418 -9.123 377 HA SER 81 HA SER 81 0.381 -15.576 -8.397 378 HB2 SER 81 2HB SER 81 -0.560 -16.185 -10.612 379 HB3 SER 81 3HB SER 81 -0.800 -14.462 -10.955 380 HG SER 81 HG SER 81 1.298 -15.724 -11.497 381 HA PRO 82 HA PRO 82 1.044 -11.547 -6.786 382 HB2 PRO 82 2HB PRO 82 3.583 -11.479 -8.424 383 HB3 PRO 82 3HB PRO 82 3.331 -11.023 -6.714 384 HG2 PRO 82 2HG PRO 82 4.370 -13.444 -7.314 385 HG3 PRO 82 3HG PRO 82 3.094 -13.316 -6.059 386 HD2 PRO 82 2HD PRO 82 2.821 -14.175 -8.946 387 HD3 PRO 82 3HD PRO 82 2.090 -14.870 -7.473 388 H LEU 83 H LEU 83 1.998 -11.489 -10.284 389 HA LEU 83 HA LEU 83 1.336 -8.745 -10.680 390 HB2 LEU 83 2HB LEU 83 2.805 -10.111 -12.104 391 HB3 LEU 83 3HB LEU 83 1.441 -11.071 -12.644 392 HG LEU 83 HG LEU 83 2.373 -9.376 -14.239 393 HD11 LEU 83 1HD1 LEU 83 0.093 -10.347 -14.501 394 HD12 LEU 83 2HD1 LEU 83 0.313 -8.746 -15.228 395 HD13 LEU 83 3HD1 LEU 83 -0.575 -8.894 -13.708 396 HD21 LEU 83 1HD2 LEU 83 1.774 -7.040 -14.066 397 HD22 LEU 83 2HD2 LEU 83 2.707 -7.513 -12.636 398 HD23 LEU 83 3HD2 LEU 83 0.942 -7.309 -12.526 399 H GLN 84 H GLN 84 -0.640 -11.684 -11.073 400 HA GLN 84 HA GLN 84 -3.038 -10.555 -12.076 401 HB2 GLN 84 2HB GLN 84 -2.779 -12.899 -12.084 402 HB3 GLN 84 3HB GLN 84 -2.308 -12.947 -10.405 403 HG2 GLN 84 2HG GLN 84 -4.688 -12.390 -9.759 404 HG3 GLN 84 3HG GLN 84 -5.120 -12.634 -11.454 405 HE21 GLN 84 1HE2 GLN 84 -6.302 -14.278 -9.477 406 HE22 GLN 84 2HE2 GLN 84 -5.631 -15.889 -9.676 407 H ARG 85 H ARG 85 -2.033 -10.966 -8.601 408 HA ARG 85 HA ARG 85 -4.442 -9.620 -7.704 409 HB2 ARG 85 2HB ARG 85 -3.854 -9.961 -5.626 410 HB3 ARG 85 3HB ARG 85 -2.969 -11.275 -6.368 411 HG2 ARG 85 2HG ARG 85 -0.866 -10.272 -5.937 412 HG3 ARG 85 3HG ARG 85 -1.516 -8.663 -5.713 413 HD2 ARG 85 2HD ARG 85 -1.975 -10.973 -3.790 414 HD3 ARG 85 3HD ARG 85 -0.842 -9.649 -3.576 415 HE ARG 85 HE ARG 85 -2.598 -8.103 -3.166 416 HH11 ARG 85 1HH1 ARG 85 -3.938 -11.320 -3.554 417 HH12 ARG 85 2HH1 ARG 85 -5.430 -10.842 -2.762 418 HH21 ARG 85 1HH2 ARG 85 -4.564 -7.564 -2.439 419 HH22 ARG 85 2HH2 ARG 85 -5.892 -8.719 -2.453 420 H HIS 86 H HIS 86 -1.127 -8.428 -8.170 421 HA HIS 86 HA HIS 86 -1.543 -5.778 -7.250 422 HB2 HIS 86 2HB HIS 86 0.331 -7.240 -9.025 423 HB3 HIS 86 3HB HIS 86 0.269 -5.485 -9.264 424 HD1 HIS 86 1HD HIS 86 2.069 -4.323 -7.858 425 HD2 HIS 86 2HD HIS 86 0.697 -7.921 -6.198 426 HE1 HIS 86 1HE HIS 86 3.518 -4.756 -5.819 427 H ARG 87 H ARG 87 -1.964 -7.082 -10.621 428 HA ARG 87 HA ARG 87 -3.113 -4.767 -11.778 429 HB2 ARG 87 2HB ARG 87 -2.335 -6.861 -12.927 430 HB3 ARG 87 3HB ARG 87 -3.809 -7.676 -12.421 431 HG2 ARG 87 2HG ARG 87 -3.814 -5.111 -14.074 432 HG3 ARG 87 3HG ARG 87 -3.635 -6.711 -14.796 433 HD2 ARG 87 2HD ARG 87 -5.831 -7.389 -13.883 434 HD3 ARG 87 3HD ARG 87 -6.074 -5.751 -13.250 435 HE ARG 87 HE ARG 87 -5.455 -5.432 -15.960 436 HH11 ARG 87 1HH1 ARG 87 -8.071 -6.994 -14.178 437 HH12 ARG 87 2HH1 ARG 87 -9.207 -6.773 -15.481 438 HH21 ARG 87 1HH2 ARG 87 -7.036 -5.081 -17.509 439 HH22 ARG 87 2HH2 ARG 87 -8.536 -5.992 -17.427 440 H LEU 88 H LEU 88 -4.813 -7.417 -10.019 441 HA LEU 88 HA LEU 88 -7.412 -6.338 -10.269 442 HB2 LEU 88 2HB LEU 88 -6.449 -8.590 -9.245 443 HB3 LEU 88 3HB LEU 88 -6.576 -7.732 -7.719 444 HG LEU 88 HG LEU 88 -8.846 -8.208 -9.709 445 HD11 LEU 88 1HD1 LEU 88 -9.641 -9.881 -8.118 446 HD12 LEU 88 2HD1 LEU 88 -8.260 -9.563 -7.044 447 HD13 LEU 88 3HD1 LEU 88 -8.008 -10.285 -8.653 448 HD21 LEU 88 1HD2 LEU 88 -10.337 -7.589 -7.815 449 HD22 LEU 88 2HD2 LEU 88 -9.353 -6.241 -8.362 450 HD23 LEU 88 3HD2 LEU 88 -8.914 -7.104 -6.865 451 H VAL 89 H VAL 89 -5.098 -5.738 -7.559 452 HA VAL 89 HA VAL 89 -6.730 -3.812 -6.197 453 HB VAL 89 HB VAL 89 -3.708 -4.207 -6.216 454 HG11 VAL 89 1HG1 VAL 89 -4.108 -1.985 -5.313 455 HG12 VAL 89 2HG1 VAL 89 -5.447 -2.591 -4.305 456 HG13 VAL 89 3HG1 VAL 89 -3.778 -3.077 -3.970 457 HG21 VAL 89 1HG2 VAL 89 -5.804 -5.095 -4.186 458 HG22 VAL 89 2HG2 VAL 89 -5.045 -6.162 -5.382 459 HG23 VAL 89 3HG2 VAL 89 -4.052 -5.405 -4.137 460 H HIS 90 H HIS 90 -4.439 -3.417 -8.829 461 HA HIS 90 HA HIS 90 -4.212 -0.521 -8.653 462 HB2 HIS 90 2HB HIS 90 -3.471 -2.493 -10.860 463 HB3 HIS 90 3HB HIS 90 -3.111 -0.779 -10.898 464 HD1 HIS 90 1HD HIS 90 -0.605 -1.904 -11.291 465 HD2 HIS 90 2HD HIS 90 -2.296 -2.136 -7.442 466 HE1 HIS 90 1HE HIS 90 1.298 -2.480 -9.692 467 H ALA 91 H ALA 91 -6.202 -2.774 -10.602 468 HA ALA 91 HA ALA 91 -7.461 -0.495 -11.974 469 HB1 ALA 91 1HB ALA 91 -6.886 -2.578 -13.224 470 HB2 ALA 91 2HB ALA 91 -7.905 -3.532 -12.124 471 HB3 ALA 91 3HB ALA 91 -8.643 -2.348 -13.212 472 H ALA 92 H ALA 92 -8.555 -3.016 -9.664 473 HA ALA 92 HA ALA 92 -11.184 -1.857 -9.492 474 HB1 ALA 92 1HB ALA 92 -10.635 -4.262 -8.908 475 HB2 ALA 92 2HB ALA 92 -9.794 -3.665 -7.445 476 HB3 ALA 92 3HB ALA 92 -11.524 -3.405 -7.630 477 H LEU 93 H LEU 93 -8.196 -1.523 -7.448 478 HA LEU 93 HA LEU 93 -9.898 0.175 -5.641 479 HB2 LEU 93 2HB LEU 93 -7.641 -1.720 -5.012 480 HB3 LEU 93 3HB LEU 93 -8.372 -0.599 -3.891 481 HG LEU 93 HG LEU 93 -9.428 -3.183 -5.008 482 HD11 LEU 93 1HD1 LEU 93 -8.477 -2.696 -2.789 483 HD12 LEU 93 2HD1 LEU 93 -10.161 -3.293 -2.696 484 HD13 LEU 93 3HD1 LEU 93 -9.811 -1.529 -2.516 485 HD21 LEU 93 1HD2 LEU 93 -11.381 -0.963 -4.207 486 HD22 LEU 93 2HD2 LEU 93 -11.764 -2.689 -4.249 487 HD23 LEU 93 3HD2 LEU 93 -11.383 -1.860 -5.736 488 H ALA 94 H ALA 94 -8.197 0.951 -7.899 489 HA ALA 94 HA ALA 94 -6.069 2.560 -6.923 490 HB1 ALA 94 1HB ALA 94 -6.345 3.946 -8.958 491 HB2 ALA 94 2HB ALA 94 -6.618 2.256 -9.372 492 HB3 ALA 94 3HB ALA 94 -8.002 3.341 -9.167 493 H GLU 95 H GLU 95 -9.524 3.398 -6.811 494 HA GLU 95 HA GLU 95 -8.915 6.093 -5.828 495 HB2 GLU 95 2HB GLU 95 -11.589 4.655 -6.107 496 HB3 GLU 95 3HB GLU 95 -11.354 6.348 -5.734 497 HG2 GLU 95 2HG GLU 95 -10.284 6.712 -7.939 498 HG3 GLU 95 3HG GLU 95 -10.503 5.001 -8.335 499 H GLU 96 H GLU 96 -9.323 2.909 -4.352 500 HA GLU 96 HA GLU 96 -10.242 3.866 -1.792 501 HB2 GLU 96 2HB GLU 96 -9.324 1.237 -3.034 502 HB3 GLU 96 3HB GLU 96 -9.883 1.469 -1.426 503 HG2 GLU 96 2HG GLU 96 -11.892 2.645 -2.977 504 HG3 GLU 96 3HG GLU 96 -11.335 1.332 -3.958 505 H LEU 97 H LEU 97 -7.310 2.326 -3.245 506 HA LEU 97 HA LEU 97 -5.739 2.679 -0.813 507 HB2 LEU 97 2HB LEU 97 -5.815 0.943 -2.920 508 HB3 LEU 97 3HB LEU 97 -4.476 1.947 -3.429 509 HG LEU 97 HG LEU 97 -4.688 0.626 -0.674 510 HD11 LEU 97 1HD1 LEU 97 -3.330 -0.434 -3.184 511 HD12 LEU 97 2HD1 LEU 97 -4.763 -1.117 -2.380 512 HD13 LEU 97 3HD1 LEU 97 -3.205 -1.143 -1.551 513 HD21 LEU 97 1HD2 LEU 97 -2.275 0.898 -0.572 514 HD22 LEU 97 2HD2 LEU 97 -3.042 2.467 -0.873 515 HD23 LEU 97 3HD2 LEU 97 -2.247 1.594 -2.207 516 H GLY 98 H GLY 98 -6.042 4.274 -4.007 517 HA2 GLY 98 2HA GLY 98 -4.341 6.561 -3.236 518 HA3 GLY 98 3HA GLY 98 -5.328 6.334 -4.687 519 H GLY 99 H GLY 99 -6.504 5.754 -1.538 520 HA2 GLY 99 2HA GLY 99 -8.880 7.417 -1.841 521 HA3 GLY 99 3HA GLY 99 -8.429 6.486 -0.410 522 HA PRO 100 HA PRO 100 -6.689 10.422 1.028 523 HB2 PRO 100 2HB PRO 100 -4.935 9.713 2.927 524 HB3 PRO 100 3HB PRO 100 -6.644 9.157 2.969 525 HG2 PRO 100 2HG PRO 100 -4.242 7.577 2.084 526 HG3 PRO 100 3HG PRO 100 -5.583 7.081 3.151 527 HD2 PRO 100 2HD PRO 100 -5.458 6.634 0.371 528 HD3 PRO 100 3HD PRO 100 -6.947 6.596 1.359 529 H VAL 101 H VAL 101 -5.023 8.845 -1.310 530 HA VAL 101 HA VAL 101 -2.614 10.623 -1.234 531 HB VAL 101 HB VAL 101 -2.598 7.636 -1.905 532 HG11 VAL 101 1HG1 VAL 101 -0.186 7.934 -1.924 533 HG12 VAL 101 2HG1 VAL 101 -1.004 8.751 -3.226 534 HG13 VAL 101 3HG1 VAL 101 -0.390 9.697 -1.832 535 HG21 VAL 101 1HG2 VAL 101 -1.585 9.112 0.542 536 HG22 VAL 101 2HG2 VAL 101 -2.812 7.824 0.462 537 HG23 VAL 101 3HG2 VAL 101 -1.138 7.442 0.101 538 H HIS 102 H HIS 102 -2.003 11.538 -3.198 539 HA HIS 102 HA HIS 102 -3.783 11.323 -5.471 540 HB2 HIS 102 2HB HIS 102 -1.097 12.675 -5.170 541 HB3 HIS 102 3HB HIS 102 -2.013 12.681 -6.649 542 HD1 HIS 102 1HD HIS 102 -4.383 14.138 -6.565 543 HD2 HIS 102 2HD HIS 102 -1.841 14.210 -3.242 544 HE1 HIS 102 1HE HIS 102 -5.175 16.094 -5.124 545 H ALA 103 H ALA 103 -0.425 10.168 -4.892 546 HA ALA 103 HA ALA 103 -0.679 8.199 -7.122 547 HB1 ALA 103 1HB ALA 103 1.406 10.243 -6.604 548 HB2 ALA 103 2HB ALA 103 1.617 8.943 -7.791 549 HB3 ALA 103 3HB ALA 103 0.355 10.186 -8.035 550 H LEU 104 H LEU 104 0.303 6.249 -6.683 551 HA LEU 104 HA LEU 104 2.317 5.977 -4.684 552 HB2 LEU 104 2HB LEU 104 1.166 4.742 -3.094 553 HB3 LEU 104 3HB LEU 104 0.350 6.269 -3.263 554 HG LEU 104 HG LEU 104 -0.648 3.570 -4.260 555 HD11 LEU 104 1HD1 LEU 104 -2.309 3.953 -2.455 556 HD12 LEU 104 2HD1 LEU 104 -1.453 5.422 -1.966 557 HD13 LEU 104 3HD1 LEU 104 -0.659 3.838 -1.822 558 HD21 LEU 104 1HD2 LEU 104 -1.568 5.302 -5.723 559 HD22 LEU 104 2HD2 LEU 104 -1.999 6.312 -4.320 560 HD23 LEU 104 3HD2 LEU 104 -2.814 4.757 -4.613 561 H ALA 105 H ALA 105 3.113 3.917 -4.252 562 HA ALA 105 HA ALA 105 2.384 1.718 -6.140 563 HB1 ALA 105 1HB ALA 105 4.313 2.556 -7.088 564 HB2 ALA 105 2HB ALA 105 5.100 2.844 -5.540 565 HB3 ALA 105 3HB ALA 105 4.871 1.176 -6.127 566 H ILE 106 H ILE 106 2.228 -0.337 -5.395 567 HA ILE 106 HA ILE 106 2.597 -0.771 -2.468 568 HB ILE 106 HB ILE 106 0.981 -2.636 -2.783 569 HG12 ILE 106 2HG1 ILE 106 0.079 -1.359 -5.372 570 HG13 ILE 106 3HG1 ILE 106 1.355 -2.575 -5.420 571 HG21 ILE 106 1HG2 ILE 106 -1.002 -1.204 -2.755 572 HG22 ILE 106 2HG2 ILE 106 0.314 -0.471 -1.827 573 HG23 ILE 106 3HG2 ILE 106 -0.078 0.141 -3.450 574 HD11 ILE 106 1HD1 ILE 106 -0.745 -3.623 -5.843 575 HD12 ILE 106 2HD1 ILE 106 -0.102 -4.198 -4.297 576 HD13 ILE 106 3HD1 ILE 106 -1.425 -2.999 -4.321 577 H GLN 107 H GLN 107 3.478 -2.648 -1.700 578 HA GLN 107 HA GLN 107 4.537 -4.721 -3.596 579 HB2 GLN 107 2HB GLN 107 5.854 -3.505 -1.137 580 HB3 GLN 107 3HB GLN 107 6.400 -4.998 -1.887 581 HG2 GLN 107 2HG GLN 107 7.149 -3.892 -3.852 582 HG3 GLN 107 3HG GLN 107 6.168 -2.463 -3.557 583 HE21 GLN 107 1HE2 GLN 107 9.291 -3.967 -2.819 584 HE22 GLN 107 2HE2 GLN 107 9.885 -2.543 -1.990 585 H ALA 108 H ALA 108 2.943 -6.298 -3.275 586 HA ALA 108 HA ALA 108 1.873 -6.807 -0.590 587 HB1 ALA 108 1HB ALA 108 1.288 -8.098 -3.292 588 HB2 ALA 108 2HB ALA 108 0.369 -8.350 -1.798 589 HB3 ALA 108 3HB ALA 108 0.394 -6.749 -2.563 590 H ARG 109 H ARG 109 2.295 -8.549 0.733 591 HA ARG 109 HA ARG 109 3.416 -11.047 -0.445 592 HB2 ARG 109 2HB ARG 109 4.545 -9.731 2.046 593 HB3 ARG 109 3HB ARG 109 4.825 -11.375 1.639 594 HG2 ARG 109 2HG ARG 109 6.727 -10.616 0.802 595 HG3 ARG 109 3HG ARG 109 5.757 -10.391 -0.654 596 HD2 ARG 109 2HD ARG 109 5.436 -7.972 0.052 597 HD3 ARG 109 3HD ARG 109 6.464 -8.290 1.448 598 HE ARG 109 HE ARG 109 8.370 -8.427 0.081 599 HH11 ARG 109 1HH1 ARG 109 5.583 -8.235 -2.082 600 HH12 ARG 109 2HH1 ARG 109 6.590 -7.584 -3.372 601 HH21 ARG 109 1HH2 ARG 109 9.523 -7.935 -1.789 602 HH22 ARG 109 2HH2 ARG 109 8.650 -7.342 -3.187 603 H THR 110 H THR 110 3.163 -12.935 0.781 604 HA THR 110 HA THR 110 1.021 -12.988 2.808 605 HB THR 110 HB THR 110 1.232 -15.391 2.778 606 HG1 THR 110 1HG THR 110 2.719 -16.432 1.619 607 HG21 THR 110 1HG2 THR 110 -0.069 -14.255 0.977 608 HG22 THR 110 2HG2 THR 110 0.599 -15.821 0.466 609 HG23 THR 110 3HG2 THR 110 1.370 -14.303 -0.056 610 HA PRO 111 HA PRO 111 3.664 -12.761 6.280 611 HB2 PRO 111 2HB PRO 111 2.625 -14.547 8.111 612 HB3 PRO 111 3HB PRO 111 1.952 -12.933 7.728 613 HG2 PRO 111 2HG PRO 111 1.079 -15.608 6.631 614 HG3 PRO 111 3HG PRO 111 0.067 -14.268 7.252 615 HD2 PRO 111 2HD PRO 111 0.454 -14.574 4.591 616 HD3 PRO 111 3HD PRO 111 0.453 -12.948 5.336 617 H ALA 112 H ALA 112 3.101 -16.226 5.176 618 HA ALA 112 HA ALA 112 5.520 -17.014 6.487 619 HB1 ALA 112 1HB ALA 112 3.679 -18.574 5.959 620 HB2 ALA 112 2HB ALA 112 3.948 -18.339 4.214 621 HB3 ALA 112 3HB ALA 112 5.186 -19.127 5.205 622 H GLN 113 H GLN 113 5.184 -15.620 3.207 623 HA GLN 113 HA GLN 113 8.041 -16.187 2.657 624 HB2 GLN 113 2HB GLN 113 7.867 -14.808 0.727 625 HB3 GLN 113 3HB GLN 113 6.525 -15.972 0.759 626 HG2 GLN 113 2HG GLN 113 5.122 -14.118 1.740 627 HG3 GLN 113 3HG GLN 113 6.454 -13.004 1.448 628 HE21 GLN 113 1HE2 GLN 113 3.862 -14.898 0.014 629 HE22 GLN 113 2HE2 GLN 113 4.115 -14.346 -1.641 630 H TRP 114 H TRP 114 6.090 -13.531 4.151 631 HA TRP 114 HA TRP 114 8.383 -11.849 4.538 632 HB2 TRP 114 2HB TRP 114 6.131 -11.026 4.844 633 HB3 TRP 114 3HB TRP 114 5.896 -12.056 6.248 634 HD1 TRP 114 HD1 TRP 114 7.095 -11.425 8.503 635 HE1 TRP 114 HE1 TRP 114 8.123 -9.247 9.383 636 HE3 TRP 114 HE3 TRP 114 7.529 -8.866 4.077 637 HZ2 TRP 114 HZ2 TRP 114 8.842 -6.663 8.347 638 HZ3 TRP 114 HZ3 TRP 114 8.367 -6.529 4.068 639 HH2 TRP 114 HH2 TRP 114 8.994 -5.420 6.199 640 H ARG 115 H ARG 115 7.202 -14.617 6.365 641 HA ARG 115 HA ARG 115 9.152 -14.583 8.510 642 HB2 ARG 115 2HB ARG 115 7.757 -16.974 7.235 643 HB3 ARG 115 3HB ARG 115 8.698 -17.035 8.713 644 HG2 ARG 115 2HG ARG 115 7.078 -15.657 9.870 645 HG3 ARG 115 3HG ARG 115 6.208 -15.323 8.433 646 HD2 ARG 115 2HD ARG 115 4.873 -16.916 9.452 647 HD3 ARG 115 3HD ARG 115 5.762 -17.878 8.287 648 HE ARG 115 HE ARG 115 6.951 -18.939 9.958 649 HH11 ARG 115 1HH1 ARG 115 4.811 -16.568 11.510 650 HH12 ARG 115 2HH1 ARG 115 4.991 -17.412 13.045 651 HH21 ARG 115 1HH2 ARG 115 6.808 -19.982 11.925 652 HH22 ARG 115 2HH2 ARG 115 6.028 -19.168 13.257 653 H GLU 116 H GLU 116 9.227 -16.146 5.312 654 HA GLU 116 HA GLU 116 11.768 -17.362 5.640 655 HB2 GLU 116 2HB GLU 116 10.018 -18.068 4.052 656 HB3 GLU 116 3HB GLU 116 10.285 -16.609 3.090 657 HG2 GLU 116 2HG GLU 116 12.573 -17.332 2.563 658 HG3 GLU 116 3HG GLU 116 12.403 -18.730 3.625 659 H ASN 117 H ASN 117 11.018 -14.277 3.924 660 HA ASN 117 HA ASN 117 13.944 -13.605 4.033 661 HB2 ASN 117 2HB ASN 117 13.454 -14.884 1.993 662 HB3 ASN 117 3HB ASN 117 12.167 -13.774 1.551 663 HD21 ASN 117 1HD2 ASN 117 15.722 -13.948 2.131 664 HD22 ASN 117 2HD2 ASN 117 16.069 -12.751 0.900 665 H SER 118 H SER 118 11.038 -12.361 4.947 666 HA SER 118 HA SER 118 9.796 -10.476 4.695 667 HB2 SER 118 2HB SER 118 12.232 -8.946 3.828 668 HB3 SER 118 3HB SER 118 10.685 -8.317 4.389 669 HG SER 118 HG SER 118 11.933 -8.234 6.101 Start of MODEL 8 1 HA PRO 31 HA PRO 31 -0.604 12.569 6.057 2 HB2 PRO 31 2HB PRO 31 1.270 10.741 7.026 3 HB3 PRO 31 3HB PRO 31 1.365 12.514 7.203 4 HG2 PRO 31 2HG PRO 31 0.315 10.483 9.181 5 HG3 PRO 31 3HG PRO 31 1.385 11.885 9.493 6 HD2 PRO 31 2HD PRO 31 -1.240 12.028 10.033 7 HD3 PRO 31 3HD PRO 31 -0.423 13.414 9.279 8 H VAL 32 H VAL 32 -0.472 11.075 4.416 9 HA VAL 32 HA VAL 32 -2.757 9.369 4.369 10 HB VAL 32 HB VAL 32 -2.271 8.814 2.127 11 HG11 VAL 32 1HG1 VAL 32 -2.046 10.984 1.092 12 HG12 VAL 32 2HG1 VAL 32 -3.013 11.128 2.572 13 HG13 VAL 32 3HG1 VAL 32 -1.316 11.667 2.553 14 HG21 VAL 32 1HG2 VAL 32 -0.147 9.455 0.987 15 HG22 VAL 32 2HG2 VAL 32 0.573 9.787 2.574 16 HG23 VAL 32 3HG2 VAL 32 0.029 8.140 2.144 17 H GLU 33 H GLU 33 0.436 8.661 5.356 18 HA GLU 33 HA GLU 33 0.267 5.789 4.869 19 HB2 GLU 33 2HB GLU 33 2.498 5.725 5.234 20 HB3 GLU 33 3HB GLU 33 2.338 7.420 4.830 21 HG2 GLU 33 2HG GLU 33 2.074 7.528 7.570 22 HG3 GLU 33 3HG GLU 33 3.099 6.100 7.366 23 H ALA 34 H ALA 34 -0.289 7.991 7.507 24 HA ALA 34 HA ALA 34 -0.771 5.932 9.538 25 HB1 ALA 34 1HB ALA 34 -1.578 8.856 9.466 26 HB2 ALA 34 2HB ALA 34 -1.481 7.779 10.883 27 HB3 ALA 34 3HB ALA 34 -0.010 8.248 10.037 28 H ALA 35 H ALA 35 -2.758 7.944 7.335 29 HA ALA 35 HA ALA 35 -5.284 6.788 7.996 30 HB1 ALA 35 1HB ALA 35 -4.287 7.951 5.366 31 HB2 ALA 35 2HB ALA 35 -5.978 7.636 5.793 32 HB3 ALA 35 3HB ALA 35 -5.051 8.845 6.698 33 H ILE 36 H ILE 36 -2.976 5.772 5.349 34 HA ILE 36 HA ILE 36 -4.576 3.550 4.662 35 HB ILE 36 HB ILE 36 -2.605 4.723 3.406 36 HG12 ILE 36 2HG1 ILE 36 -3.091 1.768 3.016 37 HG13 ILE 36 3HG1 ILE 36 -4.212 3.047 2.526 38 HG21 ILE 36 1HG2 ILE 36 -1.119 2.259 4.420 39 HG22 ILE 36 2HG2 ILE 36 -0.523 3.491 3.304 40 HG23 ILE 36 3HG2 ILE 36 -0.815 3.910 4.984 41 HD11 ILE 36 1HD1 ILE 36 -2.940 2.386 0.610 42 HD12 ILE 36 2HD1 ILE 36 -2.436 4.027 1.067 43 HD13 ILE 36 3HD1 ILE 36 -1.399 2.628 1.438 44 H ARG 37 H ARG 37 -1.853 3.669 6.994 45 HA ARG 37 HA ARG 37 -1.716 0.981 7.902 46 HB2 ARG 37 2HB ARG 37 -1.530 3.649 9.237 47 HB3 ARG 37 3HB ARG 37 -1.602 2.194 10.221 48 HG2 ARG 37 2HG ARG 37 0.348 1.274 9.161 49 HG3 ARG 37 3HG ARG 37 0.401 2.650 8.017 50 HD2 ARG 37 2HD ARG 37 0.839 4.200 9.805 51 HD3 ARG 37 3HD ARG 37 0.311 2.985 10.997 52 HE ARG 37 HE ARG 37 2.640 2.037 9.613 53 HH11 ARG 37 1HH1 ARG 37 1.830 4.365 12.158 54 HH12 ARG 37 2HH1 ARG 37 3.366 4.071 12.965 55 HH21 ARG 37 1HH2 ARG 37 4.582 2.011 10.523 56 HH22 ARG 37 2HH2 ARG 37 4.919 2.916 11.967 57 H THR 38 H THR 38 -3.815 3.474 9.285 58 HA THR 38 HA THR 38 -5.281 1.540 10.845 59 HB THR 38 HB THR 38 -6.003 4.414 10.186 60 HG1 THR 38 1HG THR 38 -5.058 3.674 12.668 61 HG21 THR 38 1HG2 THR 38 -7.966 3.273 11.152 62 HG22 THR 38 2HG2 THR 38 -7.242 4.367 12.337 63 HG23 THR 38 3HG2 THR 38 -6.958 2.617 12.463 64 H LYS 39 H LYS 39 -6.135 3.059 7.715 65 HA LYS 39 HA LYS 39 -8.737 1.868 7.553 66 HB2 LYS 39 2HB LYS 39 -8.057 3.892 6.294 67 HB3 LYS 39 3HB LYS 39 -6.907 2.938 5.358 68 HG2 LYS 39 2HG LYS 39 -8.949 3.394 4.084 69 HG3 LYS 39 3HG LYS 39 -8.733 1.661 4.323 70 HD2 LYS 39 2HD LYS 39 -10.428 1.694 6.156 71 HD3 LYS 39 3HD LYS 39 -10.561 3.447 5.992 72 HE2 LYS 39 2HE LYS 39 -12.426 2.508 4.884 73 HE3 LYS 39 3HE LYS 39 -11.345 3.101 3.616 74 HZ1 LYS 39 1HZ LYS 39 -11.526 0.263 4.509 75 HZ2 LYS 39 2HZ LYS 39 -10.652 0.841 3.191 76 HZ3 LYS 39 3HZ LYS 39 -12.262 0.878 3.188 77 H LEU 40 H LEU 40 -5.557 0.702 6.284 78 HA LEU 40 HA LEU 40 -6.841 -1.577 5.009 79 HB2 LEU 40 2HB LEU 40 -3.961 -0.823 5.504 80 HB3 LEU 40 3HB LEU 40 -4.394 -2.379 4.873 81 HG LEU 40 HG LEU 40 -3.746 -0.525 3.213 82 HD11 LEU 40 1HD1 LEU 40 -6.284 -2.137 2.753 83 HD12 LEU 40 2HD1 LEU 40 -4.614 -2.711 2.561 84 HD13 LEU 40 3HD1 LEU 40 -5.232 -1.435 1.496 85 HD21 LEU 40 1HD2 LEU 40 -5.353 1.266 3.917 86 HD22 LEU 40 2HD2 LEU 40 -6.697 0.226 3.398 87 HD23 LEU 40 3HD2 LEU 40 -5.510 0.811 2.224 88 H GLU 41 H GLU 41 -5.321 -1.066 8.237 89 HA GLU 41 HA GLU 41 -5.769 -3.805 9.077 90 HB2 GLU 41 2HB GLU 41 -5.574 -1.186 10.568 91 HB3 GLU 41 3HB GLU 41 -6.010 -2.707 11.366 92 HG2 GLU 41 2HG GLU 41 -3.922 -3.763 10.525 93 HG3 GLU 41 3HG GLU 41 -3.438 -2.221 9.810 94 H GLU 42 H GLU 42 -8.052 -0.979 9.063 95 HA GLU 42 HA GLU 42 -10.278 -2.451 10.042 96 HB2 GLU 42 2HB GLU 42 -9.770 0.126 9.215 97 HB3 GLU 42 3HB GLU 42 -10.726 -0.434 7.872 98 HG2 GLU 42 2HG GLU 42 -11.455 -0.473 10.816 99 HG3 GLU 42 3HG GLU 42 -12.015 0.719 9.652 100 H ALA 43 H ALA 43 -9.046 -2.116 6.710 101 HA ALA 43 HA ALA 43 -11.323 -3.315 5.508 102 HB1 ALA 43 1HB ALA 43 -10.083 -2.912 3.432 103 HB2 ALA 43 2HB ALA 43 -9.957 -1.514 4.515 104 HB3 ALA 43 3HB ALA 43 -8.592 -2.652 4.350 105 H LEU 44 H LEU 44 -7.975 -4.664 5.892 106 HA LEU 44 HA LEU 44 -8.986 -7.226 4.747 107 HB2 LEU 44 2HB LEU 44 -7.228 -7.475 3.305 108 HB3 LEU 44 3HB LEU 44 -8.237 -6.080 3.006 109 HG LEU 44 HG LEU 44 -6.343 -4.656 4.065 110 HD11 LEU 44 1HD1 LEU 44 -4.804 -7.243 3.496 111 HD12 LEU 44 2HD1 LEU 44 -4.992 -6.493 5.088 112 HD13 LEU 44 3HD1 LEU 44 -4.077 -5.656 3.827 113 HD21 LEU 44 1HD2 LEU 44 -6.973 -4.754 1.754 114 HD22 LEU 44 2HD2 LEU 44 -6.181 -6.311 1.539 115 HD23 LEU 44 3HD2 LEU 44 -5.187 -4.844 1.802 116 H SER 45 H SER 45 -7.498 -5.999 7.420 117 HA SER 45 HA SER 45 -6.273 -6.821 9.117 118 HB2 SER 45 2HB SER 45 -7.310 -9.527 8.194 119 HB3 SER 45 3HB SER 45 -6.456 -9.237 9.648 120 HG SER 45 HG SER 45 -8.835 -9.221 9.670 121 HA PRO 46 HA PRO 46 -2.454 -7.626 6.485 122 HB2 PRO 46 2HB PRO 46 -1.603 -5.642 8.595 123 HB3 PRO 46 3HB PRO 46 -1.044 -5.772 6.911 124 HG2 PRO 46 2HG PRO 46 -2.854 -3.900 7.609 125 HG3 PRO 46 3HG PRO 46 -3.110 -4.845 6.097 126 HD2 PRO 46 2HD PRO 46 -4.355 -5.264 8.822 127 HD3 PRO 46 3HD PRO 46 -5.127 -5.316 7.197 128 H GLU 47 H GLU 47 -0.560 -8.845 7.010 129 HA GLU 47 HA GLU 47 -0.025 -9.539 9.828 130 HB2 GLU 47 2HB GLU 47 0.013 -11.131 7.665 131 HB3 GLU 47 3HB GLU 47 1.599 -10.462 7.534 132 HG2 GLU 47 2HG GLU 47 1.840 -12.383 8.724 133 HG3 GLU 47 3HG GLU 47 2.143 -11.088 9.868 134 H VAL 48 H VAL 48 1.486 -7.846 6.978 135 HA VAL 48 HA VAL 48 2.761 -6.116 9.078 136 HB VAL 48 HB VAL 48 4.650 -5.755 7.583 137 HG11 VAL 48 1HG1 VAL 48 5.939 -7.458 7.839 138 HG12 VAL 48 2HG1 VAL 48 4.838 -7.627 9.236 139 HG13 VAL 48 3HG1 VAL 48 4.664 -8.727 7.798 140 HG21 VAL 48 1HG2 VAL 48 4.152 -6.128 5.412 141 HG22 VAL 48 2HG2 VAL 48 4.926 -7.698 5.793 142 HG23 VAL 48 3HG2 VAL 48 3.151 -7.529 5.844 143 H LEU 49 H LEU 49 3.252 -4.038 8.389 144 HA LEU 49 HA LEU 49 3.402 -3.786 5.644 145 HB2 LEU 49 2HB LEU 49 2.196 -1.374 5.586 146 HB3 LEU 49 3HB LEU 49 1.479 -2.887 5.089 147 HG LEU 49 HG LEU 49 0.383 -3.075 7.394 148 HD11 LEU 49 1HD1 LEU 49 1.820 -1.474 8.588 149 HD12 LEU 49 2HD1 LEU 49 0.117 -1.003 8.678 150 HD13 LEU 49 3HD1 LEU 49 1.228 -0.158 7.561 151 HD21 LEU 49 1HD2 LEU 49 -0.835 -2.455 5.424 152 HD22 LEU 49 2HD2 LEU 49 -0.355 -0.744 5.615 153 HD23 LEU 49 3HD2 LEU 49 -1.402 -1.532 6.823 154 H GLU 50 H GLU 50 5.173 -2.887 5.110 155 HA GLU 50 HA GLU 50 6.449 -0.785 6.852 156 HB2 GLU 50 2HB GLU 50 7.890 -2.620 4.936 157 HB3 GLU 50 3HB GLU 50 8.589 -1.444 6.036 158 HG2 GLU 50 2HG GLU 50 7.460 -2.739 7.892 159 HG3 GLU 50 3HG GLU 50 7.249 -4.072 6.752 160 H LEU 51 H LEU 51 6.648 1.155 5.938 161 HA LEU 51 HA LEU 51 6.482 1.513 3.015 162 HB2 LEU 51 2HB LEU 51 4.320 2.249 2.787 163 HB3 LEU 51 3HB LEU 51 4.177 0.893 3.894 164 HG LEU 51 HG LEU 51 4.071 3.819 4.497 165 HD11 LEU 51 1HD1 LEU 51 1.920 1.696 4.846 166 HD12 LEU 51 2HD1 LEU 51 2.033 2.806 3.468 167 HD13 LEU 51 3HD1 LEU 51 1.738 3.447 5.098 168 HD21 LEU 51 1HD2 LEU 51 3.386 3.158 6.840 169 HD22 LEU 51 2HD2 LEU 51 5.059 2.747 6.465 170 HD23 LEU 51 3HD2 LEU 51 3.818 1.480 6.417 171 H ARG 52 H ARG 52 6.490 3.693 2.134 172 HA ARG 52 HA ARG 52 7.335 5.896 3.907 173 HB2 ARG 52 2HB ARG 52 9.294 4.118 3.193 174 HB3 ARG 52 3HB ARG 52 9.396 5.207 1.829 175 HG2 ARG 52 2HG ARG 52 9.605 6.004 4.772 176 HG3 ARG 52 3HG ARG 52 10.969 5.646 3.715 177 HD2 ARG 52 2HD ARG 52 10.274 7.571 2.239 178 HD3 ARG 52 3HD ARG 52 9.053 7.986 3.462 179 HE ARG 52 HE ARG 52 11.702 7.696 4.619 180 HH11 ARG 52 1HH1 ARG 52 9.764 10.125 2.918 181 HH12 ARG 52 2HH1 ARG 52 10.656 11.405 3.733 182 HH21 ARG 52 1HH2 ARG 52 12.733 9.315 5.437 183 HH22 ARG 52 2HH2 ARG 52 12.265 10.984 5.122 184 H ASN 53 H ASN 53 7.014 7.876 3.019 185 HA ASN 53 HA ASN 53 6.248 8.113 0.145 186 HB2 ASN 53 2HB ASN 53 4.422 9.071 0.959 187 HB3 ASN 53 3HB ASN 53 5.020 8.986 2.593 188 HD21 ASN 53 1HD2 ASN 53 3.746 10.919 2.978 189 HD22 ASN 53 2HD2 ASN 53 4.494 12.464 2.544 190 H GLU 54 H GLU 54 7.252 9.428 -1.229 191 HA GLU 54 HA GLU 54 9.756 10.797 -0.336 192 HB2 GLU 54 2HB GLU 54 9.848 8.832 -1.818 193 HB3 GLU 54 3HB GLU 54 8.973 9.733 -3.065 194 HG2 GLU 54 2HG GLU 54 10.805 11.241 -3.390 195 HG3 GLU 54 3HG GLU 54 11.608 10.711 -1.908 196 H SER 55 H SER 55 6.660 11.613 -1.319 197 HA SER 55 HA SER 55 6.738 13.779 -2.974 198 HB2 SER 55 2HB SER 55 4.613 14.233 -2.170 199 HB3 SER 55 3HB SER 55 4.887 12.480 -1.931 200 HG SER 55 HG SER 55 5.286 12.892 0.256 201 H GLY 56 H GLY 56 8.267 13.902 0.031 202 HA2 GLY 56 2HA GLY 56 8.218 16.785 0.503 203 HA3 GLY 56 3HA GLY 56 9.414 15.632 1.106 204 H GLY 57 H GLY 57 9.776 14.813 -1.908 205 HA2 GLY 57 2HA GLY 57 11.733 16.832 -2.792 206 HA3 GLY 57 3HA GLY 57 11.243 15.368 -3.634 207 H HIS 58 H HIS 58 10.924 16.347 -5.610 208 HA HIS 58 HA HIS 58 9.626 17.064 -7.287 209 HB2 HIS 58 2HB HIS 58 7.509 16.319 -5.237 210 HB3 HIS 58 3HB HIS 58 7.181 16.457 -6.944 211 HD1 HIS 58 1HD HIS 58 9.313 14.972 -8.422 212 HD2 HIS 58 2HD HIS 58 8.276 13.862 -4.509 213 HE1 HIS 58 1HE HIS 58 10.311 12.653 -8.047 214 H ALA 59 H ALA 59 10.136 19.353 -5.161 215 HA ALA 59 HA ALA 59 9.727 21.558 -4.982 216 HB1 ALA 59 1HB ALA 59 8.987 21.393 -7.923 217 HB2 ALA 59 2HB ALA 59 9.583 22.818 -7.044 218 HB3 ALA 59 3HB ALA 59 10.639 21.420 -7.287 219 H VAL 60 H VAL 60 7.460 19.903 -4.236 220 HA VAL 60 HA VAL 60 5.087 21.245 -5.309 221 HB VAL 60 HB VAL 60 3.827 19.541 -4.053 222 HG11 VAL 60 1HG1 VAL 60 5.817 18.344 -5.950 223 HG12 VAL 60 2HG1 VAL 60 4.206 17.745 -5.556 224 HG13 VAL 60 3HG1 VAL 60 4.379 19.279 -6.423 225 HG21 VAL 60 1HG2 VAL 60 6.511 18.202 -3.566 226 HG22 VAL 60 2HG2 VAL 60 5.525 18.962 -2.307 227 HG23 VAL 60 3HG2 VAL 60 4.915 17.550 -3.185 228 HA PRO 61 HA PRO 61 4.702 24.040 -1.988 229 HB2 PRO 61 2HB PRO 61 2.129 24.953 -2.253 230 HB3 PRO 61 3HB PRO 61 3.416 25.279 -3.451 231 HG2 PRO 61 2HG PRO 61 1.341 23.055 -3.522 232 HG3 PRO 61 3HG PRO 61 1.737 24.235 -4.817 233 HD2 PRO 61 2HD PRO 61 2.835 21.760 -4.794 234 HD3 PRO 61 3HD PRO 61 3.811 23.185 -5.262 235 HA PRO 62 HA PRO 62 3.558 22.335 1.737 236 HB2 PRO 62 2HB PRO 62 1.861 24.743 2.437 237 HB3 PRO 62 3HB PRO 62 3.090 23.892 3.436 238 HG2 PRO 62 2HG PRO 62 3.777 26.155 2.146 239 HG3 PRO 62 3HG PRO 62 4.867 24.729 2.083 240 HD2 PRO 62 2HD PRO 62 2.890 25.672 -0.003 241 HD3 PRO 62 3HD PRO 62 4.585 25.133 -0.204 242 H GLY 63 H GLY 63 2.222 20.903 2.670 243 HA2 GLY 63 2HA GLY 63 0.267 19.678 3.114 244 HA3 GLY 63 3HA GLY 63 -0.697 20.811 2.162 245 H SER 64 H SER 64 1.740 20.185 0.071 246 HA SER 64 HA SER 64 0.389 18.122 -1.429 247 HB2 SER 64 2HB SER 64 3.211 19.200 -1.637 248 HB3 SER 64 3HB SER 64 2.467 18.061 -2.771 249 HG SER 64 HG SER 64 1.824 20.729 -2.223 250 H GLU 65 H GLU 65 0.331 16.106 -1.001 251 HA GLU 65 HA GLU 65 2.607 14.558 0.165 252 HB2 GLU 65 2HB GLU 65 0.960 15.402 1.886 253 HB3 GLU 65 3HB GLU 65 -0.268 14.367 1.161 254 HG2 GLU 65 2HG GLU 65 1.082 12.381 1.667 255 HG3 GLU 65 3HG GLU 65 2.434 13.397 2.172 256 H THR 66 H THR 66 2.627 14.391 -2.285 257 HA THR 66 HA THR 66 0.321 13.235 -3.645 258 HB THR 66 HB THR 66 1.448 14.025 -5.658 259 HG1 THR 66 1HG THR 66 3.485 14.764 -5.628 260 HG21 THR 66 1HG2 THR 66 2.024 16.389 -5.158 261 HG22 THR 66 2HG2 THR 66 1.893 16.060 -3.437 262 HG23 THR 66 3HG2 THR 66 0.448 15.908 -4.472 263 H HIS 67 H HIS 67 3.123 11.848 -2.450 264 HA HIS 67 HA HIS 67 3.573 9.972 -4.717 265 HB2 HIS 67 2HB HIS 67 5.025 12.326 -4.005 266 HB3 HIS 67 3HB HIS 67 6.030 10.976 -3.579 267 HD1 HIS 67 1HD HIS 67 7.678 10.885 -5.701 268 HD2 HIS 67 2HD HIS 67 3.675 11.795 -6.546 269 HE1 HIS 67 1HE HIS 67 7.590 11.362 -8.191 270 H PHE 68 H PHE 68 3.715 7.879 -3.969 271 HA PHE 68 HA PHE 68 4.656 7.422 -1.196 272 HB2 PHE 68 2HB PHE 68 2.185 7.992 -1.447 273 HB3 PHE 68 3HB PHE 68 1.949 6.534 -2.335 274 HD1 PHE 68 1HD PHE 68 4.206 6.676 0.691 275 HD2 PHE 68 2HD PHE 68 0.242 5.881 -0.814 276 HE1 PHE 68 1HE PHE 68 3.555 5.767 2.904 277 HE2 PHE 68 2HE PHE 68 -0.405 4.992 1.409 278 HZ PHE 68 HZ PHE 68 1.257 4.920 3.245 279 H ARG 69 H ARG 69 5.409 5.315 -0.594 280 HA ARG 69 HA ARG 69 4.764 3.157 -2.462 281 HB2 ARG 69 2HB ARG 69 7.614 3.583 -1.472 282 HB3 ARG 69 3HB ARG 69 6.994 2.069 -2.120 283 HG2 ARG 69 2HG ARG 69 6.290 3.585 -4.189 284 HG3 ARG 69 3HG ARG 69 7.603 4.611 -3.596 285 HD2 ARG 69 2HD ARG 69 7.708 1.653 -4.350 286 HD3 ARG 69 3HD ARG 69 8.346 2.965 -5.312 287 HE ARG 69 HE ARG 69 9.529 1.957 -2.775 288 HH11 ARG 69 1HH1 ARG 69 9.830 4.283 -5.452 289 HH12 ARG 69 2HH1 ARG 69 11.487 4.628 -5.008 290 HH21 ARG 69 1HH2 ARG 69 11.568 2.716 -2.218 291 HH22 ARG 69 2HH2 ARG 69 12.285 3.984 -3.168 292 H VAL 70 H VAL 70 4.613 1.113 -1.690 293 HA VAL 70 HA VAL 70 4.716 0.773 1.286 294 HB VAL 70 HB VAL 70 2.391 -0.376 -0.255 295 HG11 VAL 70 1HG1 VAL 70 2.432 0.419 2.673 296 HG12 VAL 70 2HG1 VAL 70 1.325 -0.660 1.840 297 HG13 VAL 70 3HG1 VAL 70 2.975 -1.179 2.192 298 HG21 VAL 70 1HG2 VAL 70 2.425 2.350 1.099 299 HG22 VAL 70 2HG2 VAL 70 2.101 2.009 -0.610 300 HG23 VAL 70 3HG2 VAL 70 0.956 1.473 0.618 301 H ALA 71 H ALA 71 5.266 -1.116 2.087 302 HA ALA 71 HA ALA 71 4.983 -3.540 0.348 303 HB1 ALA 71 1HB ALA 71 6.850 -4.617 1.537 304 HB2 ALA 71 2HB ALA 71 7.463 -3.072 0.907 305 HB3 ALA 71 3HB ALA 71 7.025 -3.235 2.632 306 H VAL 72 H VAL 72 3.563 -4.882 0.838 307 HA VAL 72 HA VAL 72 2.449 -4.878 3.561 308 HB VAL 72 HB VAL 72 1.206 -3.325 2.143 309 HG11 VAL 72 1HG1 VAL 72 -0.060 -3.967 0.190 310 HG12 VAL 72 2HG1 VAL 72 1.682 -3.954 -0.100 311 HG13 VAL 72 3HG1 VAL 72 0.838 -5.490 0.137 312 HG21 VAL 72 1HG2 VAL 72 0.167 -4.549 3.770 313 HG22 VAL 72 2HG2 VAL 72 -0.927 -4.321 2.365 314 HG23 VAL 72 3HG2 VAL 72 -0.110 -5.891 2.643 315 H VAL 73 H VAL 73 1.723 -6.782 4.283 316 HA VAL 73 HA VAL 73 1.696 -9.116 2.480 317 HB VAL 73 HB VAL 73 3.824 -8.572 4.180 318 HG11 VAL 73 1HG1 VAL 73 4.111 -10.409 5.629 319 HG12 VAL 73 2HG1 VAL 73 2.705 -9.553 6.080 320 HG13 VAL 73 3HG1 VAL 73 2.521 -11.101 5.191 321 HG21 VAL 73 1HG2 VAL 73 3.392 -11.184 2.842 322 HG22 VAL 73 2HG2 VAL 73 3.747 -9.646 2.001 323 HG23 VAL 73 3HG2 VAL 73 4.907 -10.289 3.132 324 H SER 74 H SER 74 0.064 -10.419 2.778 325 HA SER 74 HA SER 74 -1.272 -10.673 5.382 326 HB2 SER 74 2HB SER 74 -2.178 -8.507 4.636 327 HB3 SER 74 3HB SER 74 -2.672 -9.230 3.094 328 HG SER 74 HG SER 74 -3.596 -10.105 5.657 329 H SER 75 H SER 75 -2.801 -12.336 5.507 330 HA SER 75 HA SER 75 -2.752 -14.450 3.509 331 HB2 SER 75 2HB SER 75 -4.353 -15.549 4.966 332 HB3 SER 75 3HB SER 75 -3.016 -14.896 5.936 333 HG SER 75 HG SER 75 -5.396 -14.521 6.509 334 H ARG 76 H ARG 76 -4.576 -11.511 3.765 335 HA ARG 76 HA ARG 76 -6.846 -12.472 2.236 336 HB2 ARG 76 2HB ARG 76 -6.302 -10.121 3.613 337 HB3 ARG 76 3HB ARG 76 -6.025 -9.602 1.962 338 HG2 ARG 76 2HG ARG 76 -8.258 -9.201 2.008 339 HG3 ARG 76 3HG ARG 76 -8.387 -10.901 1.580 340 HD2 ARG 76 2HD ARG 76 -8.604 -9.684 4.379 341 HD3 ARG 76 3HD ARG 76 -9.926 -10.274 3.403 342 HE ARG 76 HE ARG 76 -9.372 -12.493 3.839 343 HH11 ARG 76 1HH1 ARG 76 -7.132 -10.395 5.671 344 HH12 ARG 76 2HH1 ARG 76 -6.861 -11.717 6.802 345 HH21 ARG 76 1HH2 ARG 76 -8.751 -14.062 5.338 346 HH22 ARG 76 2HH2 ARG 76 -7.601 -13.602 6.570 347 H PHE 77 H PHE 77 -3.586 -11.769 1.318 348 HA PHE 77 HA PHE 77 -4.250 -11.306 -1.514 349 HB2 PHE 77 2HB PHE 77 -1.634 -11.229 0.015 350 HB3 PHE 77 3HB PHE 77 -1.864 -10.764 -1.645 351 HD1 PHE 77 1HD PHE 77 -4.623 -9.165 -0.885 352 HD2 PHE 77 2HD PHE 77 -0.495 -9.080 0.374 353 HE1 PHE 77 1HE PHE 77 -4.834 -6.771 -0.337 354 HE2 PHE 77 2HE PHE 77 -0.715 -6.643 0.875 355 HZ PHE 77 HZ PHE 77 -2.871 -5.502 0.554 356 H GLU 78 H GLU 78 -3.652 -14.065 0.454 357 HA GLU 78 HA GLU 78 -2.405 -15.463 -1.760 358 HB2 GLU 78 2HB GLU 78 -1.950 -17.195 -0.295 359 HB3 GLU 78 3HB GLU 78 -1.638 -15.760 0.650 360 HG2 GLU 78 2HG GLU 78 -3.857 -16.072 1.739 361 HG3 GLU 78 3HG GLU 78 -4.064 -17.584 0.859 362 H GLY 79 H GLY 79 -3.186 -17.336 -2.713 363 HA2 GLY 79 2HA GLY 79 -5.077 -18.680 -3.488 364 HA3 GLY 79 3HA GLY 79 -6.161 -17.350 -3.102 365 H LEU 80 H LEU 80 -3.097 -16.543 -4.532 366 HA LEU 80 HA LEU 80 -4.365 -15.541 -7.046 367 HB2 LEU 80 2HB LEU 80 -3.385 -13.961 -4.635 368 HB3 LEU 80 3HB LEU 80 -3.745 -13.236 -6.190 369 HG LEU 80 HG LEU 80 -5.982 -14.730 -4.860 370 HD11 LEU 80 1HD1 LEU 80 -5.165 -13.651 -2.929 371 HD12 LEU 80 2HD1 LEU 80 -6.553 -12.727 -3.499 372 HD13 LEU 80 3HD1 LEU 80 -4.902 -12.113 -3.791 373 HD21 LEU 80 1HD2 LEU 80 -5.754 -12.054 -6.247 374 HD22 LEU 80 2HD2 LEU 80 -7.258 -12.892 -5.776 375 HD23 LEU 80 3HD2 LEU 80 -6.215 -13.599 -7.021 376 H SER 81 H SER 81 -2.768 -15.238 -8.613 377 HA SER 81 HA SER 81 0.051 -15.560 -8.113 378 HB2 SER 81 2HB SER 81 -1.702 -14.775 -10.424 379 HB3 SER 81 3HB SER 81 0.007 -14.384 -10.532 380 HG SER 81 HG SER 81 -0.849 -16.613 -11.187 381 HA PRO 82 HA PRO 82 1.565 -11.619 -6.985 382 HB2 PRO 82 2HB PRO 82 3.501 -11.607 -9.286 383 HB3 PRO 82 3HB PRO 82 3.796 -11.312 -7.548 384 HG2 PRO 82 2HG PRO 82 4.392 -13.721 -8.630 385 HG3 PRO 82 3HG PRO 82 3.572 -13.639 -7.035 386 HD2 PRO 82 2HD PRO 82 2.334 -14.134 -9.759 387 HD3 PRO 82 3HD PRO 82 2.077 -15.008 -8.221 388 H LEU 83 H LEU 83 1.508 -11.356 -10.658 389 HA LEU 83 HA LEU 83 0.771 -8.585 -10.515 390 HB2 LEU 83 2HB LEU 83 1.784 -9.560 -12.513 391 HB3 LEU 83 3HB LEU 83 0.362 -10.567 -12.769 392 HG LEU 83 HG LEU 83 -1.032 -8.547 -13.137 393 HD11 LEU 83 1HD1 LEU 83 0.073 -6.351 -13.499 394 HD12 LEU 83 2HD1 LEU 83 1.599 -7.024 -12.894 395 HD13 LEU 83 3HD1 LEU 83 0.195 -6.865 -11.816 396 HD21 LEU 83 1HD2 LEU 83 0.063 -9.678 -15.038 397 HD22 LEU 83 2HD2 LEU 83 1.462 -8.591 -14.867 398 HD23 LEU 83 3HD2 LEU 83 -0.127 -7.940 -15.310 399 H GLN 84 H GLN 84 -1.219 -11.529 -10.740 400 HA GLN 84 HA GLN 84 -3.778 -10.421 -10.963 401 HB2 GLN 84 2HB GLN 84 -3.134 -12.813 -11.119 402 HB3 GLN 84 3HB GLN 84 -2.846 -12.848 -9.391 403 HG2 GLN 84 2HG GLN 84 -5.277 -12.342 -9.000 404 HG3 GLN 84 3HG GLN 84 -5.541 -12.426 -10.743 405 HE21 GLN 84 1HE2 GLN 84 -7.064 -14.206 -9.457 406 HE22 GLN 84 2HE2 GLN 84 -6.290 -15.806 -9.359 407 H ARG 85 H ARG 85 -2.020 -11.121 -7.871 408 HA ARG 85 HA ARG 85 -4.062 -9.873 -6.219 409 HB2 ARG 85 2HB ARG 85 -2.619 -10.220 -4.347 410 HB3 ARG 85 3HB ARG 85 -2.504 -11.643 -5.376 411 HG2 ARG 85 2HG ARG 85 -0.401 -10.680 -6.351 412 HG3 ARG 85 3HG ARG 85 -0.494 -9.378 -5.197 413 HD2 ARG 85 2HD ARG 85 1.067 -10.861 -4.390 414 HD3 ARG 85 3HD ARG 85 -0.340 -11.109 -3.350 415 HE ARG 85 HE ARG 85 -0.712 -13.176 -4.945 416 HH11 ARG 85 1HH1 ARG 85 2.498 -12.027 -4.032 417 HH12 ARG 85 2HH1 ARG 85 3.175 -13.637 -4.107 418 HH21 ARG 85 1HH2 ARG 85 0.235 -15.162 -4.996 419 HH22 ARG 85 2HH2 ARG 85 1.889 -15.345 -4.422 420 H HIS 86 H HIS 86 -1.018 -8.596 -7.618 421 HA HIS 86 HA HIS 86 -1.143 -6.008 -6.388 422 HB2 HIS 86 2HB HIS 86 0.099 -7.259 -8.797 423 HB3 HIS 86 3HB HIS 86 0.011 -5.490 -8.766 424 HD1 HIS 86 1HD HIS 86 2.473 -4.800 -8.238 425 HD2 HIS 86 2HD HIS 86 1.066 -8.028 -5.941 426 HE1 HIS 86 1HE HIS 86 4.307 -5.359 -6.617 427 H ARG 87 H ARG 87 -2.472 -7.038 -9.621 428 HA ARG 87 HA ARG 87 -3.894 -4.582 -10.052 429 HB2 ARG 87 2HB ARG 87 -4.223 -7.384 -11.186 430 HB3 ARG 87 3HB ARG 87 -5.294 -6.073 -11.642 431 HG2 ARG 87 2HG ARG 87 -2.283 -6.167 -12.085 432 HG3 ARG 87 3HG ARG 87 -3.545 -6.322 -13.303 433 HD2 ARG 87 2HD ARG 87 -2.735 -3.835 -11.761 434 HD3 ARG 87 3HD ARG 87 -2.643 -4.116 -13.503 435 HE ARG 87 HE ARG 87 -5.307 -4.370 -13.096 436 HH11 ARG 87 1HH1 ARG 87 -3.136 -1.656 -12.534 437 HH12 ARG 87 2HH1 ARG 87 -4.458 -0.569 -12.200 438 HH21 ARG 87 1HH2 ARG 87 -6.919 -2.945 -12.637 439 HH22 ARG 87 2HH2 ARG 87 -6.542 -1.239 -12.454 440 H LEU 88 H LEU 88 -4.965 -7.516 -8.318 441 HA LEU 88 HA LEU 88 -7.617 -6.649 -7.800 442 HB2 LEU 88 2HB LEU 88 -6.429 -8.853 -7.236 443 HB3 LEU 88 3HB LEU 88 -5.876 -8.100 -5.762 444 HG LEU 88 HG LEU 88 -8.831 -8.202 -6.499 445 HD11 LEU 88 1HD1 LEU 88 -7.235 -10.254 -4.911 446 HD12 LEU 88 2HD1 LEU 88 -7.967 -10.499 -6.518 447 HD13 LEU 88 3HD1 LEU 88 -9.003 -10.226 -5.112 448 HD21 LEU 88 1HD2 LEU 88 -8.285 -6.688 -4.625 449 HD22 LEU 88 2HD2 LEU 88 -7.384 -7.985 -3.813 450 HD23 LEU 88 3HD2 LEU 88 -9.143 -8.102 -4.037 451 H VAL 89 H VAL 89 -4.674 -6.017 -5.820 452 HA VAL 89 HA VAL 89 -5.875 -4.167 -4.006 453 HB VAL 89 HB VAL 89 -3.007 -4.377 -5.003 454 HG11 VAL 89 1HG1 VAL 89 -2.325 -3.073 -3.021 455 HG12 VAL 89 2HG1 VAL 89 -3.250 -2.097 -4.158 456 HG13 VAL 89 3HG1 VAL 89 -4.029 -2.698 -2.680 457 HG21 VAL 89 1HG2 VAL 89 -2.593 -5.435 -2.853 458 HG22 VAL 89 2HG2 VAL 89 -4.284 -5.181 -2.359 459 HG23 VAL 89 3HG2 VAL 89 -3.893 -6.299 -3.675 460 H HIS 90 H HIS 90 -4.560 -3.561 -7.187 461 HA HIS 90 HA HIS 90 -4.641 -0.675 -7.068 462 HB2 HIS 90 2HB HIS 90 -4.505 -2.513 -9.486 463 HB3 HIS 90 3HB HIS 90 -4.236 -0.785 -9.504 464 HD1 HIS 90 1HD HIS 90 -1.860 -1.811 -10.697 465 HD2 HIS 90 2HD HIS 90 -2.370 -2.069 -6.521 466 HE1 HIS 90 1HE HIS 90 0.410 -2.354 -9.732 467 H ALA 91 H ALA 91 -6.961 -3.103 -8.259 468 HA ALA 91 HA ALA 91 -8.884 -1.060 -9.168 469 HB1 ALA 91 1HB ALA 91 -10.201 -3.016 -9.842 470 HB2 ALA 91 2HB ALA 91 -8.530 -3.122 -10.430 471 HB3 ALA 91 3HB ALA 91 -9.036 -4.097 -9.036 472 H ALA 92 H ALA 92 -8.664 -3.443 -6.492 473 HA ALA 92 HA ALA 92 -11.274 -2.696 -5.432 474 HB1 ALA 92 1HB ALA 92 -9.199 -4.563 -4.263 475 HB2 ALA 92 2HB ALA 92 -10.917 -4.470 -3.858 476 HB3 ALA 92 3HB ALA 92 -10.423 -5.041 -5.466 477 H LEU 93 H LEU 93 -7.838 -1.934 -4.561 478 HA LEU 93 HA LEU 93 -9.014 -0.249 -2.344 479 HB2 LEU 93 2HB LEU 93 -6.187 -1.310 -2.631 480 HB3 LEU 93 3HB LEU 93 -6.679 -0.161 -1.458 481 HG LEU 93 HG LEU 93 -6.674 -1.965 -0.180 482 HD11 LEU 93 1HD1 LEU 93 -8.945 -1.000 -0.001 483 HD12 LEU 93 2HD1 LEU 93 -8.867 -2.721 0.414 484 HD13 LEU 93 3HD1 LEU 93 -9.534 -2.228 -1.151 485 HD21 LEU 93 1HD2 LEU 93 -6.106 -3.491 -1.891 486 HD22 LEU 93 2HD2 LEU 93 -7.794 -3.603 -2.444 487 HD23 LEU 93 3HD2 LEU 93 -7.336 -4.216 -0.836 488 H ALA 94 H ALA 94 -8.983 0.443 -5.267 489 HA ALA 94 HA ALA 94 -6.891 2.091 -5.962 490 HB1 ALA 94 1HB ALA 94 -8.412 2.972 -7.677 491 HB2 ALA 94 2HB ALA 94 -8.786 1.255 -7.428 492 HB3 ALA 94 3HB ALA 94 -9.830 2.494 -6.721 493 H GLU 95 H GLU 95 -9.844 3.245 -4.251 494 HA GLU 95 HA GLU 95 -8.959 6.027 -4.318 495 HB2 GLU 95 2HB GLU 95 -11.397 4.873 -4.027 496 HB3 GLU 95 3HB GLU 95 -10.981 5.038 -2.315 497 HG2 GLU 95 2HG GLU 95 -10.432 7.495 -2.861 498 HG3 GLU 95 3HG GLU 95 -11.143 7.199 -4.446 499 H GLU 96 H GLU 96 -8.325 3.254 -2.246 500 HA GLU 96 HA GLU 96 -7.850 4.702 0.173 501 HB2 GLU 96 2HB GLU 96 -7.782 1.755 -0.666 502 HB3 GLU 96 3HB GLU 96 -7.862 2.430 0.924 503 HG2 GLU 96 2HG GLU 96 -10.085 3.511 0.306 504 HG3 GLU 96 3HG GLU 96 -9.999 2.640 -1.214 505 H LEU 97 H LEU 97 -5.991 2.837 -2.297 506 HA LEU 97 HA LEU 97 -3.358 3.392 -1.306 507 HB2 LEU 97 2HB LEU 97 -4.806 2.019 -3.439 508 HB3 LEU 97 3HB LEU 97 -3.698 3.034 -4.169 509 HG LEU 97 HG LEU 97 -1.857 1.969 -2.664 510 HD11 LEU 97 1HD1 LEU 97 -2.391 -0.270 -1.798 511 HD12 LEU 97 2HD1 LEU 97 -4.075 -0.102 -2.342 512 HD13 LEU 97 3HD1 LEU 97 -3.459 0.926 -1.039 513 HD21 LEU 97 1HD2 LEU 97 -2.085 1.452 -5.059 514 HD22 LEU 97 2HD2 LEU 97 -3.375 0.285 -4.709 515 HD23 LEU 97 3HD2 LEU 97 -1.711 -0.023 -4.156 516 H GLY 98 H GLY 98 -5.393 4.827 -3.932 517 HA2 GLY 98 2HA GLY 98 -3.200 6.839 -4.389 518 HA3 GLY 98 3HA GLY 98 -4.070 5.957 -5.633 519 H GLY 99 H GLY 99 -6.171 6.916 -3.234 520 HA2 GLY 99 2HA GLY 99 -7.811 8.578 -4.863 521 HA3 GLY 99 3HA GLY 99 -7.866 8.502 -3.095 522 HA PRO 100 HA PRO 100 -5.616 12.407 -3.255 523 HB2 PRO 100 2HB PRO 100 -4.572 12.631 -0.818 524 HB3 PRO 100 3HB PRO 100 -6.275 12.099 -1.004 525 HG2 PRO 100 2HG PRO 100 -3.864 10.299 -0.617 526 HG3 PRO 100 3HG PRO 100 -5.364 10.363 0.356 527 HD2 PRO 100 2HD PRO 100 -5.016 8.660 -1.815 528 HD3 PRO 100 3HD PRO 100 -6.598 9.295 -1.295 529 H VAL 101 H VAL 101 -3.771 9.873 -4.073 530 HA VAL 101 HA VAL 101 -1.081 11.236 -4.006 531 HB VAL 101 HB VAL 101 -1.835 8.353 -3.294 532 HG11 VAL 101 1HG1 VAL 101 0.018 8.187 -4.858 533 HG12 VAL 101 2HG1 VAL 101 0.978 9.260 -3.801 534 HG13 VAL 101 3HG1 VAL 101 0.359 7.699 -3.215 535 HG21 VAL 101 1HG2 VAL 101 -1.781 10.061 -1.464 536 HG22 VAL 101 2HG2 VAL 101 -0.582 8.776 -1.288 537 HG23 VAL 101 3HG2 VAL 101 -0.085 10.381 -1.869 538 H HIS 102 H HIS 102 -0.780 11.900 -5.981 539 HA HIS 102 HA HIS 102 -1.838 10.614 -8.285 540 HB2 HIS 102 2HB HIS 102 -1.497 12.574 -9.212 541 HB3 HIS 102 3HB HIS 102 -0.846 13.107 -7.645 542 HD1 HIS 102 1HD HIS 102 0.222 13.421 -11.031 543 HD2 HIS 102 2HD HIS 102 1.782 12.419 -7.288 544 HE1 HIS 102 1HE HIS 102 2.674 14.109 -11.119 545 H ALA 103 H ALA 103 1.280 10.110 -6.691 546 HA ALA 103 HA ALA 103 1.702 7.964 -8.736 547 HB1 ALA 103 1HB ALA 103 4.083 9.441 -7.682 548 HB2 ALA 103 2HB ALA 103 3.945 8.411 -9.102 549 HB3 ALA 103 3HB ALA 103 3.219 10.031 -9.137 550 H LEU 104 H LEU 104 2.106 6.053 -7.924 551 HA LEU 104 HA LEU 104 3.583 5.762 -5.553 552 HB2 LEU 104 2HB LEU 104 2.046 4.616 -4.211 553 HB3 LEU 104 3HB LEU 104 1.363 6.171 -4.591 554 HG LEU 104 HG LEU 104 0.509 3.475 -5.746 555 HD11 LEU 104 1HD1 LEU 104 -1.506 3.926 -4.361 556 HD12 LEU 104 2HD1 LEU 104 -0.726 5.394 -3.725 557 HD13 LEU 104 3HD1 LEU 104 -0.036 3.797 -3.378 558 HD21 LEU 104 1HD2 LEU 104 -1.484 4.712 -6.597 559 HD22 LEU 104 2HD2 LEU 104 -0.002 5.199 -7.410 560 HD23 LEU 104 3HD2 LEU 104 -0.710 6.250 -6.156 561 H ALA 105 H ALA 105 4.258 3.717 -4.927 562 HA ALA 105 HA ALA 105 3.650 1.475 -6.793 563 HB1 ALA 105 1HB ALA 105 6.053 0.849 -6.920 564 HB2 ALA 105 2HB ALA 105 5.581 2.324 -7.789 565 HB3 ALA 105 3HB ALA 105 6.431 2.451 -6.249 566 H ILE 106 H ILE 106 3.555 -0.561 -6.023 567 HA ILE 106 HA ILE 106 3.988 -0.905 -3.111 568 HB ILE 106 HB ILE 106 1.924 -2.091 -2.948 569 HG12 ILE 106 2HG1 ILE 106 0.274 -1.448 -5.068 570 HG13 ILE 106 3HG1 ILE 106 1.761 -1.847 -5.913 571 HG21 ILE 106 1HG2 ILE 106 1.382 0.626 -4.188 572 HG22 ILE 106 2HG2 ILE 106 0.428 -0.222 -2.956 573 HG23 ILE 106 3HG2 ILE 106 2.047 0.376 -2.561 574 HD11 ILE 106 1HD1 ILE 106 0.288 -3.623 -3.910 575 HD12 ILE 106 2HD1 ILE 106 0.263 -3.802 -5.667 576 HD13 ILE 106 3HD1 ILE 106 1.776 -4.076 -4.777 577 H GLN 107 H GLN 107 4.436 -2.963 -2.337 578 HA GLN 107 HA GLN 107 4.222 -5.147 -4.325 579 HB2 GLN 107 2HB GLN 107 6.514 -5.015 -2.338 580 HB3 GLN 107 3HB GLN 107 6.034 -6.432 -3.284 581 HG2 GLN 107 2HG GLN 107 6.272 -4.860 -5.362 582 HG3 GLN 107 3HG GLN 107 7.231 -3.841 -4.283 583 HE21 GLN 107 1HE2 GLN 107 9.141 -5.082 -3.162 584 HE22 GLN 107 2HE2 GLN 107 9.930 -6.286 -4.166 585 H ALA 108 H ALA 108 2.875 -6.662 -3.787 586 HA ALA 108 HA ALA 108 1.836 -6.807 -0.986 587 HB1 ALA 108 1HB ALA 108 0.265 -5.723 -2.518 588 HB2 ALA 108 2HB ALA 108 0.392 -7.085 -3.653 589 HB3 ALA 108 3HB ALA 108 -0.344 -7.325 -2.061 590 H ARG 109 H ARG 109 2.310 -8.628 -0.004 591 HA ARG 109 HA ARG 109 2.721 -11.173 -1.548 592 HB2 ARG 109 2HB ARG 109 4.611 -9.516 0.102 593 HB3 ARG 109 3HB ARG 109 4.716 -11.240 0.302 594 HG2 ARG 109 2HG ARG 109 6.302 -10.766 -1.302 595 HG3 ARG 109 3HG ARG 109 4.967 -11.296 -2.323 596 HD2 ARG 109 2HD ARG 109 4.474 -8.944 -2.877 597 HD3 ARG 109 3HD ARG 109 5.649 -8.379 -1.689 598 HE ARG 109 HE ARG 109 6.130 -9.281 -4.414 599 HH11 ARG 109 1HH1 ARG 109 7.746 -8.880 -1.288 600 HH12 ARG 109 2HH1 ARG 109 9.321 -9.057 -2.053 601 HH21 ARG 109 1HH2 ARG 109 8.228 -9.369 -5.227 602 HH22 ARG 109 2HH2 ARG 109 9.569 -9.065 -4.145 603 H THR 110 H THR 110 3.218 -13.049 0.106 604 HA THR 110 HA THR 110 0.836 -13.117 1.890 605 HB THR 110 HB THR 110 0.662 -15.426 1.525 606 HG1 THR 110 1HG THR 110 2.133 -16.601 0.426 607 HG21 THR 110 1HG2 THR 110 -0.128 -13.988 -0.375 608 HG22 THR 110 2HG2 THR 110 0.346 -15.629 -0.862 609 HG23 THR 110 3HG2 THR 110 1.434 -14.275 -1.188 610 HA PRO 111 HA PRO 111 3.275 -13.604 5.467 611 HB2 PRO 111 2HB PRO 111 1.809 -15.181 7.162 612 HB3 PRO 111 3HB PRO 111 1.436 -13.472 6.765 613 HG2 PRO 111 2HG PRO 111 0.255 -15.965 5.509 614 HG3 PRO 111 3HG PRO 111 -0.613 -14.520 6.116 615 HD2 PRO 111 2HD PRO 111 -0.064 -14.795 3.474 616 HD3 PRO 111 3HD PRO 111 0.113 -13.208 4.284 617 H ALA 112 H ALA 112 2.206 -16.791 4.044 618 HA ALA 112 HA ALA 112 4.081 -18.356 5.460 619 HB1 ALA 112 1HB ALA 112 2.281 -19.351 4.114 620 HB2 ALA 112 2HB ALA 112 3.030 -18.738 2.619 621 HB3 ALA 112 3HB ALA 112 3.837 -19.983 3.588 622 H GLN 113 H GLN 113 4.695 -16.193 2.763 623 HA GLN 113 HA GLN 113 7.541 -17.034 2.685 624 HB2 GLN 113 2HB GLN 113 7.847 -15.391 0.947 625 HB3 GLN 113 3HB GLN 113 6.620 -16.592 0.537 626 HG2 GLN 113 2HG GLN 113 4.841 -15.021 1.068 627 HG3 GLN 113 3HG GLN 113 6.007 -13.799 1.587 628 HE21 GLN 113 1HE2 GLN 113 4.661 -15.508 -1.264 629 HE22 GLN 113 2HE2 GLN 113 5.263 -14.309 -2.402 630 H TRP 114 H TRP 114 5.602 -14.114 3.813 631 HA TRP 114 HA TRP 114 7.901 -12.603 4.563 632 HB2 TRP 114 2HB TRP 114 5.588 -11.661 4.584 633 HB3 TRP 114 3HB TRP 114 5.235 -12.630 6.007 634 HD1 TRP 114 HD1 TRP 114 5.994 -11.617 8.242 635 HE1 TRP 114 HE1 TRP 114 7.428 -9.653 9.046 636 HE3 TRP 114 HE3 TRP 114 7.098 -9.639 3.699 637 HZ2 TRP 114 HZ2 TRP 114 8.766 -7.398 7.836 638 HZ3 TRP 114 HZ3 TRP 114 8.213 -7.423 3.572 639 HH2 TRP 114 HH2 TRP 114 9.068 -6.312 5.601 640 H ARG 115 H ARG 115 6.223 -15.144 6.334 641 HA ARG 115 HA ARG 115 7.314 -14.926 8.938 642 HB2 ARG 115 2HB ARG 115 6.737 -17.424 7.304 643 HB3 ARG 115 3HB ARG 115 7.062 -17.439 9.027 644 HG2 ARG 115 2HG ARG 115 4.802 -15.665 8.128 645 HG3 ARG 115 3HG ARG 115 4.604 -17.396 7.929 646 HD2 ARG 115 2HD ARG 115 3.627 -17.016 9.942 647 HD3 ARG 115 3HD ARG 115 5.207 -17.608 10.415 648 HE ARG 115 HE ARG 115 5.847 -15.324 11.042 649 HH11 ARG 115 1HH1 ARG 115 2.364 -15.577 10.322 650 HH12 ARG 115 2HH1 ARG 115 2.052 -14.076 11.148 651 HH21 ARG 115 1HH2 ARG 115 5.335 -13.576 12.085 652 HH22 ARG 115 2HH2 ARG 115 3.650 -13.090 12.315 653 H GLU 116 H GLU 116 8.803 -16.275 6.020 654 HA GLU 116 HA GLU 116 11.348 -16.721 7.440 655 HB2 GLU 116 2HB GLU 116 10.007 -18.219 5.539 656 HB3 GLU 116 3HB GLU 116 11.163 -17.354 4.540 657 HG2 GLU 116 2HG GLU 116 12.034 -19.502 5.281 658 HG3 GLU 116 3HG GLU 116 13.001 -18.178 5.940 659 H ASN 117 H ASN 117 10.439 -15.054 4.361 660 HA ASN 117 HA ASN 117 12.081 -12.763 5.171 661 HB2 ASN 117 2HB ASN 117 13.757 -14.222 4.064 662 HB3 ASN 117 3HB ASN 117 12.775 -14.254 2.596 663 HD21 ASN 117 1HD2 ASN 117 14.226 -11.873 4.874 664 HD22 ASN 117 2HD2 ASN 117 14.539 -10.669 3.615 665 H SER 118 H SER 118 9.690 -14.035 3.031 666 HA SER 118 HA SER 118 8.287 -12.927 1.406 667 HB2 SER 118 2HB SER 118 10.562 -10.989 0.937 668 HB3 SER 118 3HB SER 118 9.035 -11.092 0.046 669 HG SER 118 HG SER 118 9.470 -10.423 2.739 Start of MODEL 9 1 HA PRO 31 HA PRO 31 -0.341 12.212 6.217 2 HB2 PRO 31 2HB PRO 31 0.725 10.131 8.133 3 HB3 PRO 31 3HB PRO 31 1.613 11.420 7.257 4 HG2 PRO 31 2HG PRO 31 1.005 11.759 9.870 5 HG3 PRO 31 3HG PRO 31 0.735 13.115 8.720 6 HD2 PRO 31 2HD PRO 31 -1.276 11.093 9.749 7 HD3 PRO 31 3HD PRO 31 -1.439 12.872 9.669 8 H VAL 32 H VAL 32 0.096 10.778 4.591 9 HA VAL 32 HA VAL 32 -2.156 9.302 3.769 10 HB VAL 32 HB VAL 32 -0.598 10.454 2.268 11 HG11 VAL 32 1HG1 VAL 32 1.361 8.160 2.725 12 HG12 VAL 32 2HG1 VAL 32 1.518 9.461 1.539 13 HG13 VAL 32 3HG1 VAL 32 1.592 9.833 3.267 14 HG21 VAL 32 1HG2 VAL 32 -0.601 8.869 0.458 15 HG22 VAL 32 2HG2 VAL 32 -0.762 7.512 1.601 16 HG23 VAL 32 3HG2 VAL 32 -2.088 8.697 1.425 17 H GLU 33 H GLU 33 0.674 8.198 5.374 18 HA GLU 33 HA GLU 33 0.278 5.374 4.680 19 HB2 GLU 33 2HB GLU 33 2.324 4.999 5.732 20 HB3 GLU 33 3HB GLU 33 2.467 6.477 4.801 21 HG2 GLU 33 2HG GLU 33 1.958 6.713 7.750 22 HG3 GLU 33 3HG GLU 33 3.521 6.140 7.151 23 H ALA 34 H ALA 34 -0.244 7.400 7.389 24 HA ALA 34 HA ALA 34 -1.255 5.373 9.234 25 HB1 ALA 34 1HB ALA 34 -1.949 7.254 10.530 26 HB2 ALA 34 2HB ALA 34 -0.409 7.706 9.803 27 HB3 ALA 34 3HB ALA 34 -1.911 8.346 9.121 28 H ALA 35 H ALA 35 -2.719 7.542 6.780 29 HA ALA 35 HA ALA 35 -5.413 6.647 7.053 30 HB1 ALA 35 1HB ALA 35 -4.002 7.709 4.570 31 HB2 ALA 35 2HB ALA 35 -5.748 7.648 4.862 32 HB3 ALA 35 3HB ALA 35 -4.721 8.698 5.857 33 H ILE 36 H ILE 36 -2.902 5.439 4.648 34 HA ILE 36 HA ILE 36 -4.643 3.400 3.737 35 HB ILE 36 HB ILE 36 -2.541 4.295 2.646 36 HG12 ILE 36 2HG1 ILE 36 -3.029 1.302 2.557 37 HG13 ILE 36 3HG1 ILE 36 -4.013 2.522 1.727 38 HG21 ILE 36 1HG2 ILE 36 -1.179 1.969 4.076 39 HG22 ILE 36 2HG2 ILE 36 -0.457 3.098 2.928 40 HG23 ILE 36 3HG2 ILE 36 -0.973 3.679 4.498 41 HD11 ILE 36 1HD1 ILE 36 -1.064 1.990 1.178 42 HD12 ILE 36 2HD1 ILE 36 -2.425 1.458 0.186 43 HD13 ILE 36 3HD1 ILE 36 -2.092 3.191 0.364 44 H ARG 37 H ARG 37 -2.111 3.132 6.278 45 HA ARG 37 HA ARG 37 -2.461 0.477 7.111 46 HB2 ARG 37 2HB ARG 37 -0.925 2.171 8.092 47 HB3 ARG 37 3HB ARG 37 -2.265 2.970 8.883 48 HG2 ARG 37 2HG ARG 37 -1.306 0.136 9.459 49 HG3 ARG 37 3HG ARG 37 -0.847 1.608 10.316 50 HD2 ARG 37 2HD ARG 37 -3.300 1.915 10.926 51 HD3 ARG 37 3HD ARG 37 -3.540 0.237 10.383 52 HE ARG 37 HE ARG 37 -1.374 0.035 12.063 53 HH11 ARG 37 1HH1 ARG 37 -4.709 0.512 12.668 54 HH12 ARG 37 2HH1 ARG 37 -4.521 0.941 14.331 55 HH21 ARG 37 1HH2 ARG 37 -1.142 0.247 14.262 56 HH22 ARG 37 2HH2 ARG 37 -2.553 0.671 15.226 57 H THR 38 H THR 38 -4.415 3.251 8.233 58 HA THR 38 HA THR 38 -6.403 1.764 9.603 59 HB THR 38 HB THR 38 -6.735 4.456 8.225 60 HG1 THR 38 1HG THR 38 -5.090 4.663 9.568 61 HG21 THR 38 1HG2 THR 38 -8.406 4.888 9.950 62 HG22 THR 38 2HG2 THR 38 -8.173 3.274 10.639 63 HG23 THR 38 3HG2 THR 38 -8.895 3.480 9.026 64 H LYS 39 H LYS 39 -6.616 2.974 6.203 65 HA LYS 39 HA LYS 39 -9.237 1.927 5.697 66 HB2 LYS 39 2HB LYS 39 -6.937 2.641 3.829 67 HB3 LYS 39 3HB LYS 39 -8.548 2.239 3.264 68 HG2 LYS 39 2HG LYS 39 -7.927 4.573 5.121 69 HG3 LYS 39 3HG LYS 39 -8.056 4.698 3.373 70 HD2 LYS 39 2HD LYS 39 -10.319 3.781 5.204 71 HD3 LYS 39 3HD LYS 39 -10.068 5.436 4.642 72 HE2 LYS 39 2HE LYS 39 -10.364 4.819 2.336 73 HE3 LYS 39 3HE LYS 39 -10.452 3.096 2.744 74 HZ1 LYS 39 1HZ LYS 39 -12.369 5.091 3.793 75 HZ2 LYS 39 2HZ LYS 39 -12.491 3.445 3.868 76 HZ3 LYS 39 3HZ LYS 39 -12.644 4.239 2.424 77 H LEU 40 H LEU 40 -6.045 0.443 5.221 78 HA LEU 40 HA LEU 40 -7.207 -1.952 4.019 79 HB2 LEU 40 2HB LEU 40 -4.409 -1.161 4.843 80 HB3 LEU 40 3HB LEU 40 -4.789 -2.756 4.247 81 HG LEU 40 HG LEU 40 -3.815 -1.057 2.600 82 HD11 LEU 40 1HD1 LEU 40 -5.124 -1.924 0.707 83 HD12 LEU 40 2HD1 LEU 40 -6.342 -2.549 1.837 84 HD13 LEU 40 3HD1 LEU 40 -4.678 -3.193 1.863 85 HD21 LEU 40 1HD2 LEU 40 -5.381 0.872 2.940 86 HD22 LEU 40 2HD2 LEU 40 -6.695 -0.120 2.279 87 HD23 LEU 40 3HD2 LEU 40 -5.304 0.319 1.279 88 H GLU 41 H GLU 41 -6.281 -1.024 7.373 89 HA GLU 41 HA GLU 41 -7.035 -3.634 8.462 90 HB2 GLU 41 2HB GLU 41 -6.813 -0.852 9.638 91 HB3 GLU 41 3HB GLU 41 -7.500 -2.205 10.544 92 HG2 GLU 41 2HG GLU 41 -5.438 -3.521 10.207 93 HG3 GLU 41 3HG GLU 41 -4.694 -2.151 9.369 94 H GLU 42 H GLU 42 -8.924 -0.806 7.391 95 HA GLU 42 HA GLU 42 -11.461 -1.918 8.310 96 HB2 GLU 42 2HB GLU 42 -11.755 0.263 8.028 97 HB3 GLU 42 3HB GLU 42 -10.519 0.438 6.803 98 HG2 GLU 42 2HG GLU 42 -11.973 -0.356 5.064 99 HG3 GLU 42 3HG GLU 42 -13.263 -0.720 6.221 100 H ALA 43 H ALA 43 -9.544 -2.294 5.309 101 HA ALA 43 HA ALA 43 -11.579 -3.975 4.116 102 HB1 ALA 43 1HB ALA 43 -8.681 -3.525 3.354 103 HB2 ALA 43 2HB ALA 43 -9.920 -4.315 2.353 104 HB3 ALA 43 3HB ALA 43 -10.090 -2.605 2.784 105 H LEU 44 H LEU 44 -8.286 -4.965 5.362 106 HA LEU 44 HA LEU 44 -9.272 -7.777 5.387 107 HB2 LEU 44 2HB LEU 44 -7.285 -8.520 4.295 108 HB3 LEU 44 3HB LEU 44 -8.234 -7.425 3.328 109 HG LEU 44 HG LEU 44 -6.285 -5.827 4.763 110 HD11 LEU 44 1HD1 LEU 44 -4.193 -6.739 3.882 111 HD12 LEU 44 2HD1 LEU 44 -5.055 -8.180 3.296 112 HD13 LEU 44 3HD1 LEU 44 -4.949 -7.857 5.035 113 HD21 LEU 44 1HD2 LEU 44 -5.634 -5.233 2.491 114 HD22 LEU 44 2HD2 LEU 44 -7.410 -5.364 2.640 115 HD23 LEU 44 3HD2 LEU 44 -6.499 -6.665 1.859 116 H SER 45 H SER 45 -7.304 -5.476 7.067 117 HA SER 45 HA SER 45 -6.053 -5.537 8.926 118 HB2 SER 45 2HB SER 45 -7.844 -7.299 9.625 119 HB3 SER 45 3HB SER 45 -6.448 -8.380 9.595 120 HG SER 45 HG SER 45 -5.410 -6.702 10.998 121 HA PRO 46 HA PRO 46 -2.369 -6.917 6.441 122 HB2 PRO 46 2HB PRO 46 -1.546 -4.473 8.020 123 HB3 PRO 46 3HB PRO 46 -1.018 -4.951 6.399 124 HG2 PRO 46 2HG PRO 46 -2.910 -3.061 6.780 125 HG3 PRO 46 3HG PRO 46 -3.138 -4.285 5.470 126 HD2 PRO 46 2HD PRO 46 -4.425 -4.140 8.181 127 HD3 PRO 46 3HD PRO 46 -5.084 -4.753 6.628 128 H GLU 47 H GLU 47 -0.342 -7.898 7.072 129 HA GLU 47 HA GLU 47 0.066 -8.406 9.899 130 HB2 GLU 47 2HB GLU 47 0.433 -9.954 7.709 131 HB3 GLU 47 3HB GLU 47 2.028 -9.311 7.882 132 HG2 GLU 47 2HG GLU 47 2.065 -11.240 9.052 133 HG3 GLU 47 3HG GLU 47 1.962 -10.029 10.328 134 H VAL 48 H VAL 48 2.052 -6.978 7.362 135 HA VAL 48 HA VAL 48 3.957 -6.280 9.557 136 HB VAL 48 HB VAL 48 5.715 -6.224 7.884 137 HG11 VAL 48 1HG1 VAL 48 4.952 -8.484 8.207 138 HG12 VAL 48 2HG1 VAL 48 3.693 -8.199 6.964 139 HG13 VAL 48 3HG1 VAL 48 5.403 -8.100 6.497 140 HG21 VAL 48 1HG2 VAL 48 5.126 -6.307 5.529 141 HG22 VAL 48 2HG2 VAL 48 3.367 -6.119 6.023 142 HG23 VAL 48 3HG2 VAL 48 4.589 -4.797 6.242 143 H LEU 49 H LEU 49 1.933 -4.788 7.982 144 HA LEU 49 HA LEU 49 2.605 -3.575 5.992 145 HB2 LEU 49 2HB LEU 49 0.389 -3.270 6.745 146 HB3 LEU 49 3HB LEU 49 0.854 -2.232 8.057 147 HG LEU 49 HG LEU 49 -0.553 -1.234 6.381 148 HD11 LEU 49 1HD1 LEU 49 0.858 0.112 7.918 149 HD12 LEU 49 2HD1 LEU 49 0.403 0.925 6.410 150 HD13 LEU 49 3HD1 LEU 49 2.038 0.284 6.607 151 HD21 LEU 49 1HD2 LEU 49 0.265 -0.378 4.321 152 HD22 LEU 49 2HD2 LEU 49 0.391 -2.151 4.336 153 HD23 LEU 49 3HD2 LEU 49 1.857 -1.159 4.559 154 H GLU 50 H GLU 50 4.507 -2.673 5.295 155 HA GLU 50 HA GLU 50 5.650 -0.411 6.974 156 HB2 GLU 50 2HB GLU 50 7.258 -2.529 5.551 157 HB3 GLU 50 3HB GLU 50 7.852 -1.106 6.357 158 HG2 GLU 50 2HG GLU 50 6.613 -2.083 8.453 159 HG3 GLU 50 3HG GLU 50 6.779 -3.616 7.586 160 H LEU 51 H LEU 51 6.214 1.406 5.966 161 HA LEU 51 HA LEU 51 6.440 1.509 3.032 162 HB2 LEU 51 2HB LEU 51 4.357 2.508 2.594 163 HB3 LEU 51 3HB LEU 51 4.105 1.057 3.559 164 HG LEU 51 HG LEU 51 3.777 3.910 4.298 165 HD11 LEU 51 1HD1 LEU 51 1.953 1.489 4.527 166 HD12 LEU 51 2HD1 LEU 51 1.900 2.710 3.242 167 HD13 LEU 51 3HD1 LEU 51 1.478 3.140 4.911 168 HD21 LEU 51 1HD2 LEU 51 4.809 3.096 6.324 169 HD22 LEU 51 2HD2 LEU 51 3.841 1.603 6.284 170 HD23 LEU 51 3HD2 LEU 51 3.080 3.157 6.636 171 H ARG 52 H ARG 52 6.322 3.738 2.071 172 HA ARG 52 HA ARG 52 7.240 5.950 3.775 173 HB2 ARG 52 2HB ARG 52 9.293 4.610 3.226 174 HB3 ARG 52 3HB ARG 52 8.958 4.848 1.505 175 HG2 ARG 52 2HG ARG 52 9.232 7.283 1.762 176 HG3 ARG 52 3HG ARG 52 9.457 7.086 3.515 177 HD2 ARG 52 2HD ARG 52 11.461 5.684 3.069 178 HD3 ARG 52 3HD ARG 52 11.269 5.937 1.337 179 HE ARG 52 HE ARG 52 12.307 7.819 3.329 180 HH11 ARG 52 1HH1 ARG 52 11.152 7.615 -0.038 181 HH12 ARG 52 2HH1 ARG 52 11.716 9.274 -0.310 182 HH21 ARG 52 1HH2 ARG 52 12.887 9.861 2.792 183 HH22 ARG 52 2HH2 ARG 52 12.651 10.418 1.125 184 H ASN 53 H ASN 53 6.755 7.943 2.883 185 HA ASN 53 HA ASN 53 5.805 7.995 0.061 186 HB2 ASN 53 2HB ASN 53 4.004 9.020 0.738 187 HB3 ASN 53 3HB ASN 53 4.537 8.978 2.392 188 HD21 ASN 53 1HD2 ASN 53 4.279 11.107 3.237 189 HD22 ASN 53 2HD2 ASN 53 4.654 12.546 2.300 190 H GLU 54 H GLU 54 6.736 9.170 -1.364 191 HA GLU 54 HA GLU 54 9.549 9.946 -0.788 192 HB2 GLU 54 2HB GLU 54 8.901 8.069 -2.321 193 HB3 GLU 54 3HB GLU 54 8.053 9.225 -3.343 194 HG2 GLU 54 2HG GLU 54 10.204 10.350 -3.851 195 HG3 GLU 54 3HG GLU 54 11.038 9.226 -2.761 196 H SER 55 H SER 55 6.587 11.444 -1.461 197 HA SER 55 HA SER 55 7.117 13.204 -3.512 198 HB2 SER 55 2HB SER 55 5.084 14.230 -2.925 199 HB3 SER 55 3HB SER 55 5.013 12.466 -2.581 200 HG SER 55 HG SER 55 5.224 12.893 -0.415 201 H GLY 56 H GLY 56 8.218 13.712 -0.214 202 HA2 GLY 56 2HA GLY 56 8.566 16.572 -0.385 203 HA3 GLY 56 3HA GLY 56 9.479 15.472 0.657 204 H GLY 57 H GLY 57 10.282 13.936 -1.933 205 HA2 GLY 57 2HA GLY 57 12.618 15.461 -2.790 206 HA3 GLY 57 3HA GLY 57 12.070 13.900 -3.390 207 H HIS 58 H HIS 58 9.392 15.869 -3.646 208 HA HIS 58 HA HIS 58 9.970 16.511 -6.495 209 HB2 HIS 58 2HB HIS 58 7.425 15.505 -5.159 210 HB3 HIS 58 3HB HIS 58 7.519 16.065 -6.797 211 HD1 HIS 58 1HD HIS 58 8.893 14.606 -8.576 212 HD2 HIS 58 2HD HIS 58 8.827 13.097 -4.662 213 HE1 HIS 58 1HE HIS 58 9.862 12.256 -8.704 214 H ALA 59 H ALA 59 10.236 18.348 -4.069 215 HA ALA 59 HA ALA 59 9.794 20.468 -3.459 216 HB1 ALA 59 1HB ALA 59 11.009 20.673 -5.577 217 HB2 ALA 59 2HB ALA 59 9.480 20.827 -6.452 218 HB3 ALA 59 3HB ALA 59 9.957 22.073 -5.270 219 H VAL 60 H VAL 60 7.600 19.072 -2.861 220 HA VAL 60 HA VAL 60 5.204 20.418 -3.964 221 HB VAL 60 HB VAL 60 3.912 18.537 -3.140 222 HG11 VAL 60 1HG1 VAL 60 4.691 16.827 -4.587 223 HG12 VAL 60 2HG1 VAL 60 5.029 18.387 -5.356 224 HG13 VAL 60 3HG1 VAL 60 6.336 17.473 -4.567 225 HG21 VAL 60 1HG2 VAL 60 6.526 17.517 -1.993 226 HG22 VAL 60 2HG2 VAL 60 5.048 17.928 -1.102 227 HG23 VAL 60 3HG2 VAL 60 5.065 16.536 -2.194 228 HA PRO 61 HA PRO 61 4.333 22.785 -0.406 229 HB2 PRO 61 2HB PRO 61 1.461 21.890 -0.453 230 HB3 PRO 61 3HB PRO 61 2.126 23.551 -0.492 231 HG2 PRO 61 2HG PRO 61 1.155 22.418 -2.747 232 HG3 PRO 61 3HG PRO 61 2.682 23.363 -2.804 233 HD2 PRO 61 2HD PRO 61 2.349 20.354 -2.580 234 HD3 PRO 61 3HD PRO 61 3.363 21.282 -3.718 235 HA PRO 62 HA PRO 62 4.476 20.256 3.251 236 HB2 PRO 62 2HB PRO 62 3.386 21.836 5.231 237 HB3 PRO 62 3HB PRO 62 5.013 22.081 4.525 238 HG2 PRO 62 2HG PRO 62 2.425 23.474 3.762 239 HG3 PRO 62 3HG PRO 62 4.023 24.214 4.106 240 HD2 PRO 62 2HD PRO 62 3.222 23.752 1.568 241 HD3 PRO 62 3HD PRO 62 4.921 23.448 2.041 242 H GLY 63 H GLY 63 3.283 18.615 4.024 243 HA2 GLY 63 2HA GLY 63 1.469 17.318 4.617 244 HA3 GLY 63 3HA GLY 63 0.386 18.692 4.406 245 H SER 64 H SER 64 2.010 18.576 1.493 246 HA SER 64 HA SER 64 0.006 16.889 0.166 247 HB2 SER 64 2HB SER 64 0.810 19.082 -0.814 248 HB3 SER 64 3HB SER 64 2.369 18.285 -1.120 249 HG SER 64 HG SER 64 0.836 18.195 -2.897 250 H GLU 65 H GLU 65 0.382 14.998 -0.669 251 HA GLU 65 HA GLU 65 2.898 13.498 -0.090 252 HB2 GLU 65 2HB GLU 65 0.105 12.707 0.764 253 HB3 GLU 65 3HB GLU 65 1.568 11.745 0.973 254 HG2 GLU 65 2HG GLU 65 2.516 13.355 2.509 255 HG3 GLU 65 3HG GLU 65 1.204 14.497 2.236 256 H THR 66 H THR 66 2.821 14.005 -2.636 257 HA THR 66 HA THR 66 0.647 12.888 -4.147 258 HB THR 66 HB THR 66 1.918 13.716 -6.073 259 HG1 THR 66 1HG THR 66 3.985 14.333 -5.902 260 HG21 THR 66 1HG2 THR 66 2.179 16.057 -5.529 261 HG22 THR 66 2HG2 THR 66 2.255 15.719 -3.794 262 HG23 THR 66 3HG2 THR 66 0.741 15.441 -4.686 263 H HIS 67 H HIS 67 3.377 11.442 -2.848 264 HA HIS 67 HA HIS 67 3.783 9.520 -5.086 265 HB2 HIS 67 2HB HIS 67 5.265 11.813 -4.528 266 HB3 HIS 67 3HB HIS 67 6.185 10.560 -3.771 267 HD1 HIS 67 1HD HIS 67 7.873 9.502 -5.738 268 HD2 HIS 67 2HD HIS 67 4.266 11.287 -6.972 269 HE1 HIS 67 1HE HIS 67 8.006 9.651 -8.271 270 H PHE 68 H PHE 68 3.708 7.444 -4.283 271 HA PHE 68 HA PHE 68 4.537 7.034 -1.451 272 HB2 PHE 68 2HB PHE 68 2.126 7.750 -1.818 273 HB3 PHE 68 3HB PHE 68 1.836 6.265 -2.667 274 HD1 PHE 68 1HD PHE 68 3.904 6.698 0.478 275 HD2 PHE 68 2HD PHE 68 0.150 5.442 -1.229 276 HE1 PHE 68 1HE PHE 68 3.221 5.811 2.687 277 HE2 PHE 68 2HE PHE 68 -0.552 4.612 1.000 278 HZ PHE 68 HZ PHE 68 0.997 4.761 2.923 279 H ARG 69 H ARG 69 5.338 5.069 -0.808 280 HA ARG 69 HA ARG 69 5.285 2.792 -2.737 281 HB2 ARG 69 2HB ARG 69 7.450 4.605 -2.398 282 HB3 ARG 69 3HB ARG 69 7.903 3.201 -1.460 283 HG2 ARG 69 2HG ARG 69 8.784 2.880 -3.647 284 HG3 ARG 69 3HG ARG 69 7.434 1.766 -3.460 285 HD2 ARG 69 2HD ARG 69 7.241 2.649 -5.638 286 HD3 ARG 69 3HD ARG 69 5.978 3.425 -4.711 287 HE ARG 69 HE ARG 69 8.216 5.166 -4.639 288 HH11 ARG 69 1HH1 ARG 69 6.489 3.705 -7.297 289 HH12 ARG 69 2HH1 ARG 69 6.219 5.201 -8.137 290 HH21 ARG 69 1HH2 ARG 69 8.305 7.011 -6.061 291 HH22 ARG 69 2HH2 ARG 69 7.496 6.852 -7.606 292 H VAL 70 H VAL 70 4.531 1.049 -1.786 293 HA VAL 70 HA VAL 70 4.764 0.805 1.204 294 HB VAL 70 HB VAL 70 2.418 -0.112 -0.453 295 HG11 VAL 70 1HG1 VAL 70 1.201 -0.257 1.577 296 HG12 VAL 70 2HG1 VAL 70 2.754 -1.031 1.981 297 HG13 VAL 70 3HG1 VAL 70 2.405 0.604 2.482 298 HG21 VAL 70 1HG2 VAL 70 2.722 2.583 0.919 299 HG22 VAL 70 2HG2 VAL 70 2.449 2.276 -0.807 300 HG23 VAL 70 3HG2 VAL 70 1.183 1.901 0.356 301 H ALA 71 H ALA 71 5.321 -1.020 2.114 302 HA ALA 71 HA ALA 71 5.353 -3.547 0.501 303 HB1 ALA 71 1HB ALA 71 7.464 -2.939 1.755 304 HB2 ALA 71 2HB ALA 71 6.558 -3.165 3.275 305 HB3 ALA 71 3HB ALA 71 6.754 -4.512 2.147 306 H VAL 72 H VAL 72 3.496 -4.492 0.502 307 HA VAL 72 HA VAL 72 1.720 -4.317 2.893 308 HB VAL 72 HB VAL 72 -0.190 -4.819 1.488 309 HG11 VAL 72 1HG1 VAL 72 1.288 -2.385 0.466 310 HG12 VAL 72 2HG1 VAL 72 -0.470 -2.613 0.573 311 HG13 VAL 72 3HG1 VAL 72 0.489 -2.496 2.057 312 HG21 VAL 72 1HG2 VAL 72 1.666 -4.510 -0.904 313 HG22 VAL 72 2HG2 VAL 72 0.612 -5.890 -0.501 314 HG23 VAL 72 3HG2 VAL 72 -0.100 -4.360 -0.986 315 H VAL 73 H VAL 73 1.968 -6.053 4.101 316 HA VAL 73 HA VAL 73 2.059 -8.690 2.730 317 HB VAL 73 HB VAL 73 3.827 -7.797 4.883 318 HG11 VAL 73 1HG1 VAL 73 4.877 -9.754 5.164 319 HG12 VAL 73 2HG1 VAL 73 3.190 -10.136 5.324 320 HG13 VAL 73 3HG1 VAL 73 4.038 -10.554 3.802 321 HG21 VAL 73 1HG2 VAL 73 4.241 -8.149 2.010 322 HG22 VAL 73 2HG2 VAL 73 4.939 -6.972 3.119 323 HG23 VAL 73 3HG2 VAL 73 5.567 -8.629 3.077 324 H SER 74 H SER 74 0.759 -10.072 3.385 325 HA SER 74 HA SER 74 -0.576 -10.079 6.010 326 HB2 SER 74 2HB SER 74 -1.768 -8.275 4.879 327 HB3 SER 74 3HB SER 74 -2.056 -9.332 3.475 328 HG SER 74 HG SER 74 -2.938 -9.926 6.135 329 H SER 75 H SER 75 -1.752 -11.960 6.429 330 HA SER 75 HA SER 75 -1.114 -14.377 4.982 331 HB2 SER 75 2HB SER 75 -1.703 -14.219 7.409 332 HB3 SER 75 3HB SER 75 -3.370 -13.835 6.954 333 HG SER 75 HG SER 75 -3.320 -15.985 7.307 334 H ARG 76 H ARG 76 -3.640 -12.025 4.605 335 HA ARG 76 HA ARG 76 -5.723 -13.604 3.480 336 HB2 ARG 76 2HB ARG 76 -4.996 -10.654 3.437 337 HB3 ARG 76 3HB ARG 76 -6.412 -11.235 2.590 338 HG2 ARG 76 2HG ARG 76 -6.178 -12.251 5.381 339 HG3 ARG 76 3HG ARG 76 -6.328 -10.495 5.261 340 HD2 ARG 76 2HD ARG 76 -8.538 -11.492 5.515 341 HD3 ARG 76 3HD ARG 76 -8.385 -10.736 3.930 342 HE ARG 76 HE ARG 76 -8.056 -13.700 4.400 343 HH11 ARG 76 1HH1 ARG 76 -9.695 -11.239 2.419 344 HH12 ARG 76 2HH1 ARG 76 -9.973 -12.450 1.171 345 HH21 ARG 76 1HH2 ARG 76 -8.427 -15.005 2.768 346 HH22 ARG 76 2HH2 ARG 76 -9.384 -14.460 1.376 347 H PHE 77 H PHE 77 -2.844 -12.554 1.869 348 HA PHE 77 HA PHE 77 -4.068 -12.300 -0.752 349 HB2 PHE 77 2HB PHE 77 -1.161 -12.300 0.098 350 HB3 PHE 77 3HB PHE 77 -1.803 -11.745 -1.435 351 HD1 PHE 77 1HD PHE 77 0.019 -10.183 0.265 352 HD2 PHE 77 2HD PHE 77 -4.295 -10.258 0.150 353 HE1 PHE 77 1HE PHE 77 -0.062 -7.847 1.081 354 HE2 PHE 77 2HE PHE 77 -4.359 -7.939 0.977 355 HZ PHE 77 HZ PHE 77 -2.241 -6.704 1.412 356 H GLU 78 H GLU 78 -4.327 -14.974 0.518 357 HA GLU 78 HA GLU 78 -2.461 -16.625 -0.917 358 HB2 GLU 78 2HB GLU 78 -3.524 -18.463 0.233 359 HB3 GLU 78 3HB GLU 78 -3.042 -17.185 1.337 360 HG2 GLU 78 2HG GLU 78 -5.412 -16.410 1.449 361 HG3 GLU 78 3HG GLU 78 -5.884 -17.729 0.366 362 H GLY 79 H GLY 79 -2.751 -18.104 -2.524 363 HA2 GLY 79 2HA GLY 79 -3.746 -19.438 -4.041 364 HA3 GLY 79 3HA GLY 79 -5.331 -18.902 -3.499 365 H LEU 80 H LEU 80 -3.303 -16.349 -4.704 366 HA LEU 80 HA LEU 80 -4.420 -16.402 -7.445 367 HB2 LEU 80 2HB LEU 80 -4.628 -13.800 -6.746 368 HB3 LEU 80 3HB LEU 80 -5.970 -14.905 -6.803 369 HG LEU 80 HG LEU 80 -5.549 -15.149 -4.362 370 HD11 LEU 80 1HD1 LEU 80 -4.258 -13.319 -3.219 371 HD12 LEU 80 2HD1 LEU 80 -3.622 -12.849 -4.806 372 HD13 LEU 80 3HD1 LEU 80 -3.235 -14.438 -4.128 373 HD21 LEU 80 1HD2 LEU 80 -7.308 -13.718 -5.146 374 HD22 LEU 80 2HD2 LEU 80 -6.171 -12.358 -5.293 375 HD23 LEU 80 3HD2 LEU 80 -6.555 -13.046 -3.698 376 H SER 81 H SER 81 -3.301 -15.078 -8.936 377 HA SER 81 HA SER 81 -0.476 -14.839 -8.649 378 HB2 SER 81 2HB SER 81 -1.448 -15.131 -10.805 379 HB3 SER 81 3HB SER 81 -2.434 -13.683 -10.634 380 HG SER 81 HG SER 81 -0.828 -13.055 -11.861 381 HA PRO 82 HA PRO 82 0.038 -10.902 -6.544 382 HB2 PRO 82 2HB PRO 82 2.396 -10.637 -8.421 383 HB3 PRO 82 3HB PRO 82 2.301 -10.285 -6.666 384 HG2 PRO 82 2HG PRO 82 3.386 -12.610 -7.509 385 HG3 PRO 82 3HG PRO 82 2.235 -12.623 -6.132 386 HD2 PRO 82 2HD PRO 82 1.699 -13.305 -9.036 387 HD3 PRO 82 3HD PRO 82 1.177 -14.155 -7.549 388 H LEU 83 H LEU 83 0.600 -10.758 -10.137 389 HA LEU 83 HA LEU 83 -0.169 -8.034 -10.394 390 HB2 LEU 83 2HB LEU 83 1.133 -9.246 -12.075 391 HB3 LEU 83 3HB LEU 83 -0.237 -10.303 -12.420 392 HG LEU 83 HG LEU 83 -1.516 -8.385 -13.309 393 HD11 LEU 83 1HD1 LEU 83 -0.598 -6.508 -12.009 394 HD12 LEU 83 2HD1 LEU 83 -0.346 -6.215 -13.729 395 HD13 LEU 83 3HD1 LEU 83 1.008 -6.769 -12.728 396 HD21 LEU 83 1HD2 LEU 83 -0.056 -9.706 -14.801 397 HD22 LEU 83 2HD2 LEU 83 1.279 -8.575 -14.481 398 HD23 LEU 83 3HD2 LEU 83 -0.178 -8.016 -15.326 399 H GLN 84 H GLN 84 -2.141 -10.999 -10.547 400 HA GLN 84 HA GLN 84 -4.595 -9.815 -11.400 401 HB2 GLN 84 2HB GLN 84 -4.102 -12.200 -11.473 402 HB3 GLN 84 3HB GLN 84 -4.008 -12.283 -9.713 403 HG2 GLN 84 2HG GLN 84 -6.384 -11.771 -9.512 404 HG3 GLN 84 3HG GLN 84 -6.523 -11.638 -11.285 405 HE21 GLN 84 1HE2 GLN 84 -6.941 -13.733 -8.668 406 HE22 GLN 84 2HE2 GLN 84 -6.744 -15.260 -9.555 407 H ARG 85 H ARG 85 -3.366 -10.474 -8.049 408 HA ARG 85 HA ARG 85 -5.646 -9.114 -6.841 409 HB2 ARG 85 2HB ARG 85 -4.520 -9.237 -4.769 410 HB3 ARG 85 3HB ARG 85 -4.477 -10.796 -5.568 411 HG2 ARG 85 2HG ARG 85 -2.177 -10.719 -5.927 412 HG3 ARG 85 3HG ARG 85 -2.064 -8.967 -5.801 413 HD2 ARG 85 2HD ARG 85 -2.945 -10.601 -3.390 414 HD3 ARG 85 3HD ARG 85 -1.244 -10.524 -3.830 415 HE ARG 85 HE ARG 85 -1.109 -8.288 -3.282 416 HH11 ARG 85 1HH1 ARG 85 -4.466 -9.277 -2.686 417 HH12 ARG 85 2HH1 ARG 85 -4.826 -7.790 -1.882 418 HH21 ARG 85 1HH2 ARG 85 -1.686 -6.444 -2.195 419 HH22 ARG 85 2HH2 ARG 85 -3.309 -6.306 -1.546 420 H HIS 86 H HIS 86 -2.403 -7.947 -7.739 421 HA HIS 86 HA HIS 86 -2.629 -5.324 -6.615 422 HB2 HIS 86 2HB HIS 86 -1.114 -6.671 -8.806 423 HB3 HIS 86 3HB HIS 86 -1.118 -4.898 -8.788 424 HD1 HIS 86 1HD HIS 86 1.377 -4.567 -8.113 425 HD2 HIS 86 2HD HIS 86 -0.752 -7.211 -5.642 426 HE1 HIS 86 1HE HIS 86 2.950 -5.211 -6.221 427 H ARG 87 H ARG 87 -3.518 -6.469 -9.946 428 HA ARG 87 HA ARG 87 -4.815 -4.100 -10.829 429 HB2 ARG 87 2HB ARG 87 -5.250 -7.045 -11.454 430 HB3 ARG 87 3HB ARG 87 -6.172 -5.766 -12.253 431 HG2 ARG 87 2HG ARG 87 -4.217 -4.783 -13.215 432 HG3 ARG 87 3HG ARG 87 -3.122 -5.799 -12.259 433 HD2 ARG 87 2HD ARG 87 -3.886 -7.807 -13.394 434 HD3 ARG 87 3HD ARG 87 -5.144 -6.893 -14.249 435 HE ARG 87 HE ARG 87 -2.604 -5.732 -14.861 436 HH11 ARG 87 1HH1 ARG 87 -4.375 -8.698 -15.619 437 HH12 ARG 87 2HH1 ARG 87 -3.705 -8.732 -17.239 438 HH21 ARG 87 1HH2 ARG 87 -1.853 -5.869 -16.808 439 HH22 ARG 87 2HH2 ARG 87 -2.511 -6.990 -17.991 440 H LEU 88 H LEU 88 -6.319 -6.868 -9.030 441 HA LEU 88 HA LEU 88 -8.906 -5.806 -8.875 442 HB2 LEU 88 2HB LEU 88 -7.960 -8.061 -8.144 443 HB3 LEU 88 3HB LEU 88 -7.429 -7.322 -6.668 444 HG LEU 88 HG LEU 88 -9.496 -8.662 -6.567 445 HD11 LEU 88 1HD1 LEU 88 -9.989 -5.792 -5.695 446 HD12 LEU 88 2HD1 LEU 88 -8.943 -6.949 -4.837 447 HD13 LEU 88 3HD1 LEU 88 -10.675 -7.269 -5.006 448 HD21 LEU 88 1HD2 LEU 88 -10.878 -6.317 -7.934 449 HD22 LEU 88 2HD2 LEU 88 -11.635 -7.773 -7.272 450 HD23 LEU 88 3HD2 LEU 88 -10.565 -7.904 -8.681 451 H VAL 89 H VAL 89 -6.259 -5.315 -6.529 452 HA VAL 89 HA VAL 89 -7.596 -3.425 -4.839 453 HB VAL 89 HB VAL 89 -4.650 -3.969 -5.381 454 HG11 VAL 89 1HG1 VAL 89 -4.178 -2.891 -3.203 455 HG12 VAL 89 2HG1 VAL 89 -4.774 -1.744 -4.397 456 HG13 VAL 89 3HG1 VAL 89 -5.866 -2.333 -3.126 457 HG21 VAL 89 1HG2 VAL 89 -6.403 -4.727 -3.006 458 HG22 VAL 89 2HG2 VAL 89 -6.020 -5.823 -4.338 459 HG23 VAL 89 3HG2 VAL 89 -4.716 -5.210 -3.323 460 H HIS 90 H HIS 90 -5.772 -2.921 -7.782 461 HA HIS 90 HA HIS 90 -5.518 -0.031 -7.562 462 HB2 HIS 90 2HB HIS 90 -5.069 -2.007 -9.832 463 HB3 HIS 90 3HB HIS 90 -4.827 -0.282 -10.001 464 HD1 HIS 90 1HD HIS 90 -2.302 -0.931 -10.614 465 HD2 HIS 90 2HD HIS 90 -3.535 -1.687 -6.658 466 HE1 HIS 90 1HE HIS 90 -0.170 -1.390 -9.252 467 H ALA 91 H ALA 91 -7.880 -2.208 -9.107 468 HA ALA 91 HA ALA 91 -9.415 0.087 -10.150 469 HB1 ALA 91 1HB ALA 91 -10.898 -1.649 -11.012 470 HB2 ALA 91 2HB ALA 91 -9.219 -2.032 -11.412 471 HB3 ALA 91 3HB ALA 91 -10.031 -2.895 -10.088 472 H ALA 92 H ALA 92 -9.962 -2.428 -7.653 473 HA ALA 92 HA ALA 92 -12.440 -1.218 -6.817 474 HB1 ALA 92 1HB ALA 92 -10.895 -3.515 -5.577 475 HB2 ALA 92 2HB ALA 92 -12.609 -3.126 -5.355 476 HB3 ALA 92 3HB ALA 92 -12.029 -3.662 -6.944 477 H LEU 93 H LEU 93 -9.093 -0.976 -5.549 478 HA LEU 93 HA LEU 93 -10.206 0.499 -3.182 479 HB2 LEU 93 2HB LEU 93 -8.294 -1.610 -3.361 480 HB3 LEU 93 3HB LEU 93 -7.395 -0.144 -2.942 481 HG LEU 93 HG LEU 93 -8.600 0.145 -0.917 482 HD11 LEU 93 1HD1 LEU 93 -10.871 -0.383 -1.434 483 HD12 LEU 93 2HD1 LEU 93 -10.360 -1.480 -0.166 484 HD13 LEU 93 3HD1 LEU 93 -10.460 -2.073 -1.844 485 HD21 LEU 93 1HD2 LEU 93 -6.812 -1.546 -0.939 486 HD22 LEU 93 2HD2 LEU 93 -8.020 -2.816 -1.270 487 HD23 LEU 93 3HD2 LEU 93 -8.066 -1.907 0.259 488 H ALA 94 H ALA 94 -9.339 1.471 -6.069 489 HA ALA 94 HA ALA 94 -7.011 2.797 -5.953 490 HB1 ALA 94 1HB ALA 94 -7.825 4.114 -7.837 491 HB2 ALA 94 2HB ALA 94 -8.589 2.515 -7.924 492 HB3 ALA 94 3HB ALA 94 -9.511 3.893 -7.324 493 H GLU 95 H GLU 95 -10.022 4.364 -4.768 494 HA GLU 95 HA GLU 95 -8.744 6.923 -4.320 495 HB2 GLU 95 2HB GLU 95 -11.372 5.656 -3.478 496 HB3 GLU 95 3HB GLU 95 -10.842 7.193 -2.803 497 HG2 GLU 95 2HG GLU 95 -12.246 7.798 -4.539 498 HG3 GLU 95 3HG GLU 95 -10.622 8.114 -5.132 499 H GLU 96 H GLU 96 -8.876 3.924 -2.414 500 HA GLU 96 HA GLU 96 -8.436 5.163 0.128 501 HB2 GLU 96 2HB GLU 96 -8.599 2.270 -0.802 502 HB3 GLU 96 3HB GLU 96 -8.904 2.956 0.756 503 HG2 GLU 96 2HG GLU 96 -10.895 4.199 -0.283 504 HG3 GLU 96 3HG GLU 96 -10.627 3.218 -1.709 505 H LEU 97 H LEU 97 -6.729 2.915 -2.169 506 HA LEU 97 HA LEU 97 -4.199 2.858 -0.971 507 HB2 LEU 97 2HB LEU 97 -5.598 1.997 -3.292 508 HB3 LEU 97 3HB LEU 97 -4.396 2.981 -3.937 509 HG LEU 97 HG LEU 97 -2.646 1.677 -2.522 510 HD11 LEU 97 1HD1 LEU 97 -5.024 -0.221 -2.366 511 HD12 LEU 97 2HD1 LEU 97 -4.255 0.580 -0.993 512 HD13 LEU 97 3HD1 LEU 97 -3.349 -0.629 -1.920 513 HD21 LEU 97 1HD2 LEU 97 -4.199 0.388 -4.798 514 HD22 LEU 97 2HD2 LEU 97 -2.622 -0.200 -4.201 515 HD23 LEU 97 3HD2 LEU 97 -2.763 1.412 -4.910 516 H GLY 98 H GLY 98 -5.494 5.085 -3.448 517 HA2 GLY 98 2HA GLY 98 -3.008 6.745 -3.357 518 HA3 GLY 98 3HA GLY 98 -3.423 5.803 -4.798 519 H GLY 99 H GLY 99 -5.959 7.120 -3.054 520 HA2 GLY 99 2HA GLY 99 -7.200 8.589 -5.161 521 HA3 GLY 99 3HA GLY 99 -7.546 8.811 -3.439 522 HA PRO 100 HA PRO 100 -5.141 12.552 -3.733 523 HB2 PRO 100 2HB PRO 100 -4.011 12.969 -1.340 524 HB3 PRO 100 3HB PRO 100 -5.761 12.563 -1.484 525 HG2 PRO 100 2HG PRO 100 -3.528 10.617 -0.876 526 HG3 PRO 100 3HG PRO 100 -5.015 10.929 0.077 527 HD2 PRO 100 2HD PRO 100 -4.877 8.965 -1.833 528 HD3 PRO 100 3HD PRO 100 -6.381 9.859 -1.485 529 H VAL 101 H VAL 101 -3.574 10.049 -4.694 530 HA VAL 101 HA VAL 101 -0.731 11.015 -4.475 531 HB VAL 101 HB VAL 101 -1.648 8.102 -4.363 532 HG11 VAL 101 1HG1 VAL 101 0.408 7.610 -3.575 533 HG12 VAL 101 2HG1 VAL 101 0.634 8.560 -5.048 534 HG13 VAL 101 3HG1 VAL 101 0.916 9.317 -3.448 535 HG21 VAL 101 1HG2 VAL 101 -2.578 9.069 -2.340 536 HG22 VAL 101 2HG2 VAL 101 -1.122 8.173 -1.928 537 HG23 VAL 101 3HG2 VAL 101 -1.064 9.948 -2.017 538 H HIS 102 H HIS 102 -0.327 11.787 -6.402 539 HA HIS 102 HA HIS 102 -1.408 10.785 -8.825 540 HB2 HIS 102 2HB HIS 102 -0.813 12.778 -9.568 541 HB3 HIS 102 3HB HIS 102 -0.099 13.088 -7.972 542 HD1 HIS 102 1HD HIS 102 1.090 13.186 -11.451 543 HD2 HIS 102 2HD HIS 102 2.357 12.111 -7.606 544 HE1 HIS 102 1HE HIS 102 3.630 13.279 -11.519 545 H ALA 103 H ALA 103 1.468 9.800 -7.099 546 HA ALA 103 HA ALA 103 1.804 7.665 -9.124 547 HB1 ALA 103 1HB ALA 103 4.246 8.861 -7.880 548 HB2 ALA 103 2HB ALA 103 4.109 7.926 -9.363 549 HB3 ALA 103 3HB ALA 103 3.570 9.622 -9.355 550 H LEU 104 H LEU 104 2.067 5.714 -8.255 551 HA LEU 104 HA LEU 104 3.396 5.338 -5.774 552 HB2 LEU 104 2HB LEU 104 1.685 4.389 -4.508 553 HB3 LEU 104 3HB LEU 104 1.194 6.002 -4.935 554 HG LEU 104 HG LEU 104 0.095 3.429 -6.141 555 HD11 LEU 104 1HD1 LEU 104 -0.985 5.364 -4.041 556 HD12 LEU 104 2HD1 LEU 104 -0.442 3.702 -3.760 557 HD13 LEU 104 3HD1 LEU 104 -1.886 3.987 -4.740 558 HD21 LEU 104 1HD2 LEU 104 -0.839 6.326 -6.434 559 HD22 LEU 104 2HD2 LEU 104 -1.762 4.895 -6.951 560 HD23 LEU 104 3HD2 LEU 104 -0.227 5.269 -7.732 561 H ALA 105 H ALA 105 3.745 3.253 -5.025 562 HA ALA 105 HA ALA 105 2.973 1.011 -6.783 563 HB1 ALA 105 1HB ALA 105 5.090 0.073 -7.032 564 HB2 ALA 105 2HB ALA 105 5.330 1.793 -7.383 565 HB3 ALA 105 3HB ALA 105 5.814 1.101 -5.805 566 H ILE 106 H ILE 106 2.523 -0.888 -5.790 567 HA ILE 106 HA ILE 106 3.088 -1.165 -2.868 568 HB ILE 106 HB ILE 106 1.257 -2.901 -2.957 569 HG12 ILE 106 2HG1 ILE 106 0.286 -1.470 -5.463 570 HG13 ILE 106 3HG1 ILE 106 1.261 -2.930 -5.568 571 HG21 ILE 106 1HG2 ILE 106 0.934 -0.711 -1.908 572 HG22 ILE 106 2HG2 ILE 106 0.459 -0.003 -3.465 573 HG23 ILE 106 3HG2 ILE 106 -0.555 -1.236 -2.691 574 HD11 ILE 106 1HD1 ILE 106 -1.434 -2.714 -4.194 575 HD12 ILE 106 2HD1 ILE 106 -1.061 -3.520 -5.724 576 HD13 ILE 106 3HD1 ILE 106 -0.383 -4.162 -4.213 577 H GLN 107 H GLN 107 4.032 -3.088 -2.154 578 HA GLN 107 HA GLN 107 4.575 -5.217 -4.209 579 HB2 GLN 107 2HB GLN 107 6.309 -4.157 -1.951 580 HB3 GLN 107 3HB GLN 107 6.591 -5.734 -2.680 581 HG2 GLN 107 2HG GLN 107 6.565 -3.211 -4.382 582 HG3 GLN 107 3HG GLN 107 7.985 -3.724 -3.486 583 HE21 GLN 107 1HE2 GLN 107 8.959 -3.778 -5.693 584 HE22 GLN 107 2HE2 GLN 107 8.861 -5.322 -6.531 585 H ALA 108 H ALA 108 3.102 -6.781 -3.786 586 HA ALA 108 HA ALA 108 2.195 -7.220 -1.078 587 HB1 ALA 108 1HB ALA 108 0.602 -8.782 -2.038 588 HB2 ALA 108 2HB ALA 108 0.587 -7.221 -2.886 589 HB3 ALA 108 3HB ALA 108 1.394 -8.630 -3.624 590 H ARG 109 H ARG 109 2.635 -8.830 0.315 591 HA ARG 109 HA ARG 109 3.725 -11.401 -0.618 592 HB2 ARG 109 2HB ARG 109 5.395 -9.433 0.844 593 HB3 ARG 109 3HB ARG 109 5.455 -11.016 1.524 594 HG2 ARG 109 2HG ARG 109 7.030 -11.530 -0.001 595 HG3 ARG 109 3HG ARG 109 5.801 -11.433 -1.259 596 HD2 ARG 109 2HD ARG 109 7.486 -9.997 -1.995 597 HD3 ARG 109 3HD ARG 109 6.276 -8.899 -1.316 598 HE ARG 109 HE ARG 109 8.701 -9.817 0.225 599 HH11 ARG 109 1HH1 ARG 109 6.809 -7.096 -0.925 600 HH12 ARG 109 2HH1 ARG 109 7.982 -5.927 -0.366 601 HH21 ARG 109 1HH2 ARG 109 10.030 -8.271 1.123 602 HH22 ARG 109 2HH2 ARG 109 9.742 -6.587 0.777 603 H THR 110 H THR 110 4.195 -12.898 1.336 604 HA THR 110 HA THR 110 1.883 -12.672 3.193 605 HB THR 110 HB THR 110 1.804 -15.186 3.059 606 HG1 THR 110 1HG THR 110 3.099 -14.827 0.589 607 HG21 THR 110 1HG2 THR 110 1.206 -13.444 0.639 608 HG22 THR 110 2HG2 THR 110 0.116 -13.917 1.954 609 HG23 THR 110 3HG2 THR 110 0.661 -15.137 0.792 610 HA PRO 111 HA PRO 111 4.259 -12.646 6.547 611 HB2 PRO 111 2HB PRO 111 2.852 -14.944 7.884 612 HB3 PRO 111 3HB PRO 111 3.192 -13.307 8.510 613 HG2 PRO 111 2HG PRO 111 0.718 -13.909 7.525 614 HG3 PRO 111 3HG PRO 111 1.484 -12.353 7.073 615 HD2 PRO 111 2HD PRO 111 1.374 -14.913 5.457 616 HD3 PRO 111 3HD PRO 111 1.061 -13.240 4.954 617 H ALA 112 H ALA 112 3.908 -16.285 6.226 618 HA ALA 112 HA ALA 112 6.244 -16.798 7.600 619 HB1 ALA 112 1HB ALA 112 6.115 -19.055 6.600 620 HB2 ALA 112 2HB ALA 112 4.519 -18.459 7.073 621 HB3 ALA 112 3HB ALA 112 4.993 -18.454 5.361 622 H GLN 113 H GLN 113 6.143 -15.961 4.120 623 HA GLN 113 HA GLN 113 9.048 -16.390 3.785 624 HB2 GLN 113 2HB GLN 113 8.715 -15.389 1.604 625 HB3 GLN 113 3HB GLN 113 7.686 -16.785 1.885 626 HG2 GLN 113 2HG GLN 113 5.766 -15.284 2.324 627 HG3 GLN 113 3HG GLN 113 6.802 -13.878 2.080 628 HE21 GLN 113 1HE2 GLN 113 5.516 -16.831 0.384 629 HE22 GLN 113 2HE2 GLN 113 5.642 -16.109 -1.210 630 H TRP 114 H TRP 114 6.864 -13.552 4.416 631 HA TRP 114 HA TRP 114 8.949 -11.574 4.385 632 HB2 TRP 114 2HB TRP 114 6.669 -10.965 4.300 633 HB3 TRP 114 3HB TRP 114 6.382 -11.638 5.908 634 HD1 TRP 114 HD1 TRP 114 6.913 -10.180 7.910 635 HE1 TRP 114 HE1 TRP 114 7.913 -7.925 8.406 636 HE3 TRP 114 HE3 TRP 114 7.801 -8.827 3.144 637 HZ2 TRP 114 HZ2 TRP 114 8.366 -5.539 6.853 638 HZ3 TRP 114 HZ3 TRP 114 7.856 -6.416 2.694 639 HH2 TRP 114 HH2 TRP 114 8.298 -4.754 4.481 640 H ARG 115 H ARG 115 7.830 -13.656 7.025 641 HA ARG 115 HA ARG 115 9.543 -12.340 8.983 642 HB2 ARG 115 2HB ARG 115 8.816 -15.071 9.785 643 HB3 ARG 115 3HB ARG 115 8.655 -13.534 10.618 644 HG2 ARG 115 2HG ARG 115 6.610 -13.204 8.961 645 HG3 ARG 115 3HG ARG 115 6.789 -14.961 8.802 646 HD2 ARG 115 2HD ARG 115 5.977 -13.362 11.212 647 HD3 ARG 115 3HD ARG 115 5.082 -14.595 10.362 648 HE ARG 115 HE ARG 115 6.545 -16.333 11.269 649 HH11 ARG 115 1HH1 ARG 115 6.370 -13.356 13.234 650 HH12 ARG 115 2HH1 ARG 115 7.416 -14.103 14.423 651 HH21 ARG 115 1HH2 ARG 115 7.910 -17.045 12.949 652 HH22 ARG 115 2HH2 ARG 115 8.087 -15.972 14.337 653 H GLU 116 H GLU 116 10.048 -15.105 6.930 654 HA GLU 116 HA GLU 116 12.542 -15.881 8.257 655 HB2 GLU 116 2HB GLU 116 10.841 -17.472 7.431 656 HB3 GLU 116 3HB GLU 116 11.192 -16.990 5.768 657 HG2 GLU 116 2HG GLU 116 13.431 -17.893 5.912 658 HG3 GLU 116 3HG GLU 116 13.306 -18.073 7.668 659 H ASN 117 H ASN 117 11.698 -14.520 5.028 660 HA ASN 117 HA ASN 117 14.588 -13.873 4.582 661 HB2 ASN 117 2HB ASN 117 13.960 -16.152 3.733 662 HB3 ASN 117 3HB ASN 117 12.736 -15.395 2.717 663 HD21 ASN 117 1HD2 ASN 117 13.561 -15.908 0.719 664 HD22 ASN 117 2HD2 ASN 117 15.061 -15.175 0.120 665 H SER 118 H SER 118 11.489 -12.550 4.464 666 HA SER 118 HA SER 118 10.498 -10.767 3.495 667 HB2 SER 118 2HB SER 118 12.592 -9.558 3.930 668 HB3 SER 118 3HB SER 118 13.092 -9.897 2.258 669 HG SER 118 HG SER 118 11.973 -7.861 2.647 Start of MODEL 10 1 HA PRO 31 HA PRO 31 -1.152 12.701 6.741 2 HB2 PRO 31 2HB PRO 31 0.679 10.832 8.253 3 HB3 PRO 31 3HB PRO 31 1.105 12.278 7.280 4 HG2 PRO 31 2HG PRO 31 1.085 12.429 9.967 5 HG3 PRO 31 3HG PRO 31 0.334 13.748 9.008 6 HD2 PRO 31 2HD PRO 31 -1.005 11.400 10.367 7 HD3 PRO 31 3HD PRO 31 -1.488 13.125 10.386 8 H VAL 32 H VAL 32 -0.663 11.223 4.941 9 HA VAL 32 HA VAL 32 -2.783 9.363 4.631 10 HB VAL 32 HB VAL 32 -1.901 8.749 2.498 11 HG11 VAL 32 1HG1 VAL 32 -1.778 10.880 1.417 12 HG12 VAL 32 2HG1 VAL 32 -2.896 11.029 2.795 13 HG13 VAL 32 3HG1 VAL 32 -1.242 11.669 2.901 14 HG21 VAL 32 1HG2 VAL 32 0.713 10.089 3.292 15 HG22 VAL 32 2HG2 VAL 32 0.463 8.374 2.906 16 HG23 VAL 32 3HG2 VAL 32 0.279 9.587 1.641 17 H GLU 33 H GLU 33 0.420 8.761 5.850 18 HA GLU 33 HA GLU 33 0.339 5.905 5.238 19 HB2 GLU 33 2HB GLU 33 2.572 5.898 5.675 20 HB3 GLU 33 3HB GLU 33 2.377 7.591 5.297 21 HG2 GLU 33 2HG GLU 33 2.060 7.679 8.015 22 HG3 GLU 33 3HG GLU 33 3.043 6.216 7.801 23 H ALA 34 H ALA 34 -0.249 7.983 7.977 24 HA ALA 34 HA ALA 34 -0.686 5.847 9.911 25 HB1 ALA 34 1HB ALA 34 -1.177 7.676 11.369 26 HB2 ALA 34 2HB ALA 34 0.204 8.140 10.387 27 HB3 ALA 34 3HB ALA 34 -1.394 8.803 10.002 28 H ALA 35 H ALA 35 -2.682 7.928 7.826 29 HA ALA 35 HA ALA 35 -5.278 6.956 8.548 30 HB1 ALA 35 1HB ALA 35 -4.219 8.036 5.899 31 HB2 ALA 35 2HB ALA 35 -5.923 7.876 6.357 32 HB3 ALA 35 3HB ALA 35 -4.878 9.009 7.234 33 H ILE 36 H ILE 36 -3.044 5.872 5.862 34 HA ILE 36 HA ILE 36 -4.610 3.584 5.247 35 HB ILE 36 HB ILE 36 -1.772 4.371 4.695 36 HG12 ILE 36 2HG1 ILE 36 -4.187 3.615 2.985 37 HG13 ILE 36 3HG1 ILE 36 -3.706 5.259 3.411 38 HG21 ILE 36 1HG2 ILE 36 -1.295 2.327 3.439 39 HG22 ILE 36 2HG2 ILE 36 -1.515 1.956 5.125 40 HG23 ILE 36 3HG2 ILE 36 -2.830 1.613 3.975 41 HD11 ILE 36 1HD1 ILE 36 -1.595 4.972 2.168 42 HD12 ILE 36 2HD1 ILE 36 -2.104 3.329 1.688 43 HD13 ILE 36 3HD1 ILE 36 -3.021 4.740 1.135 44 H ARG 37 H ARG 37 -1.824 3.794 7.540 45 HA ARG 37 HA ARG 37 -1.690 1.170 8.487 46 HB2 ARG 37 2HB ARG 37 -1.438 3.793 9.882 47 HB3 ARG 37 3HB ARG 37 -1.348 2.289 10.793 48 HG2 ARG 37 2HG ARG 37 0.484 1.466 9.461 49 HG3 ARG 37 3HG ARG 37 0.295 2.777 8.290 50 HD2 ARG 37 2HD ARG 37 0.893 4.411 10.081 51 HD3 ARG 37 3HD ARG 37 0.978 3.029 11.197 52 HE ARG 37 HE ARG 37 2.866 2.246 9.494 53 HH11 ARG 37 1HH1 ARG 37 2.561 5.435 10.937 54 HH12 ARG 37 2HH1 ARG 37 4.261 5.752 10.674 55 HH21 ARG 37 1HH2 ARG 37 4.975 2.791 9.151 56 HH22 ARG 37 2HH2 ARG 37 5.484 4.423 9.440 57 H THR 38 H THR 38 -3.855 3.618 9.721 58 HA THR 38 HA THR 38 -5.387 1.851 11.399 59 HB THR 38 HB THR 38 -6.181 4.606 10.377 60 HG1 THR 38 1HG THR 38 -4.320 4.916 11.302 61 HG21 THR 38 1HG2 THR 38 -6.914 3.103 12.931 62 HG22 THR 38 2HG2 THR 38 -8.030 3.506 11.601 63 HG23 THR 38 3HG2 THR 38 -7.308 4.795 12.573 64 H LYS 39 H LYS 39 -6.354 3.348 8.262 65 HA LYS 39 HA LYS 39 -8.952 2.153 8.209 66 HB2 LYS 39 2HB LYS 39 -8.251 4.189 6.947 67 HB3 LYS 39 3HB LYS 39 -7.215 3.191 5.933 68 HG2 LYS 39 2HG LYS 39 -9.166 3.655 4.702 69 HG3 LYS 39 3HG LYS 39 -9.258 1.953 5.125 70 HD2 LYS 39 2HD LYS 39 -10.932 2.440 6.872 71 HD3 LYS 39 3HD LYS 39 -10.738 4.191 6.594 72 HE2 LYS 39 2HE LYS 39 -11.429 3.834 4.207 73 HE3 LYS 39 3HE LYS 39 -11.739 2.136 4.572 74 HZ1 LYS 39 1HZ LYS 39 -13.727 3.574 4.608 75 HZ2 LYS 39 2HZ LYS 39 -13.169 4.417 5.853 76 HZ3 LYS 39 3HZ LYS 39 -13.510 2.804 6.042 77 H LEU 40 H LEU 40 -5.829 1.031 6.698 78 HA LEU 40 HA LEU 40 -7.135 -1.317 5.664 79 HB2 LEU 40 2HB LEU 40 -4.237 -0.481 5.885 80 HB3 LEU 40 3HB LEU 40 -4.708 -2.048 5.297 81 HG LEU 40 HG LEU 40 -4.213 -0.411 3.546 82 HD11 LEU 40 1HD1 LEU 40 -6.170 -0.978 2.096 83 HD12 LEU 40 2HD1 LEU 40 -7.061 -1.509 3.537 84 HD13 LEU 40 3HD1 LEU 40 -5.594 -2.355 3.041 85 HD21 LEU 40 1HD2 LEU 40 -5.716 1.298 2.810 86 HD22 LEU 40 2HD2 LEU 40 -5.186 1.650 4.450 87 HD23 LEU 40 3HD2 LEU 40 -6.820 0.994 4.158 88 H GLU 41 H GLU 41 -5.375 -0.725 8.816 89 HA GLU 41 HA GLU 41 -5.606 -3.350 9.769 90 HB2 GLU 41 2HB GLU 41 -4.923 -1.040 10.939 91 HB3 GLU 41 3HB GLU 41 -6.571 -1.057 11.479 92 HG2 GLU 41 2HG GLU 41 -5.558 -3.691 11.879 93 HG3 GLU 41 3HG GLU 41 -4.293 -2.595 12.426 94 H GLU 42 H GLU 42 -8.157 -0.821 9.684 95 HA GLU 42 HA GLU 42 -10.226 -2.578 10.665 96 HB2 GLU 42 2HB GLU 42 -10.855 -0.502 11.049 97 HB3 GLU 42 3HB GLU 42 -9.984 0.190 9.680 98 HG2 GLU 42 2HG GLU 42 -11.719 -0.351 8.171 99 HG3 GLU 42 3HG GLU 42 -12.634 -1.263 9.405 100 H ALA 43 H ALA 43 -9.204 -1.860 7.328 101 HA ALA 43 HA ALA 43 -11.443 -3.112 6.101 102 HB1 ALA 43 1HB ALA 43 -9.995 -1.357 5.078 103 HB2 ALA 43 2HB ALA 43 -8.698 -2.571 4.929 104 HB3 ALA 43 3HB ALA 43 -10.214 -2.779 4.039 105 H LEU 44 H LEU 44 -8.096 -4.435 6.652 106 HA LEU 44 HA LEU 44 -9.216 -7.114 6.066 107 HB2 LEU 44 2HB LEU 44 -7.402 -7.752 4.787 108 HB3 LEU 44 3HB LEU 44 -8.085 -6.325 4.044 109 HG LEU 44 HG LEU 44 -5.764 -5.961 5.951 110 HD11 LEU 44 1HD1 LEU 44 -5.062 -7.927 4.679 111 HD12 LEU 44 2HD1 LEU 44 -4.125 -6.500 4.208 112 HD13 LEU 44 3HD1 LEU 44 -5.438 -7.097 3.155 113 HD21 LEU 44 1HD2 LEU 44 -5.143 -4.250 4.339 114 HD22 LEU 44 2HD2 LEU 44 -6.857 -4.074 4.781 115 HD23 LEU 44 3HD2 LEU 44 -6.426 -4.794 3.224 116 H SER 45 H SER 45 -7.624 -5.390 8.433 117 HA SER 45 HA SER 45 -6.203 -5.875 10.145 118 HB2 SER 45 2HB SER 45 -6.645 -7.964 11.365 119 HB3 SER 45 3HB SER 45 -8.019 -6.898 11.103 120 HG SER 45 HG SER 45 -8.804 -8.276 9.527 121 HA PRO 46 HA PRO 46 -3.172 -7.756 7.111 122 HB2 PRO 46 2HB PRO 46 -1.553 -5.595 8.420 123 HB3 PRO 46 3HB PRO 46 -1.533 -6.032 6.747 124 HG2 PRO 46 2HG PRO 46 -2.876 -3.841 7.493 125 HG3 PRO 46 3HG PRO 46 -3.671 -4.978 6.353 126 HD2 PRO 46 2HD PRO 46 -4.026 -4.746 9.353 127 HD3 PRO 46 3HD PRO 46 -5.267 -4.910 8.074 128 H GLU 47 H GLU 47 -0.982 -8.792 7.392 129 HA GLU 47 HA GLU 47 -0.124 -9.279 10.155 130 HB2 GLU 47 2HB GLU 47 0.049 -10.793 7.839 131 HB3 GLU 47 3HB GLU 47 1.630 -10.036 7.950 132 HG2 GLU 47 2HG GLU 47 1.842 -12.009 9.055 133 HG3 GLU 47 3HG GLU 47 1.803 -10.799 10.324 134 H VAL 48 H VAL 48 1.121 -7.411 7.251 135 HA VAL 48 HA VAL 48 2.155 -5.517 9.313 136 HB VAL 48 HB VAL 48 4.104 -5.071 7.987 137 HG11 VAL 48 1HG1 VAL 48 4.232 -8.025 8.463 138 HG12 VAL 48 2HG1 VAL 48 5.506 -6.769 8.350 139 HG13 VAL 48 3HG1 VAL 48 4.386 -6.746 9.737 140 HG21 VAL 48 1HG2 VAL 48 4.001 -5.562 5.810 141 HG22 VAL 48 2HG2 VAL 48 4.617 -7.161 6.311 142 HG23 VAL 48 3HG2 VAL 48 2.869 -6.891 6.130 143 H LEU 49 H LEU 49 2.546 -3.450 8.458 144 HA LEU 49 HA LEU 49 2.783 -3.434 5.723 145 HB2 LEU 49 2HB LEU 49 1.363 -1.187 5.373 146 HB3 LEU 49 3HB LEU 49 0.714 -2.803 5.138 147 HG LEU 49 HG LEU 49 -0.362 -2.760 7.370 148 HD11 LEU 49 1HD1 LEU 49 0.545 0.138 7.448 149 HD12 LEU 49 2HD1 LEU 49 1.011 -1.140 8.593 150 HD13 LEU 49 3HD1 LEU 49 -0.661 -0.625 8.522 151 HD21 LEU 49 1HD2 LEU 49 -1.083 -0.537 5.444 152 HD22 LEU 49 2HD2 LEU 49 -2.135 -1.225 6.711 153 HD23 LEU 49 3HD2 LEU 49 -1.566 -2.257 5.388 154 H GLU 50 H GLU 50 4.613 -2.480 5.317 155 HA GLU 50 HA GLU 50 5.561 -0.316 7.165 156 HB2 GLU 50 2HB GLU 50 7.322 -2.365 5.863 157 HB3 GLU 50 3HB GLU 50 7.781 -1.083 6.945 158 HG2 GLU 50 2HG GLU 50 5.927 -2.283 8.522 159 HG3 GLU 50 3HG GLU 50 6.417 -3.688 7.597 160 H LEU 51 H LEU 51 5.947 1.462 6.255 161 HA LEU 51 HA LEU 51 6.123 1.731 3.324 162 HB2 LEU 51 2HB LEU 51 3.950 2.479 2.998 163 HB3 LEU 51 3HB LEU 51 3.790 1.075 4.043 164 HG LEU 51 HG LEU 51 3.539 3.948 4.720 165 HD11 LEU 51 1HD1 LEU 51 1.496 1.717 5.078 166 HD12 LEU 51 2HD1 LEU 51 1.524 2.852 3.719 167 HD13 LEU 51 3HD1 LEU 51 1.224 3.459 5.352 168 HD21 LEU 51 1HD2 LEU 51 2.826 3.264 7.045 169 HD22 LEU 51 2HD2 LEU 51 4.532 2.993 6.712 170 HD23 LEU 51 3HD2 LEU 51 3.409 1.618 6.667 171 H ARG 52 H ARG 52 6.129 3.979 2.533 172 HA ARG 52 HA ARG 52 7.074 6.059 4.373 173 HB2 ARG 52 2HB ARG 52 9.047 4.535 4.028 174 HB3 ARG 52 3HB ARG 52 8.937 4.831 2.287 175 HG2 ARG 52 2HG ARG 52 9.345 7.241 2.669 176 HG3 ARG 52 3HG ARG 52 9.349 6.977 4.421 177 HD2 ARG 52 2HD ARG 52 11.340 5.544 4.207 178 HD3 ARG 52 3HD ARG 52 11.332 5.769 2.445 179 HE ARG 52 HE ARG 52 11.349 8.283 3.944 180 HH11 ARG 52 1HH1 ARG 52 13.617 5.859 2.682 181 HH12 ARG 52 2HH1 ARG 52 14.878 7.060 2.580 182 HH21 ARG 52 1HH2 ARG 52 13.065 9.691 3.733 183 HH22 ARG 52 2HH2 ARG 52 14.537 9.087 3.006 184 H ASN 53 H ASN 53 6.725 8.089 3.409 185 HA ASN 53 HA ASN 53 5.564 8.015 0.712 186 HB2 ASN 53 2HB ASN 53 4.471 9.858 1.143 187 HB3 ASN 53 3HB ASN 53 4.780 9.373 2.794 188 HD21 ASN 53 1HD2 ASN 53 4.467 11.657 3.461 189 HD22 ASN 53 2HD2 ASN 53 5.657 12.861 2.960 190 H GLU 54 H GLU 54 6.317 8.849 -1.136 191 HA GLU 54 HA GLU 54 9.272 9.193 -1.267 192 HB2 GLU 54 2HB GLU 54 8.037 7.509 -2.697 193 HB3 GLU 54 3HB GLU 54 7.311 8.882 -3.548 194 HG2 GLU 54 2HG GLU 54 9.628 9.706 -4.059 195 HG3 GLU 54 3HG GLU 54 10.294 8.315 -3.219 196 H SER 55 H SER 55 6.298 10.857 -1.590 197 HA SER 55 HA SER 55 6.760 13.169 -3.018 198 HB2 SER 55 2HB SER 55 4.742 12.020 -2.184 199 HB3 SER 55 3HB SER 55 4.995 12.779 -0.594 200 HG SER 55 HG SER 55 4.686 14.767 -1.569 201 H GLY 56 H GLY 56 8.336 12.569 -0.015 202 HA2 GLY 56 2HA GLY 56 8.939 15.350 0.638 203 HA3 GLY 56 3HA GLY 56 9.904 13.916 1.014 204 H GLY 57 H GLY 57 9.896 13.229 -1.967 205 HA2 GLY 57 2HA GLY 57 12.007 15.020 -3.053 206 HA3 GLY 57 3HA GLY 57 11.506 13.453 -3.668 207 H HIS 58 H HIS 58 11.325 14.448 -5.746 208 HA HIS 58 HA HIS 58 10.160 15.138 -7.530 209 HB2 HIS 58 2HB HIS 58 7.765 14.658 -5.724 210 HB3 HIS 58 3HB HIS 58 7.712 14.771 -7.480 211 HD1 HIS 58 1HD HIS 58 9.372 12.921 -8.777 212 HD2 HIS 58 2HD HIS 58 8.316 12.285 -4.759 213 HE1 HIS 58 1HE HIS 58 9.977 10.479 -8.245 214 H ALA 59 H ALA 59 8.535 16.545 -8.598 215 HA ALA 59 HA ALA 59 8.910 19.293 -7.694 216 HB1 ALA 59 1HB ALA 59 9.343 18.642 -10.028 217 HB2 ALA 59 2HB ALA 59 7.622 18.237 -10.230 218 HB3 ALA 59 3HB ALA 59 8.111 19.909 -9.892 219 H VAL 60 H VAL 60 7.485 18.291 -5.781 220 HA VAL 60 HA VAL 60 4.585 18.860 -6.240 221 HB VAL 60 HB VAL 60 4.097 17.281 -4.437 222 HG11 VAL 60 1HG1 VAL 60 4.090 16.398 -6.689 223 HG12 VAL 60 2HG1 VAL 60 5.841 16.111 -6.644 224 HG13 VAL 60 3HG1 VAL 60 4.760 15.187 -5.594 225 HG21 VAL 60 1HG2 VAL 60 7.091 16.777 -4.388 226 HG22 VAL 60 2HG2 VAL 60 6.105 17.430 -3.065 227 HG23 VAL 60 3HG2 VAL 60 5.879 15.764 -3.598 228 HA PRO 61 HA PRO 61 4.663 22.003 -3.160 229 HB2 PRO 61 2HB PRO 61 2.184 20.813 -1.941 230 HB3 PRO 61 3HB PRO 61 2.499 22.498 -2.466 231 HG2 PRO 61 2HG PRO 61 0.992 20.835 -3.978 232 HG3 PRO 61 3HG PRO 61 2.195 21.918 -4.761 233 HD2 PRO 61 2HD PRO 61 2.474 18.983 -4.050 234 HD3 PRO 61 3HD PRO 61 2.871 19.820 -5.580 235 HA PRO 62 HA PRO 62 6.699 20.184 0.329 236 HB2 PRO 62 2HB PRO 62 6.693 22.223 2.188 237 HB3 PRO 62 3HB PRO 62 7.718 22.211 0.726 238 HG2 PRO 62 2HG PRO 62 5.052 23.585 1.097 239 HG3 PRO 62 3HG PRO 62 6.574 24.239 0.399 240 HD2 PRO 62 2HD PRO 62 4.572 23.313 -1.179 241 HD3 PRO 62 3HD PRO 62 6.289 23.024 -1.606 242 H GLY 63 H GLY 63 6.061 18.783 1.837 243 HA2 GLY 63 2HA GLY 63 4.869 17.874 3.630 244 HA3 GLY 63 3HA GLY 63 3.835 19.298 3.697 245 H SER 64 H SER 64 3.786 18.337 0.452 246 HA SER 64 HA SER 64 1.247 16.946 0.722 247 HB2 SER 64 2HB SER 64 1.680 18.489 -1.172 248 HB3 SER 64 3HB SER 64 2.926 17.369 -1.775 249 HG SER 64 HG SER 64 0.655 17.141 -2.617 250 H GLU 65 H GLU 65 0.877 14.932 0.029 251 HA GLU 65 HA GLU 65 3.052 12.900 0.131 252 HB2 GLU 65 2HB GLU 65 0.399 12.654 1.563 253 HB3 GLU 65 3HB GLU 65 1.789 11.546 1.617 254 HG2 GLU 65 2HG GLU 65 3.137 13.499 2.583 255 HG3 GLU 65 3HG GLU 65 1.607 14.359 2.767 256 H THR 66 H THR 66 2.085 13.837 -2.309 257 HA THR 66 HA THR 66 -0.215 12.331 -3.261 258 HB THR 66 HB THR 66 -0.028 14.459 -4.212 259 HG1 THR 66 1HG THR 66 0.413 14.073 -6.355 260 HG21 THR 66 1HG2 THR 66 2.007 15.290 -5.406 261 HG22 THR 66 2HG2 THR 66 2.911 13.877 -4.822 262 HG23 THR 66 3HG2 THR 66 2.301 15.102 -3.683 263 H HIS 67 H HIS 67 3.127 11.864 -2.935 264 HA HIS 67 HA HIS 67 3.264 9.525 -4.774 265 HB2 HIS 67 2HB HIS 67 4.874 11.897 -4.441 266 HB3 HIS 67 3HB HIS 67 5.816 10.548 -3.902 267 HD1 HIS 67 1HD HIS 67 7.190 9.594 -6.076 268 HD2 HIS 67 2HD HIS 67 3.349 11.179 -6.763 269 HE1 HIS 67 1HE HIS 67 6.873 9.550 -8.582 270 H PHE 68 H PHE 68 3.323 7.600 -3.785 271 HA PHE 68 HA PHE 68 4.414 7.412 -1.000 272 HB2 PHE 68 2HB PHE 68 1.842 7.599 -1.476 273 HB3 PHE 68 3HB PHE 68 1.979 5.971 -2.033 274 HD1 PHE 68 1HD PHE 68 3.443 7.789 0.955 275 HD2 PHE 68 2HD PHE 68 0.871 4.648 -0.474 276 HE1 PHE 68 1HE PHE 68 3.113 6.995 3.313 277 HE2 PHE 68 2HE PHE 68 0.468 3.935 1.865 278 HZ PHE 68 HZ PHE 68 1.586 5.119 3.729 279 H ARG 69 H ARG 69 5.064 5.312 -0.188 280 HA ARG 69 HA ARG 69 5.541 3.166 -2.186 281 HB2 ARG 69 2HB ARG 69 7.538 4.941 -1.272 282 HB3 ARG 69 3HB ARG 69 7.730 3.557 -0.225 283 HG2 ARG 69 2HG ARG 69 7.821 3.622 -3.268 284 HG3 ARG 69 3HG ARG 69 9.181 3.417 -2.176 285 HD2 ARG 69 2HD ARG 69 6.963 1.415 -2.741 286 HD3 ARG 69 3HD ARG 69 8.672 1.316 -3.171 287 HE ARG 69 HE ARG 69 8.353 1.540 -0.306 288 HH11 ARG 69 1HH1 ARG 69 8.409 -0.849 -2.909 289 HH12 ARG 69 2HH1 ARG 69 8.601 -2.154 -1.760 290 HH21 ARG 69 1HH2 ARG 69 8.681 -0.091 0.990 291 HH22 ARG 69 2HH2 ARG 69 8.929 -1.729 0.382 292 H VAL 70 H VAL 70 4.927 1.206 -1.365 293 HA VAL 70 HA VAL 70 4.610 0.892 1.589 294 HB VAL 70 HB VAL 70 2.450 -0.200 -0.181 295 HG11 VAL 70 1HG1 VAL 70 2.178 1.082 2.531 296 HG12 VAL 70 2HG1 VAL 70 1.117 -0.061 1.755 297 HG13 VAL 70 3HG1 VAL 70 2.699 -0.601 2.389 298 HG21 VAL 70 1HG2 VAL 70 2.417 2.092 -0.966 299 HG22 VAL 70 2HG2 VAL 70 1.066 1.844 0.146 300 HG23 VAL 70 3HG2 VAL 70 2.533 2.693 0.702 301 H ALA 71 H ALA 71 5.121 -0.949 2.415 302 HA ALA 71 HA ALA 71 5.128 -3.407 0.674 303 HB1 ALA 71 1HB ALA 71 7.317 -2.768 1.837 304 HB2 ALA 71 2HB ALA 71 6.513 -3.114 3.376 305 HB3 ALA 71 3HB ALA 71 6.702 -4.395 2.147 306 H VAL 72 H VAL 72 3.464 -4.867 1.095 307 HA VAL 72 HA VAL 72 2.009 -4.569 3.682 308 HB VAL 72 HB VAL 72 -0.162 -4.538 2.736 309 HG11 VAL 72 1HG1 VAL 72 1.390 -2.390 1.274 310 HG12 VAL 72 2HG1 VAL 72 -0.283 -2.310 1.871 311 HG13 VAL 72 3HG1 VAL 72 1.069 -2.347 3.015 312 HG21 VAL 72 1HG2 VAL 72 1.091 -4.423 -0.033 313 HG22 VAL 72 2HG2 VAL 72 0.064 -5.720 0.621 314 HG23 VAL 72 3HG2 VAL 72 -0.623 -4.125 0.335 315 H VAL 73 H VAL 73 1.338 -6.436 4.592 316 HA VAL 73 HA VAL 73 1.485 -8.866 2.911 317 HB VAL 73 HB VAL 73 3.573 -8.028 4.555 318 HG11 VAL 73 1HG1 VAL 73 2.340 -10.540 5.696 319 HG12 VAL 73 2HG1 VAL 73 4.008 -9.998 5.973 320 HG13 VAL 73 3HG1 VAL 73 2.699 -8.998 6.527 321 HG21 VAL 73 1HG2 VAL 73 4.784 -9.729 3.579 322 HG22 VAL 73 2HG2 VAL 73 3.337 -10.723 3.343 323 HG23 VAL 73 3HG2 VAL 73 3.595 -9.214 2.413 324 H SER 74 H SER 74 0.072 -10.264 3.178 325 HA SER 74 HA SER 74 -1.370 -10.830 5.649 326 HB2 SER 74 2HB SER 74 -2.611 -8.826 4.919 327 HB3 SER 74 3HB SER 74 -2.769 -9.502 3.285 328 HG SER 74 HG SER 74 -3.978 -10.354 5.703 329 H SER 75 H SER 75 -2.370 -12.890 5.490 330 HA SER 75 HA SER 75 -1.821 -14.638 3.279 331 HB2 SER 75 2HB SER 75 -3.426 -16.160 4.365 332 HB3 SER 75 3HB SER 75 -2.245 -15.488 5.502 333 HG SER 75 HG SER 75 -4.035 -15.196 6.549 334 H ARG 76 H ARG 76 -4.217 -12.157 3.564 335 HA ARG 76 HA ARG 76 -6.195 -13.148 1.698 336 HB2 ARG 76 2HB ARG 76 -5.400 -10.337 2.493 337 HB3 ARG 76 3HB ARG 76 -6.744 -10.765 1.441 338 HG2 ARG 76 2HG ARG 76 -7.558 -12.339 3.352 339 HG3 ARG 76 3HG ARG 76 -6.350 -11.535 4.368 340 HD2 ARG 76 2HD ARG 76 -7.495 -9.338 3.589 341 HD3 ARG 76 3HD ARG 76 -8.801 -10.381 3.033 342 HE ARG 76 HE ARG 76 -7.888 -10.738 5.841 343 HH11 ARG 76 1HH1 ARG 76 -10.439 -9.212 3.904 344 HH12 ARG 76 2HH1 ARG 76 -11.434 -9.060 5.340 345 HH21 ARG 76 1HH2 ARG 76 -9.225 -10.440 7.489 346 HH22 ARG 76 2HH2 ARG 76 -10.797 -9.681 7.231 347 H PHE 77 H PHE 77 -3.009 -11.885 1.175 348 HA PHE 77 HA PHE 77 -3.436 -11.350 -1.673 349 HB2 PHE 77 2HB PHE 77 -0.950 -11.061 0.025 350 HB3 PHE 77 3HB PHE 77 -1.262 -10.334 -1.535 351 HD1 PHE 77 1HD PHE 77 -0.368 -8.992 1.087 352 HD2 PHE 77 2HD PHE 77 -4.242 -9.409 -0.766 353 HE1 PHE 77 1HE PHE 77 -1.137 -6.941 2.233 354 HE2 PHE 77 2HE PHE 77 -5.017 -7.387 0.422 355 HZ PHE 77 HZ PHE 77 -3.466 -6.118 1.884 356 H GLU 78 H GLU 78 -3.258 -14.231 -0.367 357 HA GLU 78 HA GLU 78 -0.969 -15.322 -1.711 358 HB2 GLU 78 2HB GLU 78 -1.545 -17.344 -0.683 359 HB3 GLU 78 3HB GLU 78 -1.928 -16.098 0.500 360 HG2 GLU 78 2HG GLU 78 -4.350 -16.265 -0.184 361 HG3 GLU 78 3HG GLU 78 -3.906 -17.509 -1.351 362 H GLY 79 H GLY 79 -0.852 -16.863 -3.326 363 HA2 GLY 79 2HA GLY 79 -1.443 -18.467 -4.826 364 HA3 GLY 79 3HA GLY 79 -3.143 -18.212 -4.429 365 H LEU 80 H LEU 80 -3.228 -15.443 -5.156 366 HA LEU 80 HA LEU 80 -3.343 -15.416 -8.045 367 HB2 LEU 80 2HB LEU 80 -3.805 -12.953 -7.542 368 HB3 LEU 80 3HB LEU 80 -4.973 -14.150 -7.044 369 HG LEU 80 HG LEU 80 -4.359 -13.842 -4.854 370 HD11 LEU 80 1HD1 LEU 80 -2.042 -12.184 -5.828 371 HD12 LEU 80 2HD1 LEU 80 -2.044 -13.539 -4.682 372 HD13 LEU 80 3HD1 LEU 80 -2.685 -11.969 -4.184 373 HD21 LEU 80 1HD2 LEU 80 -4.601 -11.128 -6.123 374 HD22 LEU 80 2HD2 LEU 80 -4.950 -11.529 -4.418 375 HD23 LEU 80 3HD2 LEU 80 -5.926 -12.238 -5.715 376 H SER 81 H SER 81 -2.124 -14.082 -9.441 377 HA SER 81 HA SER 81 0.719 -13.988 -8.937 378 HB2 SER 81 2HB SER 81 0.530 -14.144 -11.167 379 HB3 SER 81 3HB SER 81 -1.094 -13.458 -11.190 380 HG SER 81 HG SER 81 1.128 -12.290 -11.946 381 HA PRO 82 HA PRO 82 1.021 -9.988 -6.942 382 HB2 PRO 82 2HB PRO 82 3.412 -9.487 -8.681 383 HB3 PRO 82 3HB PRO 82 3.259 -9.358 -6.901 384 HG2 PRO 82 2HG PRO 82 4.547 -11.434 -8.067 385 HG3 PRO 82 3HG PRO 82 3.472 -11.721 -6.657 386 HD2 PRO 82 2HD PRO 82 2.862 -12.138 -9.588 387 HD3 PRO 82 3HD PRO 82 2.513 -13.194 -8.182 388 H LEU 83 H LEU 83 1.565 -10.168 -10.453 389 HA LEU 83 HA LEU 83 0.901 -7.473 -11.148 390 HB2 LEU 83 2HB LEU 83 2.144 -9.524 -12.359 391 HB3 LEU 83 3HB LEU 83 0.547 -9.829 -13.022 392 HG LEU 83 HG LEU 83 2.201 -7.281 -13.295 393 HD11 LEU 83 1HD1 LEU 83 2.425 -7.961 -15.642 394 HD12 LEU 83 2HD1 LEU 83 1.483 -9.436 -15.324 395 HD13 LEU 83 3HD1 LEU 83 3.075 -9.203 -14.566 396 HD21 LEU 83 1HD2 LEU 83 -0.471 -8.019 -14.556 397 HD22 LEU 83 2HD2 LEU 83 0.540 -6.613 -14.998 398 HD23 LEU 83 3HD2 LEU 83 -0.177 -6.702 -13.390 399 H GLN 84 H GLN 84 -0.968 -10.514 -11.227 400 HA GLN 84 HA GLN 84 -3.547 -9.566 -11.948 401 HB2 GLN 84 2HB GLN 84 -2.917 -11.911 -11.910 402 HB3 GLN 84 3HB GLN 84 -2.554 -11.830 -10.194 403 HG2 GLN 84 2HG GLN 84 -5.010 -11.474 -9.734 404 HG3 GLN 84 3HG GLN 84 -5.312 -11.795 -11.446 405 HE21 GLN 84 1HE2 GLN 84 -6.434 -13.488 -9.403 406 HE22 GLN 84 2HE2 GLN 84 -5.604 -15.038 -9.514 407 H ARG 85 H ARG 85 -2.153 -10.013 -8.674 408 HA ARG 85 HA ARG 85 -4.241 -8.958 -7.069 409 HB2 ARG 85 2HB ARG 85 -2.543 -10.075 -5.911 410 HB3 ARG 85 3HB ARG 85 -1.255 -9.346 -6.846 411 HG2 ARG 85 2HG ARG 85 -1.066 -8.581 -4.625 412 HG3 ARG 85 3HG ARG 85 -1.501 -7.233 -5.673 413 HD2 ARG 85 2HD ARG 85 -3.962 -7.658 -4.936 414 HD3 ARG 85 3HD ARG 85 -3.348 -8.884 -3.828 415 HE ARG 85 HE ARG 85 -1.949 -6.528 -3.233 416 HH11 ARG 85 1HH1 ARG 85 -5.292 -7.597 -3.120 417 HH12 ARG 85 2HH1 ARG 85 -5.721 -6.444 -1.882 418 HH21 ARG 85 1HH2 ARG 85 -2.563 -5.100 -1.597 419 HH22 ARG 85 2HH2 ARG 85 -4.228 -5.067 -1.070 420 H HIS 86 H HIS 86 -1.372 -7.215 -8.324 421 HA HIS 86 HA HIS 86 -2.187 -4.734 -7.130 422 HB2 HIS 86 2HB HIS 86 -0.146 -5.730 -9.042 423 HB3 HIS 86 3HB HIS 86 -0.306 -3.964 -8.840 424 HD1 HIS 86 1HD HIS 86 2.430 -5.018 -8.118 425 HD2 HIS 86 2HD HIS 86 -0.810 -5.161 -5.442 426 HE1 HIS 86 1HE HIS 86 3.418 -5.325 -5.828 427 H ARG 87 H ARG 87 -2.597 -5.996 -10.505 428 HA ARG 87 HA ARG 87 -4.099 -3.740 -11.469 429 HB2 ARG 87 2HB ARG 87 -4.064 -6.698 -12.166 430 HB3 ARG 87 3HB ARG 87 -5.199 -5.578 -12.934 431 HG2 ARG 87 2HG ARG 87 -3.409 -4.158 -13.722 432 HG3 ARG 87 3HG ARG 87 -2.178 -5.150 -12.911 433 HD2 ARG 87 2HD ARG 87 -2.730 -7.055 -14.285 434 HD3 ARG 87 3HD ARG 87 -4.083 -6.194 -15.049 435 HE ARG 87 HE ARG 87 -1.876 -4.590 -15.571 436 HH11 ARG 87 1HH1 ARG 87 -2.642 -7.960 -16.236 437 HH12 ARG 87 2HH1 ARG 87 -1.636 -8.010 -17.657 438 HH21 ARG 87 1HH2 ARG 87 -0.481 -4.786 -17.314 439 HH22 ARG 87 2HH2 ARG 87 -0.526 -6.244 -18.298 440 H LEU 88 H LEU 88 -5.236 -6.579 -9.586 441 HA LEU 88 HA LEU 88 -7.970 -5.849 -9.514 442 HB2 LEU 88 2HB LEU 88 -6.578 -7.947 -8.627 443 HB3 LEU 88 3HB LEU 88 -6.650 -7.088 -7.097 444 HG LEU 88 HG LEU 88 -9.029 -7.963 -8.791 445 HD11 LEU 88 1HD1 LEU 88 -9.350 -9.649 -7.024 446 HD12 LEU 88 2HD1 LEU 88 -7.891 -9.071 -6.188 447 HD13 LEU 88 3HD1 LEU 88 -7.766 -9.837 -7.788 448 HD21 LEU 88 1HD2 LEU 88 -8.924 -6.751 -5.990 449 HD22 LEU 88 2HD2 LEU 88 -10.355 -7.492 -6.743 450 HD23 LEU 88 3HD2 LEU 88 -9.666 -6.032 -7.440 451 H VAL 89 H VAL 89 -5.360 -4.915 -7.182 452 HA VAL 89 HA VAL 89 -6.927 -3.107 -5.612 453 HB VAL 89 HB VAL 89 -3.958 -2.916 -6.293 454 HG11 VAL 89 1HG1 VAL 89 -3.749 -1.628 -4.192 455 HG12 VAL 89 2HG1 VAL 89 -4.735 -0.763 -5.363 456 HG13 VAL 89 3HG1 VAL 89 -5.518 -1.614 -4.016 457 HG21 VAL 89 1HG2 VAL 89 -4.579 -5.035 -5.149 458 HG22 VAL 89 2HG2 VAL 89 -3.580 -3.976 -4.147 459 HG23 VAL 89 3HG2 VAL 89 -5.335 -4.093 -3.850 460 H HIS 90 H HIS 90 -5.142 -2.556 -8.609 461 HA HIS 90 HA HIS 90 -5.447 0.313 -8.530 462 HB2 HIS 90 2HB HIS 90 -4.519 -1.545 -10.759 463 HB3 HIS 90 3HB HIS 90 -4.382 0.205 -10.785 464 HD1 HIS 90 1HD HIS 90 -1.764 -1.431 -11.082 465 HD2 HIS 90 2HD HIS 90 -3.373 -0.262 -7.364 466 HE1 HIS 90 1HE HIS 90 0.181 -1.319 -9.443 467 H ALA 91 H ALA 91 -7.244 -2.262 -10.269 468 HA ALA 91 HA ALA 91 -8.942 -0.141 -11.417 469 HB1 ALA 91 1HB ALA 91 -8.992 -3.167 -11.820 470 HB2 ALA 91 2HB ALA 91 -9.937 -1.980 -12.750 471 HB3 ALA 91 3HB ALA 91 -8.165 -2.003 -12.876 472 H ALA 92 H ALA 92 -9.253 -2.586 -8.883 473 HA ALA 92 HA ALA 92 -12.089 -1.882 -8.568 474 HB1 ALA 92 1HB ALA 92 -11.061 -4.246 -8.252 475 HB2 ALA 92 2HB ALA 92 -10.442 -3.640 -6.696 476 HB3 ALA 92 3HB ALA 92 -12.177 -3.667 -6.994 477 H LEU 93 H LEU 93 -9.007 -1.339 -6.825 478 HA LEU 93 HA LEU 93 -10.610 0.038 -4.679 479 HB2 LEU 93 2HB LEU 93 -8.021 -1.515 -4.492 480 HB3 LEU 93 3HB LEU 93 -8.797 -0.656 -3.203 481 HG LEU 93 HG LEU 93 -9.520 -3.283 -4.494 482 HD11 LEU 93 1HD1 LEU 93 -9.665 -2.052 -1.744 483 HD12 LEU 93 2HD1 LEU 93 -8.239 -2.896 -2.434 484 HD13 LEU 93 3HD1 LEU 93 -9.750 -3.811 -2.140 485 HD21 LEU 93 1HD2 LEU 93 -11.721 -3.326 -3.294 486 HD22 LEU 93 2HD2 LEU 93 -11.751 -2.292 -4.704 487 HD23 LEU 93 3HD2 LEU 93 -11.625 -1.568 -3.085 488 H ALA 94 H ALA 94 -8.982 0.940 -7.165 489 HA ALA 94 HA ALA 94 -6.982 2.675 -6.196 490 HB1 ALA 94 1HB ALA 94 -7.175 2.518 -8.518 491 HB2 ALA 94 2HB ALA 94 -8.873 3.051 -8.540 492 HB3 ALA 94 3HB ALA 94 -7.558 4.186 -8.170 493 H GLU 95 H GLU 95 -10.507 3.197 -5.730 494 HA GLU 95 HA GLU 95 -9.928 5.861 -4.635 495 HB2 GLU 95 2HB GLU 95 -12.015 5.147 -5.914 496 HB3 GLU 95 3HB GLU 95 -12.525 4.279 -4.458 497 HG2 GLU 95 2HG GLU 95 -12.637 6.331 -3.190 498 HG3 GLU 95 3HG GLU 95 -11.808 7.246 -4.454 499 H GLU 96 H GLU 96 -9.858 2.588 -3.227 500 HA GLU 96 HA GLU 96 -10.459 3.424 -0.570 501 HB2 GLU 96 2HB GLU 96 -9.364 0.959 -1.940 502 HB3 GLU 96 3HB GLU 96 -9.704 1.108 -0.271 503 HG2 GLU 96 2HG GLU 96 -12.059 1.983 -1.620 504 HG3 GLU 96 3HG GLU 96 -11.473 0.600 -2.469 505 H LEU 97 H LEU 97 -7.634 2.251 -2.435 506 HA LEU 97 HA LEU 97 -5.738 3.242 -0.370 507 HB2 LEU 97 2HB LEU 97 -5.887 0.953 -1.419 508 HB3 LEU 97 3HB LEU 97 -5.169 1.621 -2.871 509 HG LEU 97 HG LEU 97 -3.194 2.384 -1.393 510 HD11 LEU 97 1HD1 LEU 97 -4.484 0.416 0.555 511 HD12 LEU 97 2HD1 LEU 97 -4.267 2.158 0.828 512 HD13 LEU 97 3HD1 LEU 97 -2.854 1.107 0.706 513 HD21 LEU 97 1HD2 LEU 97 -3.049 0.447 -2.895 514 HD22 LEU 97 2HD2 LEU 97 -3.748 -0.602 -1.637 515 HD23 LEU 97 3HD2 LEU 97 -2.151 0.153 -1.398 516 H GLY 98 H GLY 98 -6.635 3.995 -3.752 517 HA2 GLY 98 2HA GLY 98 -4.199 5.613 -4.157 518 HA3 GLY 98 3HA GLY 98 -5.465 5.266 -5.321 519 H GLY 99 H GLY 99 -6.621 6.013 -2.235 520 HA2 GLY 99 2HA GLY 99 -8.372 8.068 -3.164 521 HA3 GLY 99 3HA GLY 99 -8.016 7.727 -1.468 522 HA PRO 100 HA PRO 100 -5.777 11.412 -1.293 523 HB2 PRO 100 2HB PRO 100 -4.054 11.124 0.725 524 HB3 PRO 100 3HB PRO 100 -5.775 10.631 0.900 525 HG2 PRO 100 2HG PRO 100 -3.444 8.811 0.231 526 HG3 PRO 100 3HG PRO 100 -4.645 8.626 1.551 527 HD2 PRO 100 2HD PRO 100 -4.956 7.452 -0.922 528 HD3 PRO 100 3HD PRO 100 -6.331 8.002 0.072 529 H VAL 101 H VAL 101 -3.888 9.041 -2.827 530 HA VAL 101 HA VAL 101 -1.508 10.693 -3.462 531 HB VAL 101 HB VAL 101 -0.668 8.526 -4.100 532 HG11 VAL 101 1HG1 VAL 101 -1.915 8.183 -1.362 533 HG12 VAL 101 2HG1 VAL 101 -0.461 7.402 -1.979 534 HG13 VAL 101 3HG1 VAL 101 -0.453 9.157 -1.688 535 HG21 VAL 101 1HG2 VAL 101 -3.244 7.278 -3.154 536 HG22 VAL 101 2HG2 VAL 101 -2.710 7.382 -4.856 537 HG23 VAL 101 3HG2 VAL 101 -1.796 6.426 -3.689 538 H HIS 102 H HIS 102 -0.816 10.846 -5.523 539 HA HIS 102 HA HIS 102 -2.738 10.174 -7.703 540 HB2 HIS 102 2HB HIS 102 -2.194 12.095 -8.651 541 HB3 HIS 102 3HB HIS 102 -1.276 12.497 -7.193 542 HD1 HIS 102 1HD HIS 102 -0.649 11.914 -10.801 543 HD2 HIS 102 2HD HIS 102 1.184 11.423 -7.085 544 HE1 HIS 102 1HE HIS 102 1.870 11.732 -11.296 545 H ALA 103 H ALA 103 0.441 9.481 -6.343 546 HA ALA 103 HA ALA 103 0.671 7.116 -8.098 547 HB1 ALA 103 1HB ALA 103 2.984 7.466 -8.497 548 HB2 ALA 103 2HB ALA 103 2.135 8.946 -8.985 549 HB3 ALA 103 3HB ALA 103 2.997 8.856 -7.416 550 H LEU 104 H LEU 104 1.608 5.381 -7.198 551 HA LEU 104 HA LEU 104 3.057 5.451 -4.790 552 HB2 LEU 104 2HB LEU 104 1.766 4.135 -3.418 553 HB3 LEU 104 3HB LEU 104 0.773 5.514 -3.860 554 HG LEU 104 HG LEU 104 0.445 2.638 -4.818 555 HD11 LEU 104 1HD1 LEU 104 -1.090 4.418 -2.877 556 HD12 LEU 104 2HD1 LEU 104 -0.127 2.990 -2.481 557 HD13 LEU 104 3HD1 LEU 104 -1.621 2.805 -3.418 558 HD21 LEU 104 1HD2 LEU 104 -1.749 3.426 -5.727 559 HD22 LEU 104 2HD2 LEU 104 -0.364 4.061 -6.605 560 HD23 LEU 104 3HD2 LEU 104 -1.228 5.105 -5.457 561 H ALA 105 H ALA 105 4.438 3.787 -4.593 562 HA ALA 105 HA ALA 105 4.137 1.465 -6.457 563 HB1 ALA 105 1HB ALA 105 6.542 2.439 -4.898 564 HB2 ALA 105 2HB ALA 105 6.486 1.002 -5.946 565 HB3 ALA 105 3HB ALA 105 6.257 2.617 -6.642 566 H ILE 106 H ILE 106 3.426 -0.437 -5.654 567 HA ILE 106 HA ILE 106 3.479 -0.873 -2.701 568 HB ILE 106 HB ILE 106 1.416 -2.234 -3.100 569 HG12 ILE 106 2HG1 ILE 106 1.231 -0.741 -5.765 570 HG13 ILE 106 3HG1 ILE 106 1.729 -2.427 -5.619 571 HG21 ILE 106 1HG2 ILE 106 -0.077 -0.285 -3.033 572 HG22 ILE 106 2HG2 ILE 106 1.395 0.029 -2.109 573 HG23 ILE 106 3HG2 ILE 106 1.201 0.739 -3.719 574 HD11 ILE 106 1HD1 ILE 106 -0.973 -1.246 -4.948 575 HD12 ILE 106 2HD1 ILE 106 -0.557 -2.463 -6.163 576 HD13 ILE 106 3HD1 ILE 106 -0.452 -2.887 -4.443 577 H GLN 107 H GLN 107 3.979 -2.878 -1.920 578 HA GLN 107 HA GLN 107 4.180 -5.108 -3.900 579 HB2 GLN 107 2HB GLN 107 6.065 -4.706 -1.531 580 HB3 GLN 107 3HB GLN 107 6.082 -6.048 -2.679 581 HG2 GLN 107 2HG GLN 107 6.681 -4.468 -4.508 582 HG3 GLN 107 3HG GLN 107 6.710 -3.140 -3.345 583 HE21 GLN 107 1HE2 GLN 107 8.450 -6.044 -4.443 584 HE22 GLN 107 2HE2 GLN 107 9.821 -5.807 -3.341 585 H ALA 108 H ALA 108 2.420 -6.317 -3.482 586 HA ALA 108 HA ALA 108 1.516 -6.651 -0.675 587 HB1 ALA 108 1HB ALA 108 0.015 -6.950 -3.276 588 HB2 ALA 108 2HB ALA 108 -0.674 -7.048 -1.631 589 HB3 ALA 108 3HB ALA 108 0.005 -5.510 -2.233 590 H ARG 109 H ARG 109 1.888 -8.416 0.326 591 HA ARG 109 HA ARG 109 2.654 -10.938 -1.115 592 HB2 ARG 109 2HB ARG 109 4.152 -8.783 0.341 593 HB3 ARG 109 3HB ARG 109 4.745 -10.394 0.614 594 HG2 ARG 109 2HG ARG 109 5.128 -10.719 -1.776 595 HG3 ARG 109 3HG ARG 109 4.170 -9.308 -2.200 596 HD2 ARG 109 2HD ARG 109 5.743 -7.785 -1.277 597 HD3 ARG 109 3HD ARG 109 6.690 -9.076 -0.563 598 HE ARG 109 HE ARG 109 6.263 -9.173 -3.510 599 HH11 ARG 109 1HH1 ARG 109 8.630 -8.654 -0.945 600 HH12 ARG 109 2HH1 ARG 109 9.952 -8.766 -2.088 601 HH21 ARG 109 1HH2 ARG 109 7.986 -9.083 -4.866 602 HH22 ARG 109 2HH2 ARG 109 9.597 -8.832 -4.235 603 H THR 110 H THR 110 3.701 -12.509 0.693 604 HA THR 110 HA THR 110 1.361 -12.988 2.460 605 HB THR 110 HB THR 110 1.907 -15.425 2.159 606 HG1 THR 110 1HG THR 110 3.786 -15.694 1.305 607 HG21 THR 110 1HG2 THR 110 0.121 -14.250 0.889 608 HG22 THR 110 2HG2 THR 110 0.920 -15.501 -0.084 609 HG23 THR 110 3HG2 THR 110 1.307 -13.783 -0.347 610 HA PRO 111 HA PRO 111 3.210 -12.509 6.068 611 HB2 PRO 111 2HB PRO 111 2.105 -14.328 7.829 612 HB3 PRO 111 3HB PRO 111 1.222 -12.959 7.081 613 HG2 PRO 111 2HG PRO 111 1.292 -15.834 6.134 614 HG3 PRO 111 3HG PRO 111 -0.140 -14.781 6.384 615 HD2 PRO 111 2HD PRO 111 0.902 -15.092 3.944 616 HD3 PRO 111 3HD PRO 111 0.404 -13.463 4.486 617 H ALA 112 H ALA 112 3.489 -16.156 5.715 618 HA ALA 112 HA ALA 112 5.894 -15.997 7.310 619 HB1 ALA 112 1HB ALA 112 4.912 -18.224 5.486 620 HB2 ALA 112 2HB ALA 112 6.156 -18.378 6.744 621 HB3 ALA 112 3HB ALA 112 4.481 -18.019 7.202 622 H GLN 113 H GLN 113 5.384 -15.224 3.939 623 HA GLN 113 HA GLN 113 8.130 -15.562 3.054 624 HB2 GLN 113 2HB GLN 113 7.248 -14.899 1.139 625 HB3 GLN 113 3HB GLN 113 5.708 -14.642 1.896 626 HG2 GLN 113 2HG GLN 113 6.192 -12.271 2.259 627 HG3 GLN 113 3HG GLN 113 7.844 -12.488 1.772 628 HE21 GLN 113 1HE2 GLN 113 8.237 -11.702 -0.348 629 HE22 GLN 113 2HE2 GLN 113 7.050 -11.910 -1.620 630 H TRP 114 H TRP 114 6.225 -12.864 4.460 631 HA TRP 114 HA TRP 114 8.412 -11.067 4.904 632 HB2 TRP 114 2HB TRP 114 5.989 -10.479 5.098 633 HB3 TRP 114 3HB TRP 114 5.897 -11.371 6.604 634 HD1 TRP 114 HD1 TRP 114 7.014 -10.274 8.726 635 HE1 TRP 114 HE1 TRP 114 7.956 -7.964 9.258 636 HE3 TRP 114 HE3 TRP 114 6.607 -8.247 4.066 637 HZ2 TRP 114 HZ2 TRP 114 8.331 -5.481 7.858 638 HZ3 TRP 114 HZ3 TRP 114 6.909 -5.807 3.815 639 HH2 TRP 114 HH2 TRP 114 7.847 -4.428 5.630 640 H ARG 115 H ARG 115 7.139 -13.659 6.952 641 HA ARG 115 HA ARG 115 8.682 -13.003 9.317 642 HB2 ARG 115 2HB ARG 115 7.579 -15.720 8.486 643 HB3 ARG 115 3HB ARG 115 8.233 -15.317 10.065 644 HG2 ARG 115 2HG ARG 115 6.531 -13.588 10.389 645 HG3 ARG 115 3HG ARG 115 5.829 -13.890 8.852 646 HD2 ARG 115 2HD ARG 115 4.473 -14.872 10.556 647 HD3 ARG 115 3HD ARG 115 5.165 -16.141 9.547 648 HE ARG 115 HE ARG 115 6.881 -16.478 11.357 649 HH11 ARG 115 1HH1 ARG 115 3.672 -15.337 12.375 650 HH12 ARG 115 2HH1 ARG 115 3.925 -16.044 13.951 651 HH21 ARG 115 1HH2 ARG 115 7.019 -17.304 13.240 652 HH22 ARG 115 2HH2 ARG 115 5.724 -17.149 14.431 653 H GLU 116 H GLU 116 9.548 -14.799 6.438 654 HA GLU 116 HA GLU 116 12.131 -15.590 7.663 655 HB2 GLU 116 2HB GLU 116 10.716 -16.343 5.109 656 HB3 GLU 116 3HB GLU 116 12.332 -16.936 5.538 657 HG2 GLU 116 2HG GLU 116 9.889 -17.345 7.342 658 HG3 GLU 116 3HG GLU 116 10.315 -18.438 6.041 659 H ASN 117 H ASN 117 11.300 -14.125 4.463 660 HA ASN 117 HA ASN 117 13.252 -12.052 4.795 661 HB2 ASN 117 2HB ASN 117 14.942 -13.767 4.382 662 HB3 ASN 117 3HB ASN 117 14.044 -14.408 3.022 663 HD21 ASN 117 1HD2 ASN 117 16.127 -14.267 1.979 664 HD22 ASN 117 2HD2 ASN 117 16.613 -12.751 1.218 665 H SER 118 H SER 118 11.768 -14.135 2.412 666 HA SER 118 HA SER 118 9.824 -12.350 1.479 667 HB2 SER 118 2HB SER 118 11.924 -11.411 0.313 668 HB3 SER 118 3HB SER 118 11.871 -12.896 -0.669 669 HG SER 118 HG SER 118 10.651 -10.942 -1.384 Start of MODEL 11 1 HA PRO 31 HA PRO 31 0.909 12.651 7.686 2 HB2 PRO 31 2HB PRO 31 2.181 10.016 8.428 3 HB3 PRO 31 3HB PRO 31 2.870 11.405 7.526 4 HG2 PRO 31 2HG PRO 31 3.529 11.014 10.125 5 HG3 PRO 31 3HG PRO 31 3.161 12.667 9.527 6 HD2 PRO 31 2HD PRO 31 1.330 10.746 10.993 7 HD3 PRO 31 3HD PRO 31 1.606 12.488 11.307 8 H VAL 32 H VAL 32 0.353 11.583 5.765 9 HA VAL 32 HA VAL 32 -2.084 10.022 5.963 10 HB VAL 32 HB VAL 32 -2.320 10.102 3.623 11 HG11 VAL 32 1HG1 VAL 32 -1.224 12.790 4.536 12 HG12 VAL 32 2HG1 VAL 32 -2.406 12.481 3.253 13 HG13 VAL 32 3HG1 VAL 32 -2.832 12.151 4.937 14 HG21 VAL 32 1HG2 VAL 32 0.501 11.223 3.430 15 HG22 VAL 32 2HG2 VAL 32 -0.074 9.652 2.821 16 HG23 VAL 32 3HG2 VAL 32 -0.681 11.148 2.109 17 H GLU 33 H GLU 33 1.100 9.125 6.168 18 HA GLU 33 HA GLU 33 0.831 6.457 4.948 19 HB2 GLU 33 2HB GLU 33 3.045 6.412 5.099 20 HB3 GLU 33 3HB GLU 33 2.976 8.087 5.634 21 HG2 GLU 33 2HG GLU 33 2.882 7.269 7.993 22 HG3 GLU 33 3HG GLU 33 3.114 5.617 7.317 23 H ALA 34 H ALA 34 0.423 7.940 8.124 24 HA ALA 34 HA ALA 34 -0.355 5.474 9.521 25 HB1 ALA 34 1HB ALA 34 -0.530 6.884 11.395 26 HB2 ALA 34 2HB ALA 34 0.962 7.284 10.556 27 HB3 ALA 34 3HB ALA 34 -0.438 8.362 10.386 28 H ALA 35 H ALA 35 -1.978 8.255 7.933 29 HA ALA 35 HA ALA 35 -4.645 7.320 8.458 30 HB1 ALA 35 1HB ALA 35 -5.356 8.766 6.749 31 HB2 ALA 35 2HB ALA 35 -3.969 9.566 7.501 32 HB3 ALA 35 3HB ALA 35 -3.791 8.738 5.926 33 H ILE 36 H ILE 36 -2.393 6.451 5.712 34 HA ILE 36 HA ILE 36 -4.139 4.518 4.543 35 HB ILE 36 HB ILE 36 -1.164 4.880 4.521 36 HG12 ILE 36 2HG1 ILE 36 -3.329 4.786 2.378 37 HG13 ILE 36 3HG1 ILE 36 -2.569 6.236 3.035 38 HG21 ILE 36 1HG2 ILE 36 -1.359 2.413 4.652 39 HG22 ILE 36 2HG2 ILE 36 -2.467 2.447 3.259 40 HG23 ILE 36 3HG2 ILE 36 -0.778 2.934 3.103 41 HD11 ILE 36 1HD1 ILE 36 -1.562 5.800 0.900 42 HD12 ILE 36 2HD1 ILE 36 -0.350 5.370 2.134 43 HD13 ILE 36 3HD1 ILE 36 -1.274 4.097 1.301 44 H ARG 37 H ARG 37 -1.593 3.973 7.099 45 HA ARG 37 HA ARG 37 -2.095 1.264 7.582 46 HB2 ARG 37 2HB ARG 37 -0.371 2.563 8.743 47 HB3 ARG 37 3HB ARG 37 -1.615 3.398 9.690 48 HG2 ARG 37 2HG ARG 37 -2.351 1.249 10.687 49 HG3 ARG 37 3HG ARG 37 -1.233 0.371 9.637 50 HD2 ARG 37 2HD ARG 37 -0.327 0.567 11.833 51 HD3 ARG 37 3HD ARG 37 0.655 1.498 10.680 52 HE ARG 37 HE ARG 37 -1.441 2.787 12.417 53 HH11 ARG 37 1HH1 ARG 37 1.895 2.993 11.206 54 HH12 ARG 37 2HH1 ARG 37 2.248 4.308 12.295 55 HH21 ARG 37 1HH2 ARG 37 -0.824 4.347 13.809 56 HH22 ARG 37 2HH2 ARG 37 0.709 5.167 13.587 57 H THR 38 H THR 38 -3.818 3.918 9.174 58 HA THR 38 HA THR 38 -5.838 2.490 10.501 59 HB THR 38 HB THR 38 -5.932 5.244 9.206 60 HG1 THR 38 1HG THR 38 -4.420 5.378 10.628 61 HG21 THR 38 1HG2 THR 38 -7.707 4.089 11.379 62 HG22 THR 38 2HG2 THR 38 -8.209 4.669 9.789 63 HG23 THR 38 3HG2 THR 38 -7.577 5.815 10.967 64 H LYS 39 H LYS 39 -6.237 3.942 7.189 65 HA LYS 39 HA LYS 39 -8.867 2.715 6.952 66 HB2 LYS 39 2HB LYS 39 -7.212 4.132 4.825 67 HB3 LYS 39 3HB LYS 39 -8.910 3.691 4.696 68 HG2 LYS 39 2HG LYS 39 -7.668 5.807 6.468 69 HG3 LYS 39 3HG LYS 39 -8.854 6.013 5.189 70 HD2 LYS 39 2HD LYS 39 -9.333 4.680 7.879 71 HD3 LYS 39 3HD LYS 39 -9.789 6.314 7.452 72 HE2 LYS 39 2HE LYS 39 -11.367 5.490 5.760 73 HE3 LYS 39 3HE LYS 39 -10.833 3.824 6.030 74 HZ1 LYS 39 1HZ LYS 39 -12.172 5.540 8.047 75 HZ2 LYS 39 2HZ LYS 39 -11.605 4.038 8.345 76 HZ3 LYS 39 3HZ LYS 39 -12.854 4.246 7.292 77 H LEU 40 H LEU 40 -5.681 1.634 5.782 78 HA LEU 40 HA LEU 40 -6.883 -0.525 4.281 79 HB2 LEU 40 2HB LEU 40 -4.056 0.239 5.050 80 HB3 LEU 40 3HB LEU 40 -4.417 -1.288 4.289 81 HG LEU 40 HG LEU 40 -3.638 0.438 2.762 82 HD11 LEU 40 1HD1 LEU 40 -4.985 -1.473 1.962 83 HD12 LEU 40 2HD1 LEU 40 -5.245 -0.036 0.958 84 HD13 LEU 40 3HD1 LEU 40 -6.466 -0.512 2.144 85 HD21 LEU 40 1HD2 LEU 40 -6.292 1.870 3.025 86 HD22 LEU 40 2HD2 LEU 40 -5.010 2.197 1.849 87 HD23 LEU 40 3HD2 LEU 40 -4.705 2.493 3.550 88 H GLU 41 H GLU 41 -5.708 -0.225 7.665 89 HA GLU 41 HA GLU 41 -6.213 -3.006 8.313 90 HB2 GLU 41 2HB GLU 41 -6.230 -0.465 9.961 91 HB3 GLU 41 3HB GLU 41 -6.724 -2.031 10.618 92 HG2 GLU 41 2HG GLU 41 -4.580 -3.031 10.133 93 HG3 GLU 41 3HG GLU 41 -4.009 -1.579 9.323 94 H GLU 42 H GLU 42 -8.430 -0.106 8.279 95 HA GLU 42 HA GLU 42 -10.782 -1.616 8.747 96 HB2 GLU 42 2HB GLU 42 -10.147 1.018 8.380 97 HB3 GLU 42 3HB GLU 42 -10.905 0.694 6.837 98 HG2 GLU 42 2HG GLU 42 -12.078 0.147 9.585 99 HG3 GLU 42 3HG GLU 42 -12.419 1.591 8.630 100 H ALA 43 H ALA 43 -9.074 -1.043 5.639 101 HA ALA 43 HA ALA 43 -11.158 -2.121 4.031 102 HB1 ALA 43 1HB ALA 43 -9.633 -1.864 2.199 103 HB2 ALA 43 2HB ALA 43 -9.450 -0.469 3.262 104 HB3 ALA 43 3HB ALA 43 -8.240 -1.784 3.285 105 H LEU 44 H LEU 44 -8.019 -3.701 4.991 106 HA LEU 44 HA LEU 44 -9.256 -6.293 4.237 107 HB2 LEU 44 2HB LEU 44 -7.368 -7.091 3.172 108 HB3 LEU 44 3HB LEU 44 -7.860 -5.621 2.364 109 HG LEU 44 HG LEU 44 -5.689 -5.440 4.482 110 HD11 LEU 44 1HD1 LEU 44 -5.047 -7.412 3.163 111 HD12 LEU 44 2HD1 LEU 44 -3.963 -6.045 2.861 112 HD13 LEU 44 3HD1 LEU 44 -5.210 -6.480 1.663 113 HD21 LEU 44 1HD2 LEU 44 -6.044 -4.153 1.746 114 HD22 LEU 44 2HD2 LEU 44 -4.814 -3.739 2.967 115 HD23 LEU 44 3HD2 LEU 44 -6.535 -3.434 3.289 116 H SER 45 H SER 45 -7.683 -4.674 6.746 117 HA SER 45 HA SER 45 -6.607 -5.269 8.642 118 HB2 SER 45 2HB SER 45 -7.442 -7.134 9.864 119 HB3 SER 45 3HB SER 45 -8.721 -6.251 9.059 120 HG SER 45 HG SER 45 -8.043 -8.088 7.379 121 HA PRO 46 HA PRO 46 -3.071 -7.299 6.305 122 HB2 PRO 46 2HB PRO 46 -1.716 -5.169 7.939 123 HB3 PRO 46 3HB PRO 46 -1.342 -5.645 6.290 124 HG2 PRO 46 2HG PRO 46 -2.680 -3.385 6.889 125 HG3 PRO 46 3HG PRO 46 -3.209 -4.374 5.467 126 HD2 PRO 46 2HD PRO 46 -4.400 -4.216 8.230 127 HD3 PRO 46 3HD PRO 46 -5.222 -4.354 6.646 128 H GLU 47 H GLU 47 -1.361 -8.692 7.138 129 HA GLU 47 HA GLU 47 -0.968 -8.911 10.064 130 HB2 GLU 47 2HB GLU 47 -0.512 -10.722 8.053 131 HB3 GLU 47 3HB GLU 47 0.986 -9.842 8.028 132 HG2 GLU 47 2HG GLU 47 1.636 -11.280 9.481 133 HG3 GLU 47 3HG GLU 47 0.977 -10.165 10.646 134 H VAL 48 H VAL 48 0.399 -7.337 7.091 135 HA VAL 48 HA VAL 48 2.445 -6.040 8.786 136 HB VAL 48 HB VAL 48 3.656 -7.079 6.328 137 HG11 VAL 48 1HG1 VAL 48 4.775 -5.935 8.042 138 HG12 VAL 48 2HG1 VAL 48 4.326 -7.307 9.183 139 HG13 VAL 48 3HG1 VAL 48 5.374 -7.599 7.755 140 HG21 VAL 48 1HG2 VAL 48 2.585 -9.313 6.899 141 HG22 VAL 48 2HG2 VAL 48 4.306 -9.285 7.199 142 HG23 VAL 48 3HG2 VAL 48 3.179 -9.128 8.560 143 H LEU 49 H LEU 49 3.299 -4.204 8.035 144 HA LEU 49 HA LEU 49 2.265 -2.948 5.562 145 HB2 LEU 49 2HB LEU 49 0.454 -2.929 7.266 146 HB3 LEU 49 3HB LEU 49 1.513 -2.174 8.434 147 HG LEU 49 HG LEU 49 -0.254 -0.757 7.360 148 HD11 LEU 49 1HD1 LEU 49 1.666 0.205 8.568 149 HD12 LEU 49 2HD1 LEU 49 1.098 1.248 7.245 150 HD13 LEU 49 3HD1 LEU 49 2.573 0.290 7.057 151 HD21 LEU 49 1HD2 LEU 49 0.057 0.129 5.135 152 HD22 LEU 49 2HD2 LEU 49 0.061 -1.659 5.080 153 HD23 LEU 49 3HD2 LEU 49 1.585 -0.759 4.941 154 H GLU 50 H GLU 50 4.198 -2.048 4.768 155 HA GLU 50 HA GLU 50 5.656 -0.236 6.585 156 HB2 GLU 50 2HB GLU 50 7.091 -2.270 4.885 157 HB3 GLU 50 3HB GLU 50 7.781 -0.975 5.820 158 HG2 GLU 50 2HG GLU 50 6.721 -2.023 7.887 159 HG3 GLU 50 3HG GLU 50 6.423 -3.459 6.913 160 H LEU 51 H LEU 51 6.009 1.624 5.634 161 HA LEU 51 HA LEU 51 6.147 1.890 2.713 162 HB2 LEU 51 2HB LEU 51 4.102 2.900 2.329 163 HB3 LEU 51 3HB LEU 51 3.737 1.495 3.317 164 HG LEU 51 HG LEU 51 3.802 4.370 4.105 165 HD11 LEU 51 1HD1 LEU 51 1.799 3.716 2.852 166 HD12 LEU 51 2HD1 LEU 51 1.372 4.058 4.532 167 HD13 LEU 51 3HD1 LEU 51 1.516 2.374 3.989 168 HD21 LEU 51 1HD2 LEU 51 3.360 1.948 5.850 169 HD22 LEU 51 2HD2 LEU 51 2.775 3.556 6.325 170 HD23 LEU 51 3HD2 LEU 51 4.504 3.279 6.097 171 H ARG 52 H ARG 52 6.343 4.081 1.872 172 HA ARG 52 HA ARG 52 6.926 6.283 3.663 173 HB2 ARG 52 2HB ARG 52 9.077 4.942 3.738 174 HB3 ARG 52 3HB ARG 52 9.195 5.086 1.989 175 HG2 ARG 52 2HG ARG 52 10.690 6.651 3.071 176 HG3 ARG 52 3HG ARG 52 9.449 7.547 2.206 177 HD2 ARG 52 2HD ARG 52 8.219 7.847 4.389 178 HD3 ARG 52 3HD ARG 52 9.536 7.006 5.201 179 HE ARG 52 HE ARG 52 11.042 8.842 4.332 180 HH11 ARG 52 1HH1 ARG 52 7.604 9.761 4.608 181 HH12 ARG 52 2HH1 ARG 52 8.101 11.422 4.920 182 HH21 ARG 52 1HH2 ARG 52 11.402 10.891 5.030 183 HH22 ARG 52 2HH2 ARG 52 10.046 12.026 5.020 184 H ASN 53 H ASN 53 6.876 8.278 2.522 185 HA ASN 53 HA ASN 53 5.938 8.045 -0.228 186 HB2 ASN 53 2HB ASN 53 4.866 9.982 0.006 187 HB3 ASN 53 3HB ASN 53 4.904 9.422 1.654 188 HD21 ASN 53 1HD2 ASN 53 4.998 11.339 2.895 189 HD22 ASN 53 2HD2 ASN 53 6.095 12.664 2.447 190 H GLU 54 H GLU 54 6.732 8.969 -2.054 191 HA GLU 54 HA GLU 54 9.690 9.318 -2.204 192 HB2 GLU 54 2HB GLU 54 8.626 7.713 -3.695 193 HB3 GLU 54 3HB GLU 54 7.489 8.927 -4.273 194 HG2 GLU 54 2HG GLU 54 9.275 10.163 -5.380 195 HG3 GLU 54 3HG GLU 54 10.505 9.106 -4.669 196 H SER 55 H SER 55 6.776 11.098 -2.227 197 HA SER 55 HA SER 55 7.221 13.358 -3.759 198 HB2 SER 55 2HB SER 55 5.200 12.374 -2.807 199 HB3 SER 55 3HB SER 55 5.615 13.017 -1.211 200 HG SER 55 HG SER 55 4.818 14.431 -3.544 201 H GLY 56 H GLY 56 8.873 12.745 -0.748 202 HA2 GLY 56 2HA GLY 56 9.685 15.455 -0.141 203 HA3 GLY 56 3HA GLY 56 10.570 13.975 0.233 204 H GLY 57 H GLY 57 10.312 13.471 -2.850 205 HA2 GLY 57 2HA GLY 57 12.703 14.827 -3.856 206 HA3 GLY 57 3HA GLY 57 11.732 13.599 -4.645 207 H HIS 58 H HIS 58 9.541 15.936 -3.648 208 HA HIS 58 HA HIS 58 9.742 17.440 -6.230 209 HB2 HIS 58 2HB HIS 58 7.281 16.304 -4.850 210 HB3 HIS 58 3HB HIS 58 7.241 17.504 -6.138 211 HD1 HIS 58 1HD HIS 58 7.578 16.731 -8.589 212 HD2 HIS 58 2HD HIS 58 8.273 13.773 -5.672 213 HE1 HIS 58 1HE HIS 58 7.732 14.507 -9.840 214 H ALA 59 H ALA 59 9.024 19.551 -6.270 215 HA ALA 59 HA ALA 59 9.210 21.100 -3.819 216 HB1 ALA 59 1HB ALA 59 10.277 21.801 -5.894 217 HB2 ALA 59 2HB ALA 59 8.705 21.821 -6.728 218 HB3 ALA 59 3HB ALA 59 9.040 22.986 -5.435 219 H VAL 60 H VAL 60 7.012 19.433 -3.504 220 HA VAL 60 HA VAL 60 4.516 20.643 -4.352 221 HB VAL 60 HB VAL 60 3.523 18.896 -2.778 222 HG11 VAL 60 1HG1 VAL 60 3.643 18.446 -5.120 223 HG12 VAL 60 2HG1 VAL 60 5.371 18.078 -5.036 224 HG13 VAL 60 3HG1 VAL 60 4.196 16.998 -4.272 225 HG21 VAL 60 1HG2 VAL 60 5.535 18.632 -1.296 226 HG22 VAL 60 2HG2 VAL 60 4.880 17.127 -1.962 227 HG23 VAL 60 3HG2 VAL 60 6.358 17.808 -2.647 228 HA PRO 61 HA PRO 61 3.652 23.381 -0.938 229 HB2 PRO 61 2HB PRO 61 0.927 23.055 -0.543 230 HB3 PRO 61 3HB PRO 61 1.645 23.990 -1.883 231 HG2 PRO 61 2HG PRO 61 0.678 21.125 -1.908 232 HG3 PRO 61 3HG PRO 61 0.347 22.410 -3.105 233 HD2 PRO 61 2HD PRO 61 2.269 20.560 -3.533 234 HD3 PRO 61 3HD PRO 61 2.535 22.258 -4.007 235 HA PRO 62 HA PRO 62 3.954 20.966 2.754 236 HB2 PRO 62 2HB PRO 62 2.851 22.561 4.716 237 HB3 PRO 62 3HB PRO 62 4.437 22.865 3.944 238 HG2 PRO 62 2HG PRO 62 1.753 24.088 3.228 239 HG3 PRO 62 3HG PRO 62 3.319 24.925 3.486 240 HD2 PRO 62 2HD PRO 62 2.455 24.326 0.998 241 HD3 PRO 62 3HD PRO 62 4.182 24.138 1.421 242 H GLY 63 H GLY 63 2.861 19.297 3.668 243 HA2 GLY 63 2HA GLY 63 1.104 17.964 4.385 244 HA3 GLY 63 3HA GLY 63 -0.049 19.257 4.059 245 H SER 64 H SER 64 1.704 18.932 1.223 246 HA SER 64 HA SER 64 -0.190 16.970 0.040 247 HB2 SER 64 2HB SER 64 0.051 19.102 -1.123 248 HB3 SER 64 3HB SER 64 1.791 18.807 -1.327 249 HG SER 64 HG SER 64 0.584 18.165 -3.184 250 H GLU 65 H GLU 65 0.377 14.969 -0.286 251 HA GLU 65 HA GLU 65 3.241 14.121 -0.488 252 HB2 GLU 65 2HB GLU 65 1.021 12.778 1.097 253 HB3 GLU 65 3HB GLU 65 2.563 12.042 0.649 254 HG2 GLU 65 2HG GLU 65 3.043 12.756 2.754 255 HG3 GLU 65 3HG GLU 65 3.710 14.054 1.785 256 H THR 66 H THR 66 2.758 14.512 -2.775 257 HA THR 66 HA THR 66 0.550 13.410 -4.181 258 HB THR 66 HB THR 66 1.950 13.943 -6.206 259 HG1 THR 66 1HG THR 66 3.979 14.576 -5.968 260 HG21 THR 66 1HG2 THR 66 1.993 16.149 -4.099 261 HG22 THR 66 2HG2 THR 66 0.626 15.764 -5.159 262 HG23 THR 66 3HG2 THR 66 2.134 16.361 -5.856 263 H HIS 67 H HIS 67 3.481 11.980 -3.195 264 HA HIS 67 HA HIS 67 3.481 9.886 -5.347 265 HB2 HIS 67 2HB HIS 67 5.173 12.181 -4.885 266 HB3 HIS 67 3HB HIS 67 6.098 10.770 -4.555 267 HD1 HIS 67 1HD HIS 67 7.407 10.329 -6.923 268 HD2 HIS 67 2HD HIS 67 3.466 11.727 -7.174 269 HE1 HIS 67 1HE HIS 67 7.016 10.879 -9.371 270 H PHE 68 H PHE 68 3.555 7.846 -4.473 271 HA PHE 68 HA PHE 68 4.738 7.517 -1.751 272 HB2 PHE 68 2HB PHE 68 2.099 8.030 -2.234 273 HB3 PHE 68 3HB PHE 68 1.994 6.339 -2.041 274 HD1 PHE 68 1HD PHE 68 3.066 5.433 0.332 275 HD2 PHE 68 2HD PHE 68 2.277 9.583 -0.566 276 HE1 PHE 68 1HE PHE 68 2.994 5.987 2.793 277 HE2 PHE 68 2HE PHE 68 2.153 10.083 1.845 278 HZ PHE 68 HZ PHE 68 2.513 8.308 3.500 279 H ARG 69 H ARG 69 5.387 5.538 -0.974 280 HA ARG 69 HA ARG 69 5.302 3.248 -2.878 281 HB2 ARG 69 2HB ARG 69 7.518 4.622 -2.768 282 HB3 ARG 69 3HB ARG 69 7.702 3.946 -1.151 283 HG2 ARG 69 2HG ARG 69 8.951 2.522 -2.613 284 HG3 ARG 69 3HG ARG 69 7.482 1.635 -2.216 285 HD2 ARG 69 2HD ARG 69 7.247 1.351 -4.465 286 HD3 ARG 69 3HD ARG 69 6.664 2.990 -4.457 287 HE ARG 69 HE ARG 69 8.953 3.788 -5.024 288 HH11 ARG 69 1HH1 ARG 69 8.624 0.331 -5.492 289 HH12 ARG 69 2HH1 ARG 69 9.452 0.404 -7.047 290 HH21 ARG 69 1HH2 ARG 69 10.057 3.743 -6.983 291 HH22 ARG 69 2HH2 ARG 69 10.302 2.195 -7.757 292 H VAL 70 H VAL 70 4.538 1.409 -2.035 293 HA VAL 70 HA VAL 70 4.377 1.178 0.962 294 HB VAL 70 HB VAL 70 2.113 0.554 -0.959 295 HG11 VAL 70 1HG1 VAL 70 0.771 0.527 1.225 296 HG12 VAL 70 2HG1 VAL 70 1.838 -0.838 0.938 297 HG13 VAL 70 3HG1 VAL 70 2.326 0.405 2.082 298 HG21 VAL 70 1HG2 VAL 70 2.569 2.985 0.799 299 HG22 VAL 70 2HG2 VAL 70 2.297 2.935 -0.950 300 HG23 VAL 70 3HG2 VAL 70 0.986 2.537 0.163 301 H ALA 71 H ALA 71 4.415 -0.763 1.928 302 HA ALA 71 HA ALA 71 4.233 -3.210 0.216 303 HB1 ALA 71 1HB ALA 71 5.898 -2.963 2.759 304 HB2 ALA 71 2HB ALA 71 5.662 -4.419 1.776 305 HB3 ALA 71 3HB ALA 71 6.537 -3.039 1.094 306 H VAL 72 H VAL 72 2.541 -4.440 0.673 307 HA VAL 72 HA VAL 72 1.164 -4.218 3.311 308 HB VAL 72 HB VAL 72 -0.995 -4.631 1.874 309 HG11 VAL 72 1HG1 VAL 72 0.287 -1.923 2.282 310 HG12 VAL 72 2HG1 VAL 72 -1.417 -2.172 1.833 311 HG13 VAL 72 3HG1 VAL 72 -0.805 -2.808 3.366 312 HG21 VAL 72 1HG2 VAL 72 -1.135 -3.427 -0.218 313 HG22 VAL 72 2HG2 VAL 72 0.583 -2.976 -0.139 314 HG23 VAL 72 3HG2 VAL 72 0.105 -4.673 -0.360 315 H VAL 73 H VAL 73 1.137 -6.135 4.263 316 HA VAL 73 HA VAL 73 1.193 -8.582 2.542 317 HB VAL 73 HB VAL 73 2.257 -8.113 5.233 318 HG11 VAL 73 1HG1 VAL 73 1.956 -10.466 4.739 319 HG12 VAL 73 2HG1 VAL 73 2.929 -10.306 3.265 320 HG13 VAL 73 3HG1 VAL 73 3.672 -10.078 4.854 321 HG21 VAL 73 1HG2 VAL 73 3.635 -7.537 2.625 322 HG22 VAL 73 2HG2 VAL 73 3.592 -6.591 4.097 323 HG23 VAL 73 3HG2 VAL 73 4.574 -8.051 4.047 324 H SER 74 H SER 74 -0.407 -10.049 2.849 325 HA SER 74 HA SER 74 -1.888 -10.330 5.390 326 HB2 SER 74 2HB SER 74 -3.026 -8.384 4.465 327 HB3 SER 74 3HB SER 74 -3.124 -9.145 2.875 328 HG SER 74 HG SER 74 -4.499 -10.008 5.241 329 H SER 75 H SER 75 -3.157 -12.218 5.480 330 HA SER 75 HA SER 75 -2.709 -14.369 3.654 331 HB2 SER 75 2HB SER 75 -5.049 -13.915 5.558 332 HB3 SER 75 3HB SER 75 -4.627 -15.445 4.767 333 HG SER 75 HG SER 75 -3.679 -15.635 6.644 334 H ARG 76 H ARG 76 -4.789 -11.608 3.290 335 HA ARG 76 HA ARG 76 -6.739 -12.658 1.484 336 HB2 ARG 76 2HB ARG 76 -6.722 -10.437 2.637 337 HB3 ARG 76 3HB ARG 76 -5.504 -9.870 1.488 338 HG2 ARG 76 2HG ARG 76 -7.026 -9.986 -0.351 339 HG3 ARG 76 3HG ARG 76 -8.117 -11.084 0.515 340 HD2 ARG 76 2HD ARG 76 -8.594 -9.240 2.157 341 HD3 ARG 76 3HD ARG 76 -7.618 -8.156 1.158 342 HE ARG 76 HE ARG 76 -9.461 -7.871 -0.211 343 HH11 ARG 76 1HH1 ARG 76 -10.124 -10.845 1.604 344 HH12 ARG 76 2HH1 ARG 76 -11.650 -11.055 0.774 345 HH21 ARG 76 1HH2 ARG 76 -11.385 -8.090 -0.965 346 HH22 ARG 76 2HH2 ARG 76 -12.418 -9.447 -0.507 347 H PHE 77 H PHE 77 -3.314 -12.074 0.972 348 HA PHE 77 HA PHE 77 -3.618 -12.118 -1.958 349 HB2 PHE 77 2HB PHE 77 -1.292 -11.427 -0.136 350 HB3 PHE 77 3HB PHE 77 -1.312 -11.259 -1.874 351 HD1 PHE 77 1HD PHE 77 -3.800 -9.947 -2.584 352 HD2 PHE 77 2HD PHE 77 -1.271 -9.293 0.848 353 HE1 PHE 77 1HE PHE 77 -4.641 -7.625 -2.400 354 HE2 PHE 77 2HE PHE 77 -2.120 -6.965 1.026 355 HZ PHE 77 HZ PHE 77 -3.796 -6.129 -0.598 356 H GLU 78 H GLU 78 -3.585 -14.623 0.058 357 HA GLU 78 HA GLU 78 -1.369 -16.087 -1.093 358 HB2 GLU 78 2HB GLU 78 -1.729 -17.669 0.497 359 HB3 GLU 78 3HB GLU 78 -2.134 -16.187 1.334 360 HG2 GLU 78 2HG GLU 78 -4.566 -16.725 1.021 361 HG3 GLU 78 3HG GLU 78 -4.116 -18.190 0.159 362 H GLY 79 H GLY 79 -1.436 -18.077 -2.121 363 HA2 GLY 79 2HA GLY 79 -2.220 -19.828 -3.329 364 HA3 GLY 79 3HA GLY 79 -3.875 -19.369 -2.910 365 H LEU 80 H LEU 80 -2.683 -16.719 -4.448 366 HA LEU 80 HA LEU 80 -3.343 -17.561 -7.224 367 HB2 LEU 80 2HB LEU 80 -3.918 -15.063 -7.324 368 HB3 LEU 80 3HB LEU 80 -5.060 -16.181 -6.630 369 HG LEU 80 HG LEU 80 -4.609 -15.341 -4.546 370 HD11 LEU 80 1HD1 LEU 80 -2.346 -13.680 -5.694 371 HD12 LEU 80 2HD1 LEU 80 -2.214 -14.958 -4.457 372 HD13 LEU 80 3HD1 LEU 80 -3.049 -13.466 -4.069 373 HD21 LEU 80 1HD2 LEU 80 -4.667 -12.900 -6.321 374 HD22 LEU 80 2HD2 LEU 80 -5.312 -13.048 -4.672 375 HD23 LEU 80 3HD2 LEU 80 -6.067 -13.950 -5.991 376 H SER 81 H SER 81 -2.382 -16.120 -8.874 377 HA SER 81 HA SER 81 0.442 -16.059 -8.872 378 HB2 SER 81 2HB SER 81 -0.813 -16.210 -10.896 379 HB3 SER 81 3HB SER 81 -1.693 -14.715 -10.558 380 HG SER 81 HG SER 81 0.068 -14.642 -12.122 381 HA PRO 82 HA PRO 82 1.553 -12.155 -6.851 382 HB2 PRO 82 2HB PRO 82 3.691 -11.358 -8.413 383 HB3 PRO 82 3HB PRO 82 3.758 -12.569 -7.101 384 HG2 PRO 82 2HG PRO 82 3.464 -13.063 -10.076 385 HG3 PRO 82 3HG PRO 82 4.560 -13.879 -8.916 386 HD2 PRO 82 2HD PRO 82 2.240 -15.019 -9.648 387 HD3 PRO 82 3HD PRO 82 2.765 -15.097 -7.944 388 H LEU 83 H LEU 83 1.326 -12.235 -10.437 389 HA LEU 83 HA LEU 83 0.723 -9.465 -10.855 390 HB2 LEU 83 2HB LEU 83 0.092 -12.009 -12.416 391 HB3 LEU 83 3HB LEU 83 -0.498 -10.434 -12.918 392 HG LEU 83 HG LEU 83 1.809 -9.568 -13.094 393 HD11 LEU 83 1HD1 LEU 83 3.671 -11.245 -13.233 394 HD12 LEU 83 2HD1 LEU 83 2.605 -12.453 -12.501 395 HD13 LEU 83 3HD1 LEU 83 3.086 -10.988 -11.593 396 HD21 LEU 83 1HD2 LEU 83 2.352 -10.814 -15.154 397 HD22 LEU 83 2HD2 LEU 83 0.615 -10.494 -15.044 398 HD23 LEU 83 3HD2 LEU 83 1.244 -12.114 -14.670 399 H GLN 84 H GLN 84 -1.344 -12.235 -9.941 400 HA GLN 84 HA GLN 84 -3.785 -10.723 -10.305 401 HB2 GLN 84 2HB GLN 84 -3.635 -13.131 -10.713 402 HB3 GLN 84 3HB GLN 84 -3.405 -13.431 -8.982 403 HG2 GLN 84 2HG GLN 84 -5.630 -12.761 -8.461 404 HG3 GLN 84 3HG GLN 84 -5.768 -11.790 -9.929 405 HE21 GLN 84 1HE2 GLN 84 -6.012 -15.160 -8.702 406 HE22 GLN 84 2HE2 GLN 84 -6.694 -15.744 -10.201 407 H ARG 85 H ARG 85 -1.797 -11.515 -7.385 408 HA ARG 85 HA ARG 85 -3.673 -10.111 -5.609 409 HB2 ARG 85 2HB ARG 85 -1.736 -9.863 -4.041 410 HB3 ARG 85 3HB ARG 85 -2.172 -11.514 -4.449 411 HG2 ARG 85 2HG ARG 85 -0.299 -11.710 -5.968 412 HG3 ARG 85 3HG ARG 85 0.057 -9.985 -5.801 413 HD2 ARG 85 2HD ARG 85 1.667 -10.901 -4.499 414 HD3 ARG 85 3HD ARG 85 0.437 -10.469 -3.306 415 HE ARG 85 HE ARG 85 -0.217 -13.030 -3.566 416 HH11 ARG 85 1HH1 ARG 85 3.082 -11.695 -3.347 417 HH12 ARG 85 2HH1 ARG 85 3.534 -13.023 -2.304 418 HH21 ARG 85 1HH2 ARG 85 0.701 -14.850 -2.706 419 HH22 ARG 85 2HH2 ARG 85 2.388 -14.824 -2.224 420 H HIS 86 H HIS 86 -0.863 -8.957 -7.535 421 HA HIS 86 HA HIS 86 -1.148 -6.218 -6.706 422 HB2 HIS 86 2HB HIS 86 0.166 -7.718 -8.935 423 HB3 HIS 86 3HB HIS 86 -0.036 -5.961 -9.108 424 HD1 HIS 86 1HD HIS 86 2.269 -4.960 -8.506 425 HD2 HIS 86 2HD HIS 86 1.099 -8.120 -6.012 426 HE1 HIS 86 1HE HIS 86 4.023 -5.102 -6.656 427 H ARG 87 H ARG 87 -2.655 -7.936 -9.514 428 HA ARG 87 HA ARG 87 -4.344 -5.885 -10.474 429 HB2 ARG 87 2HB ARG 87 -3.963 -8.197 -11.449 430 HB3 ARG 87 3HB ARG 87 -4.972 -8.843 -10.174 431 HG2 ARG 87 2HG ARG 87 -6.357 -8.838 -11.972 432 HG3 ARG 87 3HG ARG 87 -6.890 -7.406 -11.112 433 HD2 ARG 87 2HD ARG 87 -4.791 -7.123 -13.284 434 HD3 ARG 87 3HD ARG 87 -6.428 -7.513 -13.776 435 HE ARG 87 HE ARG 87 -5.476 -4.943 -12.794 436 HH11 ARG 87 1HH1 ARG 87 -8.412 -6.825 -13.334 437 HH12 ARG 87 2HH1 ARG 87 -9.414 -5.402 -13.128 438 HH21 ARG 87 1HH2 ARG 87 -6.713 -3.261 -12.873 439 HH22 ARG 87 2HH2 ARG 87 -8.465 -3.385 -13.091 440 H LEU 88 H LEU 88 -4.948 -8.135 -7.748 441 HA LEU 88 HA LEU 88 -7.501 -7.202 -6.993 442 HB2 LEU 88 2HB LEU 88 -5.951 -9.205 -6.182 443 HB3 LEU 88 3HB LEU 88 -5.482 -8.086 -4.919 444 HG LEU 88 HG LEU 88 -8.298 -9.092 -5.505 445 HD11 LEU 88 1HD1 LEU 88 -6.771 -10.788 -4.559 446 HD12 LEU 88 2HD1 LEU 88 -8.014 -10.328 -3.397 447 HD13 LEU 88 3HD1 LEU 88 -6.365 -9.690 -3.216 448 HD21 LEU 88 1HD2 LEU 88 -8.863 -8.100 -3.274 449 HD22 LEU 88 2HD2 LEU 88 -8.503 -6.901 -4.510 450 HD23 LEU 88 3HD2 LEU 88 -7.281 -7.281 -3.269 451 H VAL 89 H VAL 89 -4.277 -6.063 -5.753 452 HA VAL 89 HA VAL 89 -5.384 -3.908 -4.176 453 HB VAL 89 HB VAL 89 -2.636 -4.096 -5.485 454 HG11 VAL 89 1HG1 VAL 89 -3.080 -1.744 -4.863 455 HG12 VAL 89 2HG1 VAL 89 -3.600 -2.257 -3.243 456 HG13 VAL 89 3HG1 VAL 89 -1.916 -2.458 -3.757 457 HG21 VAL 89 1HG2 VAL 89 -3.021 -5.904 -3.874 458 HG22 VAL 89 2HG2 VAL 89 -1.914 -4.713 -3.185 459 HG23 VAL 89 3HG2 VAL 89 -3.613 -4.738 -2.668 460 H HIS 90 H HIS 90 -4.534 -4.044 -7.552 461 HA HIS 90 HA HIS 90 -4.605 -1.170 -7.993 462 HB2 HIS 90 2HB HIS 90 -4.429 -3.547 -9.899 463 HB3 HIS 90 3HB HIS 90 -4.341 -1.868 -10.403 464 HD1 HIS 90 1HD HIS 90 -1.939 -3.267 -11.320 465 HD2 HIS 90 2HD HIS 90 -2.259 -1.956 -7.324 466 HE1 HIS 90 1HE HIS 90 0.442 -2.957 -10.457 467 H ALA 91 H ALA 91 -6.907 -3.835 -8.504 468 HA ALA 91 HA ALA 91 -8.909 -1.958 -9.554 469 HB1 ALA 91 1HB ALA 91 -10.342 -4.020 -9.594 470 HB2 ALA 91 2HB ALA 91 -8.808 -4.253 -10.454 471 HB3 ALA 91 3HB ALA 91 -9.028 -4.932 -8.830 472 H ALA 92 H ALA 92 -8.574 -3.927 -6.538 473 HA ALA 92 HA ALA 92 -11.023 -2.662 -5.557 474 HB1 ALA 92 1HB ALA 92 -11.019 -4.375 -3.892 475 HB2 ALA 92 2HB ALA 92 -10.595 -5.130 -5.441 476 HB3 ALA 92 3HB ALA 92 -9.331 -4.793 -4.230 477 H LEU 93 H LEU 93 -7.578 -1.990 -5.021 478 HA LEU 93 HA LEU 93 -8.529 -0.276 -2.716 479 HB2 LEU 93 2HB LEU 93 -5.852 -1.647 -3.100 480 HB3 LEU 93 3HB LEU 93 -6.074 -0.311 -2.031 481 HG LEU 93 HG LEU 93 -6.068 -2.019 -0.613 482 HD11 LEU 93 1HD1 LEU 93 -7.990 -0.505 -0.156 483 HD12 LEU 93 2HD1 LEU 93 -8.202 -2.157 0.453 484 HD13 LEU 93 3HD1 LEU 93 -9.056 -1.647 -1.008 485 HD21 LEU 93 1HD2 LEU 93 -6.231 -3.767 -2.202 486 HD22 LEU 93 2HD2 LEU 93 -7.978 -3.502 -2.397 487 HD23 LEU 93 3HD2 LEU 93 -7.331 -4.082 -0.840 488 H ALA 94 H ALA 94 -7.753 0.197 -5.957 489 HA ALA 94 HA ALA 94 -5.778 2.191 -5.600 490 HB1 ALA 94 1HB ALA 94 -6.120 1.148 -7.736 491 HB2 ALA 94 2HB ALA 94 -7.777 1.797 -7.864 492 HB3 ALA 94 3HB ALA 94 -6.373 2.885 -7.933 493 H GLU 95 H GLU 95 -9.256 2.663 -5.129 494 HA GLU 95 HA GLU 95 -8.962 5.598 -5.336 495 HB2 GLU 95 2HB GLU 95 -10.979 4.245 -6.187 496 HB3 GLU 95 3HB GLU 95 -11.390 3.962 -4.495 497 HG2 GLU 95 2HG GLU 95 -11.544 6.459 -4.177 498 HG3 GLU 95 3HG GLU 95 -11.242 6.650 -5.910 499 H GLU 96 H GLU 96 -8.772 3.075 -2.871 500 HA GLU 96 HA GLU 96 -9.229 4.791 -0.605 501 HB2 GLU 96 2HB GLU 96 -8.359 1.906 -1.150 502 HB3 GLU 96 3HB GLU 96 -8.628 2.618 0.391 503 HG2 GLU 96 2HG GLU 96 -11.003 3.235 -0.922 504 HG3 GLU 96 3HG GLU 96 -10.535 1.733 -1.674 505 H LEU 97 H LEU 97 -6.555 2.846 -1.987 506 HA LEU 97 HA LEU 97 -4.527 3.999 -0.269 507 HB2 LEU 97 2HB LEU 97 -4.942 1.645 -1.263 508 HB3 LEU 97 3HB LEU 97 -4.132 2.220 -2.707 509 HG LEU 97 HG LEU 97 -2.886 2.233 0.092 510 HD11 LEU 97 1HD1 LEU 97 -2.617 0.156 -2.128 511 HD12 LEU 97 2HD1 LEU 97 -3.475 -0.077 -0.592 512 HD13 LEU 97 3HD1 LEU 97 -1.725 0.166 -0.590 513 HD21 LEU 97 1HD2 LEU 97 -1.688 3.695 -1.473 514 HD22 LEU 97 2HD2 LEU 97 -1.679 2.402 -2.702 515 HD23 LEU 97 3HD2 LEU 97 -0.744 2.229 -1.209 516 H GLY 98 H GLY 98 -5.612 4.559 -3.678 517 HA2 GLY 98 2HA GLY 98 -3.594 6.707 -4.029 518 HA3 GLY 98 3HA GLY 98 -4.856 6.181 -5.146 519 H GLY 99 H GLY 99 -5.973 6.546 -1.971 520 HA2 GLY 99 2HA GLY 99 -7.918 8.566 -2.685 521 HA3 GLY 99 3HA GLY 99 -7.613 7.912 -1.073 522 HA PRO 100 HA PRO 100 -5.207 11.699 -0.415 523 HB2 PRO 100 2HB PRO 100 -3.412 11.085 1.468 524 HB3 PRO 100 3HB PRO 100 -5.160 10.752 1.706 525 HG2 PRO 100 2HG PRO 100 -3.030 8.778 0.867 526 HG3 PRO 100 3HG PRO 100 -4.263 8.609 2.149 527 HD2 PRO 100 2HD PRO 100 -4.567 7.691 -0.465 528 HD3 PRO 100 3HD PRO 100 -5.925 8.109 0.617 529 H VAL 101 H VAL 101 -3.962 9.651 -2.589 530 HA VAL 101 HA VAL 101 -1.308 10.997 -2.896 531 HB VAL 101 HB VAL 101 -1.885 7.988 -2.904 532 HG11 VAL 101 1HG1 VAL 101 -0.470 8.416 -4.808 533 HG12 VAL 101 2HG1 VAL 101 0.645 9.371 -3.781 534 HG13 VAL 101 3HG1 VAL 101 0.379 7.634 -3.499 535 HG21 VAL 101 1HG2 VAL 101 -0.174 7.919 -1.201 536 HG22 VAL 101 2HG2 VAL 101 0.025 9.693 -1.290 537 HG23 VAL 101 3HG2 VAL 101 -1.480 8.976 -0.698 538 H HIS 102 H HIS 102 -0.573 11.310 -5.021 539 HA HIS 102 HA HIS 102 -2.645 11.136 -7.136 540 HB2 HIS 102 2HB HIS 102 -0.144 12.765 -6.772 541 HB3 HIS 102 3HB HIS 102 -0.783 12.513 -8.370 542 HD1 HIS 102 1HD HIS 102 -3.470 13.354 -8.691 543 HD2 HIS 102 2HD HIS 102 -1.259 14.598 -5.354 544 HE1 HIS 102 1HE HIS 102 -4.685 15.407 -7.773 545 H ALA 103 H ALA 103 0.697 10.036 -6.506 546 HA ALA 103 HA ALA 103 0.506 8.014 -8.684 547 HB1 ALA 103 1HB ALA 103 2.692 8.581 -9.445 548 HB2 ALA 103 2HB ALA 103 1.835 10.138 -9.338 549 HB3 ALA 103 3HB ALA 103 2.978 9.623 -8.057 550 H LEU 104 H LEU 104 1.578 6.059 -8.202 551 HA LEU 104 HA LEU 104 3.179 5.783 -5.839 552 HB2 LEU 104 2HB LEU 104 1.653 4.494 -4.554 553 HB3 LEU 104 3HB LEU 104 0.997 6.074 -4.828 554 HG LEU 104 HG LEU 104 0.047 3.419 -5.940 555 HD11 LEU 104 1HD1 LEU 104 -0.539 4.182 -3.626 556 HD12 LEU 104 2HD1 LEU 104 -1.966 4.015 -4.677 557 HD13 LEU 104 3HD1 LEU 104 -1.298 5.622 -4.306 558 HD21 LEU 104 1HD2 LEU 104 -0.308 4.945 -7.817 559 HD22 LEU 104 2HD2 LEU 104 -0.991 6.181 -6.728 560 HD23 LEU 104 3HD2 LEU 104 -1.844 4.651 -7.013 561 H ALA 105 H ALA 105 3.905 3.736 -5.274 562 HA ALA 105 HA ALA 105 3.400 1.488 -7.152 563 HB1 ALA 105 1HB ALA 105 6.112 2.659 -6.515 564 HB2 ALA 105 2HB ALA 105 5.893 0.991 -7.093 565 HB3 ALA 105 3HB ALA 105 5.371 2.366 -8.083 566 H ILE 106 H ILE 106 3.367 -0.527 -6.274 567 HA ILE 106 HA ILE 106 3.454 -0.665 -3.303 568 HB ILE 106 HB ILE 106 1.387 -1.850 -3.319 569 HG12 ILE 106 2HG1 ILE 106 0.043 -1.539 -5.687 570 HG13 ILE 106 3HG1 ILE 106 1.651 -1.913 -6.289 571 HG21 ILE 106 1HG2 ILE 106 1.403 0.646 -3.210 572 HG22 ILE 106 2HG2 ILE 106 1.011 0.686 -4.942 573 HG23 ILE 106 3HG2 ILE 106 -0.122 -0.045 -3.791 574 HD11 ILE 106 1HD1 ILE 106 0.064 -3.627 -4.328 575 HD12 ILE 106 2HD1 ILE 106 0.203 -3.906 -6.073 576 HD13 ILE 106 3HD1 ILE 106 1.638 -4.042 -5.033 577 H GLN 107 H GLN 107 3.766 -2.660 -2.318 578 HA GLN 107 HA GLN 107 4.182 -5.043 -4.086 579 HB2 GLN 107 2HB GLN 107 5.588 -4.343 -1.474 580 HB3 GLN 107 3HB GLN 107 5.580 -5.955 -2.170 581 HG2 GLN 107 2HG GLN 107 6.725 -3.490 -3.538 582 HG3 GLN 107 3HG GLN 107 7.652 -4.668 -2.630 583 HE21 GLN 107 1HE2 GLN 107 8.654 -4.412 -5.023 584 HE22 GLN 107 2HE2 GLN 107 8.065 -5.619 -6.168 585 H ALA 108 H ALA 108 2.624 -6.517 -3.823 586 HA ALA 108 HA ALA 108 1.115 -6.630 -1.247 587 HB1 ALA 108 1HB ALA 108 0.315 -7.781 -3.935 588 HB2 ALA 108 2HB ALA 108 -0.670 -7.682 -2.463 589 HB3 ALA 108 3HB ALA 108 -0.203 -6.199 -3.322 590 H ARG 109 H ARG 109 1.596 -8.277 0.097 591 HA ARG 109 HA ARG 109 2.971 -10.739 -0.987 592 HB2 ARG 109 2HB ARG 109 3.737 -9.294 1.534 593 HB3 ARG 109 3HB ARG 109 4.570 -10.609 0.812 594 HG2 ARG 109 2HG ARG 109 4.518 -7.700 -0.066 595 HG3 ARG 109 3HG ARG 109 5.851 -8.637 0.592 596 HD2 ARG 109 2HD ARG 109 5.568 -10.073 -1.607 597 HD3 ARG 109 3HD ARG 109 4.736 -8.622 -2.195 598 HE ARG 109 HE ARG 109 7.082 -7.654 -1.091 599 HH11 ARG 109 1HH1 ARG 109 6.407 -9.918 -3.688 600 HH12 ARG 109 2HH1 ARG 109 7.882 -9.495 -4.544 601 HH21 ARG 109 1HH2 ARG 109 8.952 -7.189 -2.267 602 HH22 ARG 109 2HH2 ARG 109 9.262 -8.025 -3.753 603 H THR 110 H THR 110 3.099 -12.573 0.616 604 HA THR 110 HA THR 110 0.763 -12.627 2.471 605 HB THR 110 HB THR 110 1.112 -15.080 2.525 606 HG1 THR 110 1HG THR 110 2.393 -16.008 1.059 607 HG21 THR 110 1HG2 THR 110 0.548 -13.803 -0.164 608 HG22 THR 110 2HG2 THR 110 -0.615 -14.181 1.122 609 HG23 THR 110 3HG2 THR 110 0.219 -15.497 0.265 610 HA PRO 111 HA PRO 111 3.195 -12.316 6.022 611 HB2 PRO 111 2HB PRO 111 1.997 -14.057 7.833 612 HB3 PRO 111 3HB PRO 111 1.393 -12.432 7.386 613 HG2 PRO 111 2HG PRO 111 0.534 -15.104 6.278 614 HG3 PRO 111 3HG PRO 111 -0.494 -13.731 6.783 615 HD2 PRO 111 2HD PRO 111 0.065 -14.111 4.181 616 HD3 PRO 111 3HD PRO 111 0.082 -12.461 4.869 617 H ALA 112 H ALA 112 2.625 -15.858 5.180 618 HA ALA 112 HA ALA 112 5.079 -16.530 6.550 619 HB1 ALA 112 1HB ALA 112 4.703 -18.771 5.642 620 HB2 ALA 112 2HB ALA 112 3.189 -18.106 6.283 621 HB3 ALA 112 3HB ALA 112 3.469 -18.146 4.531 622 H GLN 113 H GLN 113 4.573 -15.264 3.281 623 HA GLN 113 HA GLN 113 7.240 -16.064 2.420 624 HB2 GLN 113 2HB GLN 113 6.792 -15.195 0.485 625 HB3 GLN 113 3HB GLN 113 5.140 -15.081 1.048 626 HG2 GLN 113 2HG GLN 113 5.597 -12.677 1.684 627 HG3 GLN 113 3HG GLN 113 7.209 -12.845 1.000 628 HE21 GLN 113 1HE2 GLN 113 7.362 -12.198 -1.223 629 HE22 GLN 113 2HE2 GLN 113 6.003 -12.323 -2.314 630 H TRP 114 H TRP 114 5.784 -13.138 3.939 631 HA TRP 114 HA TRP 114 8.200 -11.644 4.317 632 HB2 TRP 114 2HB TRP 114 5.851 -10.723 4.707 633 HB3 TRP 114 3HB TRP 114 5.764 -11.689 6.161 634 HD1 TRP 114 HD1 TRP 114 7.254 -10.869 8.218 635 HE1 TRP 114 HE1 TRP 114 8.002 -8.500 8.831 636 HE3 TRP 114 HE3 TRP 114 6.995 -8.705 3.569 637 HZ2 TRP 114 HZ2 TRP 114 7.731 -5.929 7.614 638 HZ3 TRP 114 HZ3 TRP 114 7.186 -6.241 3.341 639 HH2 TRP 114 HH2 TRP 114 7.524 -4.826 5.342 640 H ARG 115 H ARG 115 6.793 -14.260 6.211 641 HA ARG 115 HA ARG 115 8.341 -14.004 8.614 642 HB2 ARG 115 2HB ARG 115 7.007 -16.415 7.298 643 HB3 ARG 115 3HB ARG 115 7.898 -16.555 8.795 644 HG2 ARG 115 2HG ARG 115 6.464 -15.147 9.983 645 HG3 ARG 115 3HG ARG 115 5.632 -14.550 8.596 646 HD2 ARG 115 2HD ARG 115 4.302 -16.074 10.037 647 HD3 ARG 115 3HD ARG 115 4.376 -16.616 8.383 648 HE ARG 115 HE ARG 115 6.459 -17.825 10.042 649 HH11 ARG 115 1HH1 ARG 115 3.069 -18.309 9.081 650 HH12 ARG 115 2HH1 ARG 115 3.205 -20.027 9.400 651 HH21 ARG 115 1HH2 ARG 115 6.478 -19.909 10.372 652 HH22 ARG 115 2HH2 ARG 115 5.130 -20.928 9.901 653 H GLU 116 H GLU 116 9.046 -15.637 5.546 654 HA GLU 116 HA GLU 116 11.726 -16.481 6.535 655 HB2 GLU 116 2HB GLU 116 10.185 -16.885 3.952 656 HB3 GLU 116 3HB GLU 116 11.770 -17.603 4.277 657 HG2 GLU 116 2HG GLU 116 9.206 -18.128 5.863 658 HG3 GLU 116 3HG GLU 116 9.780 -19.115 4.545 659 H ASN 117 H ASN 117 10.655 -14.953 3.492 660 HA ASN 117 HA ASN 117 12.165 -12.613 3.714 661 HB2 ASN 117 2HB ASN 117 14.144 -14.065 3.264 662 HB3 ASN 117 3HB ASN 117 13.397 -14.655 1.790 663 HD21 ASN 117 1HD2 ASN 117 13.398 -13.276 -0.089 664 HD22 ASN 117 2HD2 ASN 117 14.488 -11.896 -0.106 665 H SER 118 H SER 118 10.914 -15.020 1.529 666 HA SER 118 HA SER 118 9.145 -13.462 -0.131 667 HB2 SER 118 2HB SER 118 10.550 -13.755 -2.191 668 HB3 SER 118 3HB SER 118 11.231 -12.616 -1.038 669 HG SER 118 HG SER 118 12.768 -14.010 -1.914 Start of MODEL 12 1 HA PRO 31 HA PRO 31 -0.170 12.209 8.012 2 HB2 PRO 31 2HB PRO 31 1.243 9.790 8.233 3 HB3 PRO 31 3HB PRO 31 1.871 11.421 8.602 4 HG2 PRO 31 2HG PRO 31 0.670 9.393 10.512 5 HG3 PRO 31 3HG PRO 31 2.168 10.365 10.710 6 HD2 PRO 31 2HD PRO 31 -0.029 11.212 11.913 7 HD3 PRO 31 3HD PRO 31 0.932 12.376 10.978 8 H VAL 32 H VAL 32 -1.068 11.439 6.224 9 HA VAL 32 HA VAL 32 -3.395 9.818 6.319 10 HB VAL 32 HB VAL 32 -3.383 9.881 3.863 11 HG11 VAL 32 1HG1 VAL 32 -3.664 12.283 3.639 12 HG12 VAL 32 2HG1 VAL 32 -4.311 11.745 5.194 13 HG13 VAL 32 3HG1 VAL 32 -2.743 12.574 5.126 14 HG21 VAL 32 1HG2 VAL 32 -1.686 11.170 2.641 15 HG22 VAL 32 2HG2 VAL 32 -0.731 11.361 4.121 16 HG23 VAL 32 3HG2 VAL 32 -0.959 9.748 3.403 17 H GLU 33 H GLU 33 -0.101 8.790 6.056 18 HA GLU 33 HA GLU 33 -0.642 6.234 4.766 19 HB2 GLU 33 2HB GLU 33 1.655 5.845 5.059 20 HB3 GLU 33 3HB GLU 33 1.506 7.581 4.841 21 HG2 GLU 33 2HG GLU 33 1.514 7.666 7.466 22 HG3 GLU 33 3HG GLU 33 2.106 6.003 7.330 23 H ALA 34 H ALA 34 -0.569 7.428 8.020 24 HA ALA 34 HA ALA 34 -1.045 4.844 9.335 25 HB1 ALA 34 1HB ALA 34 -0.898 6.145 11.323 26 HB2 ALA 34 2HB ALA 34 0.399 6.643 10.252 27 HB3 ALA 34 3HB ALA 34 -1.043 7.672 10.412 28 H ALA 35 H ALA 35 -2.948 7.709 8.330 29 HA ALA 35 HA ALA 35 -5.497 6.849 9.289 30 HB1 ALA 35 1HB ALA 35 -6.412 8.258 7.537 31 HB2 ALA 35 2HB ALA 35 -5.007 9.070 8.262 32 HB3 ALA 35 3HB ALA 35 -4.886 8.274 6.669 33 H ILE 36 H ILE 36 -3.921 6.049 6.090 34 HA ILE 36 HA ILE 36 -6.008 4.166 5.513 35 HB ILE 36 HB ILE 36 -4.927 3.376 3.656 36 HG12 ILE 36 2HG1 ILE 36 -2.576 4.522 4.894 37 HG13 ILE 36 3HG1 ILE 36 -2.848 2.937 4.126 38 HG21 ILE 36 1HG2 ILE 36 -4.568 6.374 3.692 39 HG22 ILE 36 2HG2 ILE 36 -4.879 5.308 2.293 40 HG23 ILE 36 3HG2 ILE 36 -6.124 5.517 3.521 41 HD11 ILE 36 1HD1 ILE 36 -1.270 4.106 2.808 42 HD12 ILE 36 2HD1 ILE 36 -2.788 4.144 1.888 43 HD13 ILE 36 3HD1 ILE 36 -2.246 5.594 2.769 44 H ARG 37 H ARG 37 -2.646 3.502 6.764 45 HA ARG 37 HA ARG 37 -2.775 0.808 7.369 46 HB2 ARG 37 2HB ARG 37 -1.084 2.473 8.179 47 HB3 ARG 37 3HB ARG 37 -2.177 2.905 9.491 48 HG2 ARG 37 2HG ARG 37 -1.189 0.087 8.988 49 HG3 ARG 37 3HG ARG 37 -0.333 1.272 9.967 50 HD2 ARG 37 2HD ARG 37 -3.138 0.327 10.654 51 HD3 ARG 37 3HD ARG 37 -1.676 -0.452 11.189 52 HE ARG 37 HE ARG 37 -1.190 2.154 11.895 53 HH11 ARG 37 1HH1 ARG 37 -3.630 -0.209 12.889 54 HH12 ARG 37 2HH1 ARG 37 -4.061 0.786 14.262 55 HH21 ARG 37 1HH2 ARG 37 -1.722 3.202 13.642 56 HH22 ARG 37 2HH2 ARG 37 -2.980 2.581 14.733 57 H THR 38 H THR 38 -4.358 3.160 9.522 58 HA THR 38 HA THR 38 -5.986 1.337 10.910 59 HB THR 38 HB THR 38 -6.897 4.149 10.215 60 HG1 THR 38 1HG THR 38 -4.852 4.328 11.025 61 HG21 THR 38 1HG2 THR 38 -7.911 4.052 12.455 62 HG22 THR 38 2HG2 THR 38 -7.319 2.389 12.676 63 HG23 THR 38 3HG2 THR 38 -8.552 2.746 11.452 64 H LYS 39 H LYS 39 -7.067 3.098 7.901 65 HA LYS 39 HA LYS 39 -9.616 1.809 7.707 66 HB2 LYS 39 2HB LYS 39 -8.956 3.851 6.465 67 HB3 LYS 39 3HB LYS 39 -7.803 2.911 5.534 68 HG2 LYS 39 2HG LYS 39 -9.637 3.364 4.152 69 HG3 LYS 39 3HG LYS 39 -9.661 1.646 4.469 70 HD2 LYS 39 2HD LYS 39 -11.357 3.528 6.132 71 HD3 LYS 39 3HD LYS 39 -11.866 3.148 4.497 72 HE2 LYS 39 2HE LYS 39 -11.344 1.035 6.623 73 HE3 LYS 39 3HE LYS 39 -12.919 1.765 6.334 74 HZ1 LYS 39 1HZ LYS 39 -12.875 0.884 4.064 75 HZ2 LYS 39 2HZ LYS 39 -12.702 -0.320 5.137 76 HZ3 LYS 39 3HZ LYS 39 -11.398 0.236 4.287 77 H LEU 40 H LEU 40 -6.484 0.719 6.520 78 HA LEU 40 HA LEU 40 -7.497 -1.485 4.925 79 HB2 LEU 40 2HB LEU 40 -4.782 -0.420 5.743 80 HB3 LEU 40 3HB LEU 40 -4.905 -1.982 4.995 81 HG LEU 40 HG LEU 40 -4.353 0.050 3.494 82 HD11 LEU 40 1HD1 LEU 40 -5.560 -0.974 1.600 83 HD12 LEU 40 2HD1 LEU 40 -6.633 -1.828 2.728 84 HD13 LEU 40 3HD1 LEU 40 -4.898 -2.220 2.668 85 HD21 LEU 40 1HD2 LEU 40 -6.093 1.615 4.061 86 HD22 LEU 40 2HD2 LEU 40 -7.352 0.487 3.494 87 HD23 LEU 40 3HD2 LEU 40 -6.155 1.178 2.373 88 H GLU 41 H GLU 41 -6.063 -1.199 8.223 89 HA GLU 41 HA GLU 41 -6.320 -4.018 8.819 90 HB2 GLU 41 2HB GLU 41 -6.216 -1.572 10.606 91 HB3 GLU 41 3HB GLU 41 -6.352 -3.234 11.197 92 HG2 GLU 41 2HG GLU 41 -4.195 -3.626 9.716 93 HG3 GLU 41 3HG GLU 41 -4.005 -1.887 9.849 94 H GLU 42 H GLU 42 -8.616 -1.266 9.065 95 HA GLU 42 HA GLU 42 -10.762 -2.803 10.183 96 HB2 GLU 42 2HB GLU 42 -10.902 -0.559 10.562 97 HB3 GLU 42 3HB GLU 42 -10.255 -0.111 8.991 98 HG2 GLU 42 2HG GLU 42 -12.271 -0.507 7.887 99 HG3 GLU 42 3HG GLU 42 -13.063 -1.143 9.352 100 H ALA 43 H ALA 43 -9.698 -2.266 6.826 101 HA ALA 43 HA ALA 43 -12.046 -3.496 5.673 102 HB1 ALA 43 1HB ALA 43 -10.788 -3.192 3.570 103 HB2 ALA 43 2HB ALA 43 -10.826 -1.731 4.573 104 HB3 ALA 43 3HB ALA 43 -9.353 -2.711 4.501 105 H LEU 44 H LEU 44 -8.616 -4.683 5.859 106 HA LEU 44 HA LEU 44 -9.683 -7.425 5.400 107 HB2 LEU 44 2HB LEU 44 -8.003 -7.974 3.870 108 HB3 LEU 44 3HB LEU 44 -8.919 -6.624 3.253 109 HG LEU 44 HG LEU 44 -6.314 -6.069 4.708 110 HD11 LEU 44 1HD1 LEU 44 -6.514 -7.051 1.834 111 HD12 LEU 44 2HD1 LEU 44 -5.727 -7.891 3.189 112 HD13 LEU 44 3HD1 LEU 44 -5.061 -6.364 2.603 113 HD21 LEU 44 1HD2 LEU 44 -6.169 -4.268 3.045 114 HD22 LEU 44 2HD2 LEU 44 -7.732 -4.207 3.875 115 HD23 LEU 44 3HD2 LEU 44 -7.636 -4.871 2.234 116 H SER 45 H SER 45 -7.817 -5.567 7.480 117 HA SER 45 HA SER 45 -6.320 -6.038 9.133 118 HB2 SER 45 2HB SER 45 -8.176 -7.185 10.001 119 HB3 SER 45 3HB SER 45 -7.699 -8.659 9.152 120 HG SER 45 HG SER 45 -5.836 -7.380 10.865 121 HA PRO 46 HA PRO 46 -2.991 -7.935 6.337 122 HB2 PRO 46 2HB PRO 46 -1.656 -5.710 7.828 123 HB3 PRO 46 3HB PRO 46 -1.383 -6.193 6.165 124 HG2 PRO 46 2HG PRO 46 -2.816 -4.001 6.897 125 HG3 PRO 46 3HG PRO 46 -3.291 -4.968 5.444 126 HD2 PRO 46 2HD PRO 46 -4.543 -4.869 8.148 127 HD3 PRO 46 3HD PRO 46 -5.300 -5.208 6.575 128 H GLU 47 H GLU 47 -1.093 -9.068 7.083 129 HA GLU 47 HA GLU 47 -0.616 -9.299 9.991 130 HB2 GLU 47 2HB GLU 47 -0.244 -11.095 7.954 131 HB3 GLU 47 3HB GLU 47 1.277 -10.231 7.873 132 HG2 GLU 47 2HG GLU 47 1.955 -11.653 9.346 133 HG3 GLU 47 3HG GLU 47 1.235 -10.590 10.536 134 H VAL 48 H VAL 48 0.561 -7.670 7.023 135 HA VAL 48 HA VAL 48 2.640 -6.286 8.624 136 HB VAL 48 HB VAL 48 3.694 -7.085 6.025 137 HG11 VAL 48 1HG1 VAL 48 4.538 -7.613 8.817 138 HG12 VAL 48 2HG1 VAL 48 5.505 -7.799 7.321 139 HG13 VAL 48 3HG1 VAL 48 4.939 -6.146 7.773 140 HG21 VAL 48 1HG2 VAL 48 4.341 -9.372 6.538 141 HG22 VAL 48 2HG2 VAL 48 3.422 -9.375 8.051 142 HG23 VAL 48 3HG2 VAL 48 2.572 -9.360 6.493 143 H LEU 49 H LEU 49 3.132 -4.292 8.067 144 HA LEU 49 HA LEU 49 2.239 -3.092 5.525 145 HB2 LEU 49 2HB LEU 49 0.320 -3.142 7.188 146 HB3 LEU 49 3HB LEU 49 1.323 -2.212 8.282 147 HG LEU 49 HG LEU 49 -0.417 -0.908 7.300 148 HD11 LEU 49 1HD1 LEU 49 1.777 0.189 7.861 149 HD12 LEU 49 2HD1 LEU 49 0.773 1.050 6.682 150 HD13 LEU 49 3HD1 LEU 49 2.172 0.108 6.127 151 HD21 LEU 49 1HD2 LEU 49 -0.676 -2.034 5.192 152 HD22 LEU 49 2HD2 LEU 49 0.846 -1.323 4.598 153 HD23 LEU 49 3HD2 LEU 49 -0.543 -0.267 5.006 154 H GLU 50 H GLU 50 4.099 -2.012 4.873 155 HA GLU 50 HA GLU 50 5.451 -0.201 6.827 156 HB2 GLU 50 2HB GLU 50 6.870 -2.161 5.039 157 HB3 GLU 50 3HB GLU 50 7.621 -0.906 5.992 158 HG2 GLU 50 2HG GLU 50 6.676 -2.004 8.069 159 HG3 GLU 50 3HG GLU 50 6.178 -3.365 7.051 160 H LEU 51 H LEU 51 5.876 1.725 5.919 161 HA LEU 51 HA LEU 51 5.900 2.111 3.041 162 HB2 LEU 51 2HB LEU 51 3.789 2.922 2.629 163 HB3 LEU 51 3HB LEU 51 3.533 1.503 3.621 164 HG LEU 51 HG LEU 51 3.211 4.377 4.269 165 HD11 LEU 51 1HD1 LEU 51 0.886 3.692 4.818 166 HD12 LEU 51 2HD1 LEU 51 1.322 1.998 4.518 167 HD13 LEU 51 3HD1 LEU 51 1.337 3.161 3.186 168 HD21 LEU 51 1HD2 LEU 51 4.179 3.596 6.341 169 HD22 LEU 51 2HD2 LEU 51 3.233 2.109 6.290 170 HD23 LEU 51 3HD2 LEU 51 2.439 3.666 6.610 171 H ARG 52 H ARG 52 5.964 4.340 2.245 172 HA ARG 52 HA ARG 52 6.619 6.491 4.144 173 HB2 ARG 52 2HB ARG 52 8.683 5.468 2.118 174 HB3 ARG 52 3HB ARG 52 8.752 7.011 2.948 175 HG2 ARG 52 2HG ARG 52 10.148 5.911 4.301 176 HG3 ARG 52 3HG ARG 52 8.655 5.513 5.148 177 HD2 ARG 52 2HD ARG 52 8.632 3.317 3.855 178 HD3 ARG 52 3HD ARG 52 10.185 3.789 3.148 179 HE ARG 52 HE ARG 52 10.293 3.928 6.023 180 HH11 ARG 52 1HH1 ARG 52 10.077 1.426 3.591 181 HH12 ARG 52 2HH1 ARG 52 10.904 0.251 4.604 182 HH21 ARG 52 1HH2 ARG 52 11.576 2.517 7.098 183 HH22 ARG 52 2HH2 ARG 52 11.517 0.811 6.627 184 H ASN 53 H ASN 53 6.439 8.567 3.161 185 HA ASN 53 HA ASN 53 5.621 8.572 0.314 186 HB2 ASN 53 2HB ASN 53 4.319 10.303 0.684 187 HB3 ASN 53 3HB ASN 53 4.309 9.633 2.287 188 HD21 ASN 53 1HD2 ASN 53 3.712 11.576 3.221 189 HD22 ASN 53 2HD2 ASN 53 4.824 12.949 3.342 190 H GLU 54 H GLU 54 6.665 9.546 -1.270 191 HA GLU 54 HA GLU 54 9.545 10.228 -0.776 192 HB2 GLU 54 2HB GLU 54 10.044 9.201 -2.897 193 HB3 GLU 54 3HB GLU 54 9.144 8.069 -1.880 194 HG2 GLU 54 2HG GLU 54 7.042 8.685 -3.133 195 HG3 GLU 54 3HG GLU 54 8.001 9.752 -4.153 196 H SER 55 H SER 55 6.697 11.644 -1.651 197 HA SER 55 HA SER 55 7.079 13.359 -3.734 198 HB2 SER 55 2HB SER 55 5.121 12.856 -2.413 199 HB3 SER 55 3HB SER 55 5.712 13.877 -1.081 200 HG SER 55 HG SER 55 4.923 14.701 -3.707 201 H GLY 56 H GLY 56 8.838 13.701 -0.669 202 HA2 GLY 56 2HA GLY 56 9.519 16.503 -1.013 203 HA3 GLY 56 3HA GLY 56 10.359 15.321 -0.006 204 H GLY 57 H GLY 57 10.576 13.589 -2.624 205 HA2 GLY 57 2HA GLY 57 13.065 14.629 -3.726 206 HA3 GLY 57 3HA GLY 57 12.136 13.220 -4.260 207 H HIS 58 H HIS 58 9.885 15.590 -4.278 208 HA HIS 58 HA HIS 58 10.356 16.364 -7.123 209 HB2 HIS 58 2HB HIS 58 7.748 15.922 -5.605 210 HB3 HIS 58 3HB HIS 58 7.852 16.495 -7.250 211 HD1 HIS 58 1HD HIS 58 8.455 14.655 -9.157 212 HD2 HIS 58 2HD HIS 58 8.627 13.284 -5.175 213 HE1 HIS 58 1HE HIS 58 8.852 12.150 -9.259 214 H ALA 59 H ALA 59 9.684 18.488 -7.758 215 HA ALA 59 HA ALA 59 10.580 20.481 -5.879 216 HB1 ALA 59 1HB ALA 59 10.461 21.963 -7.799 217 HB2 ALA 59 2HB ALA 59 11.156 20.409 -8.289 218 HB3 ALA 59 3HB ALA 59 9.467 20.793 -8.693 219 H VAL 60 H VAL 60 7.934 19.186 -5.275 220 HA VAL 60 HA VAL 60 5.767 20.944 -5.855 221 HB VAL 60 HB VAL 60 4.522 19.530 -4.247 222 HG11 VAL 60 1HG1 VAL 60 4.720 17.422 -5.498 223 HG12 VAL 60 2HG1 VAL 60 4.677 18.839 -6.555 224 HG13 VAL 60 3HG1 VAL 60 6.211 18.001 -6.252 225 HG21 VAL 60 1HG2 VAL 60 5.531 17.575 -3.207 226 HG22 VAL 60 2HG2 VAL 60 7.129 18.012 -3.822 227 HG23 VAL 60 3HG2 VAL 60 6.330 19.031 -2.611 228 HA PRO 61 HA PRO 61 6.220 23.948 -2.644 229 HB2 PRO 61 2HB PRO 61 3.712 24.976 -2.383 230 HB3 PRO 61 3HB PRO 61 4.661 25.161 -3.897 231 HG2 PRO 61 2HG PRO 61 2.586 23.029 -3.251 232 HG3 PRO 61 3HG PRO 61 2.617 24.107 -4.663 233 HD2 PRO 61 2HD PRO 61 3.669 21.619 -4.822 234 HD3 PRO 61 3HD PRO 61 4.510 22.992 -5.598 235 HA PRO 62 HA PRO 62 5.169 22.243 1.404 236 HB2 PRO 62 2HB PRO 62 4.477 25.110 2.071 237 HB3 PRO 62 3HB PRO 62 5.400 23.910 3.039 238 HG2 PRO 62 2HG PRO 62 6.707 25.795 1.616 239 HG3 PRO 62 3HG PRO 62 7.296 24.096 1.602 240 HD2 PRO 62 2HD PRO 62 5.665 25.545 -0.483 241 HD3 PRO 62 3HD PRO 62 7.059 24.442 -0.697 242 H GLY 63 H GLY 63 3.414 21.630 2.571 243 HA2 GLY 63 2HA GLY 63 1.076 21.304 2.988 244 HA3 GLY 63 3HA GLY 63 0.682 22.223 1.530 245 H SER 64 H SER 64 2.733 20.825 -0.173 246 HA SER 64 HA SER 64 0.992 18.794 -1.080 247 HB2 SER 64 2HB SER 64 3.852 19.250 -1.956 248 HB3 SER 64 3HB SER 64 2.579 18.387 -2.838 249 HG SER 64 HG SER 64 2.882 21.109 -2.292 250 H GLU 65 H GLU 65 1.131 16.759 -1.254 251 HA GLU 65 HA GLU 65 3.149 15.013 0.048 252 HB2 GLU 65 2HB GLU 65 1.512 15.934 1.741 253 HB3 GLU 65 3HB GLU 65 0.206 15.114 0.893 254 HG2 GLU 65 2HG GLU 65 1.046 12.964 1.521 255 HG3 GLU 65 3HG GLU 65 2.653 13.615 1.881 256 H THR 66 H THR 66 3.142 14.865 -2.547 257 HA THR 66 HA THR 66 0.688 13.916 -3.733 258 HB THR 66 HB THR 66 1.832 14.247 -5.851 259 HG1 THR 66 1HG THR 66 3.893 14.569 -6.045 260 HG21 THR 66 1HG2 THR 66 1.104 16.348 -4.670 261 HG22 THR 66 2HG2 THR 66 2.480 16.561 -5.777 262 HG23 THR 66 3HG2 THR 66 2.765 16.496 -4.033 263 H HIS 67 H HIS 67 3.488 12.269 -2.643 264 HA HIS 67 HA HIS 67 3.296 10.160 -4.749 265 HB2 HIS 67 2HB HIS 67 5.064 12.336 -4.567 266 HB3 HIS 67 3HB HIS 67 5.979 11.030 -3.911 267 HD1 HIS 67 1HD HIS 67 7.125 9.586 -6.022 268 HD2 HIS 67 2HD HIS 67 3.677 11.832 -6.846 269 HE1 HIS 67 1HE HIS 67 6.886 9.558 -8.537 270 H PHE 68 H PHE 68 3.457 8.124 -4.033 271 HA PHE 68 HA PHE 68 4.480 7.688 -1.262 272 HB2 PHE 68 2HB PHE 68 1.945 8.068 -1.883 273 HB3 PHE 68 3HB PHE 68 2.046 6.491 -2.549 274 HD1 PHE 68 1HD PHE 68 3.572 7.590 0.744 275 HD2 PHE 68 2HD PHE 68 0.395 5.496 -1.290 276 HE1 PHE 68 1HE PHE 68 2.706 6.776 2.931 277 HE2 PHE 68 2HE PHE 68 -0.475 4.724 0.860 278 HZ PHE 68 HZ PHE 68 0.658 5.383 2.988 279 H ARG 69 H ARG 69 5.115 5.630 -0.551 280 HA ARG 69 HA ARG 69 5.185 3.441 -2.513 281 HB2 ARG 69 2HB ARG 69 7.477 4.826 -2.200 282 HB3 ARG 69 3HB ARG 69 7.607 3.830 -0.756 283 HG2 ARG 69 2HG ARG 69 8.758 2.650 -2.497 284 HG3 ARG 69 3HG ARG 69 7.235 1.792 -2.258 285 HD2 ARG 69 2HD ARG 69 7.425 1.954 -4.612 286 HD3 ARG 69 3HD ARG 69 6.292 3.201 -4.185 287 HE ARG 69 HE ARG 69 8.230 4.851 -4.271 288 HH11 ARG 69 1HH1 ARG 69 8.543 1.961 -6.236 289 HH12 ARG 69 2HH1 ARG 69 9.287 2.853 -7.544 290 HH21 ARG 69 1HH2 ARG 69 9.095 5.873 -5.861 291 HH22 ARG 69 2HH2 ARG 69 9.606 5.079 -7.353 292 H VAL 70 H VAL 70 4.503 1.558 -1.738 293 HA VAL 70 HA VAL 70 4.215 1.256 1.236 294 HB VAL 70 HB VAL 70 2.059 0.541 -0.778 295 HG11 VAL 70 1HG1 VAL 70 0.621 0.477 1.314 296 HG12 VAL 70 2HG1 VAL 70 1.822 -0.801 1.189 297 HG13 VAL 70 3HG1 VAL 70 2.115 0.552 2.272 298 HG21 VAL 70 1HG2 VAL 70 2.223 3.012 0.980 299 HG22 VAL 70 2HG2 VAL 70 2.190 2.958 -0.791 300 HG23 VAL 70 3HG2 VAL 70 0.768 2.463 0.120 301 H ALA 71 H ALA 71 4.380 -0.688 2.132 302 HA ALA 71 HA ALA 71 4.324 -3.086 0.334 303 HB1 ALA 71 1HB ALA 71 5.734 -4.287 1.914 304 HB2 ALA 71 2HB ALA 71 6.578 -2.858 1.292 305 HB3 ALA 71 3HB ALA 71 5.886 -2.841 2.932 306 H VAL 72 H VAL 72 2.652 -4.346 0.654 307 HA VAL 72 HA VAL 72 1.129 -4.275 3.212 308 HB VAL 72 HB VAL 72 -0.917 -4.721 1.588 309 HG11 VAL 72 1HG1 VAL 72 -0.932 -2.993 3.194 310 HG12 VAL 72 2HG1 VAL 72 0.189 -1.990 2.254 311 HG13 VAL 72 3HG1 VAL 72 -1.461 -2.294 1.660 312 HG21 VAL 72 1HG2 VAL 72 -0.957 -3.408 -0.432 313 HG22 VAL 72 2HG2 VAL 72 0.709 -2.849 -0.180 314 HG23 VAL 72 3HG2 VAL 72 0.380 -4.555 -0.547 315 H VAL 73 H VAL 73 1.184 -6.275 4.088 316 HA VAL 73 HA VAL 73 1.186 -8.625 2.217 317 HB VAL 73 HB VAL 73 2.615 -8.234 4.750 318 HG11 VAL 73 1HG1 VAL 73 2.158 -10.630 4.145 319 HG12 VAL 73 2HG1 VAL 73 3.200 -10.369 2.717 320 HG13 VAL 73 3HG1 VAL 73 3.853 -10.202 4.351 321 HG21 VAL 73 1HG2 VAL 73 4.702 -8.260 3.186 322 HG22 VAL 73 2HG2 VAL 73 3.543 -7.671 1.976 323 HG23 VAL 73 3HG2 VAL 73 3.812 -6.764 3.467 324 H SER 74 H SER 74 -0.379 -10.078 2.549 325 HA SER 74 HA SER 74 -1.754 -10.288 5.174 326 HB2 SER 74 2HB SER 74 -2.814 -8.373 4.051 327 HB3 SER 74 3HB SER 74 -3.109 -9.357 2.607 328 HG SER 74 HG SER 74 -4.104 -10.006 5.207 329 H SER 75 H SER 75 -3.165 -12.010 5.437 330 HA SER 75 HA SER 75 -2.836 -14.413 3.847 331 HB2 SER 75 2HB SER 75 -4.645 -15.241 5.405 332 HB3 SER 75 3HB SER 75 -3.199 -14.604 6.219 333 HG SER 75 HG SER 75 -5.047 -13.722 7.179 334 H ARG 76 H ARG 76 -4.906 -11.627 3.536 335 HA ARG 76 HA ARG 76 -6.926 -13.025 1.931 336 HB2 ARG 76 2HB ARG 76 -6.248 -10.090 2.449 337 HB3 ARG 76 3HB ARG 76 -7.235 -10.494 1.074 338 HG2 ARG 76 2HG ARG 76 -8.793 -9.971 2.615 339 HG3 ARG 76 3HG ARG 76 -8.825 -11.727 2.637 340 HD2 ARG 76 2HD ARG 76 -7.078 -10.224 4.610 341 HD3 ARG 76 3HD ARG 76 -8.834 -10.206 4.834 342 HE ARG 76 HE ARG 76 -8.138 -12.902 4.499 343 HH11 ARG 76 1HH1 ARG 76 -7.656 -10.330 6.847 344 HH12 ARG 76 2HH1 ARG 76 -7.439 -11.465 8.159 345 HH21 ARG 76 1HH2 ARG 76 -7.888 -14.260 6.249 346 HH22 ARG 76 2HH2 ARG 76 -7.919 -13.593 7.871 347 H PHE 77 H PHE 77 -3.722 -12.052 1.198 348 HA PHE 77 HA PHE 77 -4.263 -11.957 -1.703 349 HB2 PHE 77 2HB PHE 77 -1.766 -11.431 -0.063 350 HB3 PHE 77 3HB PHE 77 -1.930 -11.201 -1.784 351 HD1 PHE 77 1HD PHE 77 -0.845 -9.107 -0.162 352 HD2 PHE 77 2HD PHE 77 -4.984 -9.897 -1.087 353 HE1 PHE 77 1HE PHE 77 -1.384 -6.724 0.211 354 HE2 PHE 77 2HE PHE 77 -5.519 -7.517 -0.672 355 HZ PHE 77 HZ PHE 77 -3.723 -5.922 -0.040 356 H GLU 78 H GLU 78 -4.466 -14.507 -0.058 357 HA GLU 78 HA GLU 78 -2.184 -16.107 -0.972 358 HB2 GLU 78 2HB GLU 78 -4.682 -16.816 0.619 359 HB3 GLU 78 3HB GLU 78 -3.455 -18.000 0.127 360 HG2 GLU 78 2HG GLU 78 -1.719 -16.636 1.226 361 HG3 GLU 78 3HG GLU 78 -2.994 -15.570 1.863 362 H GLY 79 H GLY 79 -2.190 -17.914 -2.214 363 HA2 GLY 79 2HA GLY 79 -3.025 -19.649 -3.425 364 HA3 GLY 79 3HA GLY 79 -4.635 -19.021 -3.062 365 H LEU 80 H LEU 80 -3.469 -16.499 -4.511 366 HA LEU 80 HA LEU 80 -3.803 -17.243 -7.367 367 HB2 LEU 80 2HB LEU 80 -4.102 -14.668 -7.428 368 HB3 LEU 80 3HB LEU 80 -5.426 -15.640 -6.914 369 HG LEU 80 HG LEU 80 -5.017 -14.971 -4.715 370 HD11 LEU 80 1HD1 LEU 80 -2.604 -14.794 -4.503 371 HD12 LEU 80 2HD1 LEU 80 -3.322 -13.235 -4.099 372 HD13 LEU 80 3HD1 LEU 80 -2.571 -13.472 -5.695 373 HD21 LEU 80 1HD2 LEU 80 -4.831 -12.490 -6.414 374 HD22 LEU 80 2HD2 LEU 80 -5.490 -12.621 -4.764 375 HD23 LEU 80 3HD2 LEU 80 -6.314 -13.434 -6.101 376 H SER 81 H SER 81 -2.493 -15.649 -8.809 377 HA SER 81 HA SER 81 0.309 -15.992 -8.348 378 HB2 SER 81 2HB SER 81 -0.557 -16.047 -10.544 379 HB3 SER 81 3HB SER 81 -1.348 -14.468 -10.375 380 HG SER 81 HG SER 81 0.869 -14.881 -11.473 381 HA PRO 82 HA PRO 82 1.816 -12.060 -6.476 382 HB2 PRO 82 2HB PRO 82 3.628 -12.318 -8.891 383 HB3 PRO 82 3HB PRO 82 4.036 -11.778 -7.234 384 HG2 PRO 82 2HG PRO 82 4.560 -14.317 -7.969 385 HG3 PRO 82 3HG PRO 82 3.791 -13.992 -6.379 386 HD2 PRO 82 2HD PRO 82 2.519 -14.935 -8.940 387 HD3 PRO 82 3HD PRO 82 2.224 -15.478 -7.262 388 H LEU 83 H LEU 83 1.441 -12.346 -10.038 389 HA LEU 83 HA LEU 83 1.056 -9.547 -10.552 390 HB2 LEU 83 2HB LEU 83 1.798 -11.227 -12.200 391 HB3 LEU 83 3HB LEU 83 0.243 -12.031 -12.139 392 HG LEU 83 HG LEU 83 0.742 -10.595 -14.142 393 HD11 LEU 83 1HD1 LEU 83 -1.572 -11.279 -13.568 394 HD12 LEU 83 2HD1 LEU 83 -1.470 -9.749 -14.442 395 HD13 LEU 83 3HD1 LEU 83 -1.795 -9.740 -12.705 396 HD21 LEU 83 1HD2 LEU 83 0.444 -8.203 -14.051 397 HD22 LEU 83 2HD2 LEU 83 1.777 -8.679 -12.988 398 HD23 LEU 83 3HD2 LEU 83 0.193 -8.240 -12.298 399 H GLN 84 H GLN 84 -1.247 -12.225 -9.903 400 HA GLN 84 HA GLN 84 -3.579 -10.589 -10.287 401 HB2 GLN 84 2HB GLN 84 -3.481 -13.116 -10.409 402 HB3 GLN 84 3HB GLN 84 -3.425 -13.110 -8.641 403 HG2 GLN 84 2HG GLN 84 -5.607 -11.786 -8.675 404 HG3 GLN 84 3HG GLN 84 -5.631 -11.970 -10.432 405 HE21 GLN 84 1HE2 GLN 84 -4.729 -14.950 -10.223 406 HE22 GLN 84 2HE2 GLN 84 -6.145 -15.708 -9.537 407 H ARG 85 H ARG 85 -1.638 -11.285 -7.291 408 HA ARG 85 HA ARG 85 -3.501 -9.765 -5.619 409 HB2 ARG 85 2HB ARG 85 -1.757 -9.757 -3.889 410 HB3 ARG 85 3HB ARG 85 -2.153 -11.359 -4.492 411 HG2 ARG 85 2HG ARG 85 -0.120 -11.377 -5.860 412 HG3 ARG 85 3HG ARG 85 0.300 -9.752 -5.324 413 HD2 ARG 85 2HD ARG 85 1.625 -11.308 -4.065 414 HD3 ARG 85 3HD ARG 85 0.420 -10.647 -2.963 415 HE ARG 85 HE ARG 85 -0.805 -12.756 -3.062 416 HH11 ARG 85 1HH1 ARG 85 2.539 -13.161 -4.298 417 HH12 ARG 85 2HH1 ARG 85 2.259 -14.893 -4.311 418 HH21 ARG 85 1HH2 ARG 85 -0.794 -14.865 -2.934 419 HH22 ARG 85 2HH2 ARG 85 0.547 -15.787 -3.615 420 H HIS 86 H HIS 86 -0.522 -8.802 -7.353 421 HA HIS 86 HA HIS 86 -0.608 -6.043 -6.532 422 HB2 HIS 86 2HB HIS 86 0.642 -7.691 -8.671 423 HB3 HIS 86 3HB HIS 86 0.441 -5.967 -9.049 424 HD1 HIS 86 1HD HIS 86 2.659 -4.757 -8.480 425 HD2 HIS 86 2HD HIS 86 1.700 -7.905 -5.868 426 HE1 HIS 86 1HE HIS 86 4.454 -4.761 -6.666 427 H ARG 87 H ARG 87 -2.159 -7.661 -9.382 428 HA ARG 87 HA ARG 87 -3.685 -5.363 -10.168 429 HB2 ARG 87 2HB ARG 87 -4.022 -8.345 -10.633 430 HB3 ARG 87 3HB ARG 87 -5.177 -7.186 -11.253 431 HG2 ARG 87 2HG ARG 87 -2.203 -7.263 -11.934 432 HG3 ARG 87 3HG ARG 87 -3.531 -7.788 -12.967 433 HD2 ARG 87 2HD ARG 87 -2.890 -4.943 -12.095 434 HD3 ARG 87 3HD ARG 87 -2.771 -5.623 -13.716 435 HE ARG 87 HE ARG 87 -5.437 -6.012 -13.056 436 HH11 ARG 87 1HH1 ARG 87 -3.480 -3.076 -13.261 437 HH12 ARG 87 2HH1 ARG 87 -4.897 -2.097 -13.554 438 HH21 ARG 87 1HH2 ARG 87 -7.062 -4.809 -13.431 439 HH22 ARG 87 2HH2 ARG 87 -6.920 -3.080 -13.762 440 H LEU 88 H LEU 88 -4.533 -7.853 -7.765 441 HA LEU 88 HA LEU 88 -7.156 -6.976 -7.197 442 HB2 LEU 88 2HB LEU 88 -5.815 -8.977 -6.311 443 HB3 LEU 88 3HB LEU 88 -5.138 -7.908 -5.107 444 HG LEU 88 HG LEU 88 -8.113 -8.479 -5.417 445 HD11 LEU 88 1HD1 LEU 88 -7.787 -9.934 -3.434 446 HD12 LEU 88 2HD1 LEU 88 -6.034 -9.632 -3.500 447 HD13 LEU 88 3HD1 LEU 88 -6.854 -10.502 -4.818 448 HD21 LEU 88 1HD2 LEU 88 -6.519 -7.135 -3.182 449 HD22 LEU 88 2HD2 LEU 88 -8.221 -7.649 -3.056 450 HD23 LEU 88 3HD2 LEU 88 -7.777 -6.388 -4.193 451 H VAL 89 H VAL 89 -4.062 -5.882 -5.686 452 HA VAL 89 HA VAL 89 -5.272 -3.732 -4.218 453 HB VAL 89 HB VAL 89 -2.415 -3.937 -5.251 454 HG11 VAL 89 1HG1 VAL 89 -3.611 -2.040 -3.174 455 HG12 VAL 89 2HG1 VAL 89 -1.875 -2.277 -3.463 456 HG13 VAL 89 3HG1 VAL 89 -2.878 -1.574 -4.723 457 HG21 VAL 89 1HG2 VAL 89 -3.696 -4.527 -2.541 458 HG22 VAL 89 2HG2 VAL 89 -3.003 -5.719 -3.664 459 HG23 VAL 89 3HG2 VAL 89 -1.953 -4.536 -2.875 460 H HIS 90 H HIS 90 -4.045 -3.787 -7.529 461 HA HIS 90 HA HIS 90 -4.235 -0.923 -7.894 462 HB2 HIS 90 2HB HIS 90 -3.903 -3.170 -9.919 463 HB3 HIS 90 3HB HIS 90 -3.788 -1.464 -10.296 464 HD1 HIS 90 1HD HIS 90 -1.351 -2.601 -11.201 465 HD2 HIS 90 2HD HIS 90 -1.900 -1.859 -7.091 466 HE1 HIS 90 1HE HIS 90 0.977 -2.541 -10.157 467 H ALA 91 H ALA 91 -6.460 -3.610 -8.769 468 HA ALA 91 HA ALA 91 -8.300 -1.676 -10.017 469 HB1 ALA 91 1HB ALA 91 -8.599 -4.658 -9.434 470 HB2 ALA 91 2HB ALA 91 -9.704 -3.663 -10.411 471 HB3 ALA 91 3HB ALA 91 -8.042 -3.944 -10.961 472 H ALA 92 H ALA 92 -8.359 -3.778 -7.073 473 HA ALA 92 HA ALA 92 -10.890 -2.559 -6.311 474 HB1 ALA 92 1HB ALA 92 -10.371 -4.999 -6.052 475 HB2 ALA 92 2HB ALA 92 -9.202 -4.568 -4.778 476 HB3 ALA 92 3HB ALA 92 -10.923 -4.214 -4.563 477 H LEU 93 H LEU 93 -7.454 -2.041 -5.298 478 HA LEU 93 HA LEU 93 -8.557 -0.302 -3.101 479 HB2 LEU 93 2HB LEU 93 -6.220 -2.122 -3.233 480 HB3 LEU 93 3HB LEU 93 -5.955 -0.585 -2.429 481 HG LEU 93 HG LEU 93 -7.530 -0.997 -0.746 482 HD11 LEU 93 1HD1 LEU 93 -9.420 -1.952 -1.878 483 HD12 LEU 93 2HD1 LEU 93 -8.907 -3.083 -0.633 484 HD13 LEU 93 3HD1 LEU 93 -8.493 -3.410 -2.330 485 HD21 LEU 93 1HD2 LEU 93 -5.367 -2.213 -0.576 486 HD22 LEU 93 2HD2 LEU 93 -6.120 -3.637 -1.333 487 HD23 LEU 93 3HD2 LEU 93 -6.684 -3.066 0.252 488 H ALA 94 H ALA 94 -7.531 0.234 -6.218 489 HA ALA 94 HA ALA 94 -5.550 2.194 -5.708 490 HB1 ALA 94 1HB ALA 94 -6.261 3.070 -8.030 491 HB2 ALA 94 2HB ALA 94 -5.658 1.427 -7.885 492 HB3 ALA 94 3HB ALA 94 -7.411 1.721 -8.042 493 H GLU 95 H GLU 95 -9.136 2.743 -5.746 494 HA GLU 95 HA GLU 95 -8.683 5.577 -5.089 495 HB2 GLU 95 2HB GLU 95 -11.176 3.852 -4.874 496 HB3 GLU 95 3HB GLU 95 -11.129 5.592 -4.577 497 HG2 GLU 95 2HG GLU 95 -10.324 5.922 -6.941 498 HG3 GLU 95 3HG GLU 95 -10.622 4.200 -7.225 499 H GLU 96 H GLU 96 -8.694 2.643 -3.076 500 HA GLU 96 HA GLU 96 -9.523 3.967 -0.695 501 HB2 GLU 96 2HB GLU 96 -8.359 1.247 -1.423 502 HB3 GLU 96 3HB GLU 96 -9.044 1.731 0.081 503 HG2 GLU 96 2HG GLU 96 -11.099 2.403 -1.648 504 HG3 GLU 96 3HG GLU 96 -10.386 1.042 -2.460 505 H LEU 97 H LEU 97 -6.521 2.531 -2.006 506 HA LEU 97 HA LEU 97 -4.802 3.678 0.082 507 HB2 LEU 97 2HB LEU 97 -4.856 1.315 -1.042 508 HB3 LEU 97 3HB LEU 97 -3.993 2.074 -2.363 509 HG LEU 97 HG LEU 97 -2.303 2.874 -0.501 510 HD11 LEU 97 1HD1 LEU 97 -3.782 2.122 1.418 511 HD12 LEU 97 2HD1 LEU 97 -2.160 1.408 1.446 512 HD13 LEU 97 3HD1 LEU 97 -3.548 0.451 0.886 513 HD21 LEU 97 1HD2 LEU 97 -1.763 1.226 -2.241 514 HD22 LEU 97 2HD2 LEU 97 -2.519 -0.066 -1.286 515 HD23 LEU 97 3HD2 LEU 97 -1.054 0.751 -0.689 516 H GLY 98 H GLY 98 -5.452 4.187 -3.450 517 HA2 GLY 98 2HA GLY 98 -3.326 6.187 -3.684 518 HA3 GLY 98 3HA GLY 98 -4.476 5.675 -4.906 519 H GLY 99 H GLY 99 -6.069 6.172 -1.989 520 HA2 GLY 99 2HA GLY 99 -7.895 8.043 -3.031 521 HA3 GLY 99 3HA GLY 99 -7.676 7.654 -1.319 522 HA PRO 100 HA PRO 100 -5.934 11.555 -0.713 523 HB2 PRO 100 2HB PRO 100 -4.066 11.361 1.221 524 HB3 PRO 100 3HB PRO 100 -5.731 10.694 1.406 525 HG2 PRO 100 2HG PRO 100 -3.257 9.145 0.636 526 HG3 PRO 100 3HG PRO 100 -4.437 8.785 1.933 527 HD2 PRO 100 2HD PRO 100 -4.631 7.706 -0.589 528 HD3 PRO 100 3HD PRO 100 -6.056 8.078 0.418 529 H VAL 101 H VAL 101 -3.736 9.620 -2.527 530 HA VAL 101 HA VAL 101 -1.687 11.696 -2.801 531 HB VAL 101 HB VAL 101 -0.392 9.775 -3.574 532 HG11 VAL 101 1HG1 VAL 101 -1.695 9.199 -0.898 533 HG12 VAL 101 2HG1 VAL 101 -0.133 8.618 -1.428 534 HG13 VAL 101 3HG1 VAL 101 -0.364 10.360 -1.154 535 HG21 VAL 101 1HG2 VAL 101 -2.672 7.999 -2.741 536 HG22 VAL 101 2HG2 VAL 101 -2.225 8.330 -4.438 537 HG23 VAL 101 3HG2 VAL 101 -1.094 7.504 -3.360 538 H HIS 102 H HIS 102 -0.626 11.847 -4.898 539 HA HIS 102 HA HIS 102 -2.496 11.759 -7.220 540 HB2 HIS 102 2HB HIS 102 0.154 13.156 -6.745 541 HB3 HIS 102 3HB HIS 102 -0.670 13.123 -8.285 542 HD1 HIS 102 1HD HIS 102 -2.887 14.632 -8.508 543 HD2 HIS 102 2HD HIS 102 -0.961 14.683 -4.788 544 HE1 HIS 102 1HE HIS 102 -3.884 16.608 -7.223 545 H ALA 103 H ALA 103 0.533 10.364 -5.983 546 HA ALA 103 HA ALA 103 0.369 8.255 -8.043 547 HB1 ALA 103 1HB ALA 103 2.956 9.562 -7.340 548 HB2 ALA 103 2HB ALA 103 2.658 8.415 -8.635 549 HB3 ALA 103 3HB ALA 103 2.016 10.073 -8.777 550 H LEU 104 H LEU 104 1.298 6.283 -7.442 551 HA LEU 104 HA LEU 104 2.851 5.991 -5.097 552 HB2 LEU 104 2HB LEU 104 1.501 4.679 -3.799 553 HB3 LEU 104 3HB LEU 104 0.589 6.146 -4.104 554 HG LEU 104 HG LEU 104 0.033 3.386 -5.264 555 HD11 LEU 104 1HD1 LEU 104 -1.283 5.114 -3.121 556 HD12 LEU 104 2HD1 LEU 104 -0.409 3.597 -2.874 557 HD13 LEU 104 3HD1 LEU 104 -1.948 3.578 -3.750 558 HD21 LEU 104 1HD2 LEU 104 -0.742 5.072 -6.870 559 HD22 LEU 104 2HD2 LEU 104 -1.515 6.006 -5.566 560 HD23 LEU 104 3HD2 LEU 104 -2.126 4.397 -6.010 561 H ALA 105 H ALA 105 3.953 4.091 -4.914 562 HA ALA 105 HA ALA 105 3.242 1.865 -6.779 563 HB1 ALA 105 1HB ALA 105 5.705 1.386 -6.980 564 HB2 ALA 105 2HB ALA 105 5.079 2.809 -7.840 565 HB3 ALA 105 3HB ALA 105 5.973 3.032 -6.346 566 H ILE 106 H ILE 106 3.371 -0.216 -6.053 567 HA ILE 106 HA ILE 106 3.527 -0.483 -3.106 568 HB ILE 106 HB ILE 106 1.469 -1.637 -3.082 569 HG12 ILE 106 2HG1 ILE 106 0.016 -1.393 -5.346 570 HG13 ILE 106 3HG1 ILE 106 1.595 -1.622 -6.076 571 HG21 ILE 106 1HG2 ILE 106 1.455 0.862 -2.982 572 HG22 ILE 106 2HG2 ILE 106 1.016 0.887 -4.704 573 HG23 ILE 106 3HG2 ILE 106 -0.073 0.145 -3.529 574 HD11 ILE 106 1HD1 ILE 106 0.343 -3.741 -5.839 575 HD12 ILE 106 2HD1 ILE 106 1.812 -3.802 -4.860 576 HD13 ILE 106 3HD1 ILE 106 0.242 -3.498 -4.087 577 H GLN 107 H GLN 107 3.994 -2.444 -2.224 578 HA GLN 107 HA GLN 107 4.517 -4.783 -4.029 579 HB2 GLN 107 2HB GLN 107 5.924 -3.844 -1.499 580 HB3 GLN 107 3HB GLN 107 5.905 -5.532 -1.963 581 HG2 GLN 107 2HG GLN 107 7.886 -4.877 -2.896 582 HG3 GLN 107 3HG GLN 107 6.805 -4.764 -4.268 583 HE21 GLN 107 1HE2 GLN 107 6.882 -2.830 -5.401 584 HE22 GLN 107 2HE2 GLN 107 7.656 -1.365 -4.787 585 H ALA 108 H ALA 108 2.740 -6.064 -3.933 586 HA ALA 108 HA ALA 108 1.317 -6.428 -1.340 587 HB1 ALA 108 1HB ALA 108 -0.546 -7.250 -2.651 588 HB2 ALA 108 2HB ALA 108 -0.017 -5.670 -3.256 589 HB3 ALA 108 3HB ALA 108 0.409 -7.145 -4.141 590 H ARG 109 H ARG 109 1.664 -8.246 -0.162 591 HA ARG 109 HA ARG 109 2.616 -10.785 -1.479 592 HB2 ARG 109 2HB ARG 109 4.147 -9.107 0.547 593 HB3 ARG 109 3HB ARG 109 4.416 -10.811 0.406 594 HG2 ARG 109 2HG ARG 109 6.020 -10.120 -1.049 595 HG3 ARG 109 3HG ARG 109 4.698 -10.269 -2.186 596 HD2 ARG 109 2HD ARG 109 4.426 -7.651 -1.237 597 HD3 ARG 109 3HD ARG 109 6.156 -7.873 -1.214 598 HE ARG 109 HE ARG 109 4.353 -8.075 -3.605 599 HH11 ARG 109 1HH1 ARG 109 7.723 -8.237 -2.579 600 HH12 ARG 109 2HH1 ARG 109 8.245 -7.579 -4.126 601 HH21 ARG 109 1HH2 ARG 109 5.166 -7.353 -5.526 602 HH22 ARG 109 2HH2 ARG 109 6.883 -7.166 -5.706 603 H THR 110 H THR 110 3.134 -12.501 0.319 604 HA THR 110 HA THR 110 0.931 -12.511 2.345 605 HB THR 110 HB THR 110 0.700 -14.889 2.078 606 HG1 THR 110 1HG THR 110 2.246 -15.926 1.354 607 HG21 THR 110 1HG2 THR 110 0.686 -13.623 -0.677 608 HG22 THR 110 2HG2 THR 110 -0.616 -13.491 0.532 609 HG23 THR 110 3HG2 THR 110 -0.185 -15.070 -0.151 610 HA PRO 111 HA PRO 111 3.710 -12.767 5.522 611 HB2 PRO 111 2HB PRO 111 2.782 -14.595 7.385 612 HB3 PRO 111 3HB PRO 111 2.101 -12.969 7.094 613 HG2 PRO 111 2HG PRO 111 1.159 -15.602 5.931 614 HG3 PRO 111 3HG PRO 111 0.169 -14.303 6.674 615 HD2 PRO 111 2HD PRO 111 0.381 -14.505 4.013 616 HD3 PRO 111 3HD PRO 111 0.455 -12.891 4.775 617 H ALA 112 H ALA 112 3.151 -16.254 4.447 618 HA ALA 112 HA ALA 112 5.540 -17.068 5.810 619 HB1 ALA 112 1HB ALA 112 3.649 -18.581 5.213 620 HB2 ALA 112 2HB ALA 112 4.165 -18.501 3.508 621 HB3 ALA 112 3HB ALA 112 5.238 -19.198 4.730 622 H GLN 113 H GLN 113 5.177 -15.503 2.728 623 HA GLN 113 HA GLN 113 8.009 -16.003 1.927 624 HB2 GLN 113 2HB GLN 113 7.515 -14.569 0.035 625 HB3 GLN 113 3HB GLN 113 6.537 -16.030 0.134 626 HG2 GLN 113 2HG GLN 113 4.660 -14.718 1.035 627 HG3 GLN 113 3HG GLN 113 5.623 -13.239 0.898 628 HE21 GLN 113 1HE2 GLN 113 4.990 -16.032 -1.383 629 HE22 GLN 113 2HE2 GLN 113 4.665 -14.980 -2.741 630 H TRP 114 H TRP 114 6.028 -13.253 3.345 631 HA TRP 114 HA TRP 114 8.351 -11.565 3.621 632 HB2 TRP 114 2HB TRP 114 5.995 -10.809 4.179 633 HB3 TRP 114 3HB TRP 114 6.067 -11.812 5.616 634 HD1 TRP 114 HD1 TRP 114 7.713 -10.947 7.552 635 HE1 TRP 114 HE1 TRP 114 8.440 -8.561 8.156 636 HE3 TRP 114 HE3 TRP 114 6.992 -8.656 3.012 637 HZ2 TRP 114 HZ2 TRP 114 7.738 -5.978 7.114 638 HZ3 TRP 114 HZ3 TRP 114 6.957 -6.172 2.876 639 HH2 TRP 114 HH2 TRP 114 7.293 -4.803 4.925 640 H ARG 115 H ARG 115 7.254 -14.285 5.576 641 HA ARG 115 HA ARG 115 8.994 -13.863 7.857 642 HB2 ARG 115 2HB ARG 115 7.440 -16.302 6.907 643 HB3 ARG 115 3HB ARG 115 8.247 -16.212 8.464 644 HG2 ARG 115 2HG ARG 115 6.320 -13.980 7.887 645 HG3 ARG 115 3HG ARG 115 5.633 -15.599 8.039 646 HD2 ARG 115 2HD ARG 115 5.518 -14.489 10.110 647 HD3 ARG 115 3HD ARG 115 6.634 -15.848 10.256 648 HE ARG 115 HE ARG 115 7.411 -12.940 10.052 649 HH11 ARG 115 1HH1 ARG 115 8.273 -16.147 11.335 650 HH12 ARG 115 2HH1 ARG 115 9.536 -15.397 12.317 651 HH21 ARG 115 1HH2 ARG 115 9.240 -12.264 11.154 652 HH22 ARG 115 2HH2 ARG 115 10.014 -13.433 12.222 653 H GLU 116 H GLU 116 9.224 -16.056 5.069 654 HA GLU 116 HA GLU 116 11.832 -17.088 5.970 655 HB2 GLU 116 2HB GLU 116 10.111 -17.582 3.512 656 HB3 GLU 116 3HB GLU 116 11.728 -18.259 3.724 657 HG2 GLU 116 2HG GLU 116 10.833 -19.159 6.012 658 HG3 GLU 116 3HG GLU 116 9.233 -18.870 5.324 659 H ASN 117 H ASN 117 10.725 -14.586 3.668 660 HA ASN 117 HA ASN 117 13.552 -14.359 2.710 661 HB2 ASN 117 2HB ASN 117 11.875 -15.897 1.443 662 HB3 ASN 117 3HB ASN 117 11.078 -14.406 0.947 663 HD21 ASN 117 1HD2 ASN 117 11.765 -13.755 -1.039 664 HD22 ASN 117 2HD2 ASN 117 13.417 -13.858 -1.607 665 H SER 118 H SER 118 11.224 -12.460 4.067 666 HA SER 118 HA SER 118 10.473 -10.384 4.026 667 HB2 SER 118 2HB SER 118 11.917 -8.538 3.820 668 HB3 SER 118 3HB SER 118 12.769 -9.847 4.632 669 HG SER 118 HG SER 118 14.044 -10.112 2.970 Start of MODEL 13 1 HA PRO 31 HA PRO 31 -0.876 12.927 7.287 2 HB2 PRO 31 2HB PRO 31 1.167 11.080 7.203 3 HB3 PRO 31 3HB PRO 31 1.305 12.682 7.978 4 HG2 PRO 31 2HG PRO 31 0.673 10.024 9.291 5 HG3 PRO 31 3HG PRO 31 1.870 11.262 9.801 6 HD2 PRO 31 2HD PRO 31 -0.562 11.116 10.928 7 HD3 PRO 31 3HD PRO 31 0.165 12.702 10.574 8 H VAL 32 H VAL 32 -0.748 11.709 5.292 9 HA VAL 32 HA VAL 32 -2.918 9.864 5.033 10 HB VAL 32 HB VAL 32 -2.354 9.655 2.695 11 HG11 VAL 32 1HG1 VAL 32 -3.553 11.675 3.486 12 HG12 VAL 32 2HG1 VAL 32 -2.005 12.533 3.635 13 HG13 VAL 32 3HG1 VAL 32 -2.570 11.991 2.048 14 HG21 VAL 32 1HG2 VAL 32 0.097 9.545 2.781 15 HG22 VAL 32 2HG2 VAL 32 -0.438 10.831 1.694 16 HG23 VAL 32 3HG2 VAL 32 0.174 11.237 3.308 17 H GLU 33 H GLU 33 0.128 9.152 6.203 18 HA GLU 33 HA GLU 33 0.247 6.390 5.101 19 HB2 GLU 33 2HB GLU 33 2.181 6.113 6.629 20 HB3 GLU 33 3HB GLU 33 2.400 7.323 5.387 21 HG2 GLU 33 2HG GLU 33 2.577 9.070 6.747 22 HG3 GLU 33 3HG GLU 33 1.542 8.388 7.966 23 H ALA 34 H ALA 34 -0.196 7.975 8.172 24 HA ALA 34 HA ALA 34 -1.182 5.757 9.713 25 HB1 ALA 34 1HB ALA 34 -1.820 8.694 10.017 26 HB2 ALA 34 2HB ALA 34 -1.805 7.388 11.238 27 HB3 ALA 34 3HB ALA 34 -0.291 7.938 10.540 28 H ALA 35 H ALA 35 -2.837 8.062 7.498 29 HA ALA 35 HA ALA 35 -5.446 6.945 7.815 30 HB1 ALA 35 1HB ALA 35 -4.933 9.070 6.612 31 HB2 ALA 35 2HB ALA 35 -4.283 8.114 5.260 32 HB3 ALA 35 3HB ALA 35 -5.986 7.969 5.704 33 H ILE 36 H ILE 36 -2.946 6.071 5.303 34 HA ILE 36 HA ILE 36 -4.304 3.818 4.278 35 HB ILE 36 HB ILE 36 -1.432 4.650 4.408 36 HG12 ILE 36 2HG1 ILE 36 -3.358 3.858 2.194 37 HG13 ILE 36 3HG1 ILE 36 -2.965 5.506 2.696 38 HG21 ILE 36 1HG2 ILE 36 -1.169 2.227 4.865 39 HG22 ILE 36 2HG2 ILE 36 -2.143 1.861 3.421 40 HG23 ILE 36 3HG2 ILE 36 -0.562 2.663 3.303 41 HD11 ILE 36 1HD1 ILE 36 -1.751 4.999 0.666 42 HD12 ILE 36 2HD1 ILE 36 -0.588 5.094 2.010 43 HD13 ILE 36 3HD1 ILE 36 -1.088 3.511 1.366 44 H ARG 37 H ARG 37 -1.920 3.800 6.973 45 HA ARG 37 HA ARG 37 -2.039 1.123 7.711 46 HB2 ARG 37 2HB ARG 37 -0.623 3.018 8.633 47 HB3 ARG 37 3HB ARG 37 -1.980 3.488 9.644 48 HG2 ARG 37 2HG ARG 37 -0.554 0.795 9.692 49 HG3 ARG 37 3HG ARG 37 -0.262 2.153 10.783 50 HD2 ARG 37 2HD ARG 37 -2.881 0.621 10.602 51 HD3 ARG 37 3HD ARG 37 -1.611 0.307 11.740 52 HE ARG 37 HE ARG 37 -2.035 2.980 12.157 53 HH11 ARG 37 1HH1 ARG 37 -4.168 0.189 12.407 54 HH12 ARG 37 2HH1 ARG 37 -5.266 1.113 13.442 55 HH21 ARG 37 1HH2 ARG 37 -3.363 3.906 13.534 56 HH22 ARG 37 2HH2 ARG 37 -4.813 3.064 14.088 57 H THR 38 H THR 38 -4.124 3.619 9.168 58 HA THR 38 HA THR 38 -5.829 1.877 10.580 59 HB THR 38 HB THR 38 -6.692 4.524 9.338 60 HG1 THR 38 1HG THR 38 -4.845 5.001 10.376 61 HG21 THR 38 1HG2 THR 38 -8.483 3.317 10.539 62 HG22 THR 38 2HG2 THR 38 -7.979 4.755 11.436 63 HG23 THR 38 3HG2 THR 38 -7.427 3.148 11.961 64 H LYS 39 H LYS 39 -6.336 3.183 7.273 65 HA LYS 39 HA LYS 39 -8.919 1.948 6.974 66 HB2 LYS 39 2HB LYS 39 -8.090 4.091 5.971 67 HB3 LYS 39 3HB LYS 39 -7.133 3.152 4.820 68 HG2 LYS 39 2HG LYS 39 -9.125 2.241 3.800 69 HG3 LYS 39 3HG LYS 39 -10.143 2.778 5.154 70 HD2 LYS 39 2HD LYS 39 -9.649 5.147 4.595 71 HD3 LYS 39 3HD LYS 39 -8.713 4.619 3.181 72 HE2 LYS 39 2HE LYS 39 -10.680 3.697 2.124 73 HE3 LYS 39 3HE LYS 39 -11.611 3.807 3.622 74 HZ1 LYS 39 1HZ LYS 39 -11.481 6.215 3.487 75 HZ2 LYS 39 2HZ LYS 39 -12.186 5.588 2.128 76 HZ3 LYS 39 3HZ LYS 39 -10.651 6.149 2.066 77 H LEU 40 H LEU 40 -5.682 1.011 5.579 78 HA LEU 40 HA LEU 40 -6.746 -1.357 4.392 79 HB2 LEU 40 2HB LEU 40 -3.953 -0.351 5.045 80 HB3 LEU 40 3HB LEU 40 -4.226 -1.959 4.424 81 HG LEU 40 HG LEU 40 -3.622 -0.473 2.687 82 HD11 LEU 40 1HD1 LEU 40 -5.363 -2.365 2.392 83 HD12 LEU 40 2HD1 LEU 40 -5.223 -1.173 1.071 84 HD13 LEU 40 3HD1 LEU 40 -6.566 -1.085 2.227 85 HD21 LEU 40 1HD2 LEU 40 -4.441 1.702 3.363 86 HD22 LEU 40 2HD2 LEU 40 -6.122 1.181 3.084 87 HD23 LEU 40 3HD2 LEU 40 -4.978 1.291 1.739 88 H GLU 41 H GLU 41 -5.524 -0.756 7.696 89 HA GLU 41 HA GLU 41 -5.755 -3.552 8.433 90 HB2 GLU 41 2HB GLU 41 -5.526 -1.001 10.031 91 HB3 GLU 41 3HB GLU 41 -5.853 -2.548 10.785 92 HG2 GLU 41 2HG GLU 41 -3.845 -3.555 9.799 93 HG3 GLU 41 3HG GLU 41 -3.471 -2.058 8.940 94 H GLU 42 H GLU 42 -8.195 -0.934 8.252 95 HA GLU 42 HA GLU 42 -10.283 -2.729 9.203 96 HB2 GLU 42 2HB GLU 42 -10.768 -0.543 9.500 97 HB3 GLU 42 3HB GLU 42 -10.028 -0.004 7.999 98 HG2 GLU 42 2HG GLU 42 -11.796 -0.855 6.690 99 HG3 GLU 42 3HG GLU 42 -12.633 -1.542 8.119 100 H ALA 43 H ALA 43 -8.814 -2.178 6.003 101 HA ALA 43 HA ALA 43 -11.022 -3.439 4.623 102 HB1 ALA 43 1HB ALA 43 -9.850 -2.692 2.634 103 HB2 ALA 43 2HB ALA 43 -9.850 -1.402 3.852 104 HB3 ALA 43 3HB ALA 43 -8.385 -2.388 3.579 105 H LEU 44 H LEU 44 -7.545 -4.497 4.929 106 HA LEU 44 HA LEU 44 -8.310 -6.935 3.388 107 HB2 LEU 44 2HB LEU 44 -6.462 -7.018 2.159 108 HB3 LEU 44 3HB LEU 44 -7.306 -5.500 1.978 109 HG LEU 44 HG LEU 44 -5.460 -4.447 3.455 110 HD11 LEU 44 1HD1 LEU 44 -4.090 -7.108 2.781 111 HD12 LEU 44 2HD1 LEU 44 -4.347 -6.448 4.404 112 HD13 LEU 44 3HD1 LEU 44 -3.242 -5.632 3.300 113 HD21 LEU 44 1HD2 LEU 44 -4.022 -4.417 1.376 114 HD22 LEU 44 2HD2 LEU 44 -5.769 -4.262 1.043 115 HD23 LEU 44 3HD2 LEU 44 -4.986 -5.817 0.791 116 H SER 45 H SER 45 -7.961 -6.331 6.275 117 HA SER 45 HA SER 45 -7.130 -7.158 8.188 118 HB2 SER 45 2HB SER 45 -7.608 -9.556 8.494 119 HB3 SER 45 3HB SER 45 -8.892 -8.646 7.715 120 HG SER 45 HG SER 45 -8.427 -10.735 6.814 121 HA PRO 46 HA PRO 46 -2.888 -7.757 6.290 122 HB2 PRO 46 2HB PRO 46 -2.191 -5.738 8.381 123 HB3 PRO 46 3HB PRO 46 -1.611 -5.813 6.725 124 HG2 PRO 46 2HG PRO 46 -3.457 -4.045 7.532 125 HG3 PRO 46 3HG PRO 46 -3.660 -4.850 5.937 126 HD2 PRO 46 2HD PRO 46 -4.998 -5.498 8.572 127 HD3 PRO 46 3HD PRO 46 -5.688 -5.447 6.924 128 H GLU 47 H GLU 47 -0.877 -8.618 6.982 129 HA GLU 47 HA GLU 47 -0.619 -9.625 9.744 130 HB2 GLU 47 2HB GLU 47 -0.385 -10.958 7.395 131 HB3 GLU 47 3HB GLU 47 1.229 -10.294 7.506 132 HG2 GLU 47 2HG GLU 47 1.506 -12.221 8.542 133 HG3 GLU 47 3HG GLU 47 1.219 -11.225 9.952 134 H VAL 48 H VAL 48 1.091 -7.627 7.237 135 HA VAL 48 HA VAL 48 2.721 -6.457 9.523 136 HB VAL 48 HB VAL 48 4.088 -5.405 7.715 137 HG11 VAL 48 1HG1 VAL 48 5.143 -7.298 6.734 138 HG12 VAL 48 2HG1 VAL 48 5.026 -7.361 8.516 139 HG13 VAL 48 3HG1 VAL 48 3.951 -8.385 7.533 140 HG21 VAL 48 1HG2 VAL 48 2.423 -7.103 5.963 141 HG22 VAL 48 2HG2 VAL 48 2.386 -5.321 5.947 142 HG23 VAL 48 3HG2 VAL 48 3.874 -6.171 5.459 143 H LEU 49 H LEU 49 3.147 -4.048 9.147 144 HA LEU 49 HA LEU 49 1.956 -3.260 6.755 145 HB2 LEU 49 2HB LEU 49 0.104 -2.527 8.263 146 HB3 LEU 49 3HB LEU 49 1.207 -1.596 9.235 147 HG LEU 49 HG LEU 49 -0.399 -0.413 7.692 148 HD11 LEU 49 1HD1 LEU 49 2.494 0.413 7.315 149 HD12 LEU 49 2HD1 LEU 49 1.538 0.696 8.788 150 HD13 LEU 49 3HD1 LEU 49 1.044 1.433 7.259 151 HD21 LEU 49 1HD2 LEU 49 1.571 -1.068 5.484 152 HD22 LEU 49 2HD2 LEU 49 0.094 -0.083 5.382 153 HD23 LEU 49 3HD2 LEU 49 -0.011 -1.841 5.698 154 H GLU 50 H GLU 50 3.640 -2.367 5.560 155 HA GLU 50 HA GLU 50 5.456 -0.490 7.027 156 HB2 GLU 50 2HB GLU 50 6.251 -2.830 5.305 157 HB3 GLU 50 3HB GLU 50 7.285 -1.410 5.400 158 HG2 GLU 50 2HG GLU 50 6.343 -2.700 7.960 159 HG3 GLU 50 3HG GLU 50 7.634 -3.451 7.029 160 H LEU 51 H LEU 51 6.285 1.176 5.851 161 HA LEU 51 HA LEU 51 5.772 1.466 3.036 162 HB2 LEU 51 2HB LEU 51 4.467 3.479 3.002 163 HB3 LEU 51 3HB LEU 51 3.682 2.060 3.605 164 HG LEU 51 HG LEU 51 4.629 3.007 5.926 165 HD11 LEU 51 1HD1 LEU 51 4.196 5.411 6.136 166 HD12 LEU 51 2HD1 LEU 51 4.137 5.534 4.356 167 HD13 LEU 51 3HD1 LEU 51 5.610 5.041 5.191 168 HD21 LEU 51 1HD2 LEU 51 2.544 2.164 5.423 169 HD22 LEU 51 2HD2 LEU 51 2.091 3.578 4.479 170 HD23 LEU 51 3HD2 LEU 51 2.289 3.724 6.267 171 H ARG 52 H ARG 52 6.443 3.682 2.306 172 HA ARG 52 HA ARG 52 7.476 5.578 4.175 173 HB2 ARG 52 2HB ARG 52 9.334 4.681 1.935 174 HB3 ARG 52 3HB ARG 52 9.374 6.292 2.604 175 HG2 ARG 52 2HG ARG 52 10.076 3.749 4.088 176 HG3 ARG 52 3HG ARG 52 11.160 4.990 3.507 177 HD2 ARG 52 2HD ARG 52 11.043 5.485 5.762 178 HD3 ARG 52 3HD ARG 52 9.875 6.624 5.064 179 HE ARG 52 HE ARG 52 8.702 4.086 5.870 180 HH11 ARG 52 1HH1 ARG 52 9.541 7.188 7.307 181 HH12 ARG 52 2HH1 ARG 52 8.086 7.173 8.295 182 HH21 ARG 52 1HH2 ARG 52 7.164 3.985 7.339 183 HH22 ARG 52 2HH2 ARG 52 6.844 5.334 8.401 184 H ASN 53 H ASN 53 6.561 7.529 3.575 185 HA ASN 53 HA ASN 53 5.521 7.785 0.877 186 HB2 ASN 53 2HB ASN 53 4.604 9.753 1.408 187 HB3 ASN 53 3HB ASN 53 4.556 8.849 2.907 188 HD21 ASN 53 1HD2 ASN 53 4.003 11.189 3.556 189 HD22 ASN 53 2HD2 ASN 53 5.331 12.265 3.893 190 H GLU 54 H GLU 54 6.237 8.966 -0.877 191 HA GLU 54 HA GLU 54 9.211 8.975 -1.143 192 HB2 GLU 54 2HB GLU 54 7.885 7.448 -2.576 193 HB3 GLU 54 3HB GLU 54 7.013 8.824 -3.245 194 HG2 GLU 54 2HG GLU 54 9.140 9.711 -4.179 195 HG3 GLU 54 3HG GLU 54 10.014 8.342 -3.493 196 H SER 55 H SER 55 6.417 10.989 -1.303 197 HA SER 55 HA SER 55 7.061 13.217 -2.743 198 HB2 SER 55 2HB SER 55 5.266 14.210 -1.395 199 HB3 SER 55 3HB SER 55 4.997 12.544 -2.020 200 HG SER 55 HG SER 55 5.622 13.284 0.657 201 H GLY 56 H GLY 56 8.804 12.481 -0.002 202 HA2 GLY 56 2HA GLY 56 9.552 15.207 0.801 203 HA3 GLY 56 3HA GLY 56 10.490 13.731 1.084 204 H GLY 57 H GLY 57 10.364 13.104 -1.910 205 HA2 GLY 57 2HA GLY 57 12.354 14.964 -3.064 206 HA3 GLY 57 3HA GLY 57 11.592 13.584 -3.855 207 H HIS 58 H HIS 58 11.216 14.940 -5.697 208 HA HIS 58 HA HIS 58 9.859 15.976 -7.122 209 HB2 HIS 58 2HB HIS 58 7.769 15.260 -5.043 210 HB3 HIS 58 3HB HIS 58 7.432 15.597 -6.721 211 HD1 HIS 58 1HD HIS 58 9.049 13.820 -8.479 212 HD2 HIS 58 2HD HIS 58 8.311 12.808 -4.459 213 HE1 HIS 58 1HE HIS 58 9.845 11.423 -8.183 214 H ALA 59 H ALA 59 8.376 17.645 -7.787 215 HA ALA 59 HA ALA 59 9.215 20.169 -6.547 216 HB1 ALA 59 1HB ALA 59 9.525 19.768 -8.944 217 HB2 ALA 59 2HB ALA 59 7.768 19.563 -9.152 218 HB3 ALA 59 3HB ALA 59 8.434 21.135 -8.657 219 H VAL 60 H VAL 60 7.639 19.203 -4.702 220 HA VAL 60 HA VAL 60 4.819 19.610 -5.304 221 HB VAL 60 HB VAL 60 4.372 18.471 -3.188 222 HG11 VAL 60 1HG1 VAL 60 6.394 17.080 -4.962 223 HG12 VAL 60 2HG1 VAL 60 5.237 16.297 -3.873 224 HG13 VAL 60 3HG1 VAL 60 4.656 17.225 -5.271 225 HG21 VAL 60 1HG2 VAL 60 6.135 17.411 -1.907 226 HG22 VAL 60 2HG2 VAL 60 7.388 18.150 -2.912 227 HG23 VAL 60 3HG2 VAL 60 6.361 19.166 -1.861 228 HA PRO 61 HA PRO 61 3.968 23.343 -2.961 229 HB2 PRO 61 2HB PRO 61 1.515 21.811 -2.076 230 HB3 PRO 61 3HB PRO 61 1.638 23.505 -2.642 231 HG2 PRO 61 2HG PRO 61 0.746 21.610 -4.336 232 HG3 PRO 61 3HG PRO 61 1.954 22.803 -4.909 233 HD2 PRO 61 2HD PRO 61 2.442 19.959 -3.956 234 HD3 PRO 61 3HD PRO 61 3.065 20.801 -5.412 235 HA PRO 62 HA PRO 62 5.717 22.457 0.875 236 HB2 PRO 62 2HB PRO 62 4.792 24.406 2.602 237 HB3 PRO 62 3HB PRO 62 5.965 24.681 1.287 238 HG2 PRO 62 2HG PRO 62 2.962 25.122 1.237 239 HG3 PRO 62 3HG PRO 62 4.258 26.239 0.694 240 HD2 PRO 62 2HD PRO 62 2.937 24.683 -1.070 241 HD3 PRO 62 3HD PRO 62 4.703 24.926 -1.235 242 H GLY 63 H GLY 63 5.436 20.833 2.222 243 HA2 GLY 63 2HA GLY 63 4.523 19.348 3.722 244 HA3 GLY 63 3HA GLY 63 3.154 20.432 3.954 245 H SER 64 H SER 64 3.464 19.592 0.609 246 HA SER 64 HA SER 64 1.041 17.976 0.802 247 HB2 SER 64 2HB SER 64 1.386 19.741 -0.921 248 HB3 SER 64 3HB SER 64 2.608 18.698 -1.686 249 HG SER 64 HG SER 64 0.379 18.492 -2.504 250 H GLU 65 H GLU 65 0.921 15.930 0.900 251 HA GLU 65 HA GLU 65 3.237 14.118 0.562 252 HB2 GLU 65 2HB GLU 65 0.467 13.558 1.647 253 HB3 GLU 65 3HB GLU 65 1.855 12.493 1.746 254 HG2 GLU 65 2HG GLU 65 2.800 13.640 3.495 255 HG3 GLU 65 3HG GLU 65 2.201 15.208 2.982 256 H THR 66 H THR 66 2.900 14.706 -1.952 257 HA THR 66 HA THR 66 0.517 13.748 -3.256 258 HB THR 66 HB THR 66 1.579 14.415 -5.303 259 HG1 THR 66 1HG THR 66 3.722 14.847 -5.445 260 HG21 THR 66 1HG2 THR 66 2.308 16.678 -4.936 261 HG22 THR 66 2HG2 THR 66 2.566 16.374 -3.209 262 HG23 THR 66 3HG2 THR 66 0.919 16.322 -3.895 263 H HIS 67 H HIS 67 3.293 12.109 -2.279 264 HA HIS 67 HA HIS 67 3.209 10.075 -4.440 265 HB2 HIS 67 2HB HIS 67 4.997 12.266 -4.056 266 HB3 HIS 67 3HB HIS 67 5.875 10.837 -3.677 267 HD1 HIS 67 1HD HIS 67 7.149 10.224 -6.023 268 HD2 HIS 67 2HD HIS 67 3.297 11.871 -6.349 269 HE1 HIS 67 1HE HIS 67 6.822 10.722 -8.480 270 H PHE 68 H PHE 68 3.338 7.971 -3.680 271 HA PHE 68 HA PHE 68 4.430 7.558 -0.928 272 HB2 PHE 68 2HB PHE 68 1.927 8.218 -1.222 273 HB3 PHE 68 3HB PHE 68 1.674 6.590 -1.770 274 HD1 PHE 68 1HD PHE 68 2.355 4.689 -0.166 275 HD2 PHE 68 2HD PHE 68 2.055 8.812 1.054 276 HE1 PHE 68 1HE PHE 68 2.210 3.987 2.224 277 HE2 PHE 68 2HE PHE 68 1.843 8.083 3.456 278 HZ PHE 68 HZ PHE 68 1.899 5.668 3.978 279 H ARG 69 H ARG 69 5.118 5.477 -0.255 280 HA ARG 69 HA ARG 69 4.862 3.246 -2.225 281 HB2 ARG 69 2HB ARG 69 7.148 4.638 -2.019 282 HB3 ARG 69 3HB ARG 69 7.416 3.580 -0.654 283 HG2 ARG 69 2HG ARG 69 7.026 2.896 -3.564 284 HG3 ARG 69 3HG ARG 69 8.454 2.627 -2.587 285 HD2 ARG 69 2HD ARG 69 5.831 1.067 -2.496 286 HD3 ARG 69 3HD ARG 69 7.389 0.539 -3.109 287 HE ARG 69 HE ARG 69 7.465 1.367 -0.279 288 HH11 ARG 69 1HH1 ARG 69 7.159 -1.441 -2.393 289 HH12 ARG 69 2HH1 ARG 69 7.981 -2.461 -1.211 290 HH21 ARG 69 1HH2 ARG 69 8.451 -0.023 1.110 291 HH22 ARG 69 2HH2 ARG 69 8.711 -1.686 0.640 292 H VAL 70 H VAL 70 3.701 1.706 -1.263 293 HA VAL 70 HA VAL 70 3.920 1.167 1.701 294 HB VAL 70 HB VAL 70 1.764 -0.198 0.145 295 HG11 VAL 70 1HG1 VAL 70 0.456 0.291 2.125 296 HG12 VAL 70 2HG1 VAL 70 2.033 -0.329 2.631 297 HG13 VAL 70 3HG1 VAL 70 1.689 1.408 2.728 298 HG21 VAL 70 1HG2 VAL 70 1.402 2.757 0.655 299 HG22 VAL 70 2HG2 VAL 70 1.549 2.007 -0.947 300 HG23 VAL 70 3HG2 VAL 70 0.187 1.607 0.099 301 H ALA 71 H ALA 71 4.335 -0.895 2.427 302 HA ALA 71 HA ALA 71 4.419 -3.182 0.541 303 HB1 ALA 71 1HB ALA 71 6.196 -2.707 2.961 304 HB2 ALA 71 2HB ALA 71 6.062 -4.243 2.074 305 HB3 ALA 71 3HB ALA 71 6.693 -2.807 1.256 306 H VAL 72 H VAL 72 2.853 -4.501 0.858 307 HA VAL 72 HA VAL 72 1.453 -4.652 3.484 308 HB VAL 72 HB VAL 72 -0.690 -4.874 2.295 309 HG11 VAL 72 1HG1 VAL 72 -1.023 -2.486 1.992 310 HG12 VAL 72 2HG1 VAL 72 0.063 -2.761 3.364 311 HG13 VAL 72 3HG1 VAL 72 0.723 -2.231 1.805 312 HG21 VAL 72 1HG2 VAL 72 -0.956 -3.910 0.027 313 HG22 VAL 72 2HG2 VAL 72 0.808 -3.838 -0.157 314 HG23 VAL 72 3HG2 VAL 72 -0.019 -5.403 -0.006 315 H VAL 73 H VAL 73 1.477 -6.524 4.303 316 HA VAL 73 HA VAL 73 1.565 -8.949 2.595 317 HB VAL 73 HB VAL 73 3.507 -7.984 4.487 318 HG11 VAL 73 1HG1 VAL 73 2.635 -9.440 6.103 319 HG12 VAL 73 2HG1 VAL 73 2.679 -10.828 4.957 320 HG13 VAL 73 3HG1 VAL 73 4.162 -10.010 5.528 321 HG21 VAL 73 1HG2 VAL 73 3.804 -10.275 2.637 322 HG22 VAL 73 2HG2 VAL 73 3.706 -8.564 2.092 323 HG23 VAL 73 3HG2 VAL 73 4.976 -9.040 3.182 324 H SER 74 H SER 74 0.050 -10.329 2.929 325 HA SER 74 HA SER 74 -1.482 -10.477 5.468 326 HB2 SER 74 2HB SER 74 -2.433 -8.501 4.313 327 HB3 SER 74 3HB SER 74 -2.782 -9.504 2.890 328 HG SER 74 HG SER 74 -4.580 -9.238 4.473 329 H SER 75 H SER 75 -2.774 -12.258 5.671 330 HA SER 75 HA SER 75 -2.356 -14.601 3.965 331 HB2 SER 75 2HB SER 75 -4.250 -14.051 6.283 332 HB3 SER 75 3HB SER 75 -4.069 -15.624 5.484 333 HG SER 75 HG SER 75 -1.970 -15.708 6.097 334 H ARG 76 H ARG 76 -4.537 -11.937 3.856 335 HA ARG 76 HA ARG 76 -6.704 -13.107 2.381 336 HB2 ARG 76 2HB ARG 76 -6.395 -10.844 3.627 337 HB3 ARG 76 3HB ARG 76 -5.876 -10.247 2.041 338 HG2 ARG 76 2HG ARG 76 -8.035 -10.954 1.054 339 HG3 ARG 76 3HG ARG 76 -8.478 -11.789 2.571 340 HD2 ARG 76 2HD ARG 76 -8.157 -9.608 3.753 341 HD3 ARG 76 3HD ARG 76 -8.047 -8.823 2.163 342 HE ARG 76 HE ARG 76 -10.366 -9.661 1.718 343 HH11 ARG 76 1HH1 ARG 76 -9.416 -9.280 5.112 344 HH12 ARG 76 2HH1 ARG 76 -11.045 -8.806 5.543 345 HH21 ARG 76 1HH2 ARG 76 -12.359 -9.564 2.463 346 HH22 ARG 76 2HH2 ARG 76 -12.710 -9.272 4.162 347 H PHE 77 H PHE 77 -3.448 -12.472 1.408 348 HA PHE 77 HA PHE 77 -4.110 -12.387 -1.460 349 HB2 PHE 77 2HB PHE 77 -1.531 -11.953 0.089 350 HB3 PHE 77 3HB PHE 77 -1.703 -11.805 -1.638 351 HD1 PHE 77 1HD PHE 77 -1.047 -9.831 0.905 352 HD2 PHE 77 2HD PHE 77 -4.126 -10.215 -2.085 353 HE1 PHE 77 1HE PHE 77 -1.404 -7.381 0.967 354 HE2 PHE 77 2HE PHE 77 -4.498 -7.769 -2.006 355 HZ PHE 77 HZ PHE 77 -3.117 -6.342 -0.507 356 H GLU 78 H GLU 78 -4.370 -15.000 0.153 357 HA GLU 78 HA GLU 78 -2.211 -16.614 -0.916 358 HB2 GLU 78 2HB GLU 78 -3.156 -18.374 0.302 359 HB3 GLU 78 3HB GLU 78 -3.290 -16.953 1.328 360 HG2 GLU 78 2HG GLU 78 -5.688 -16.717 0.547 361 HG3 GLU 78 3HG GLU 78 -5.520 -18.248 -0.315 362 H GLY 79 H GLY 79 -2.318 -18.282 -2.432 363 HA2 GLY 79 2HA GLY 79 -3.201 -19.867 -3.788 364 HA3 GLY 79 3HA GLY 79 -4.826 -19.254 -3.459 365 H LEU 80 H LEU 80 -4.352 -16.597 -4.414 366 HA LEU 80 HA LEU 80 -4.485 -16.780 -7.301 367 HB2 LEU 80 2HB LEU 80 -4.521 -14.250 -6.986 368 HB3 LEU 80 3HB LEU 80 -5.865 -15.203 -6.405 369 HG LEU 80 HG LEU 80 -5.198 -14.821 -4.244 370 HD11 LEU 80 1HD1 LEU 80 -2.811 -14.933 -4.204 371 HD12 LEU 80 2HD1 LEU 80 -3.252 -13.310 -3.667 372 HD13 LEU 80 3HD1 LEU 80 -2.673 -13.568 -5.333 373 HD21 LEU 80 1HD2 LEU 80 -5.390 -12.409 -4.022 374 HD22 LEU 80 2HD2 LEU 80 -6.450 -13.026 -5.296 375 HD23 LEU 80 3HD2 LEU 80 -4.927 -12.216 -5.736 376 H SER 81 H SER 81 -3.115 -15.499 -8.739 377 HA SER 81 HA SER 81 -0.289 -15.939 -8.489 378 HB2 SER 81 2HB SER 81 -0.739 -15.848 -10.702 379 HB3 SER 81 3HB SER 81 -2.211 -14.911 -10.450 380 HG SER 81 HG SER 81 -0.855 -13.673 -11.625 381 HA PRO 82 HA PRO 82 1.244 -12.105 -6.579 382 HB2 PRO 82 2HB PRO 82 3.419 -11.531 -8.176 383 HB3 PRO 82 3HB PRO 82 3.393 -12.759 -6.880 384 HG2 PRO 82 2HG PRO 82 2.992 -13.164 -9.853 385 HG3 PRO 82 3HG PRO 82 4.034 -14.100 -8.730 386 HD2 PRO 82 2HD PRO 82 1.591 -14.992 -9.435 387 HD3 PRO 82 3HD PRO 82 2.164 -15.177 -7.753 388 H LEU 83 H LEU 83 1.092 -12.094 -10.179 389 HA LEU 83 HA LEU 83 0.692 -9.231 -10.408 390 HB2 LEU 83 2HB LEU 83 0.012 -11.455 -12.366 391 HB3 LEU 83 3HB LEU 83 0.121 -9.742 -12.745 392 HG LEU 83 HG LEU 83 2.438 -11.530 -11.873 393 HD11 LEU 83 1HD1 LEU 83 3.212 -11.244 -14.180 394 HD12 LEU 83 2HD1 LEU 83 1.770 -10.282 -14.570 395 HD13 LEU 83 3HD1 LEU 83 1.612 -12.002 -14.144 396 HD21 LEU 83 1HD2 LEU 83 2.841 -9.209 -11.150 397 HD22 LEU 83 2HD2 LEU 83 2.429 -8.621 -12.779 398 HD23 LEU 83 3HD2 LEU 83 3.878 -9.616 -12.521 399 H GLN 84 H GLN 84 -1.453 -11.985 -10.008 400 HA GLN 84 HA GLN 84 -3.949 -10.638 -10.511 401 HB2 GLN 84 2HB GLN 84 -3.546 -13.034 -10.784 402 HB3 GLN 84 3HB GLN 84 -3.233 -13.191 -9.056 403 HG2 GLN 84 2HG GLN 84 -5.608 -12.574 -8.599 404 HG3 GLN 84 3HG GLN 84 -5.906 -12.581 -10.345 405 HE21 GLN 84 1HE2 GLN 84 -7.297 -14.361 -8.565 406 HE22 GLN 84 2HE2 GLN 84 -6.717 -15.988 -8.906 407 H ARG 85 H ARG 85 -2.166 -11.361 -7.426 408 HA ARG 85 HA ARG 85 -4.095 -9.928 -5.762 409 HB2 ARG 85 2HB ARG 85 -2.343 -9.805 -4.027 410 HB3 ARG 85 3HB ARG 85 -2.656 -11.424 -4.604 411 HG2 ARG 85 2HG ARG 85 -0.625 -11.306 -6.000 412 HG3 ARG 85 3HG ARG 85 -0.293 -9.691 -5.405 413 HD2 ARG 85 2HD ARG 85 1.154 -11.178 -4.257 414 HD3 ARG 85 3HD ARG 85 -0.063 -10.684 -3.092 415 HE ARG 85 HE ARG 85 -1.110 -12.903 -3.313 416 HH11 ARG 85 1HH1 ARG 85 2.255 -12.896 -4.558 417 HH12 ARG 85 2HH1 ARG 85 2.247 -14.642 -4.461 418 HH21 ARG 85 1HH2 ARG 85 -0.680 -14.923 -2.837 419 HH22 ARG 85 2HH2 ARG 85 0.895 -15.603 -3.166 420 H HIS 86 H HIS 86 -1.133 -8.823 -7.452 421 HA HIS 86 HA HIS 86 -1.345 -6.101 -6.576 422 HB2 HIS 86 2HB HIS 86 -0.026 -7.615 -8.765 423 HB3 HIS 86 3HB HIS 86 -0.254 -5.870 -9.040 424 HD1 HIS 86 1HD HIS 86 1.698 -4.443 -8.100 425 HD2 HIS 86 2HD HIS 86 1.159 -8.151 -6.163 426 HE1 HIS 86 1HE HIS 86 3.556 -4.642 -6.383 427 H ARG 87 H ARG 87 -2.734 -7.570 -9.593 428 HA ARG 87 HA ARG 87 -4.323 -5.385 -10.396 429 HB2 ARG 87 2HB ARG 87 -3.990 -7.329 -11.789 430 HB3 ARG 87 3HB ARG 87 -4.766 -8.385 -10.618 431 HG2 ARG 87 2HG ARG 87 -6.188 -7.989 -12.536 432 HG3 ARG 87 3HG ARG 87 -6.953 -7.394 -11.066 433 HD2 ARG 87 2HD ARG 87 -6.430 -5.084 -11.689 434 HD3 ARG 87 3HD ARG 87 -5.474 -5.646 -13.073 435 HE ARG 87 HE ARG 87 -8.211 -6.633 -13.177 436 HH11 ARG 87 1HH1 ARG 87 -6.491 -3.626 -13.639 437 HH12 ARG 87 2HH1 ARG 87 -7.499 -3.134 -14.981 438 HH21 ARG 87 1HH2 ARG 87 -9.460 -5.969 -14.947 439 HH22 ARG 87 2HH2 ARG 87 -9.196 -4.375 -15.587 440 H LEU 88 H LEU 88 -5.181 -7.852 -7.890 441 HA LEU 88 HA LEU 88 -7.775 -6.860 -7.391 442 HB2 LEU 88 2HB LEU 88 -6.482 -8.990 -6.594 443 HB3 LEU 88 3HB LEU 88 -5.933 -8.013 -5.263 444 HG LEU 88 HG LEU 88 -7.786 -9.471 -4.735 445 HD11 LEU 88 1HD1 LEU 88 -9.155 -7.942 -3.474 446 HD12 LEU 88 2HD1 LEU 88 -8.721 -6.586 -4.519 447 HD13 LEU 88 3HD1 LEU 88 -7.491 -7.335 -3.469 448 HD21 LEU 88 1HD2 LEU 88 -8.985 -9.397 -6.914 449 HD22 LEU 88 2HD2 LEU 88 -9.573 -7.763 -6.508 450 HD23 LEU 88 3HD2 LEU 88 -10.044 -9.148 -5.516 451 H VAL 89 H VAL 89 -4.704 -5.979 -5.708 452 HA VAL 89 HA VAL 89 -5.871 -3.927 -4.053 453 HB VAL 89 HB VAL 89 -3.018 -4.104 -5.116 454 HG11 VAL 89 1HG1 VAL 89 -4.181 -2.465 -2.816 455 HG12 VAL 89 2HG1 VAL 89 -2.447 -2.718 -3.094 456 HG13 VAL 89 3HG1 VAL 89 -3.398 -1.831 -4.279 457 HG21 VAL 89 1HG2 VAL 89 -4.209 -4.985 -2.452 458 HG22 VAL 89 2HG2 VAL 89 -3.669 -6.066 -3.751 459 HG23 VAL 89 3HG2 VAL 89 -2.490 -5.059 -2.919 460 H HIS 90 H HIS 90 -4.718 -3.802 -7.343 461 HA HIS 90 HA HIS 90 -4.672 -0.912 -7.600 462 HB2 HIS 90 2HB HIS 90 -4.608 -3.128 -9.684 463 HB3 HIS 90 3HB HIS 90 -4.410 -1.418 -10.031 464 HD1 HIS 90 1HD HIS 90 -2.099 -2.671 -11.106 465 HD2 HIS 90 2HD HIS 90 -2.393 -2.098 -6.940 466 HE1 HIS 90 1HE HIS 90 0.268 -2.853 -10.175 467 H ALA 91 H ALA 91 -6.937 -3.494 -8.805 468 HA ALA 91 HA ALA 91 -8.790 -1.516 -9.786 469 HB1 ALA 91 1HB ALA 91 -9.146 -4.481 -9.095 470 HB2 ALA 91 2HB ALA 91 -10.314 -3.498 -9.995 471 HB3 ALA 91 3HB ALA 91 -8.710 -3.820 -10.689 472 H ALA 92 H ALA 92 -8.720 -3.432 -6.735 473 HA ALA 92 HA ALA 92 -11.172 -2.087 -5.975 474 HB1 ALA 92 1HB ALA 92 -10.827 -4.553 -5.686 475 HB2 ALA 92 2HB ALA 92 -9.588 -4.203 -4.459 476 HB3 ALA 92 3HB ALA 92 -11.275 -3.734 -4.177 477 H LEU 93 H LEU 93 -7.784 -1.570 -4.992 478 HA LEU 93 HA LEU 93 -8.979 0.407 -3.030 479 HB2 LEU 93 2HB LEU 93 -6.287 -0.977 -2.856 480 HB3 LEU 93 3HB LEU 93 -6.780 0.373 -1.890 481 HG LEU 93 HG LEU 93 -7.020 -1.308 -0.450 482 HD11 LEU 93 1HD1 LEU 93 -9.334 -1.527 0.139 483 HD12 LEU 93 2HD1 LEU 93 -9.861 -1.106 -1.493 484 HD13 LEU 93 3HD1 LEU 93 -9.065 0.115 -0.472 485 HD21 LEU 93 1HD2 LEU 93 -6.742 -3.064 -2.054 486 HD22 LEU 93 2HD2 LEU 93 -8.448 -2.937 -2.536 487 HD23 LEU 93 3HD2 LEU 93 -8.029 -3.451 -0.884 488 H ALA 94 H ALA 94 -7.560 0.507 -6.133 489 HA ALA 94 HA ALA 94 -5.507 2.420 -5.411 490 HB1 ALA 94 1HB ALA 94 -5.330 1.256 -7.522 491 HB2 ALA 94 2HB ALA 94 -6.781 2.122 -8.126 492 HB3 ALA 94 3HB ALA 94 -5.295 3.004 -7.760 493 H GLU 95 H GLU 95 -8.947 2.965 -6.034 494 HA GLU 95 HA GLU 95 -8.503 5.877 -6.239 495 HB2 GLU 95 2HB GLU 95 -10.932 4.059 -6.479 496 HB3 GLU 95 3HB GLU 95 -11.106 5.800 -6.313 497 HG2 GLU 95 2HG GLU 95 -11.182 5.165 -8.660 498 HG3 GLU 95 3HG GLU 95 -9.832 6.236 -8.313 499 H GLU 96 H GLU 96 -9.005 3.611 -3.616 500 HA GLU 96 HA GLU 96 -10.028 5.531 -1.762 501 HB2 GLU 96 2HB GLU 96 -8.952 2.672 -1.616 502 HB3 GLU 96 3HB GLU 96 -9.755 3.585 -0.394 503 HG2 GLU 96 2HG GLU 96 -11.615 3.803 -2.400 504 HG3 GLU 96 3HG GLU 96 -10.837 2.308 -2.852 505 H LEU 97 H LEU 97 -6.947 3.579 -2.134 506 HA LEU 97 HA LEU 97 -5.606 5.428 -0.326 507 HB2 LEU 97 2HB LEU 97 -4.401 3.779 0.178 508 HB3 LEU 97 3HB LEU 97 -5.559 2.786 -0.650 509 HG LEU 97 HG LEU 97 -2.880 3.709 -1.770 510 HD11 LEU 97 1HD1 LEU 97 -2.641 2.167 0.147 511 HD12 LEU 97 2HD1 LEU 97 -2.136 1.410 -1.371 512 HD13 LEU 97 3HD1 LEU 97 -3.712 1.000 -0.656 513 HD21 LEU 97 1HD2 LEU 97 -4.773 1.535 -2.786 514 HD22 LEU 97 2HD2 LEU 97 -3.205 1.979 -3.485 515 HD23 LEU 97 3HD2 LEU 97 -4.551 3.116 -3.552 516 H GLY 98 H GLY 98 -5.603 4.992 -3.799 517 HA2 GLY 98 2HA GLY 98 -3.582 7.149 -4.188 518 HA3 GLY 98 3HA GLY 98 -4.422 6.214 -5.431 519 H GLY 99 H GLY 99 -6.215 7.338 -2.779 520 HA2 GLY 99 2HA GLY 99 -7.934 9.169 -4.304 521 HA3 GLY 99 3HA GLY 99 -8.020 8.829 -2.572 522 HA PRO 100 HA PRO 100 -5.804 12.628 -1.874 523 HB2 PRO 100 2HB PRO 100 -4.515 12.284 0.465 524 HB3 PRO 100 3HB PRO 100 -6.291 12.048 0.325 525 HG2 PRO 100 2HG PRO 100 -4.169 9.884 0.240 526 HG3 PRO 100 3HG PRO 100 -5.614 9.975 1.299 527 HD2 PRO 100 2HD PRO 100 -5.620 8.615 -1.075 528 HD3 PRO 100 3HD PRO 100 -7.068 9.471 -0.474 529 H VAL 101 H VAL 101 -3.943 9.963 -2.784 530 HA VAL 101 HA VAL 101 -1.346 11.476 -3.141 531 HB VAL 101 HB VAL 101 -1.975 8.485 -2.848 532 HG11 VAL 101 1HG1 VAL 101 0.338 8.052 -2.946 533 HG12 VAL 101 2HG1 VAL 101 -0.132 8.842 -4.446 534 HG13 VAL 101 3HG1 VAL 101 0.742 9.749 -3.175 535 HG21 VAL 101 1HG2 VAL 101 -0.382 10.355 -1.046 536 HG22 VAL 101 2HG2 VAL 101 -1.987 9.688 -0.681 537 HG23 VAL 101 3HG2 VAL 101 -0.606 8.608 -0.817 538 H HIS 102 H HIS 102 -0.555 11.719 -5.108 539 HA HIS 102 HA HIS 102 -2.346 11.011 -7.360 540 HB2 HIS 102 2HB HIS 102 -2.117 13.048 -8.127 541 HB3 HIS 102 3HB HIS 102 -1.264 13.431 -6.613 542 HD1 HIS 102 1HD HIS 102 -0.521 13.740 -10.215 543 HD2 HIS 102 2HD HIS 102 1.317 12.830 -6.581 544 HE1 HIS 102 1HE HIS 102 1.964 14.197 -10.576 545 H ALA 103 H ALA 103 0.899 10.299 -6.153 546 HA ALA 103 HA ALA 103 0.837 8.177 -8.247 547 HB1 ALA 103 1HB ALA 103 3.509 9.361 -7.617 548 HB2 ALA 103 2HB ALA 103 2.993 8.458 -9.040 549 HB3 ALA 103 3HB ALA 103 2.479 10.148 -8.856 550 H LEU 104 H LEU 104 1.414 6.195 -7.535 551 HA LEU 104 HA LEU 104 3.031 5.879 -5.182 552 HB2 LEU 104 2HB LEU 104 1.447 4.834 -3.808 553 HB3 LEU 104 3HB LEU 104 0.851 6.413 -4.226 554 HG LEU 104 HG LEU 104 -0.183 3.734 -5.233 555 HD11 LEU 104 1HD1 LEU 104 -2.172 4.404 -3.922 556 HD12 LEU 104 2HD1 LEU 104 -1.339 5.889 -3.401 557 HD13 LEU 104 3HD1 LEU 104 -0.725 4.301 -2.902 558 HD21 LEU 104 1HD2 LEU 104 -2.082 5.042 -6.199 559 HD22 LEU 104 2HD2 LEU 104 -0.567 5.337 -7.038 560 HD23 LEU 104 3HD2 LEU 104 -1.189 6.545 -5.885 561 H ALA 105 H ALA 105 3.615 3.872 -4.524 562 HA ALA 105 HA ALA 105 3.114 1.571 -6.361 563 HB1 ALA 105 1HB ALA 105 5.439 0.830 -5.797 564 HB2 ALA 105 2HB ALA 105 5.326 2.264 -6.842 565 HB3 ALA 105 3HB ALA 105 5.711 2.449 -5.129 566 H ILE 106 H ILE 106 2.603 -0.305 -5.522 567 HA ILE 106 HA ILE 106 2.703 -0.712 -2.590 568 HB ILE 106 HB ILE 106 0.747 -2.112 -2.746 569 HG12 ILE 106 2HG1 ILE 106 -0.759 -1.510 -4.943 570 HG13 ILE 106 3HG1 ILE 106 0.827 -1.582 -5.690 571 HG21 ILE 106 1HG2 ILE 106 0.160 0.672 -3.805 572 HG22 ILE 106 2HG2 ILE 106 -0.936 -0.368 -2.880 573 HG23 ILE 106 3HG2 ILE 106 0.538 0.248 -2.118 574 HD11 ILE 106 1HD1 ILE 106 1.104 -3.910 -4.718 575 HD12 ILE 106 2HD1 ILE 106 -0.524 -3.773 -4.046 576 HD13 ILE 106 3HD1 ILE 106 -0.288 -3.760 -5.802 577 H GLN 107 H GLN 107 3.719 -2.556 -1.966 578 HA GLN 107 HA GLN 107 4.133 -4.726 -4.021 579 HB2 GLN 107 2HB GLN 107 5.876 -3.710 -1.780 580 HB3 GLN 107 3HB GLN 107 5.907 -5.420 -2.183 581 HG2 GLN 107 2HG GLN 107 7.690 -4.176 -3.342 582 HG3 GLN 107 3HG GLN 107 6.616 -5.025 -4.426 583 HE21 GLN 107 1HE2 GLN 107 6.455 -3.868 -6.314 584 HE22 GLN 107 2HE2 GLN 107 6.313 -2.110 -6.378 585 H ALA 108 H ALA 108 2.688 -6.298 -3.781 586 HA ALA 108 HA ALA 108 1.429 -6.729 -1.121 587 HB1 ALA 108 1HB ALA 108 -0.501 -7.560 -2.366 588 HB2 ALA 108 2HB ALA 108 -0.070 -5.911 -2.862 589 HB3 ALA 108 3HB ALA 108 0.355 -7.291 -3.898 590 H ARG 109 H ARG 109 1.882 -8.523 -0.040 591 HA ARG 109 HA ARG 109 2.692 -11.058 -1.427 592 HB2 ARG 109 2HB ARG 109 4.419 -9.239 0.238 593 HB3 ARG 109 3HB ARG 109 4.674 -10.943 0.376 594 HG2 ARG 109 2HG ARG 109 6.036 -10.791 -1.409 595 HG3 ARG 109 3HG ARG 109 4.625 -10.490 -2.417 596 HD2 ARG 109 2HD ARG 109 4.850 -8.040 -1.942 597 HD3 ARG 109 3HD ARG 109 6.314 -8.360 -1.020 598 HE ARG 109 HE ARG 109 6.000 -8.215 -3.907 599 HH11 ARG 109 1HH1 ARG 109 8.107 -9.594 -1.472 600 HH12 ARG 109 2HH1 ARG 109 9.434 -9.742 -2.596 601 HH21 ARG 109 1HH2 ARG 109 7.746 -8.457 -5.281 602 HH22 ARG 109 2HH2 ARG 109 9.193 -9.227 -4.684 603 H THR 110 H THR 110 3.345 -12.758 0.276 604 HA THR 110 HA THR 110 1.188 -12.800 2.328 605 HB THR 110 HB THR 110 1.158 -15.216 2.164 606 HG1 THR 110 1HG THR 110 2.367 -16.302 0.937 607 HG21 THR 110 1HG2 THR 110 0.886 -13.843 -0.537 608 HG22 THR 110 2HG2 THR 110 -0.337 -13.871 0.756 609 HG23 THR 110 3HG2 THR 110 0.138 -15.381 -0.043 610 HA PRO 111 HA PRO 111 3.567 -12.901 5.771 611 HB2 PRO 111 2HB PRO 111 2.458 -15.560 6.661 612 HB3 PRO 111 3HB PRO 111 2.636 -14.034 7.580 613 HG2 PRO 111 2HG PRO 111 0.238 -14.719 6.516 614 HG3 PRO 111 3HG PRO 111 0.814 -13.024 6.397 615 HD2 PRO 111 2HD PRO 111 0.860 -15.171 4.290 616 HD3 PRO 111 3HD PRO 111 0.452 -13.443 4.149 617 H ALA 112 H ALA 112 3.765 -16.441 4.778 618 HA ALA 112 HA ALA 112 6.241 -16.723 6.092 619 HB1 ALA 112 1HB ALA 112 6.361 -18.899 4.913 620 HB2 ALA 112 2HB ALA 112 4.724 -18.583 5.519 621 HB3 ALA 112 3HB ALA 112 5.088 -18.369 3.790 622 H GLN 113 H GLN 113 5.736 -15.599 2.778 623 HA GLN 113 HA GLN 113 8.589 -15.618 2.089 624 HB2 GLN 113 2HB GLN 113 7.869 -14.249 0.137 625 HB3 GLN 113 3HB GLN 113 7.157 -15.833 0.280 626 HG2 GLN 113 2HG GLN 113 5.097 -14.766 1.269 627 HG3 GLN 113 3HG GLN 113 5.816 -13.185 0.932 628 HE21 GLN 113 1HE2 GLN 113 5.507 -16.296 -0.907 629 HE22 GLN 113 2HE2 GLN 113 4.854 -15.527 -2.342 630 H TRP 114 H TRP 114 6.276 -13.151 3.425 631 HA TRP 114 HA TRP 114 8.365 -11.160 3.843 632 HB2 TRP 114 2HB TRP 114 5.996 -10.720 3.855 633 HB3 TRP 114 3HB TRP 114 5.833 -11.585 5.374 634 HD1 TRP 114 HD1 TRP 114 6.170 -10.283 7.462 635 HE1 TRP 114 HE1 TRP 114 7.382 -8.172 8.261 636 HE3 TRP 114 HE3 TRP 114 7.189 -8.352 2.930 637 HZ2 TRP 114 HZ2 TRP 114 8.217 -5.738 7.052 638 HZ3 TRP 114 HZ3 TRP 114 7.574 -5.922 2.825 639 HH2 TRP 114 HH2 TRP 114 8.238 -4.616 4.818 640 H ARG 115 H ARG 115 7.464 -13.985 5.756 641 HA ARG 115 HA ARG 115 9.173 -13.369 8.024 642 HB2 ARG 115 2HB ARG 115 8.444 -16.143 6.975 643 HB3 ARG 115 3HB ARG 115 9.176 -15.773 8.526 644 HG2 ARG 115 2HG ARG 115 7.119 -14.455 9.137 645 HG3 ARG 115 3HG ARG 115 6.391 -14.953 7.645 646 HD2 ARG 115 2HD ARG 115 5.502 -16.411 9.200 647 HD3 ARG 115 3HD ARG 115 6.725 -17.376 8.357 648 HE ARG 115 HE ARG 115 8.137 -16.362 10.477 649 HH11 ARG 115 1HH1 ARG 115 5.055 -18.095 10.459 650 HH12 ARG 115 2HH1 ARG 115 5.346 -18.715 12.061 651 HH21 ARG 115 1HH2 ARG 115 8.321 -17.030 12.521 652 HH22 ARG 115 2HH2 ARG 115 7.033 -17.980 13.246 653 H GLU 116 H GLU 116 9.815 -14.983 4.938 654 HA GLU 116 HA GLU 116 12.577 -15.573 5.507 655 HB2 GLU 116 2HB GLU 116 10.676 -15.828 3.254 656 HB3 GLU 116 3HB GLU 116 12.338 -15.561 2.737 657 HG2 GLU 116 2HG GLU 116 13.118 -17.532 3.659 658 HG3 GLU 116 3HG GLU 116 11.877 -17.593 4.903 659 H ASN 117 H ASN 117 11.319 -13.091 3.224 660 HA ASN 117 HA ASN 117 12.580 -11.103 4.800 661 HB2 ASN 117 2HB ASN 117 14.623 -11.509 3.537 662 HB3 ASN 117 3HB ASN 117 13.759 -11.392 2.005 663 HD21 ASN 117 1HD2 ASN 117 13.381 -9.333 1.107 664 HD22 ASN 117 2HD2 ASN 117 13.970 -7.867 1.898 665 H SER 118 H SER 118 11.125 -11.834 1.727 666 HA SER 118 HA SER 118 8.755 -10.315 2.013 667 HB2 SER 118 2HB SER 118 10.293 -8.394 1.516 668 HB3 SER 118 3HB SER 118 10.652 -9.133 -0.046 669 HG SER 118 HG SER 118 9.010 -7.621 -0.217 Start of MODEL 14 1 HA PRO 31 HA PRO 31 -0.473 12.894 7.159 2 HB2 PRO 31 2HB PRO 31 0.651 10.484 8.592 3 HB3 PRO 31 3HB PRO 31 1.525 11.848 7.830 4 HG2 PRO 31 2HG PRO 31 1.265 11.745 10.519 5 HG3 PRO 31 3HG PRO 31 0.996 13.299 9.661 6 HD2 PRO 31 2HD PRO 31 -1.078 11.290 10.603 7 HD3 PRO 31 3HD PRO 31 -1.057 13.062 10.849 8 H VAL 32 H VAL 32 -0.581 11.684 5.242 9 HA VAL 32 HA VAL 32 -2.896 9.983 5.118 10 HB VAL 32 HB VAL 32 -2.601 9.847 2.753 11 HG11 VAL 32 1HG1 VAL 32 -3.522 11.936 3.773 12 HG12 VAL 32 2HG1 VAL 32 -1.898 12.650 3.734 13 HG13 VAL 32 3HG1 VAL 32 -2.715 12.228 2.225 14 HG21 VAL 32 1HG2 VAL 32 -0.247 9.498 2.509 15 HG22 VAL 32 2HG2 VAL 32 -0.688 10.964 1.626 16 HG23 VAL 32 3HG2 VAL 32 0.124 11.092 3.205 17 H GLU 33 H GLU 33 0.256 9.151 5.849 18 HA GLU 33 HA GLU 33 0.185 6.379 4.884 19 HB2 GLU 33 2HB GLU 33 2.155 6.066 6.456 20 HB3 GLU 33 3HB GLU 33 2.289 7.127 5.076 21 HG2 GLU 33 2HG GLU 33 3.403 8.446 6.357 22 HG3 GLU 33 3HG GLU 33 1.812 8.986 6.803 23 H ALA 34 H ALA 34 0.019 7.815 8.122 24 HA ALA 34 HA ALA 34 -1.313 5.761 9.521 25 HB1 ALA 34 1HB ALA 34 -1.827 8.746 9.752 26 HB2 ALA 34 2HB ALA 34 -2.097 7.500 10.988 27 HB3 ALA 34 3HB ALA 34 -0.454 7.886 10.479 28 H ALA 35 H ALA 35 -2.866 8.207 7.389 29 HA ALA 35 HA ALA 35 -5.510 7.299 7.773 30 HB1 ALA 35 1HB ALA 35 -6.084 8.580 5.863 31 HB2 ALA 35 2HB ALA 35 -4.764 9.440 6.662 32 HB3 ALA 35 3HB ALA 35 -4.455 8.476 5.191 33 H ILE 36 H ILE 36 -3.162 6.143 5.203 34 HA ILE 36 HA ILE 36 -5.113 4.169 4.407 35 HB ILE 36 HB ILE 36 -3.699 3.081 3.050 36 HG12 ILE 36 2HG1 ILE 36 -1.584 4.505 4.383 37 HG13 ILE 36 3HG1 ILE 36 -1.790 2.766 4.023 38 HG21 ILE 36 1HG2 ILE 36 -4.806 5.129 2.278 39 HG22 ILE 36 2HG2 ILE 36 -3.290 6.027 2.587 40 HG23 ILE 36 3HG2 ILE 36 -3.350 4.715 1.375 41 HD11 ILE 36 1HD1 ILE 36 -0.924 4.928 2.051 42 HD12 ILE 36 2HD1 ILE 36 0.028 3.554 2.644 43 HD13 ILE 36 3HD1 ILE 36 -1.364 3.260 1.597 44 H ARG 37 H ARG 37 -2.335 3.919 6.610 45 HA ARG 37 HA ARG 37 -2.490 1.160 7.267 46 HB2 ARG 37 2HB ARG 37 -2.179 3.420 9.292 47 HB3 ARG 37 3HB ARG 37 -1.991 1.702 9.632 48 HG2 ARG 37 2HG ARG 37 -0.158 1.686 7.808 49 HG3 ARG 37 3HG ARG 37 -0.222 3.446 7.922 50 HD2 ARG 37 2HD ARG 37 0.044 3.061 10.498 51 HD3 ARG 37 3HD ARG 37 0.536 1.446 10.055 52 HE ARG 37 HE ARG 37 2.566 2.317 9.112 53 HH11 ARG 37 1HH1 ARG 37 0.638 4.940 10.483 54 HH12 ARG 37 2HH1 ARG 37 1.729 6.164 9.857 55 HH21 ARG 37 1HH2 ARG 37 4.092 3.942 8.744 56 HH22 ARG 37 2HH2 ARG 37 3.657 5.602 9.088 57 H THR 38 H THR 38 -4.554 3.720 8.724 58 HA THR 38 HA THR 38 -6.328 1.800 9.951 59 HB THR 38 HB THR 38 -6.429 4.746 9.447 60 HG1 THR 38 1HG THR 38 -5.496 3.310 11.251 61 HG21 THR 38 1HG2 THR 38 -8.743 4.345 9.080 62 HG22 THR 38 2HG2 THR 38 -8.604 4.753 10.793 63 HG23 THR 38 3HG2 THR 38 -8.811 3.060 10.304 64 H LYS 39 H LYS 39 -6.733 3.491 6.734 65 HA LYS 39 HA LYS 39 -9.227 2.264 6.171 66 HB2 LYS 39 2HB LYS 39 -8.061 4.119 4.871 67 HB3 LYS 39 3HB LYS 39 -7.025 2.884 4.153 68 HG2 LYS 39 2HG LYS 39 -8.705 3.212 2.551 69 HG3 LYS 39 3HG LYS 39 -9.211 1.739 3.363 70 HD2 LYS 39 2HD LYS 39 -10.666 3.328 4.867 71 HD3 LYS 39 3HD LYS 39 -10.281 4.568 3.682 72 HE2 LYS 39 2HE LYS 39 -12.403 3.695 3.103 73 HE3 LYS 39 3HE LYS 39 -11.282 3.079 1.886 74 HZ1 LYS 39 1HZ LYS 39 -12.942 1.488 2.953 75 HZ2 LYS 39 2HZ LYS 39 -12.035 1.531 4.301 76 HZ3 LYS 39 3HZ LYS 39 -11.415 0.932 2.841 77 H LEU 40 H LEU 40 -5.979 0.981 5.644 78 HA LEU 40 HA LEU 40 -6.773 -1.412 4.243 79 HB2 LEU 40 2HB LEU 40 -4.238 -0.340 5.515 80 HB3 LEU 40 3HB LEU 40 -4.305 -2.001 5.029 81 HG LEU 40 HG LEU 40 -3.287 -0.328 3.358 82 HD11 LEU 40 1HD1 LEU 40 -5.570 -2.157 2.467 83 HD12 LEU 40 2HD1 LEU 40 -3.929 -2.690 2.863 84 HD13 LEU 40 3HD1 LEU 40 -4.198 -1.637 1.459 85 HD21 LEU 40 1HD2 LEU 40 -6.159 0.311 2.653 86 HD22 LEU 40 2HD2 LEU 40 -4.692 0.714 1.727 87 HD23 LEU 40 3HD2 LEU 40 -4.927 1.417 3.310 88 H GLU 41 H GLU 41 -6.067 -0.710 7.690 89 HA GLU 41 HA GLU 41 -6.591 -3.382 8.654 90 HB2 GLU 41 2HB GLU 41 -6.654 -0.638 9.939 91 HB3 GLU 41 3HB GLU 41 -7.018 -2.120 10.830 92 HG2 GLU 41 2HG GLU 41 -4.836 -3.026 10.480 93 HG3 GLU 41 3HG GLU 41 -4.422 -1.811 9.278 94 H GLU 42 H GLU 42 -8.836 -0.658 7.909 95 HA GLU 42 HA GLU 42 -11.163 -2.184 8.765 96 HB2 GLU 42 2HB GLU 42 -11.627 0.022 8.789 97 HB3 GLU 42 3HB GLU 42 -10.548 0.421 7.456 98 HG2 GLU 42 2HG GLU 42 -12.112 -0.350 5.825 99 HG3 GLU 42 3HG GLU 42 -13.255 -0.895 7.080 100 H ALA 43 H ALA 43 -9.351 -1.944 5.716 101 HA ALA 43 HA ALA 43 -11.447 -3.208 4.190 102 HB1 ALA 43 1HB ALA 43 -8.599 -2.461 3.437 103 HB2 ALA 43 2HB ALA 43 -9.900 -2.903 2.315 104 HB3 ALA 43 3HB ALA 43 -10.041 -1.430 3.288 105 H LEU 44 H LEU 44 -8.087 -4.430 4.992 106 HA LEU 44 HA LEU 44 -8.920 -6.968 3.631 107 HB2 LEU 44 2HB LEU 44 -7.066 -7.060 2.334 108 HB3 LEU 44 3HB LEU 44 -8.031 -5.616 2.106 109 HG LEU 44 HG LEU 44 -6.267 -4.315 3.424 110 HD11 LEU 44 1HD1 LEU 44 -3.966 -5.304 3.362 111 HD12 LEU 44 2HD1 LEU 44 -4.671 -6.880 2.935 112 HD13 LEU 44 3HD1 LEU 44 -5.003 -6.144 4.519 113 HD21 LEU 44 1HD2 LEU 44 -5.741 -5.838 0.855 114 HD22 LEU 44 2HD2 LEU 44 -4.860 -4.350 1.319 115 HD23 LEU 44 3HD2 LEU 44 -6.622 -4.318 1.048 116 H SER 45 H SER 45 -8.201 -6.086 6.494 117 HA SER 45 HA SER 45 -7.300 -6.922 8.356 118 HB2 SER 45 2HB SER 45 -8.989 -8.606 7.837 119 HB3 SER 45 3HB SER 45 -7.720 -9.585 7.082 120 HG SER 45 HG SER 45 -8.349 -9.875 9.453 121 HA PRO 46 HA PRO 46 -3.109 -7.282 6.322 122 HB2 PRO 46 2HB PRO 46 -2.507 -5.310 8.486 123 HB3 PRO 46 3HB PRO 46 -1.888 -5.322 6.852 124 HG2 PRO 46 2HG PRO 46 -3.853 -3.634 7.637 125 HG3 PRO 46 3HG PRO 46 -3.985 -4.440 6.030 126 HD2 PRO 46 2HD PRO 46 -5.343 -5.161 8.636 127 HD3 PRO 46 3HD PRO 46 -5.992 -5.162 6.964 128 H GLU 47 H GLU 47 -1.198 -8.292 6.995 129 HA GLU 47 HA GLU 47 -0.839 -9.298 9.768 130 HB2 GLU 47 2HB GLU 47 -0.224 -10.568 7.583 131 HB3 GLU 47 3HB GLU 47 1.061 -9.398 7.433 132 HG2 GLU 47 2HG GLU 47 2.153 -10.939 8.580 133 HG3 GLU 47 3HG GLU 47 1.609 -10.020 9.947 134 H VAL 48 H VAL 48 0.654 -7.185 7.300 135 HA VAL 48 HA VAL 48 2.226 -5.617 9.280 136 HB VAL 48 HB VAL 48 3.050 -8.101 7.925 137 HG11 VAL 48 1HG1 VAL 48 5.200 -5.995 7.847 138 HG12 VAL 48 2HG1 VAL 48 5.173 -7.688 7.266 139 HG13 VAL 48 3HG1 VAL 48 4.255 -6.461 6.412 140 HG21 VAL 48 1HG2 VAL 48 3.226 -7.808 10.334 141 HG22 VAL 48 2HG2 VAL 48 4.807 -8.110 9.610 142 HG23 VAL 48 3HG2 VAL 48 4.370 -6.461 10.096 143 H LEU 49 H LEU 49 3.264 -3.764 8.337 144 HA LEU 49 HA LEU 49 3.267 -3.455 5.482 145 HB2 LEU 49 2HB LEU 49 1.905 -1.285 5.503 146 HB3 LEU 49 3HB LEU 49 1.099 -2.837 5.451 147 HG LEU 49 HG LEU 49 0.442 -2.684 7.795 148 HD11 LEU 49 1HD1 LEU 49 0.643 -0.506 8.984 149 HD12 LEU 49 2HD1 LEU 49 1.789 0.048 7.743 150 HD13 LEU 49 3HD1 LEU 49 2.188 -1.324 8.811 151 HD21 LEU 49 1HD2 LEU 49 -1.190 -0.879 7.498 152 HD22 LEU 49 2HD2 LEU 49 -1.001 -1.800 6.004 153 HD23 LEU 49 3HD2 LEU 49 -0.231 -0.204 6.158 154 H GLU 50 H GLU 50 4.468 -1.774 4.638 155 HA GLU 50 HA GLU 50 5.993 -0.030 6.479 156 HB2 GLU 50 2HB GLU 50 7.302 -1.962 4.524 157 HB3 GLU 50 3HB GLU 50 8.076 -0.670 5.416 158 HG2 GLU 50 2HG GLU 50 7.362 -1.831 7.554 159 HG3 GLU 50 3HG GLU 50 6.915 -3.228 6.560 160 H LEU 51 H LEU 51 6.477 1.903 5.432 161 HA LEU 51 HA LEU 51 6.232 2.017 2.509 162 HB2 LEU 51 2HB LEU 51 4.233 3.131 2.289 163 HB3 LEU 51 3HB LEU 51 3.880 1.885 3.479 164 HG LEU 51 HG LEU 51 4.436 4.764 3.948 165 HD11 LEU 51 1HD1 LEU 51 1.821 3.269 4.326 166 HD12 LEU 51 2HD1 LEU 51 2.220 4.330 2.949 167 HD13 LEU 51 3HD1 LEU 51 2.085 5.004 4.566 168 HD21 LEU 51 1HD2 LEU 51 5.160 3.549 5.932 169 HD22 LEU 51 2HD2 LEU 51 3.627 2.653 5.991 170 HD23 LEU 51 3HD2 LEU 51 3.676 4.405 6.312 171 H ARG 52 H ARG 52 6.463 4.060 1.542 172 HA ARG 52 HA ARG 52 8.097 6.098 3.011 173 HB2 ARG 52 2HB ARG 52 8.676 4.870 0.269 174 HB3 ARG 52 3HB ARG 52 9.583 6.164 1.016 175 HG2 ARG 52 2HG ARG 52 9.450 3.259 1.909 176 HG3 ARG 52 3HG ARG 52 10.803 4.074 1.131 177 HD2 ARG 52 2HD ARG 52 9.736 4.615 3.929 178 HD3 ARG 52 3HD ARG 52 11.226 3.767 3.500 179 HE ARG 52 HE ARG 52 11.117 6.486 2.425 180 HH11 ARG 52 1HH1 ARG 52 11.962 4.717 5.388 181 HH12 ARG 52 2HH1 ARG 52 12.992 6.056 5.883 182 HH21 ARG 52 1HH2 ARG 52 12.421 8.003 3.163 183 HH22 ARG 52 2HH2 ARG 52 13.315 7.770 4.666 184 H ASN 53 H ASN 53 7.644 8.246 2.322 185 HA ASN 53 HA ASN 53 6.226 8.501 -0.247 186 HB2 ASN 53 2HB ASN 53 5.396 10.589 0.435 187 HB3 ASN 53 3HB ASN 53 4.837 9.300 1.469 188 HD21 ASN 53 1HD2 ASN 53 4.147 10.920 3.008 189 HD22 ASN 53 2HD2 ASN 53 5.325 11.787 3.946 190 H GLU 54 H GLU 54 6.968 9.753 -1.766 191 HA GLU 54 HA GLU 54 9.827 10.662 -1.605 192 HB2 GLU 54 2HB GLU 54 9.988 10.091 -3.966 193 HB3 GLU 54 3HB GLU 54 9.525 8.698 -2.991 194 HG2 GLU 54 2HG GLU 54 7.129 9.058 -3.686 195 HG3 GLU 54 3HG GLU 54 7.674 10.396 -4.704 196 H SER 55 H SER 55 6.710 11.760 -1.824 197 HA SER 55 HA SER 55 6.612 14.069 -3.342 198 HB2 SER 55 2HB SER 55 4.814 14.602 -1.790 199 HB3 SER 55 3HB SER 55 4.864 12.885 -2.327 200 HG SER 55 HG SER 55 5.345 13.973 0.220 201 H GLY 56 H GLY 56 8.741 13.661 -0.742 202 HA2 GLY 56 2HA GLY 56 9.121 16.439 0.042 203 HA3 GLY 56 3HA GLY 56 10.286 15.125 0.196 204 H GLY 57 H GLY 57 9.857 14.681 -2.861 205 HA2 GLY 57 2HA GLY 57 11.543 16.832 -4.024 206 HA3 GLY 57 3HA GLY 57 10.972 15.360 -4.808 207 H HIS 58 H HIS 58 10.063 16.295 -6.561 208 HA HIS 58 HA HIS 58 8.449 17.086 -7.900 209 HB2 HIS 58 2HB HIS 58 6.780 16.530 -5.437 210 HB3 HIS 58 3HB HIS 58 6.080 16.852 -7.039 211 HD1 HIS 58 1HD HIS 58 6.798 14.993 -8.986 212 HD2 HIS 58 2HD HIS 58 7.825 14.104 -5.015 213 HE1 HIS 58 1HE HIS 58 7.594 12.589 -8.979 214 H ALA 59 H ALA 59 6.652 18.721 -8.371 215 HA ALA 59 HA ALA 59 7.717 21.347 -7.653 216 HB1 ALA 59 1HB ALA 59 6.253 22.169 -9.363 217 HB2 ALA 59 2HB ALA 59 7.038 20.699 -9.962 218 HB3 ALA 59 3HB ALA 59 5.340 20.644 -9.412 219 H VAL 60 H VAL 60 6.329 19.720 -5.552 220 HA VAL 60 HA VAL 60 3.963 21.363 -4.820 221 HB VAL 60 HB VAL 60 3.499 19.580 -3.191 222 HG11 VAL 60 1HG1 VAL 60 4.001 18.442 -5.960 223 HG12 VAL 60 2HG1 VAL 60 2.859 17.851 -4.749 224 HG13 VAL 60 3HG1 VAL 60 2.603 19.435 -5.493 225 HG21 VAL 60 1HG2 VAL 60 4.746 17.426 -3.293 226 HG22 VAL 60 2HG2 VAL 60 5.992 18.233 -4.252 227 HG23 VAL 60 3HG2 VAL 60 5.681 18.756 -2.598 228 HA PRO 61 HA PRO 61 6.221 23.453 -1.614 229 HB2 PRO 61 2HB PRO 61 4.345 23.754 0.392 230 HB3 PRO 61 3HB PRO 61 4.354 24.689 -1.134 231 HG2 PRO 61 2HG PRO 61 2.763 22.186 -0.481 232 HG3 PRO 61 3HG PRO 61 2.165 23.718 -1.202 233 HD2 PRO 61 2HD PRO 61 2.773 21.587 -2.743 234 HD3 PRO 61 3HD PRO 61 3.179 23.233 -3.284 235 HA PRO 62 HA PRO 62 7.894 20.444 1.185 236 HB2 PRO 62 2HB PRO 62 8.367 21.848 3.523 237 HB3 PRO 62 3HB PRO 62 9.366 21.975 2.046 238 HG2 PRO 62 2HG PRO 62 7.059 23.753 2.897 239 HG3 PRO 62 3HG PRO 62 8.696 24.259 2.357 240 HD2 PRO 62 2HD PRO 62 6.641 24.274 0.645 241 HD3 PRO 62 3HD PRO 62 8.220 23.636 0.099 242 H GLY 63 H GLY 63 7.438 19.094 2.972 243 HA2 GLY 63 2HA GLY 63 6.127 18.003 4.525 244 HA3 GLY 63 3HA GLY 63 5.128 19.446 4.690 245 H SER 64 H SER 64 5.266 18.438 1.377 246 HA SER 64 HA SER 64 2.493 17.564 1.480 247 HB2 SER 64 2HB SER 64 4.421 17.849 -0.838 248 HB3 SER 64 3HB SER 64 2.691 17.478 -0.971 249 HG SER 64 HG SER 64 3.980 19.852 -0.250 250 H GLU 65 H GLU 65 1.787 15.736 0.416 251 HA GLU 65 HA GLU 65 3.351 13.251 1.004 252 HB2 GLU 65 2HB GLU 65 0.475 13.390 1.750 253 HB3 GLU 65 3HB GLU 65 1.793 12.458 2.427 254 HG2 GLU 65 2HG GLU 65 2.614 14.461 3.604 255 HG3 GLU 65 3HG GLU 65 1.312 15.428 2.890 256 H THR 66 H THR 66 2.637 14.422 -1.723 257 HA THR 66 HA THR 66 0.224 13.265 -2.690 258 HB THR 66 HB THR 66 1.101 13.965 -4.927 259 HG1 THR 66 1HG THR 66 3.055 14.939 -5.043 260 HG21 THR 66 1HG2 THR 66 1.161 16.333 -4.565 261 HG22 THR 66 2HG2 THR 66 1.616 16.143 -2.840 262 HG23 THR 66 3HG2 THR 66 -0.002 15.648 -3.423 263 H HIS 67 H HIS 67 3.327 11.937 -2.334 264 HA HIS 67 HA HIS 67 3.060 10.089 -4.668 265 HB2 HIS 67 2HB HIS 67 4.553 12.458 -4.389 266 HB3 HIS 67 3HB HIS 67 5.703 11.231 -4.021 267 HD1 HIS 67 1HD HIS 67 6.706 10.277 -6.492 268 HD2 HIS 67 2HD HIS 67 2.966 12.151 -6.487 269 HE1 HIS 67 1HE HIS 67 6.067 10.512 -8.934 270 H PHE 68 H PHE 68 3.454 8.043 -4.201 271 HA PHE 68 HA PHE 68 4.795 7.463 -1.623 272 HB2 PHE 68 2HB PHE 68 2.073 7.867 -2.225 273 HB3 PHE 68 3HB PHE 68 2.064 6.233 -1.822 274 HD1 PHE 68 1HD PHE 68 2.036 9.602 -0.738 275 HD2 PHE 68 2HD PHE 68 3.328 5.714 0.607 276 HE1 PHE 68 1HE PHE 68 1.923 10.373 1.603 277 HE2 PHE 68 2HE PHE 68 3.198 6.528 2.982 278 HZ PHE 68 HZ PHE 68 2.466 8.828 3.460 279 H ARG 69 H ARG 69 5.453 5.480 -1.093 280 HA ARG 69 HA ARG 69 5.289 3.226 -3.045 281 HB2 ARG 69 2HB ARG 69 7.681 4.636 -2.160 282 HB3 ARG 69 3HB ARG 69 7.675 3.034 -1.448 283 HG2 ARG 69 2HG ARG 69 8.866 2.887 -3.470 284 HG3 ARG 69 3HG ARG 69 7.337 2.037 -3.729 285 HD2 ARG 69 2HD ARG 69 6.465 3.966 -4.987 286 HD3 ARG 69 3HD ARG 69 7.906 4.900 -4.586 287 HE ARG 69 HE ARG 69 8.144 2.352 -6.137 288 HH11 ARG 69 1HH1 ARG 69 8.811 5.862 -6.179 289 HH12 ARG 69 2HH1 ARG 69 9.897 5.594 -7.545 290 HH21 ARG 69 1HH2 ARG 69 9.322 2.332 -8.003 291 HH22 ARG 69 2HH2 ARG 69 10.161 3.799 -8.463 292 H VAL 70 H VAL 70 4.190 1.586 -2.070 293 HA VAL 70 HA VAL 70 4.292 1.418 0.935 294 HB VAL 70 HB VAL 70 1.783 0.789 -0.623 295 HG11 VAL 70 1HG1 VAL 70 2.154 -0.082 1.816 296 HG12 VAL 70 2HG1 VAL 70 2.050 1.608 2.295 297 HG13 VAL 70 3HG1 VAL 70 0.680 0.846 1.488 298 HG21 VAL 70 1HG2 VAL 70 2.530 3.439 0.680 299 HG22 VAL 70 2HG2 VAL 70 2.135 3.159 -1.027 300 HG23 VAL 70 3HG2 VAL 70 0.884 2.987 0.207 301 H ALA 71 H ALA 71 4.522 -0.494 1.865 302 HA ALA 71 HA ALA 71 4.272 -2.948 0.125 303 HB1 ALA 71 1HB ALA 71 6.631 -2.556 0.789 304 HB2 ALA 71 2HB ALA 71 6.140 -2.612 2.501 305 HB3 ALA 71 3HB ALA 71 5.953 -4.048 1.486 306 H VAL 72 H VAL 72 2.734 -4.344 0.704 307 HA VAL 72 HA VAL 72 1.606 -4.169 3.457 308 HB VAL 72 HB VAL 72 -0.685 -4.503 2.461 309 HG11 VAL 72 1HG1 VAL 72 -1.081 -2.115 2.147 310 HG12 VAL 72 2HG1 VAL 72 0.029 -2.389 3.494 311 HG13 VAL 72 3HG1 VAL 72 0.658 -1.835 1.933 312 HG21 VAL 72 1HG2 VAL 72 -1.167 -3.599 0.243 313 HG22 VAL 72 2HG2 VAL 72 0.558 -3.332 -0.069 314 HG23 VAL 72 3HG2 VAL 72 -0.077 -4.977 0.089 315 H VAL 73 H VAL 73 1.629 -6.000 4.439 316 HA VAL 73 HA VAL 73 1.683 -8.564 2.930 317 HB VAL 73 HB VAL 73 2.591 -7.966 5.744 318 HG11 VAL 73 1HG1 VAL 73 2.930 -10.469 4.069 319 HG12 VAL 73 2HG1 VAL 73 3.564 -10.217 5.709 320 HG13 VAL 73 3HG1 VAL 73 1.822 -10.321 5.447 321 HG21 VAL 73 1HG2 VAL 73 4.160 -7.028 3.975 322 HG22 VAL 73 2HG2 VAL 73 4.870 -8.280 4.998 323 HG23 VAL 73 3HG2 VAL 73 4.367 -8.693 3.378 324 H SER 74 H SER 74 -0.134 -9.729 2.989 325 HA SER 74 HA SER 74 -1.735 -9.973 5.442 326 HB2 SER 74 2HB SER 74 -2.838 -8.014 4.459 327 HB3 SER 74 3HB SER 74 -3.000 -8.857 2.905 328 HG SER 74 HG SER 74 -4.885 -8.943 4.541 329 H SER 75 H SER 75 -2.832 -11.898 5.546 330 HA SER 75 HA SER 75 -2.236 -14.062 3.784 331 HB2 SER 75 2HB SER 75 -4.512 -13.655 5.759 332 HB3 SER 75 3HB SER 75 -4.157 -15.193 4.944 333 HG SER 75 HG SER 75 -2.582 -13.734 6.795 334 H ARG 76 H ARG 76 -4.757 -11.642 3.578 335 HA ARG 76 HA ARG 76 -6.475 -12.995 1.679 336 HB2 ARG 76 2HB ARG 76 -6.025 -10.054 2.349 337 HB3 ARG 76 3HB ARG 76 -7.143 -10.608 1.120 338 HG2 ARG 76 2HG ARG 76 -8.081 -12.178 3.067 339 HG3 ARG 76 3HG ARG 76 -7.248 -11.023 4.123 340 HD2 ARG 76 2HD ARG 76 -8.528 -9.195 2.823 341 HD3 ARG 76 3HD ARG 76 -9.502 -10.494 2.134 342 HE ARG 76 HE ARG 76 -9.809 -9.294 4.705 343 HH11 ARG 76 1HH1 ARG 76 -10.354 -12.509 3.242 344 HH12 ARG 76 2HH1 ARG 76 -11.344 -12.918 4.641 345 HH21 ARG 76 1HH2 ARG 76 -11.172 -9.971 6.200 346 HH22 ARG 76 2HH2 ARG 76 -11.809 -11.617 6.135 347 H PHE 77 H PHE 77 -3.371 -11.657 1.196 348 HA PHE 77 HA PHE 77 -3.677 -11.407 -1.715 349 HB2 PHE 77 2HB PHE 77 -1.306 -10.997 0.139 350 HB3 PHE 77 3HB PHE 77 -1.321 -10.695 -1.573 351 HD1 PHE 77 1HD PHE 77 -3.931 -9.246 -1.982 352 HD2 PHE 77 2HD PHE 77 -0.906 -8.882 1.070 353 HE1 PHE 77 1HE PHE 77 -4.521 -6.865 -1.672 354 HE2 PHE 77 2HE PHE 77 -1.507 -6.507 1.384 355 HZ PHE 77 HZ PHE 77 -3.291 -5.478 -0.014 356 H GLU 78 H GLU 78 -3.230 -14.035 0.393 357 HA GLU 78 HA GLU 78 -1.473 -15.397 -1.451 358 HB2 GLU 78 2HB GLU 78 -1.077 -16.891 0.230 359 HB3 GLU 78 3HB GLU 78 -1.651 -15.586 1.242 360 HG2 GLU 78 2HG GLU 78 -4.001 -16.696 1.006 361 HG3 GLU 78 3HG GLU 78 -3.145 -18.086 0.349 362 H GLY 79 H GLY 79 -1.924 -17.459 -2.430 363 HA2 GLY 79 2HA GLY 79 -3.354 -18.984 -3.526 364 HA3 GLY 79 3HA GLY 79 -4.780 -18.044 -3.084 365 H LEU 80 H LEU 80 -1.873 -16.702 -4.526 366 HA LEU 80 HA LEU 80 -3.301 -15.756 -6.981 367 HB2 LEU 80 2HB LEU 80 -2.280 -14.228 -4.568 368 HB3 LEU 80 3HB LEU 80 -2.428 -13.436 -6.127 369 HG LEU 80 HG LEU 80 -4.859 -14.902 -5.221 370 HD11 LEU 80 1HD1 LEU 80 -5.598 -13.151 -3.680 371 HD12 LEU 80 2HD1 LEU 80 -3.981 -12.407 -3.755 372 HD13 LEU 80 3HD1 LEU 80 -4.200 -14.038 -3.078 373 HD21 LEU 80 1HD2 LEU 80 -5.962 -12.921 -6.032 374 HD22 LEU 80 2HD2 LEU 80 -4.706 -13.409 -7.193 375 HD23 LEU 80 3HD2 LEU 80 -4.406 -12.045 -6.092 376 H SER 81 H SER 81 -1.895 -15.236 -8.648 377 HA SER 81 HA SER 81 0.987 -15.562 -8.481 378 HB2 SER 81 2HB SER 81 0.033 -15.855 -10.609 379 HB3 SER 81 3HB SER 81 -0.940 -14.390 -10.473 380 HG SER 81 HG SER 81 0.859 -14.195 -11.856 381 HA PRO 82 HA PRO 82 2.173 -11.661 -6.643 382 HB2 PRO 82 2HB PRO 82 4.183 -11.459 -8.890 383 HB3 PRO 82 3HB PRO 82 4.411 -11.173 -7.136 384 HG2 PRO 82 2HG PRO 82 5.189 -13.516 -8.211 385 HG3 PRO 82 3HG PRO 82 4.293 -13.512 -6.657 386 HD2 PRO 82 2HD PRO 82 3.230 -14.060 -9.439 387 HD3 PRO 82 3HD PRO 82 2.911 -14.925 -7.908 388 H LEU 83 H LEU 83 2.148 -11.404 -10.246 389 HA LEU 83 HA LEU 83 1.395 -8.632 -10.227 390 HB2 LEU 83 2HB LEU 83 1.170 -8.805 -12.594 391 HB3 LEU 83 3HB LEU 83 2.604 -9.642 -12.035 392 HG LEU 83 HG LEU 83 1.191 -11.822 -12.244 393 HD11 LEU 83 1HD1 LEU 83 -1.051 -10.793 -12.676 394 HD12 LEU 83 2HD1 LEU 83 -0.502 -11.766 -14.025 395 HD13 LEU 83 3HD1 LEU 83 -0.387 -9.991 -14.113 396 HD21 LEU 83 1HD2 LEU 83 1.793 -11.989 -14.634 397 HD22 LEU 83 2HD2 LEU 83 3.086 -11.234 -13.694 398 HD23 LEU 83 3HD2 LEU 83 2.024 -10.227 -14.704 399 H GLN 84 H GLN 84 -0.470 -11.472 -9.770 400 HA GLN 84 HA GLN 84 -3.057 -10.329 -10.528 401 HB2 GLN 84 2HB GLN 84 -2.322 -12.683 -10.904 402 HB3 GLN 84 3HB GLN 84 -2.306 -12.911 -9.151 403 HG2 GLN 84 2HG GLN 84 -4.790 -12.302 -9.202 404 HG3 GLN 84 3HG GLN 84 -4.698 -12.524 -10.952 405 HE21 GLN 84 1HE2 GLN 84 -6.210 -14.202 -9.031 406 HE22 GLN 84 2HE2 GLN 84 -5.489 -15.817 -9.161 407 H ARG 85 H ARG 85 -1.323 -11.083 -7.440 408 HA ARG 85 HA ARG 85 -3.449 -9.932 -5.767 409 HB2 ARG 85 2HB ARG 85 -1.806 -9.970 -3.950 410 HB3 ARG 85 3HB ARG 85 -1.943 -11.529 -4.756 411 HG2 ARG 85 2HG ARG 85 0.130 -11.085 -6.002 412 HG3 ARG 85 3HG ARG 85 0.296 -9.518 -5.241 413 HD2 ARG 85 2HD ARG 85 0.369 -10.773 -3.000 414 HD3 ARG 85 3HD ARG 85 0.407 -12.278 -3.923 415 HE ARG 85 HE ARG 85 2.472 -10.085 -4.078 416 HH11 ARG 85 1HH1 ARG 85 1.963 -13.581 -3.755 417 HH12 ARG 85 2HH1 ARG 85 3.666 -13.872 -3.952 418 HH21 ARG 85 1HH2 ARG 85 4.485 -10.578 -4.543 419 HH22 ARG 85 2HH2 ARG 85 5.074 -12.218 -4.246 420 H HIS 86 H HIS 86 -0.509 -8.633 -7.291 421 HA HIS 86 HA HIS 86 -0.848 -5.907 -6.449 422 HB2 HIS 86 2HB HIS 86 0.438 -7.409 -8.679 423 HB3 HIS 86 3HB HIS 86 0.236 -5.649 -8.883 424 HD1 HIS 86 1HD HIS 86 2.682 -4.781 -8.458 425 HD2 HIS 86 2HD HIS 86 1.406 -7.753 -5.784 426 HE1 HIS 86 1HE HIS 86 4.470 -4.945 -6.664 427 H ARG 87 H ARG 87 -2.206 -7.574 -9.400 428 HA ARG 87 HA ARG 87 -3.856 -5.441 -10.213 429 HB2 ARG 87 2HB ARG 87 -3.412 -7.422 -11.606 430 HB3 ARG 87 3HB ARG 87 -4.316 -8.441 -10.490 431 HG2 ARG 87 2HG ARG 87 -5.635 -7.958 -12.475 432 HG3 ARG 87 3HG ARG 87 -6.407 -7.274 -11.048 433 HD2 ARG 87 2HD ARG 87 -5.476 -5.035 -11.635 434 HD3 ARG 87 3HD ARG 87 -4.693 -5.750 -13.052 435 HE ARG 87 HE ARG 87 -7.667 -5.818 -12.641 436 HH11 ARG 87 1HH1 ARG 87 -4.991 -5.116 -14.891 437 HH12 ARG 87 2HH1 ARG 87 -6.162 -4.704 -16.139 438 HH21 ARG 87 1HH2 ARG 87 -8.944 -4.959 -14.289 439 HH22 ARG 87 2HH2 ARG 87 -8.168 -4.652 -15.848 440 H LEU 88 H LEU 88 -4.629 -7.977 -7.813 441 HA LEU 88 HA LEU 88 -7.264 -7.201 -7.196 442 HB2 LEU 88 2HB LEU 88 -5.800 -9.162 -6.367 443 HB3 LEU 88 3HB LEU 88 -5.246 -8.099 -5.098 444 HG LEU 88 HG LEU 88 -8.198 -8.680 -5.543 445 HD11 LEU 88 1HD1 LEU 88 -7.979 -10.356 -3.744 446 HD12 LEU 88 2HD1 LEU 88 -6.222 -10.108 -3.704 447 HD13 LEU 88 3HD1 LEU 88 -7.002 -10.800 -5.144 448 HD21 LEU 88 1HD2 LEU 88 -7.772 -6.731 -4.085 449 HD22 LEU 88 2HD2 LEU 88 -6.624 -7.681 -3.115 450 HD23 LEU 88 3HD2 LEU 88 -8.353 -8.083 -3.126 451 H VAL 89 H VAL 89 -4.222 -5.983 -5.667 452 HA VAL 89 HA VAL 89 -5.510 -3.886 -4.178 453 HB VAL 89 HB VAL 89 -2.686 -3.915 -5.325 454 HG11 VAL 89 1HG1 VAL 89 -3.859 -2.117 -3.157 455 HG12 VAL 89 2HG1 VAL 89 -2.145 -2.242 -3.579 456 HG13 VAL 89 3HG1 VAL 89 -3.283 -1.586 -4.752 457 HG21 VAL 89 1HG2 VAL 89 -3.774 -4.574 -2.556 458 HG22 VAL 89 2HG2 VAL 89 -3.085 -5.731 -3.718 459 HG23 VAL 89 3HG2 VAL 89 -2.059 -4.486 -2.997 460 H HIS 90 H HIS 90 -4.404 -3.865 -7.515 461 HA HIS 90 HA HIS 90 -4.736 -1.002 -7.799 462 HB2 HIS 90 2HB HIS 90 -4.290 -3.168 -9.912 463 HB3 HIS 90 3HB HIS 90 -4.156 -1.443 -10.193 464 HD1 HIS 90 1HD HIS 90 -1.738 -2.941 -11.042 465 HD2 HIS 90 2HD HIS 90 -2.294 -1.659 -7.072 466 HE1 HIS 90 1HE HIS 90 0.577 -2.765 -10.017 467 H ALA 91 H ALA 91 -6.861 -3.720 -8.514 468 HA ALA 91 HA ALA 91 -8.860 -1.877 -9.715 469 HB1 ALA 91 1HB ALA 91 -8.972 -4.884 -9.240 470 HB2 ALA 91 2HB ALA 91 -10.139 -3.903 -10.154 471 HB3 ALA 91 3HB ALA 91 -8.486 -4.094 -10.755 472 H ALA 92 H ALA 92 -8.652 -4.093 -6.874 473 HA ALA 92 HA ALA 92 -11.197 -3.059 -5.931 474 HB1 ALA 92 1HB ALA 92 -9.360 -5.097 -4.636 475 HB2 ALA 92 2HB ALA 92 -11.074 -4.818 -4.296 476 HB3 ALA 92 3HB ALA 92 -10.588 -5.471 -5.872 477 H LEU 93 H LEU 93 -7.753 -2.371 -5.033 478 HA LEU 93 HA LEU 93 -8.909 -0.800 -2.726 479 HB2 LEU 93 2HB LEU 93 -6.140 -1.973 -3.028 480 HB3 LEU 93 3HB LEU 93 -6.549 -0.766 -1.862 481 HG LEU 93 HG LEU 93 -6.598 -2.555 -0.565 482 HD11 LEU 93 1HD1 LEU 93 -9.516 -2.523 -1.413 483 HD12 LEU 93 2HD1 LEU 93 -8.757 -1.392 -0.262 484 HD13 LEU 93 3HD1 LEU 93 -8.848 -3.118 0.108 485 HD21 LEU 93 1HD2 LEU 93 -7.596 -4.740 -1.186 486 HD22 LEU 93 2HD2 LEU 93 -6.239 -4.192 -2.190 487 HD23 LEU 93 3HD2 LEU 93 -7.906 -4.078 -2.808 488 H ALA 94 H ALA 94 -8.415 -0.122 -5.801 489 HA ALA 94 HA ALA 94 -6.513 1.902 -5.799 490 HB1 ALA 94 1HB ALA 94 -7.623 0.904 -7.801 491 HB2 ALA 94 2HB ALA 94 -9.120 1.770 -7.412 492 HB3 ALA 94 3HB ALA 94 -7.658 2.672 -7.869 493 H GLU 95 H GLU 95 -9.927 2.288 -4.789 494 HA GLU 95 HA GLU 95 -9.557 5.204 -4.482 495 HB2 GLU 95 2HB GLU 95 -11.806 3.305 -3.696 496 HB3 GLU 95 3HB GLU 95 -11.907 5.070 -3.621 497 HG2 GLU 95 2HG GLU 95 -11.823 5.250 -6.029 498 HG3 GLU 95 3HG GLU 95 -11.506 3.520 -6.209 499 H GLU 96 H GLU 96 -9.005 2.372 -2.501 500 HA GLU 96 HA GLU 96 -9.429 3.686 0.027 501 HB2 GLU 96 2HB GLU 96 -8.594 0.909 -0.950 502 HB3 GLU 96 3HB GLU 96 -9.007 1.385 0.665 503 HG2 GLU 96 2HG GLU 96 -11.264 2.247 -0.428 504 HG3 GLU 96 3HG GLU 96 -10.781 1.219 -1.760 505 H LEU 97 H LEU 97 -6.772 2.417 -1.988 506 HA LEU 97 HA LEU 97 -4.731 3.535 -0.170 507 HB2 LEU 97 2HB LEU 97 -4.960 1.188 -1.308 508 HB3 LEU 97 3HB LEU 97 -4.209 1.949 -2.695 509 HG LEU 97 HG LEU 97 -3.007 1.938 0.124 510 HD11 LEU 97 1HD1 LEU 97 -3.282 -0.367 -0.682 511 HD12 LEU 97 2HD1 LEU 97 -1.571 0.092 -0.680 512 HD13 LEU 97 3HD1 LEU 97 -2.481 0.055 -2.211 513 HD21 LEU 97 1HD2 LEU 97 -1.802 2.496 -2.621 514 HD22 LEU 97 2HD2 LEU 97 -0.865 2.311 -1.128 515 HD23 LEU 97 3HD2 LEU 97 -1.993 3.657 -1.285 516 H GLY 98 H GLY 98 -5.954 4.045 -3.551 517 HA2 GLY 98 2HA GLY 98 -4.121 6.351 -3.945 518 HA3 GLY 98 3HA GLY 98 -5.272 5.663 -5.098 519 H GLY 99 H GLY 99 -6.375 6.011 -1.931 520 HA2 GLY 99 2HA GLY 99 -8.501 7.925 -2.608 521 HA3 GLY 99 3HA GLY 99 -8.181 7.232 -1.017 522 HA PRO 100 HA PRO 100 -6.011 11.016 -0.084 523 HB2 PRO 100 2HB PRO 100 -4.657 10.416 2.115 524 HB3 PRO 100 3HB PRO 100 -6.401 10.035 2.017 525 HG2 PRO 100 2HG PRO 100 -4.123 8.111 1.443 526 HG3 PRO 100 3HG PRO 100 -5.455 7.911 2.631 527 HD2 PRO 100 2HD PRO 100 -5.624 6.957 0.057 528 HD3 PRO 100 3HD PRO 100 -7.046 7.587 0.944 529 H VAL 101 H VAL 101 -4.521 8.961 -2.046 530 HA VAL 101 HA VAL 101 -1.939 10.438 -2.053 531 HB VAL 101 HB VAL 101 -2.122 7.387 -2.312 532 HG11 VAL 101 1HG1 VAL 101 -0.631 8.244 -3.963 533 HG12 VAL 101 2HG1 VAL 101 0.232 9.179 -2.695 534 HG13 VAL 101 3HG1 VAL 101 0.120 7.389 -2.644 535 HG21 VAL 101 1HG2 VAL 101 -0.606 7.413 -0.409 536 HG22 VAL 101 2HG2 VAL 101 -0.765 9.181 -0.283 537 HG23 VAL 101 3HG2 VAL 101 -2.162 8.118 0.013 538 H HIS 102 H HIS 102 -1.098 10.973 -4.039 539 HA HIS 102 HA HIS 102 -3.066 10.910 -6.253 540 HB2 HIS 102 2HB HIS 102 -0.654 12.673 -5.724 541 HB3 HIS 102 3HB HIS 102 -1.672 12.781 -7.148 542 HD1 HIS 102 1HD HIS 102 -3.977 14.043 -6.874 543 HD2 HIS 102 2HD HIS 102 -1.778 13.440 -3.350 544 HE1 HIS 102 1HE HIS 102 -5.203 15.341 -5.045 545 H ALA 103 H ALA 103 0.341 9.996 -5.619 546 HA ALA 103 HA ALA 103 0.172 8.294 -8.036 547 HB1 ALA 103 1HB ALA 103 2.180 8.943 -8.962 548 HB2 ALA 103 2HB ALA 103 1.505 10.507 -8.449 549 HB3 ALA 103 3HB ALA 103 2.733 9.655 -7.451 550 H LEU 104 H LEU 104 1.474 6.477 -8.010 551 HA LEU 104 HA LEU 104 2.421 5.576 -5.345 552 HB2 LEU 104 2HB LEU 104 -0.218 5.030 -6.596 553 HB3 LEU 104 3HB LEU 104 0.580 3.591 -5.982 554 HG LEU 104 HG LEU 104 0.489 6.067 -4.282 555 HD11 LEU 104 1HD1 LEU 104 -1.756 4.042 -4.478 556 HD12 LEU 104 2HD1 LEU 104 -1.820 5.768 -4.914 557 HD13 LEU 104 3HD1 LEU 104 -1.573 5.303 -3.225 558 HD21 LEU 104 1HD2 LEU 104 0.535 4.448 -2.438 559 HD22 LEU 104 2HD2 LEU 104 1.893 4.164 -3.542 560 HD23 LEU 104 3HD2 LEU 104 0.467 3.109 -3.596 561 H ALA 105 H ALA 105 3.651 3.825 -5.197 562 HA ALA 105 HA ALA 105 3.110 1.739 -7.193 563 HB1 ALA 105 1HB ALA 105 5.328 0.966 -7.475 564 HB2 ALA 105 2HB ALA 105 5.385 2.707 -7.805 565 HB3 ALA 105 3HB ALA 105 5.950 2.067 -6.237 566 H ILE 106 H ILE 106 2.867 -0.335 -6.260 567 HA ILE 106 HA ILE 106 3.210 -0.438 -3.319 568 HB ILE 106 HB ILE 106 1.212 -1.681 -3.095 569 HG12 ILE 106 2HG1 ILE 106 -0.466 -1.511 -5.154 570 HG13 ILE 106 3HG1 ILE 106 1.018 -1.586 -6.087 571 HG21 ILE 106 1HG2 ILE 106 -0.380 0.097 -3.398 572 HG22 ILE 106 2HG2 ILE 106 1.187 0.804 -2.974 573 HG23 ILE 106 3HG2 ILE 106 0.615 0.848 -4.657 574 HD11 ILE 106 1HD1 ILE 106 0.145 -3.652 -4.018 575 HD12 ILE 106 2HD1 ILE 106 -0.089 -3.785 -5.772 576 HD13 ILE 106 3HD1 ILE 106 1.547 -3.787 -5.106 577 H GLN 107 H GLN 107 3.550 -2.447 -2.353 578 HA GLN 107 HA GLN 107 3.884 -4.763 -4.179 579 HB2 GLN 107 2HB GLN 107 5.510 -4.216 -1.680 580 HB3 GLN 107 3HB GLN 107 5.295 -5.814 -2.406 581 HG2 GLN 107 2HG GLN 107 6.252 -4.922 -4.563 582 HG3 GLN 107 3HG GLN 107 6.628 -3.421 -3.710 583 HE21 GLN 107 1HE2 GLN 107 8.878 -4.432 -4.652 584 HE22 GLN 107 2HE2 GLN 107 9.692 -5.553 -3.561 585 H ALA 108 H ALA 108 2.320 -6.182 -3.873 586 HA ALA 108 HA ALA 108 0.959 -6.404 -1.216 587 HB1 ALA 108 1HB ALA 108 -0.529 -6.137 -3.187 588 HB2 ALA 108 2HB ALA 108 0.166 -7.598 -3.899 589 HB3 ALA 108 3HB ALA 108 -0.743 -7.701 -2.380 590 H ARG 109 H ARG 109 1.393 -8.147 0.046 591 HA ARG 109 HA ARG 109 3.181 -10.345 -0.964 592 HB2 ARG 109 2HB ARG 109 3.564 -8.535 1.432 593 HB3 ARG 109 3HB ARG 109 4.636 -9.874 1.014 594 HG2 ARG 109 2HG ARG 109 4.222 -7.319 -0.607 595 HG3 ARG 109 3HG ARG 109 5.523 -7.594 0.516 596 HD2 ARG 109 2HD ARG 109 5.069 -9.356 -1.933 597 HD3 ARG 109 3HD ARG 109 6.046 -7.890 -1.951 598 HE ARG 109 HE ARG 109 6.825 -10.477 -0.918 599 HH11 ARG 109 1HH1 ARG 109 7.693 -7.036 -0.754 600 HH12 ARG 109 2HH1 ARG 109 9.034 -7.360 0.272 601 HH21 ARG 109 1HH2 ARG 109 8.864 -10.732 0.081 602 HH22 ARG 109 2HH2 ARG 109 9.728 -9.273 0.553 603 H THR 110 H THR 110 3.337 -12.197 0.402 604 HA THR 110 HA THR 110 0.962 -12.587 2.151 605 HB THR 110 HB THR 110 1.237 -14.909 1.950 606 HG1 THR 110 1HG THR 110 2.899 -15.813 0.763 607 HG21 THR 110 1HG2 THR 110 0.935 -15.278 -0.408 608 HG22 THR 110 2HG2 THR 110 1.788 -13.780 -0.822 609 HG23 THR 110 3HG2 THR 110 0.212 -13.715 0.001 610 HA PRO 111 HA PRO 111 3.512 -12.681 5.781 611 HB2 PRO 111 2HB PRO 111 2.148 -14.343 7.484 612 HB3 PRO 111 3HB PRO 111 1.765 -12.621 7.156 613 HG2 PRO 111 2HG PRO 111 0.473 -15.063 5.945 614 HG3 PRO 111 3HG PRO 111 -0.304 -13.577 6.562 615 HD2 PRO 111 2HD PRO 111 0.163 -13.953 3.882 616 HD3 PRO 111 3HD PRO 111 0.275 -12.342 4.648 617 H ALA 112 H ALA 112 2.407 -15.911 4.374 618 HA ALA 112 HA ALA 112 4.527 -17.249 5.657 619 HB1 ALA 112 1HB ALA 112 2.585 -18.389 4.635 620 HB2 ALA 112 2HB ALA 112 3.169 -17.950 3.010 621 HB3 ALA 112 3HB ALA 112 4.102 -19.069 4.022 622 H GLN 113 H GLN 113 4.781 -15.345 2.610 623 HA GLN 113 HA GLN 113 7.607 -16.137 2.302 624 HB2 GLN 113 2HB GLN 113 7.859 -14.630 0.620 625 HB3 GLN 113 3HB GLN 113 6.252 -15.297 0.395 626 HG2 GLN 113 2HG GLN 113 5.340 -13.242 1.483 627 HG3 GLN 113 3HG GLN 113 6.953 -12.529 1.456 628 HE21 GLN 113 1HE2 GLN 113 7.890 -12.992 -1.103 629 HE22 GLN 113 2HE2 GLN 113 6.672 -12.656 -2.314 630 H TRP 114 H TRP 114 5.922 -13.221 3.747 631 HA TRP 114 HA TRP 114 8.292 -11.873 4.571 632 HB2 TRP 114 2HB TRP 114 6.037 -10.898 4.454 633 HB3 TRP 114 3HB TRP 114 5.544 -11.837 5.858 634 HD1 TRP 114 HD1 TRP 114 6.398 -11.086 8.241 635 HE1 TRP 114 HE1 TRP 114 7.382 -8.887 9.131 636 HE3 TRP 114 HE3 TRP 114 7.693 -8.920 3.780 637 HZ2 TRP 114 HZ2 TRP 114 8.492 -6.469 8.047 638 HZ3 TRP 114 HZ3 TRP 114 8.662 -6.631 3.741 639 HH2 TRP 114 HH2 TRP 114 9.027 -5.400 5.857 640 H ARG 115 H ARG 115 6.508 -14.339 6.307 641 HA ARG 115 HA ARG 115 7.679 -14.137 8.928 642 HB2 ARG 115 2HB ARG 115 6.445 -16.500 7.462 643 HB3 ARG 115 3HB ARG 115 6.832 -16.497 9.171 644 HG2 ARG 115 2HG ARG 115 5.023 -14.312 8.187 645 HG3 ARG 115 3HG ARG 115 4.406 -15.938 8.161 646 HD2 ARG 115 2HD ARG 115 4.049 -16.036 10.313 647 HD3 ARG 115 3HD ARG 115 5.624 -15.391 10.751 648 HE ARG 115 HE ARG 115 3.113 -13.843 10.204 649 HH11 ARG 115 1HH1 ARG 115 6.366 -13.771 11.658 650 HH12 ARG 115 2HH1 ARG 115 5.991 -12.218 12.393 651 HH21 ARG 115 1HH2 ARG 115 2.797 -12.072 11.226 652 HH22 ARG 115 2HH2 ARG 115 3.996 -11.368 12.297 653 H GLU 116 H GLU 116 8.462 -16.173 6.124 654 HA GLU 116 HA GLU 116 10.670 -17.455 7.580 655 HB2 GLU 116 2HB GLU 116 8.960 -18.717 6.315 656 HB3 GLU 116 3HB GLU 116 9.563 -17.997 4.812 657 HG2 GLU 116 2HG GLU 116 11.745 -19.048 5.133 658 HG3 GLU 116 3HG GLU 116 11.285 -19.592 6.751 659 H ASN 117 H ASN 117 10.394 -15.687 4.443 660 HA ASN 117 HA ASN 117 13.328 -15.173 4.559 661 HB2 ASN 117 2HB ASN 117 12.643 -17.446 3.514 662 HB3 ASN 117 3HB ASN 117 12.078 -16.497 2.143 663 HD21 ASN 117 1HD2 ASN 117 13.912 -18.384 1.713 664 HD22 ASN 117 2HD2 ASN 117 15.524 -17.647 1.482 665 H SER 118 H SER 118 10.345 -13.900 3.826 666 HA SER 118 HA SER 118 9.401 -12.325 2.601 667 HB2 SER 118 2HB SER 118 12.121 -11.173 2.875 668 HB3 SER 118 3HB SER 118 11.033 -10.451 1.679 669 HG SER 118 HG SER 118 10.837 -9.572 3.786 Start of MODEL 15 1 HA PRO 31 HA PRO 31 0.236 12.886 8.018 2 HB2 PRO 31 2HB PRO 31 0.951 10.527 9.794 3 HB3 PRO 31 3HB PRO 31 1.991 11.887 9.268 4 HG2 PRO 31 2HG PRO 31 0.926 11.939 11.743 5 HG3 PRO 31 3HG PRO 31 0.839 13.416 10.724 6 HD2 PRO 31 2HD PRO 31 -1.288 11.334 11.194 7 HD3 PRO 31 3HD PRO 31 -1.443 13.118 11.251 8 H VAL 32 H VAL 32 0.659 11.836 6.112 9 HA VAL 32 HA VAL 32 -1.461 10.382 5.034 10 HB VAL 32 HB VAL 32 -0.032 11.862 3.760 11 HG11 VAL 32 1HG1 VAL 32 2.197 11.318 4.668 12 HG12 VAL 32 2HG1 VAL 32 2.143 9.733 3.869 13 HG13 VAL 32 3HG1 VAL 32 2.163 11.221 2.905 14 HG21 VAL 32 1HG2 VAL 32 0.093 9.073 2.565 15 HG22 VAL 32 2HG2 VAL 32 -1.341 10.127 2.572 16 HG23 VAL 32 3HG2 VAL 32 0.117 10.625 1.697 17 H GLU 33 H GLU 33 1.498 9.081 6.362 18 HA GLU 33 HA GLU 33 1.158 6.447 5.161 19 HB2 GLU 33 2HB GLU 33 3.358 6.154 5.682 20 HB3 GLU 33 3HB GLU 33 3.314 7.902 5.724 21 HG2 GLU 33 2HG GLU 33 2.791 7.323 8.333 22 HG3 GLU 33 3HG GLU 33 3.731 5.902 7.798 23 H ALA 34 H ALA 34 0.508 7.976 8.248 24 HA ALA 34 HA ALA 34 -0.411 5.555 9.625 25 HB1 ALA 34 1HB ALA 34 -1.029 7.120 11.354 26 HB2 ALA 34 2HB ALA 34 0.594 7.506 10.782 27 HB3 ALA 34 3HB ALA 34 -0.785 8.505 10.271 28 H ALA 35 H ALA 35 -1.860 8.222 7.779 29 HA ALA 35 HA ALA 35 -4.606 7.529 8.103 30 HB1 ALA 35 1HB ALA 35 -4.944 8.952 6.134 31 HB2 ALA 35 2HB ALA 35 -3.819 9.715 7.270 32 HB3 ALA 35 3HB ALA 35 -3.204 8.940 5.796 33 H ILE 36 H ILE 36 -2.291 6.669 5.445 34 HA ILE 36 HA ILE 36 -4.116 4.827 4.216 35 HB ILE 36 HB ILE 36 -1.977 6.027 3.302 36 HG12 ILE 36 2HG1 ILE 36 -3.186 3.415 2.428 37 HG13 ILE 36 3HG1 ILE 36 -3.467 5.041 1.842 38 HG21 ILE 36 1HG2 ILE 36 -0.002 4.725 3.101 39 HG22 ILE 36 2HG2 ILE 36 -0.392 4.859 4.796 40 HG23 ILE 36 3HG2 ILE 36 -0.728 3.336 3.942 41 HD11 ILE 36 1HD1 ILE 36 -0.979 3.342 1.377 42 HD12 ILE 36 2HD1 ILE 36 -2.183 3.853 0.188 43 HD13 ILE 36 3HD1 ILE 36 -1.114 5.064 0.918 44 H ARG 37 H ARG 37 -1.385 4.071 6.517 45 HA ARG 37 HA ARG 37 -1.868 1.366 6.925 46 HB2 ARG 37 2HB ARG 37 -0.146 2.402 8.128 47 HB3 ARG 37 3HB ARG 37 -1.192 3.624 8.823 48 HG2 ARG 37 2HG ARG 37 -1.802 0.781 9.584 49 HG3 ARG 37 3HG ARG 37 -0.296 1.482 10.160 50 HD2 ARG 37 2HD ARG 37 -1.262 3.058 11.495 51 HD3 ARG 37 3HD ARG 37 -2.720 3.165 10.535 52 HE ARG 37 HE ARG 37 -3.428 0.946 11.460 53 HH11 ARG 37 1HH1 ARG 37 -1.119 2.750 13.544 54 HH12 ARG 37 2HH1 ARG 37 -2.030 2.177 14.936 55 HH21 ARG 37 1HH2 ARG 37 -4.249 0.290 13.250 56 HH22 ARG 37 2HH2 ARG 37 -3.565 0.811 14.812 57 H THR 38 H THR 38 -3.722 3.885 8.649 58 HA THR 38 HA THR 38 -5.560 2.084 9.853 59 HB THR 38 HB THR 38 -6.006 5.002 9.133 60 HG1 THR 38 1HG THR 38 -4.274 4.960 10.373 61 HG21 THR 38 1HG2 THR 38 -8.116 3.919 9.894 62 HG22 THR 38 2HG2 THR 38 -7.495 5.067 11.083 63 HG23 THR 38 3HG2 THR 38 -7.272 3.329 11.344 64 H LYS 39 H LYS 39 -5.976 3.989 6.869 65 HA LYS 39 HA LYS 39 -8.633 3.301 6.152 66 HB2 LYS 39 2HB LYS 39 -7.120 5.126 5.225 67 HB3 LYS 39 3HB LYS 39 -6.185 3.883 4.394 68 HG2 LYS 39 2HG LYS 39 -7.592 4.980 2.857 69 HG3 LYS 39 3HG LYS 39 -8.201 3.329 3.030 70 HD2 LYS 39 2HD LYS 39 -10.080 4.153 4.396 71 HD3 LYS 39 3HD LYS 39 -9.377 5.796 4.415 72 HE2 LYS 39 2HE LYS 39 -9.474 5.829 1.916 73 HE3 LYS 39 3HE LYS 39 -10.287 4.255 1.943 74 HZ1 LYS 39 1HZ LYS 39 -11.786 6.144 1.727 75 HZ2 LYS 39 2HZ LYS 39 -11.358 6.730 3.199 76 HZ3 LYS 39 3HZ LYS 39 -12.142 5.291 3.095 77 H LEU 40 H LEU 40 -5.561 1.867 5.019 78 HA LEU 40 HA LEU 40 -6.874 -0.190 3.618 79 HB2 LEU 40 2HB LEU 40 -5.187 0.113 2.354 80 HB3 LEU 40 3HB LEU 40 -4.790 1.468 3.261 81 HG LEU 40 HG LEU 40 -3.307 -0.207 4.704 82 HD11 LEU 40 1HD1 LEU 40 -4.043 -2.236 3.425 83 HD12 LEU 40 2HD1 LEU 40 -2.329 -1.927 3.086 84 HD13 LEU 40 3HD1 LEU 40 -3.585 -1.455 1.905 85 HD21 LEU 40 1HD2 LEU 40 -2.438 1.690 3.514 86 HD22 LEU 40 2HD2 LEU 40 -2.582 0.873 1.954 87 HD23 LEU 40 3HD2 LEU 40 -1.410 0.292 3.172 88 H GLU 41 H GLU 41 -5.378 -0.126 6.827 89 HA GLU 41 HA GLU 41 -5.737 -2.912 7.482 90 HB2 GLU 41 2HB GLU 41 -6.061 -0.316 8.967 91 HB3 GLU 41 3HB GLU 41 -6.864 -1.732 9.590 92 HG2 GLU 41 2HG GLU 41 -4.604 -2.894 9.634 93 HG3 GLU 41 3HG GLU 41 -3.883 -1.303 9.333 94 H GLU 42 H GLU 42 -8.135 -0.185 7.505 95 HA GLU 42 HA GLU 42 -10.386 -1.895 7.919 96 HB2 GLU 42 2HB GLU 42 -10.543 0.212 8.765 97 HB3 GLU 42 3HB GLU 42 -9.737 0.979 7.407 98 HG2 GLU 42 2HG GLU 42 -11.608 0.901 6.046 99 HG3 GLU 42 3HG GLU 42 -12.564 -0.046 7.223 100 H ALA 43 H ALA 43 -8.717 -0.978 4.960 101 HA ALA 43 HA ALA 43 -10.710 -2.022 3.184 102 HB1 ALA 43 1HB ALA 43 -7.734 -1.895 2.647 103 HB2 ALA 43 2HB ALA 43 -9.062 -1.892 1.484 104 HB3 ALA 43 3HB ALA 43 -8.837 -0.488 2.534 105 H LEU 44 H LEU 44 -7.698 -3.732 4.481 106 HA LEU 44 HA LEU 44 -8.876 -6.206 3.292 107 HB2 LEU 44 2HB LEU 44 -6.953 -6.832 2.241 108 HB3 LEU 44 3HB LEU 44 -7.468 -5.255 1.721 109 HG LEU 44 HG LEU 44 -5.625 -4.683 3.802 110 HD11 LEU 44 1HD1 LEU 44 -3.610 -5.975 3.243 111 HD12 LEU 44 2HD1 LEU 44 -4.554 -6.991 2.126 112 HD13 LEU 44 3HD1 LEU 44 -4.881 -7.046 3.861 113 HD21 LEU 44 1HD2 LEU 44 -5.357 -4.929 0.800 114 HD22 LEU 44 2HD2 LEU 44 -4.217 -4.019 1.840 115 HD23 LEU 44 3HD2 LEU 44 -5.942 -3.542 1.740 116 H SER 45 H SER 45 -7.524 -4.986 6.167 117 HA SER 45 HA SER 45 -6.395 -5.871 7.958 118 HB2 SER 45 2HB SER 45 -7.409 -8.604 7.231 119 HB3 SER 45 3HB SER 45 -7.006 -7.907 8.808 120 HG SER 45 HG SER 45 -9.276 -8.129 8.248 121 HA PRO 46 HA PRO 46 -2.563 -7.286 5.808 122 HB2 PRO 46 2HB PRO 46 -1.472 -5.257 7.692 123 HB3 PRO 46 3HB PRO 46 -1.035 -5.540 6.007 124 HG2 PRO 46 2HG PRO 46 -2.534 -3.410 6.834 125 HG3 PRO 46 3HG PRO 46 -2.871 -4.217 5.256 126 HD2 PRO 46 2HD PRO 46 -4.308 -4.526 7.894 127 HD3 PRO 46 3HD PRO 46 -4.977 -4.463 6.226 128 H GLU 47 H GLU 47 -1.079 -8.746 6.749 129 HA GLU 47 HA GLU 47 -0.933 -9.136 9.676 130 HB2 GLU 47 2HB GLU 47 -0.376 -10.818 7.569 131 HB3 GLU 47 3HB GLU 47 1.147 -10.000 7.733 132 HG2 GLU 47 2HG GLU 47 1.678 -11.496 9.163 133 HG3 GLU 47 3HG GLU 47 0.784 -10.575 10.343 134 H VAL 48 H VAL 48 0.669 -7.487 6.929 135 HA VAL 48 HA VAL 48 2.574 -6.177 8.772 136 HB VAL 48 HB VAL 48 3.959 -7.169 6.383 137 HG11 VAL 48 1HG1 VAL 48 5.544 -7.766 7.939 138 HG12 VAL 48 2HG1 VAL 48 4.938 -6.121 8.292 139 HG13 VAL 48 3HG1 VAL 48 4.374 -7.554 9.290 140 HG21 VAL 48 1HG2 VAL 48 4.510 -9.409 7.234 141 HG22 VAL 48 2HG2 VAL 48 3.289 -9.289 8.513 142 HG23 VAL 48 3HG2 VAL 48 2.819 -9.411 6.814 143 H LEU 49 H LEU 49 3.220 -4.233 8.261 144 HA LEU 49 HA LEU 49 2.963 -3.044 5.536 145 HB2 LEU 49 2HB LEU 49 2.251 -1.928 8.283 146 HB3 LEU 49 3HB LEU 49 2.531 -0.886 6.915 147 HG LEU 49 HG LEU 49 0.413 -3.032 6.674 148 HD11 LEU 49 1HD1 LEU 49 0.089 -0.316 8.021 149 HD12 LEU 49 2HD1 LEU 49 -0.090 -1.898 8.797 150 HD13 LEU 49 3HD1 LEU 49 -1.245 -1.397 7.551 151 HD21 LEU 49 1HD2 LEU 49 1.149 -1.547 4.733 152 HD22 LEU 49 2HD2 LEU 49 0.508 -0.150 5.635 153 HD23 LEU 49 3HD2 LEU 49 -0.581 -1.458 5.134 154 H GLU 50 H GLU 50 4.984 -2.351 4.845 155 HA GLU 50 HA GLU 50 6.392 -0.640 6.758 156 HB2 GLU 50 2HB GLU 50 7.884 -2.575 5.004 157 HB3 GLU 50 3HB GLU 50 8.554 -1.182 5.797 158 HG2 GLU 50 2HG GLU 50 7.655 -2.221 8.001 159 HG3 GLU 50 3HG GLU 50 7.603 -3.738 7.103 160 H LEU 51 H LEU 51 6.631 1.256 5.881 161 HA LEU 51 HA LEU 51 6.387 1.652 2.954 162 HB2 LEU 51 2HB LEU 51 4.226 2.482 2.931 163 HB3 LEU 51 3HB LEU 51 4.113 1.060 3.961 164 HG LEU 51 HG LEU 51 4.248 3.916 4.801 165 HD11 LEU 51 1HD1 LEU 51 1.973 1.993 5.403 166 HD12 LEU 51 2HD1 LEU 51 1.979 3.070 4.003 167 HD13 LEU 51 3HD1 LEU 51 2.006 3.763 5.624 168 HD21 LEU 51 1HD2 LEU 51 5.344 2.736 6.596 169 HD22 LEU 51 2HD2 LEU 51 4.104 1.460 6.577 170 HD23 LEU 51 3HD2 LEU 51 3.722 3.100 7.162 171 H ARG 52 H ARG 52 6.245 4.009 2.278 172 HA ARG 52 HA ARG 52 7.218 6.044 4.074 173 HB2 ARG 52 2HB ARG 52 9.295 4.627 3.709 174 HB3 ARG 52 3HB ARG 52 9.168 4.958 1.980 175 HG2 ARG 52 2HG ARG 52 9.493 7.357 2.398 176 HG3 ARG 52 3HG ARG 52 9.459 7.095 4.152 177 HD2 ARG 52 2HD ARG 52 11.485 5.804 4.069 178 HD3 ARG 52 3HD ARG 52 11.471 5.769 2.295 179 HE ARG 52 HE ARG 52 11.541 8.453 2.764 180 HH11 ARG 52 1HH1 ARG 52 13.660 5.920 3.978 181 HH12 ARG 52 2HH1 ARG 52 14.873 7.100 4.451 182 HH21 ARG 52 1HH2 ARG 52 13.129 9.753 3.103 183 HH22 ARG 52 2HH2 ARG 52 14.661 9.244 3.796 184 H ASN 53 H ASN 53 6.962 8.063 3.135 185 HA ASN 53 HA ASN 53 5.585 8.089 0.590 186 HB2 ASN 53 2HB ASN 53 4.879 10.178 1.026 187 HB3 ASN 53 3HB ASN 53 5.022 9.430 2.618 188 HD21 ASN 53 1HD2 ASN 53 4.794 11.997 2.973 189 HD22 ASN 53 2HD2 ASN 53 6.245 12.939 2.684 190 H GLU 54 H GLU 54 6.112 9.174 -1.311 191 HA GLU 54 HA GLU 54 9.046 9.104 -1.943 192 HB2 GLU 54 2HB GLU 54 7.810 7.349 -3.007 193 HB3 GLU 54 3HB GLU 54 6.571 8.466 -3.592 194 HG2 GLU 54 2HG GLU 54 7.990 9.405 -5.220 195 HG3 GLU 54 3HG GLU 54 9.457 8.832 -4.418 196 H SER 55 H SER 55 6.159 11.037 -2.052 197 HA SER 55 HA SER 55 6.539 12.963 -3.849 198 HB2 SER 55 2HB SER 55 4.689 12.462 -2.482 199 HB3 SER 55 3HB SER 55 5.422 13.261 -1.061 200 HG SER 55 HG SER 55 5.527 15.171 -2.518 201 H GLY 56 H GLY 56 8.833 12.819 -1.238 202 HA2 GLY 56 2HA GLY 56 9.649 15.606 -1.311 203 HA3 GLY 56 3HA GLY 56 10.632 14.212 -0.832 204 H GLY 57 H GLY 57 9.859 13.039 -3.662 205 HA2 GLY 57 2HA GLY 57 12.027 14.076 -5.258 206 HA3 GLY 57 3HA GLY 57 10.790 12.927 -5.747 207 H HIS 58 H HIS 58 9.059 15.602 -4.677 208 HA HIS 58 HA HIS 58 8.952 16.803 -7.408 209 HB2 HIS 58 2HB HIS 58 6.590 15.924 -5.697 210 HB3 HIS 58 3HB HIS 58 6.487 16.732 -7.254 211 HD1 HIS 58 1HD HIS 58 7.349 15.252 -9.465 212 HD2 HIS 58 2HD HIS 58 7.257 13.305 -5.742 213 HE1 HIS 58 1HE HIS 58 7.763 12.794 -9.934 214 H ALA 59 H ALA 59 8.179 18.895 -7.614 215 HA ALA 59 HA ALA 59 8.926 20.688 -5.466 216 HB1 ALA 59 1HB ALA 59 8.729 22.400 -7.205 217 HB2 ALA 59 2HB ALA 59 9.622 20.998 -7.811 218 HB3 ALA 59 3HB ALA 59 7.926 21.241 -8.287 219 H VAL 60 H VAL 60 6.792 19.337 -4.536 220 HA VAL 60 HA VAL 60 4.229 20.585 -4.999 221 HB VAL 60 HB VAL 60 3.455 19.023 -3.234 222 HG11 VAL 60 1HG1 VAL 60 3.915 16.961 -4.451 223 HG12 VAL 60 2HG1 VAL 60 3.543 18.300 -5.544 224 HG13 VAL 60 3HG1 VAL 60 5.219 17.763 -5.342 225 HG21 VAL 60 1HG2 VAL 60 6.308 17.995 -3.063 226 HG22 VAL 60 2HG2 VAL 60 5.516 18.978 -1.805 227 HG23 VAL 60 3HG2 VAL 60 4.877 17.386 -2.228 228 HA PRO 61 HA PRO 61 4.321 23.817 -1.984 229 HB2 PRO 61 2HB PRO 61 1.706 24.074 -1.178 230 HB3 PRO 61 3HB PRO 61 2.300 24.530 -2.806 231 HG2 PRO 61 2HG PRO 61 0.961 21.954 -1.948 232 HG3 PRO 61 3HG PRO 61 0.578 22.983 -3.362 233 HD2 PRO 61 2HD PRO 61 2.136 20.768 -3.590 234 HD3 PRO 61 3HD PRO 61 2.485 22.240 -4.539 235 HA PRO 62 HA PRO 62 5.216 22.226 1.877 236 HB2 PRO 62 2HB PRO 62 4.688 24.189 3.734 237 HB3 PRO 62 3HB PRO 62 5.982 24.278 2.509 238 HG2 PRO 62 2HG PRO 62 3.177 25.445 2.333 239 HG3 PRO 62 3HG PRO 62 4.731 26.277 2.022 240 HD2 PRO 62 2HD PRO 62 3.288 25.277 -0.014 241 HD3 PRO 62 3HD PRO 62 5.066 25.080 -0.011 242 H GLY 63 H GLY 63 4.247 20.540 2.667 243 HA2 GLY 63 2HA GLY 63 2.884 19.535 4.416 244 HA3 GLY 63 3HA GLY 63 1.620 20.724 4.096 245 H SER 64 H SER 64 2.565 20.029 1.029 246 HA SER 64 HA SER 64 0.493 18.000 0.618 247 HB2 SER 64 2HB SER 64 0.696 20.046 -0.775 248 HB3 SER 64 3HB SER 64 2.231 19.429 -1.411 249 HG SER 64 HG SER 64 -0.050 18.979 -2.420 250 H GLU 65 H GLU 65 0.811 16.076 -0.184 251 HA GLU 65 HA GLU 65 3.474 14.698 -0.220 252 HB2 GLU 65 2HB GLU 65 1.222 14.083 1.735 253 HB3 GLU 65 3HB GLU 65 2.644 13.069 1.439 254 HG2 GLU 65 2HG GLU 65 4.126 14.917 2.168 255 HG3 GLU 65 3HG GLU 65 2.710 15.913 2.533 256 H THR 66 H THR 66 2.520 14.812 -2.562 257 HA THR 66 HA THR 66 -0.016 13.640 -3.184 258 HB THR 66 HB THR 66 0.669 13.891 -5.533 259 HG1 THR 66 1HG THR 66 2.775 14.660 -5.961 260 HG21 THR 66 1HG2 THR 66 1.621 16.281 -3.885 261 HG22 THR 66 2HG2 THR 66 -0.061 15.952 -4.358 262 HG23 THR 66 3HG2 THR 66 1.169 16.283 -5.596 263 H HIS 67 H HIS 67 2.990 12.223 -2.690 264 HA HIS 67 HA HIS 67 2.591 9.967 -4.587 265 HB2 HIS 67 2HB HIS 67 4.327 12.268 -4.559 266 HB3 HIS 67 3HB HIS 67 5.293 10.862 -4.381 267 HD1 HIS 67 1HD HIS 67 6.078 10.387 -6.989 268 HD2 HIS 67 2HD HIS 67 2.135 11.684 -6.457 269 HE1 HIS 67 1HE HIS 67 5.136 10.698 -9.309 270 H PHE 68 H PHE 68 3.028 7.920 -3.792 271 HA PHE 68 HA PHE 68 4.604 7.682 -1.265 272 HB2 PHE 68 2HB PHE 68 2.135 8.268 -1.017 273 HB3 PHE 68 3HB PHE 68 1.765 6.681 -1.640 274 HD1 PHE 68 1HD PHE 68 2.103 4.713 -0.323 275 HD2 PHE 68 2HD PHE 68 3.098 8.604 1.218 276 HE1 PHE 68 1HE PHE 68 2.220 3.780 1.978 277 HE2 PHE 68 2HE PHE 68 3.268 7.627 3.546 278 HZ PHE 68 HZ PHE 68 2.752 5.275 3.884 279 H ARG 69 H ARG 69 5.139 5.565 -0.456 280 HA ARG 69 HA ARG 69 5.105 3.342 -2.442 281 HB2 ARG 69 2HB ARG 69 7.360 4.908 -1.897 282 HB3 ARG 69 3HB ARG 69 7.532 3.603 -0.742 283 HG2 ARG 69 2HG ARG 69 8.699 2.873 -2.642 284 HG3 ARG 69 3HG ARG 69 7.170 1.990 -2.734 285 HD2 ARG 69 2HD ARG 69 6.320 3.670 -4.374 286 HD3 ARG 69 3HD ARG 69 7.847 4.570 -4.232 287 HE ARG 69 HE ARG 69 8.217 1.767 -4.960 288 HH11 ARG 69 1HH1 ARG 69 7.889 5.028 -6.392 289 HH12 ARG 69 2HH1 ARG 69 8.442 4.383 -7.928 290 HH21 ARG 69 1HH2 ARG 69 8.669 1.144 -7.059 291 HH22 ARG 69 2HH2 ARG 69 8.826 2.412 -8.275 292 H VAL 70 H VAL 70 4.625 1.392 -1.614 293 HA VAL 70 HA VAL 70 4.556 0.997 1.349 294 HB VAL 70 HB VAL 70 2.436 -0.429 -0.146 295 HG11 VAL 70 1HG1 VAL 70 1.123 0.175 1.805 296 HG12 VAL 70 2HG1 VAL 70 2.724 -0.369 2.354 297 HG13 VAL 70 3HG1 VAL 70 2.322 1.363 2.307 298 HG21 VAL 70 1HG2 VAL 70 0.837 1.410 -0.264 299 HG22 VAL 70 2HG2 VAL 70 2.134 2.563 0.099 300 HG23 VAL 70 3HG2 VAL 70 2.165 1.630 -1.410 301 H ALA 71 H ALA 71 5.221 -0.900 2.097 302 HA ALA 71 HA ALA 71 5.101 -3.285 0.275 303 HB1 ALA 71 1HB ALA 71 7.378 -2.931 1.282 304 HB2 ALA 71 2HB ALA 71 6.648 -3.124 2.895 305 HB3 ALA 71 3HB ALA 71 6.596 -4.459 1.743 306 H VAL 72 H VAL 72 3.442 -4.614 0.651 307 HA VAL 72 HA VAL 72 1.904 -4.372 3.207 308 HB VAL 72 HB VAL 72 -0.212 -4.539 1.979 309 HG11 VAL 72 1HG1 VAL 72 1.394 -2.133 1.095 310 HG12 VAL 72 2HG1 VAL 72 -0.368 -2.224 1.288 311 HG13 VAL 72 3HG1 VAL 72 0.683 -2.345 2.709 312 HG21 VAL 72 1HG2 VAL 72 1.424 -4.057 -0.554 313 HG22 VAL 72 2HG2 VAL 72 0.395 -5.460 -0.190 314 HG23 VAL 72 3HG2 VAL 72 -0.339 -3.882 -0.428 315 H VAL 73 H VAL 73 1.606 -6.309 4.168 316 HA VAL 73 HA VAL 73 1.721 -8.728 2.411 317 HB VAL 73 HB VAL 73 2.731 -8.270 5.133 318 HG11 VAL 73 1HG1 VAL 73 3.550 -10.517 3.286 319 HG12 VAL 73 2HG1 VAL 73 3.989 -10.301 4.984 320 HG13 VAL 73 3HG1 VAL 73 2.319 -10.685 4.571 321 HG21 VAL 73 1HG2 VAL 73 5.061 -8.346 4.162 322 HG22 VAL 73 2HG2 VAL 73 4.301 -8.100 2.575 323 HG23 VAL 73 3HG2 VAL 73 4.148 -6.880 3.850 324 H SER 74 H SER 74 0.071 -10.179 2.619 325 HA SER 74 HA SER 74 -1.452 -10.378 5.157 326 HB2 SER 74 2HB SER 74 -2.489 -8.398 4.100 327 HB3 SER 74 3HB SER 74 -2.806 -9.348 2.636 328 HG SER 74 HG SER 74 -4.211 -9.327 5.020 329 H SER 75 H SER 75 -2.784 -12.159 5.352 330 HA SER 75 HA SER 75 -2.329 -14.500 3.740 331 HB2 SER 75 2HB SER 75 -4.695 -13.960 5.563 332 HB3 SER 75 3HB SER 75 -4.064 -15.538 5.056 333 HG SER 75 HG SER 75 -3.301 -15.119 7.109 334 H ARG 76 H ARG 76 -4.472 -11.793 3.355 335 HA ARG 76 HA ARG 76 -6.478 -12.985 1.697 336 HB2 ARG 76 2HB ARG 76 -6.207 -10.638 2.911 337 HB3 ARG 76 3HB ARG 76 -5.701 -10.137 1.291 338 HG2 ARG 76 2HG ARG 76 -7.834 -11.057 0.359 339 HG3 ARG 76 3HG ARG 76 -8.277 -11.651 1.982 340 HD2 ARG 76 2HD ARG 76 -7.917 -9.305 2.804 341 HD3 ARG 76 3HD ARG 76 -7.859 -8.780 1.119 342 HE ARG 76 HE ARG 76 -10.204 -9.573 0.871 343 HH11 ARG 76 1HH1 ARG 76 -9.122 -8.888 4.175 344 HH12 ARG 76 2HH1 ARG 76 -10.760 -8.546 4.697 345 HH21 ARG 76 1HH2 ARG 76 -12.261 -9.333 1.736 346 HH22 ARG 76 2HH2 ARG 76 -12.450 -8.881 3.404 347 H PHE 77 H PHE 77 -3.151 -12.340 0.974 348 HA PHE 77 HA PHE 77 -3.633 -12.117 -1.925 349 HB2 PHE 77 2HB PHE 77 -1.197 -11.656 -0.227 350 HB3 PHE 77 3HB PHE 77 -1.333 -11.306 -1.923 351 HD1 PHE 77 1HD PHE 77 -0.499 -9.413 0.337 352 HD2 PHE 77 2HD PHE 77 -4.263 -10.015 -1.691 353 HE1 PHE 77 1HE PHE 77 -1.129 -7.063 0.800 354 HE2 PHE 77 2HE PHE 77 -4.881 -7.682 -1.231 355 HZ PHE 77 HZ PHE 77 -3.316 -6.182 -0.006 356 H GLU 78 H GLU 78 -2.987 -14.698 0.230 357 HA GLU 78 HA GLU 78 -1.251 -16.047 -1.677 358 HB2 GLU 78 2HB GLU 78 -1.400 -17.944 -0.105 359 HB3 GLU 78 3HB GLU 78 -0.622 -16.534 0.573 360 HG2 GLU 78 2HG GLU 78 -2.352 -16.134 2.075 361 HG3 GLU 78 3HG GLU 78 -3.553 -17.005 1.120 362 H GLY 79 H GLY 79 -1.715 -17.790 -2.907 363 HA2 GLY 79 2HA GLY 79 -3.064 -19.435 -3.933 364 HA3 GLY 79 3HA GLY 79 -4.516 -18.764 -3.180 365 H LEU 80 H LEU 80 -2.271 -16.562 -4.614 366 HA LEU 80 HA LEU 80 -3.966 -16.074 -7.037 367 HB2 LEU 80 2HB LEU 80 -2.787 -14.094 -5.073 368 HB3 LEU 80 3HB LEU 80 -3.371 -13.657 -6.672 369 HG LEU 80 HG LEU 80 -5.472 -14.900 -5.709 370 HD11 LEU 80 1HD1 LEU 80 -5.952 -14.395 -3.368 371 HD12 LEU 80 2HD1 LEU 80 -4.333 -13.705 -3.180 372 HD13 LEU 80 3HD1 LEU 80 -4.534 -15.431 -3.502 373 HD21 LEU 80 1HD2 LEU 80 -5.369 -12.488 -6.449 374 HD22 LEU 80 2HD2 LEU 80 -4.754 -12.081 -4.821 375 HD23 LEU 80 3HD2 LEU 80 -6.401 -12.705 -5.026 376 H SER 81 H SER 81 -2.811 -15.179 -8.817 377 HA SER 81 HA SER 81 0.058 -15.750 -9.005 378 HB2 SER 81 2HB SER 81 -1.768 -16.031 -10.855 379 HB3 SER 81 3HB SER 81 -1.596 -14.286 -11.078 380 HG SER 81 HG SER 81 0.480 -16.240 -11.184 381 HA PRO 82 HA PRO 82 1.627 -11.850 -7.742 382 HB2 PRO 82 2HB PRO 82 3.165 -11.674 -10.350 383 HB3 PRO 82 3HB PRO 82 3.747 -11.382 -8.684 384 HG2 PRO 82 2HG PRO 82 4.263 -13.743 -9.852 385 HG3 PRO 82 3HG PRO 82 3.647 -13.722 -8.162 386 HD2 PRO 82 2HD PRO 82 2.127 -14.199 -10.724 387 HD3 PRO 82 3HD PRO 82 2.075 -15.128 -9.194 388 H LEU 83 H LEU 83 0.992 -11.512 -11.307 389 HA LEU 83 HA LEU 83 0.190 -8.757 -10.995 390 HB2 LEU 83 2HB LEU 83 1.105 -9.601 -13.108 391 HB3 LEU 83 3HB LEU 83 -0.286 -10.676 -13.301 392 HG LEU 83 HG LEU 83 -1.805 -8.751 -13.509 393 HD11 LEU 83 1HD1 LEU 83 -0.889 -6.455 -13.767 394 HD12 LEU 83 2HD1 LEU 83 0.710 -7.040 -13.275 395 HD13 LEU 83 3HD1 LEU 83 -0.651 -7.047 -12.129 396 HD21 LEU 83 1HD2 LEU 83 -0.664 -9.665 -15.513 397 HD22 LEU 83 2HD2 LEU 83 0.625 -8.459 -15.297 398 HD23 LEU 83 3HD2 LEU 83 -1.031 -7.939 -15.662 399 H GLN 84 H GLN 84 -1.588 -11.832 -10.811 400 HA GLN 84 HA GLN 84 -4.238 -10.791 -10.983 401 HB2 GLN 84 2HB GLN 84 -3.591 -13.205 -10.983 402 HB3 GLN 84 3HB GLN 84 -3.211 -13.070 -9.268 403 HG2 GLN 84 2HG GLN 84 -5.632 -12.376 -8.893 404 HG3 GLN 84 3HG GLN 84 -5.939 -12.907 -10.549 405 HE21 GLN 84 1HE2 GLN 84 -7.106 -14.064 -8.183 406 HE22 GLN 84 2HE2 GLN 84 -6.520 -15.724 -8.052 407 H ARG 85 H ARG 85 -2.124 -11.182 -8.047 408 HA ARG 85 HA ARG 85 -4.055 -9.770 -6.371 409 HB2 ARG 85 2HB ARG 85 -2.353 -9.794 -4.618 410 HB3 ARG 85 3HB ARG 85 -2.649 -11.383 -5.321 411 HG2 ARG 85 2HG ARG 85 -0.590 -11.263 -6.605 412 HG3 ARG 85 3HG ARG 85 -0.242 -9.644 -6.022 413 HD2 ARG 85 2HD ARG 85 0.254 -10.415 -3.843 414 HD3 ARG 85 3HD ARG 85 -0.760 -11.852 -4.019 415 HE ARG 85 HE ARG 85 1.942 -11.484 -5.260 416 HH11 ARG 85 1HH1 ARG 85 -0.426 -13.777 -3.906 417 HH12 ARG 85 2HH1 ARG 85 0.427 -15.127 -4.572 418 HH21 ARG 85 1HH2 ARG 85 3.037 -13.283 -5.824 419 HH22 ARG 85 2HH2 ARG 85 2.353 -14.867 -5.585 420 H HIS 86 H HIS 86 -1.058 -8.618 -8.016 421 HA HIS 86 HA HIS 86 -1.267 -5.964 -6.907 422 HB2 HIS 86 2HB HIS 86 0.183 -7.296 -9.143 423 HB3 HIS 86 3HB HIS 86 0.023 -5.535 -9.231 424 HD1 HIS 86 1HD HIS 86 2.350 -4.643 -8.457 425 HD2 HIS 86 2HD HIS 86 0.919 -7.878 -6.197 426 HE1 HIS 86 1HE HIS 86 4.005 -4.979 -6.572 427 H ARG 87 H ARG 87 -2.570 -7.248 -10.033 428 HA ARG 87 HA ARG 87 -3.949 -4.863 -10.799 429 HB2 ARG 87 2HB ARG 87 -3.379 -6.783 -12.292 430 HB3 ARG 87 3HB ARG 87 -4.612 -7.758 -11.473 431 HG2 ARG 87 2HG ARG 87 -6.362 -6.154 -12.234 432 HG3 ARG 87 3HG ARG 87 -5.113 -5.193 -13.052 433 HD2 ARG 87 2HD ARG 87 -4.552 -7.152 -14.477 434 HD3 ARG 87 3HD ARG 87 -5.754 -8.122 -13.629 435 HE ARG 87 HE ARG 87 -7.523 -6.926 -14.656 436 HH11 ARG 87 1HH1 ARG 87 -4.431 -5.605 -15.816 437 HH12 ARG 87 2HH1 ARG 87 -5.205 -4.873 -17.189 438 HH21 ARG 87 1HH2 ARG 87 -8.379 -5.929 -16.441 439 HH22 ARG 87 2HH2 ARG 87 -7.360 -5.015 -17.503 440 H LEU 88 H LEU 88 -5.054 -7.614 -8.707 441 HA LEU 88 HA LEU 88 -7.711 -6.738 -8.346 442 HB2 LEU 88 2HB LEU 88 -6.745 -8.884 -7.597 443 HB3 LEU 88 3HB LEU 88 -5.785 -8.065 -6.396 444 HG LEU 88 HG LEU 88 -7.752 -7.317 -5.220 445 HD11 LEU 88 1HD1 LEU 88 -10.004 -8.274 -5.754 446 HD12 LEU 88 2HD1 LEU 88 -9.349 -8.905 -7.279 447 HD13 LEU 88 3HD1 LEU 88 -9.445 -7.148 -6.989 448 HD21 LEU 88 1HD2 LEU 88 -7.776 -10.303 -5.827 449 HD22 LEU 88 2HD2 LEU 88 -8.478 -9.529 -4.389 450 HD23 LEU 88 3HD2 LEU 88 -6.729 -9.478 -4.644 451 H VAL 89 H VAL 89 -4.845 -6.024 -6.325 452 HA VAL 89 HA VAL 89 -6.107 -4.040 -4.700 453 HB VAL 89 HB VAL 89 -3.173 -4.245 -5.480 454 HG11 VAL 89 1HG1 VAL 89 -2.761 -2.911 -3.391 455 HG12 VAL 89 2HG1 VAL 89 -3.552 -1.970 -4.657 456 HG13 VAL 89 3HG1 VAL 89 -4.500 -2.586 -3.287 457 HG21 VAL 89 1HG2 VAL 89 -2.915 -5.279 -3.279 458 HG22 VAL 89 2HG2 VAL 89 -4.651 -5.075 -2.937 459 HG23 VAL 89 3HG2 VAL 89 -4.111 -6.192 -4.201 460 H HIS 90 H HIS 90 -4.614 -3.609 -7.863 461 HA HIS 90 HA HIS 90 -4.709 -0.696 -7.839 462 HB2 HIS 90 2HB HIS 90 -4.196 -2.687 -10.070 463 HB3 HIS 90 3HB HIS 90 -4.049 -0.943 -10.224 464 HD1 HIS 90 1HD HIS 90 -1.525 -1.790 -11.012 465 HD2 HIS 90 2HD HIS 90 -2.506 -1.917 -6.929 466 HE1 HIS 90 1HE HIS 90 0.684 -1.970 -9.756 467 H ALA 91 H ALA 91 -6.881 -3.224 -9.136 468 HA ALA 91 HA ALA 91 -8.619 -1.154 -10.310 469 HB1 ALA 91 1HB ALA 91 -8.175 -3.272 -11.533 470 HB2 ALA 91 2HB ALA 91 -8.903 -4.193 -10.199 471 HB3 ALA 91 3HB ALA 91 -9.897 -3.082 -11.168 472 H ALA 92 H ALA 92 -8.750 -3.413 -7.559 473 HA ALA 92 HA ALA 92 -11.426 -2.436 -6.837 474 HB1 ALA 92 1HB ALA 92 -9.697 -4.608 -5.572 475 HB2 ALA 92 2HB ALA 92 -11.399 -4.297 -5.255 476 HB3 ALA 92 3HB ALA 92 -10.902 -4.868 -6.854 477 H LEU 93 H LEU 93 -8.077 -2.052 -5.580 478 HA LEU 93 HA LEU 93 -9.276 -0.494 -3.297 479 HB2 LEU 93 2HB LEU 93 -7.094 -2.492 -3.433 480 HB3 LEU 93 3HB LEU 93 -6.679 -1.008 -2.554 481 HG LEU 93 HG LEU 93 -8.412 -1.297 -0.959 482 HD11 LEU 93 1HD1 LEU 93 -9.928 -3.268 -0.949 483 HD12 LEU 93 2HD1 LEU 93 -9.431 -3.640 -2.607 484 HD13 LEU 93 3HD1 LEU 93 -10.286 -2.128 -2.234 485 HD21 LEU 93 1HD2 LEU 93 -7.769 -3.438 0.040 486 HD22 LEU 93 2HD2 LEU 93 -6.350 -2.628 -0.665 487 HD23 LEU 93 3HD2 LEU 93 -7.115 -3.993 -1.506 488 H ALA 94 H ALA 94 -8.045 0.288 -6.255 489 HA ALA 94 HA ALA 94 -5.969 2.052 -5.529 490 HB1 ALA 94 1HB ALA 94 -7.885 2.008 -7.881 491 HB2 ALA 94 2HB ALA 94 -6.654 3.281 -7.708 492 HB3 ALA 94 3HB ALA 94 -6.140 1.603 -7.787 493 H GLU 95 H GLU 95 -9.433 2.643 -5.035 494 HA GLU 95 HA GLU 95 -8.948 5.520 -4.524 495 HB2 GLU 95 2HB GLU 95 -11.446 3.858 -4.076 496 HB3 GLU 95 3HB GLU 95 -11.309 5.617 -3.998 497 HG2 GLU 95 2HG GLU 95 -10.598 5.628 -6.405 498 HG3 GLU 95 3HG GLU 95 -10.926 3.896 -6.492 499 H GLU 96 H GLU 96 -8.855 2.490 -2.628 500 HA GLU 96 HA GLU 96 -9.321 3.754 -0.112 501 HB2 GLU 96 2HB GLU 96 -8.437 0.984 -1.056 502 HB3 GLU 96 3HB GLU 96 -8.985 1.465 0.510 503 HG2 GLU 96 2HG GLU 96 -11.157 2.292 -0.818 504 HG3 GLU 96 3HG GLU 96 -10.562 1.169 -2.033 505 H LEU 97 H LEU 97 -6.449 2.074 -1.732 506 HA LEU 97 HA LEU 97 -4.422 3.163 -0.131 507 HB2 LEU 97 2HB LEU 97 -5.002 1.703 -2.634 508 HB3 LEU 97 3HB LEU 97 -3.771 2.804 -2.889 509 HG LEU 97 HG LEU 97 -2.525 1.775 -0.860 510 HD11 LEU 97 1HD1 LEU 97 -3.315 -0.455 -0.141 511 HD12 LEU 97 2HD1 LEU 97 -4.768 -0.275 -1.149 512 HD13 LEU 97 3HD1 LEU 97 -4.525 0.798 0.236 513 HD21 LEU 97 1HD2 LEU 97 -1.930 1.111 -3.138 514 HD22 LEU 97 2HD2 LEU 97 -3.286 -0.024 -3.194 515 HD23 LEU 97 3HD2 LEU 97 -1.941 -0.312 -2.066 516 H GLY 98 H GLY 98 -5.867 4.395 -3.246 517 HA2 GLY 98 2HA GLY 98 -4.411 6.912 -3.148 518 HA3 GLY 98 3HA GLY 98 -5.669 6.418 -4.279 519 H GLY 99 H GLY 99 -6.124 6.319 -0.897 520 HA2 GLY 99 2HA GLY 99 -8.527 8.016 -0.941 521 HA3 GLY 99 3HA GLY 99 -7.809 7.252 0.481 522 HA PRO 100 HA PRO 100 -5.722 11.226 1.078 523 HB2 PRO 100 2HB PRO 100 -3.740 10.658 2.782 524 HB3 PRO 100 3HB PRO 100 -5.442 10.213 3.146 525 HG2 PRO 100 2HG PRO 100 -3.295 8.390 2.067 526 HG3 PRO 100 3HG PRO 100 -4.393 8.121 3.453 527 HD2 PRO 100 2HD PRO 100 -4.920 7.251 0.858 528 HD3 PRO 100 3HD PRO 100 -6.183 7.589 2.078 529 H VAL 101 H VAL 101 -4.533 9.200 -1.195 530 HA VAL 101 HA VAL 101 -2.024 10.722 -1.758 531 HB VAL 101 HB VAL 101 -2.295 7.745 -2.298 532 HG11 VAL 101 1HG1 VAL 101 -0.591 8.970 -3.533 533 HG12 VAL 101 2HG1 VAL 101 0.079 9.612 -2.010 534 HG13 VAL 101 3HG1 VAL 101 0.102 7.872 -2.370 535 HG21 VAL 101 1HG2 VAL 101 -0.818 7.401 -0.299 536 HG22 VAL 101 2HG2 VAL 101 -1.204 9.062 0.207 537 HG23 VAL 101 3HG2 VAL 101 -2.480 7.822 0.082 538 H HIS 102 H HIS 102 -1.538 11.195 -3.927 539 HA HIS 102 HA HIS 102 -3.707 10.833 -5.916 540 HB2 HIS 102 2HB HIS 102 -1.073 12.361 -5.982 541 HB3 HIS 102 3HB HIS 102 -2.142 12.210 -7.352 542 HD1 HIS 102 1HD HIS 102 -4.173 13.802 -7.466 543 HD2 HIS 102 2HD HIS 102 -2.124 13.792 -3.795 544 HE1 HIS 102 1HE HIS 102 -5.119 15.753 -6.099 545 H ALA 103 H ALA 103 -0.234 9.987 -5.577 546 HA ALA 103 HA ALA 103 -0.644 7.671 -7.407 547 HB1 ALA 103 1HB ALA 103 1.863 9.339 -7.404 548 HB2 ALA 103 2HB ALA 103 1.397 8.090 -8.552 549 HB3 ALA 103 3HB ALA 103 0.525 9.634 -8.562 550 H LEU 104 H LEU 104 0.418 5.858 -6.865 551 HA LEU 104 HA LEU 104 2.538 5.821 -5.003 552 HB2 LEU 104 2HB LEU 104 1.577 4.549 -3.288 553 HB3 LEU 104 3HB LEU 104 0.703 6.053 -3.433 554 HG LEU 104 HG LEU 104 -0.320 3.316 -4.286 555 HD11 LEU 104 1HD1 LEU 104 -1.755 3.624 -2.284 556 HD12 LEU 104 2HD1 LEU 104 -0.944 5.154 -1.923 557 HD13 LEU 104 3HD1 LEU 104 -0.044 3.619 -1.850 558 HD21 LEU 104 1HD2 LEU 104 -1.698 6.048 -4.209 559 HD22 LEU 104 2HD2 LEU 104 -2.548 4.494 -4.353 560 HD23 LEU 104 3HD2 LEU 104 -1.461 5.003 -5.636 561 H ALA 105 H ALA 105 3.508 3.797 -4.594 562 HA ALA 105 HA ALA 105 2.630 1.609 -6.425 563 HB1 ALA 105 1HB ALA 105 4.472 2.726 -7.522 564 HB2 ALA 105 2HB ALA 105 5.479 2.531 -6.078 565 HB3 ALA 105 3HB ALA 105 4.957 1.104 -6.994 566 H ILE 106 H ILE 106 2.701 -0.434 -5.748 567 HA ILE 106 HA ILE 106 3.342 -0.902 -2.882 568 HB ILE 106 HB ILE 106 1.672 -2.561 -2.822 569 HG12 ILE 106 2HG1 ILE 106 1.398 -2.280 -5.828 570 HG13 ILE 106 3HG1 ILE 106 1.907 -3.693 -4.916 571 HG21 ILE 106 1HG2 ILE 106 -0.313 -1.274 -3.133 572 HG22 ILE 106 2HG2 ILE 106 0.975 -0.193 -2.589 573 HG23 ILE 106 3HG2 ILE 106 0.474 -0.195 -4.295 574 HD11 ILE 106 1HD1 ILE 106 -0.874 -2.530 -5.045 575 HD12 ILE 106 2HD1 ILE 106 -0.305 -4.080 -5.684 576 HD13 ILE 106 3HD1 ILE 106 -0.390 -3.835 -3.926 577 H GLN 107 H GLN 107 4.289 -2.791 -2.190 578 HA GLN 107 HA GLN 107 4.728 -4.941 -4.242 579 HB2 GLN 107 2HB GLN 107 6.558 -4.124 -1.951 580 HB3 GLN 107 3HB GLN 107 6.657 -5.695 -2.752 581 HG2 GLN 107 2HG GLN 107 7.008 -4.588 -4.944 582 HG3 GLN 107 3HG GLN 107 6.885 -3.005 -4.185 583 HE21 GLN 107 1HE2 GLN 107 8.526 -2.420 -2.536 584 HE22 GLN 107 2HE2 GLN 107 10.157 -3.032 -2.788 585 H ALA 108 H ALA 108 3.093 -6.354 -3.913 586 HA ALA 108 HA ALA 108 1.981 -6.665 -1.198 587 HB1 ALA 108 1HB ALA 108 0.000 -7.496 -2.302 588 HB2 ALA 108 2HB ALA 108 0.504 -5.958 -3.027 589 HB3 ALA 108 3HB ALA 108 0.829 -7.491 -3.867 590 H ARG 109 H ARG 109 2.527 -8.328 0.032 591 HA ARG 109 HA ARG 109 3.437 -10.948 -1.151 592 HB2 ARG 109 2HB ARG 109 4.842 -9.053 0.752 593 HB3 ARG 109 3HB ARG 109 5.144 -10.764 0.870 594 HG2 ARG 109 2HG ARG 109 6.868 -9.936 -0.412 595 HG3 ARG 109 3HG ARG 109 5.852 -10.756 -1.561 596 HD2 ARG 109 2HD ARG 109 5.271 -7.854 -1.264 597 HD3 ARG 109 3HD ARG 109 6.921 -8.171 -1.739 598 HE ARG 109 HE ARG 109 4.540 -9.235 -3.235 599 HH11 ARG 109 1HH1 ARG 109 7.826 -7.958 -3.597 600 HH12 ARG 109 2HH1 ARG 109 7.474 -7.433 -5.216 601 HH21 ARG 109 1HH2 ARG 109 4.304 -8.713 -5.313 602 HH22 ARG 109 2HH2 ARG 109 5.550 -7.820 -6.150 603 H THR 110 H THR 110 3.921 -12.554 0.920 604 HA THR 110 HA THR 110 1.338 -12.596 2.388 605 HB THR 110 HB THR 110 1.418 -15.081 2.028 606 HG1 THR 110 1HG THR 110 3.245 -15.673 1.289 607 HG21 THR 110 1HG2 THR 110 -0.086 -13.698 0.702 608 HG22 THR 110 2HG2 THR 110 0.655 -14.930 -0.340 609 HG23 THR 110 3HG2 THR 110 1.223 -13.265 -0.423 610 HA PRO 111 HA PRO 111 3.355 -12.724 5.994 611 HB2 PRO 111 2HB PRO 111 1.813 -14.187 7.742 612 HB3 PRO 111 3HB PRO 111 1.424 -12.568 7.097 613 HG2 PRO 111 2HG PRO 111 0.407 -15.228 6.103 614 HG3 PRO 111 3HG PRO 111 -0.493 -13.702 6.372 615 HD2 PRO 111 2HD PRO 111 0.355 -14.445 3.895 616 HD3 PRO 111 3HD PRO 111 0.377 -12.732 4.422 617 H ALA 112 H ALA 112 2.645 -16.256 5.206 618 HA ALA 112 HA ALA 112 4.585 -17.137 7.080 619 HB1 ALA 112 1HB ALA 112 4.532 -19.265 5.920 620 HB2 ALA 112 2HB ALA 112 2.891 -18.622 5.999 621 HB3 ALA 112 3HB ALA 112 3.808 -18.539 4.479 622 H GLN 113 H GLN 113 5.094 -16.059 3.651 623 HA GLN 113 HA GLN 113 7.943 -16.701 3.767 624 HB2 GLN 113 2HB GLN 113 8.171 -15.535 1.736 625 HB3 GLN 113 3HB GLN 113 6.772 -16.598 1.649 626 HG2 GLN 113 2HG GLN 113 5.250 -14.769 1.877 627 HG3 GLN 113 3HG GLN 113 6.537 -13.622 2.261 628 HE21 GLN 113 1HE2 GLN 113 7.307 -12.390 0.544 629 HE22 GLN 113 2HE2 GLN 113 7.274 -12.995 -1.113 630 H TRP 114 H TRP 114 5.988 -13.727 4.618 631 HA TRP 114 HA TRP 114 8.343 -12.206 5.287 632 HB2 TRP 114 2HB TRP 114 6.006 -11.208 5.239 633 HB3 TRP 114 3HB TRP 114 5.703 -12.036 6.761 634 HD1 TRP 114 HD1 TRP 114 7.109 -11.121 8.861 635 HE1 TRP 114 HE1 TRP 114 8.057 -8.759 9.342 636 HE3 TRP 114 HE3 TRP 114 7.336 -9.321 4.064 637 HZ2 TRP 114 HZ2 TRP 114 8.101 -6.306 7.926 638 HZ3 TRP 114 HZ3 TRP 114 7.761 -6.903 3.673 639 HH2 TRP 114 HH2 TRP 114 8.144 -5.369 5.585 640 H ARG 115 H ARG 115 6.548 -14.654 7.123 641 HA ARG 115 HA ARG 115 7.844 -14.084 9.655 642 HB2 ARG 115 2HB ARG 115 6.304 -16.530 8.757 643 HB3 ARG 115 3HB ARG 115 6.745 -16.177 10.424 644 HG2 ARG 115 2HG ARG 115 5.152 -14.080 8.962 645 HG3 ARG 115 3HG ARG 115 4.367 -15.593 9.391 646 HD2 ARG 115 2HD ARG 115 3.857 -14.086 11.012 647 HD3 ARG 115 3HD ARG 115 5.044 -15.145 11.785 648 HE ARG 115 HE ARG 115 6.763 -13.349 11.384 649 HH11 ARG 115 1HH1 ARG 115 3.403 -12.233 11.659 650 HH12 ARG 115 2HH1 ARG 115 3.910 -10.573 11.765 651 HH21 ARG 115 1HH2 ARG 115 7.294 -11.366 11.656 652 HH22 ARG 115 2HH2 ARG 115 6.130 -10.089 11.924 653 H GLU 116 H GLU 116 8.494 -16.510 7.156 654 HA GLU 116 HA GLU 116 10.778 -17.606 8.635 655 HB2 GLU 116 2HB GLU 116 9.654 -18.099 5.857 656 HB3 GLU 116 3HB GLU 116 11.073 -18.931 6.489 657 HG2 GLU 116 2HG GLU 116 8.327 -19.035 7.814 658 HG3 GLU 116 3HG GLU 116 8.948 -20.237 6.684 659 H ASN 117 H ASN 117 10.457 -15.317 5.854 660 HA ASN 117 HA ASN 117 13.427 -14.931 5.976 661 HB2 ASN 117 2HB ASN 117 12.691 -16.687 4.336 662 HB3 ASN 117 3HB ASN 117 11.736 -15.476 3.504 663 HD21 ASN 117 1HD2 ASN 117 12.925 -15.888 1.567 664 HD22 ASN 117 2HD2 ASN 117 14.581 -15.305 1.398 665 H SER 118 H SER 118 10.869 -13.157 6.612 666 HA SER 118 HA SER 118 9.973 -11.110 6.160 667 HB2 SER 118 2HB SER 118 12.895 -10.407 6.088 668 HB3 SER 118 3HB SER 118 11.580 -9.226 6.149 669 HG SER 118 HG SER 118 11.535 -9.507 8.180 Start of MODEL 16 1 HA PRO 31 HA PRO 31 -0.534 12.788 7.031 2 HB2 PRO 31 2HB PRO 31 1.498 10.876 7.417 3 HB3 PRO 31 3HB PRO 31 1.619 12.614 7.782 4 HG2 PRO 31 2HG PRO 31 0.951 10.363 9.660 5 HG3 PRO 31 3HG PRO 31 2.037 11.770 9.917 6 HD2 PRO 31 2HD PRO 31 -0.431 11.791 10.948 7 HD3 PRO 31 3HD PRO 31 0.219 13.258 10.173 8 H VAL 32 H VAL 32 -0.628 11.583 5.194 9 HA VAL 32 HA VAL 32 -2.787 9.844 4.960 10 HB VAL 32 HB VAL 32 -1.831 11.209 3.158 11 HG11 VAL 32 1HG1 VAL 32 0.037 10.451 1.787 12 HG12 VAL 32 2HG1 VAL 32 0.604 10.726 3.443 13 HG13 VAL 32 3HG1 VAL 32 0.334 9.075 2.849 14 HG21 VAL 32 1HG2 VAL 32 -3.350 9.286 2.660 15 HG22 VAL 32 2HG2 VAL 32 -2.253 9.697 1.323 16 HG23 VAL 32 3HG2 VAL 32 -1.905 8.290 2.353 17 H GLU 33 H GLU 33 0.384 8.951 5.723 18 HA GLU 33 HA GLU 33 0.140 6.188 4.678 19 HB2 GLU 33 2HB GLU 33 2.504 5.983 4.995 20 HB3 GLU 33 3HB GLU 33 2.051 7.472 4.174 21 HG2 GLU 33 2HG GLU 33 2.317 8.471 6.663 22 HG3 GLU 33 3HG GLU 33 3.456 7.117 6.741 23 H ALA 34 H ALA 34 0.565 7.798 7.719 24 HA ALA 34 HA ALA 34 0.040 5.525 9.465 25 HB1 ALA 34 1HB ALA 34 1.038 7.691 10.197 26 HB2 ALA 34 2HB ALA 34 -0.531 8.480 9.909 27 HB3 ALA 34 3HB ALA 34 -0.368 7.213 11.143 28 H ALA 35 H ALA 35 -2.090 7.944 7.870 29 HA ALA 35 HA ALA 35 -4.546 6.942 8.868 30 HB1 ALA 35 1HB ALA 35 -5.526 8.147 6.951 31 HB2 ALA 35 2HB ALA 35 -4.311 9.138 7.787 32 HB3 ALA 35 3HB ALA 35 -3.930 8.355 6.240 33 H ILE 36 H ILE 36 -2.824 6.012 5.801 34 HA ILE 36 HA ILE 36 -4.860 4.112 5.151 35 HB ILE 36 HB ILE 36 -3.195 5.276 3.630 36 HG12 ILE 36 2HG1 ILE 36 -3.817 2.356 3.135 37 HG13 ILE 36 3HG1 ILE 36 -4.967 3.696 2.955 38 HG21 ILE 36 1HG2 ILE 36 -1.119 4.413 4.659 39 HG22 ILE 36 2HG2 ILE 36 -1.529 2.772 4.114 40 HG23 ILE 36 3HG2 ILE 36 -1.210 4.059 2.944 41 HD11 ILE 36 1HD1 ILE 36 -2.466 3.191 1.312 42 HD12 ILE 36 2HD1 ILE 36 -4.159 3.182 0.797 43 HD13 ILE 36 3HD1 ILE 36 -3.392 4.714 1.254 44 H ARG 37 H ARG 37 -1.709 3.662 6.798 45 HA ARG 37 HA ARG 37 -1.834 0.857 7.307 46 HB2 ARG 37 2HB ARG 37 -1.005 3.155 9.119 47 HB3 ARG 37 3HB ARG 37 -0.893 1.480 9.613 48 HG2 ARG 37 2HG ARG 37 0.352 1.849 6.993 49 HG3 ARG 37 3HG ARG 37 0.966 3.008 8.172 50 HD2 ARG 37 2HD ARG 37 0.834 0.010 8.694 51 HD3 ARG 37 3HD ARG 37 2.242 0.803 7.988 52 HE ARG 37 HE ARG 37 1.640 2.215 10.356 53 HH11 ARG 37 1HH1 ARG 37 3.225 -0.819 9.442 54 HH12 ARG 37 2HH1 ARG 37 3.847 -0.991 11.058 55 HH21 ARG 37 1HH2 ARG 37 2.228 1.656 12.433 56 HH22 ARG 37 2HH2 ARG 37 3.107 0.180 12.714 57 H THR 38 H THR 38 -3.318 3.406 9.323 58 HA THR 38 HA THR 38 -4.943 1.637 10.880 59 HB THR 38 HB THR 38 -5.090 4.581 10.256 60 HG1 THR 38 1HG THR 38 -3.520 3.617 11.723 61 HG21 THR 38 1HG2 THR 38 -7.434 4.037 10.680 62 HG22 THR 38 2HG2 THR 38 -6.738 4.812 12.101 63 HG23 THR 38 3HG2 THR 38 -6.979 3.048 12.088 64 H LYS 39 H LYS 39 -5.992 3.411 7.886 65 HA LYS 39 HA LYS 39 -8.655 2.358 7.936 66 HB2 LYS 39 2HB LYS 39 -6.931 3.717 5.882 67 HB3 LYS 39 3HB LYS 39 -8.244 2.732 5.272 68 HG2 LYS 39 2HG LYS 39 -9.107 4.897 5.423 69 HG3 LYS 39 3HG LYS 39 -9.862 3.955 6.704 70 HD2 LYS 39 2HD LYS 39 -8.278 5.031 8.356 71 HD3 LYS 39 3HD LYS 39 -7.631 6.018 7.018 72 HE2 LYS 39 2HE LYS 39 -9.929 6.860 6.551 73 HE3 LYS 39 3HE LYS 39 -10.543 5.913 7.910 74 HZ1 LYS 39 1HZ LYS 39 -8.595 8.130 8.136 75 HZ2 LYS 39 2HZ LYS 39 -9.229 7.277 9.413 76 HZ3 LYS 39 3HZ LYS 39 -10.186 8.225 8.477 77 H LEU 40 H LEU 40 -5.696 0.951 6.485 78 HA LEU 40 HA LEU 40 -7.240 -1.193 5.302 79 HB2 LEU 40 2HB LEU 40 -4.324 -0.490 5.366 80 HB3 LEU 40 3HB LEU 40 -4.862 -2.014 4.728 81 HG LEU 40 HG LEU 40 -4.484 -0.118 3.070 82 HD11 LEU 40 1HD1 LEU 40 -7.138 -1.610 3.031 83 HD12 LEU 40 2HD1 LEU 40 -5.585 -2.169 2.394 84 HD13 LEU 40 3HD1 LEU 40 -6.397 -0.795 1.620 85 HD21 LEU 40 1HD2 LEU 40 -7.293 0.789 3.804 86 HD22 LEU 40 2HD2 LEU 40 -6.261 1.395 2.500 87 HD23 LEU 40 3HD2 LEU 40 -5.813 1.707 4.167 88 H GLU 41 H GLU 41 -5.382 -0.902 8.357 89 HA GLU 41 HA GLU 41 -5.686 -3.520 9.375 90 HB2 GLU 41 2HB GLU 41 -4.655 -1.316 10.283 91 HB3 GLU 41 3HB GLU 41 -6.247 -0.874 10.753 92 HG2 GLU 41 2HG GLU 41 -5.148 -1.590 12.585 93 HG3 GLU 41 3HG GLU 41 -6.442 -2.755 12.260 94 H GLU 42 H GLU 42 -7.996 -0.702 9.471 95 HA GLU 42 HA GLU 42 -10.211 -2.119 10.457 96 HB2 GLU 42 2HB GLU 42 -9.400 0.519 9.266 97 HB3 GLU 42 3HB GLU 42 -11.030 0.107 9.089 98 HG2 GLU 42 2HG GLU 42 -11.213 -0.239 11.574 99 HG3 GLU 42 3HG GLU 42 -9.502 0.162 11.723 100 H ALA 43 H ALA 43 -9.026 -1.824 7.130 101 HA ALA 43 HA ALA 43 -11.527 -2.645 5.927 102 HB1 ALA 43 1HB ALA 43 -8.798 -2.330 4.663 103 HB2 ALA 43 2HB ALA 43 -10.354 -2.318 3.836 104 HB3 ALA 43 3HB ALA 43 -9.952 -0.983 4.923 105 H LEU 44 H LEU 44 -8.268 -4.378 5.981 106 HA LEU 44 HA LEU 44 -9.638 -6.480 4.365 107 HB2 LEU 44 2HB LEU 44 -7.728 -6.992 3.238 108 HB3 LEU 44 3HB LEU 44 -7.986 -5.270 3.149 109 HG LEU 44 HG LEU 44 -6.276 -5.763 5.454 110 HD11 LEU 44 1HD1 LEU 44 -4.334 -6.845 4.410 111 HD12 LEU 44 2HD1 LEU 44 -5.282 -7.174 2.943 112 HD13 LEU 44 3HD1 LEU 44 -5.705 -7.966 4.473 113 HD21 LEU 44 1HD2 LEU 44 -5.721 -4.680 2.695 114 HD22 LEU 44 2HD2 LEU 44 -4.767 -4.363 4.183 115 HD23 LEU 44 3HD2 LEU 44 -6.470 -3.820 4.057 116 H SER 45 H SER 45 -8.072 -5.958 7.305 117 HA SER 45 HA SER 45 -7.273 -7.225 8.979 118 HB2 SER 45 2HB SER 45 -8.296 -9.757 7.689 119 HB3 SER 45 3HB SER 45 -7.826 -9.487 9.372 120 HG SER 45 HG SER 45 -9.555 -7.671 9.072 121 HA PRO 46 HA PRO 46 -3.421 -7.668 6.513 122 HB2 PRO 46 2HB PRO 46 -2.542 -6.443 9.105 123 HB3 PRO 46 3HB PRO 46 -1.936 -6.162 7.504 124 HG2 PRO 46 2HG PRO 46 -3.657 -4.422 8.668 125 HG3 PRO 46 3HG PRO 46 -3.923 -4.857 6.934 126 HD2 PRO 46 2HD PRO 46 -5.292 -5.954 9.387 127 HD3 PRO 46 3HD PRO 46 -5.994 -5.473 7.807 128 H GLU 47 H GLU 47 -1.307 -8.763 6.963 129 HA GLU 47 HA GLU 47 -0.933 -9.823 9.714 130 HB2 GLU 47 2HB GLU 47 -0.087 -11.144 7.649 131 HB3 GLU 47 3HB GLU 47 1.024 -9.824 7.421 132 HG2 GLU 47 2HG GLU 47 2.259 -11.131 8.682 133 HG3 GLU 47 3HG GLU 47 1.622 -10.161 9.978 134 H VAL 48 H VAL 48 0.381 -7.539 7.212 135 HA VAL 48 HA VAL 48 1.831 -5.904 9.222 136 HB VAL 48 HB VAL 48 2.831 -8.321 7.856 137 HG11 VAL 48 1HG1 VAL 48 4.865 -6.109 7.879 138 HG12 VAL 48 2HG1 VAL 48 4.955 -7.796 7.275 139 HG13 VAL 48 3HG1 VAL 48 3.996 -6.611 6.413 140 HG21 VAL 48 1HG2 VAL 48 2.919 -8.084 10.285 141 HG22 VAL 48 2HG2 VAL 48 4.525 -8.313 9.597 142 HG23 VAL 48 3HG2 VAL 48 4.021 -6.697 10.116 143 H LEU 49 H LEU 49 2.717 -4.005 8.333 144 HA LEU 49 HA LEU 49 2.569 -3.528 5.439 145 HB2 LEU 49 2HB LEU 49 0.950 -1.840 7.412 146 HB3 LEU 49 3HB LEU 49 1.407 -1.324 5.798 147 HG LEU 49 HG LEU 49 0.135 -3.540 5.043 148 HD11 LEU 49 1HD1 LEU 49 -1.395 -2.731 7.563 149 HD12 LEU 49 2HD1 LEU 49 -0.451 -4.219 7.435 150 HD13 LEU 49 3HD1 LEU 49 -1.840 -3.971 6.372 151 HD21 LEU 49 1HD2 LEU 49 -0.459 -1.220 4.399 152 HD22 LEU 49 2HD2 LEU 49 -1.307 -1.005 5.941 153 HD23 LEU 49 3HD2 LEU 49 -1.889 -2.202 4.758 154 H GLU 50 H GLU 50 4.326 -2.296 4.817 155 HA GLU 50 HA GLU 50 5.512 -0.407 6.761 156 HB2 GLU 50 2HB GLU 50 7.162 -2.370 5.171 157 HB3 GLU 50 3HB GLU 50 7.734 -1.031 6.123 158 HG2 GLU 50 2HG GLU 50 6.422 -2.225 8.082 159 HG3 GLU 50 3HG GLU 50 6.638 -3.663 7.089 160 H LEU 51 H LEU 51 5.784 1.445 5.827 161 HA LEU 51 HA LEU 51 5.918 1.734 2.891 162 HB2 LEU 51 2HB LEU 51 3.791 2.517 2.518 163 HB3 LEU 51 3HB LEU 51 3.536 1.154 3.606 164 HG LEU 51 HG LEU 51 3.527 4.075 4.251 165 HD11 LEU 51 1HD1 LEU 51 1.524 3.269 3.056 166 HD12 LEU 51 2HD1 LEU 51 1.149 3.800 4.706 167 HD13 LEU 51 3HD1 LEU 51 1.252 2.066 4.337 168 HD21 LEU 51 1HD2 LEU 51 3.010 1.734 6.120 169 HD22 LEU 51 2HD2 LEU 51 2.643 3.436 6.522 170 HD23 LEU 51 3HD2 LEU 51 4.308 2.929 6.272 171 H ARG 52 H ARG 52 5.854 3.968 2.104 172 HA ARG 52 HA ARG 52 6.575 6.098 3.989 173 HB2 ARG 52 2HB ARG 52 8.669 4.707 3.693 174 HB3 ARG 52 3HB ARG 52 8.577 4.977 1.957 175 HG2 ARG 52 2HG ARG 52 10.237 6.393 2.976 176 HG3 ARG 52 3HG ARG 52 8.932 7.407 2.334 177 HD2 ARG 52 2HD ARG 52 8.003 7.672 4.590 178 HD3 ARG 52 3HD ARG 52 9.205 6.544 5.250 179 HE ARG 52 HE ARG 52 10.663 8.570 3.973 180 HH11 ARG 52 1HH1 ARG 52 8.366 8.445 6.649 181 HH12 ARG 52 2HH1 ARG 52 9.082 9.827 7.432 182 HH21 ARG 52 1HH2 ARG 52 11.599 10.285 5.139 183 HH22 ARG 52 2HH2 ARG 52 10.901 10.691 6.695 184 H ASN 53 H ASN 53 5.721 7.944 3.175 185 HA ASN 53 HA ASN 53 5.446 8.194 0.230 186 HB2 ASN 53 2HB ASN 53 3.672 9.395 0.609 187 HB3 ASN 53 3HB ASN 53 3.854 9.113 2.325 188 HD21 ASN 53 1HD2 ASN 53 4.248 10.921 3.602 189 HD22 ASN 53 2HD2 ASN 53 4.688 12.502 2.926 190 H GLU 54 H GLU 54 6.674 9.316 -1.055 191 HA GLU 54 HA GLU 54 9.309 10.200 0.029 192 HB2 GLU 54 2HB GLU 54 10.277 9.442 -1.994 193 HB3 GLU 54 3HB GLU 54 9.208 8.170 -1.401 194 HG2 GLU 54 2HG GLU 54 7.483 8.802 -3.042 195 HG3 GLU 54 3HG GLU 54 8.474 10.159 -3.593 196 H SER 55 H SER 55 6.593 11.675 -1.076 197 HA SER 55 HA SER 55 7.240 13.465 -3.028 198 HB2 SER 55 2HB SER 55 5.340 14.661 -2.385 199 HB3 SER 55 3HB SER 55 5.098 12.904 -2.099 200 HG SER 55 HG SER 55 5.238 13.223 0.054 201 H GLY 56 H GLY 56 8.588 13.683 0.116 202 HA2 GLY 56 2HA GLY 56 9.384 16.445 0.167 203 HA3 GLY 56 3HA GLY 56 10.237 15.105 0.920 204 H GLY 57 H GLY 57 10.462 13.862 -1.944 205 HA2 GLY 57 2HA GLY 57 12.884 15.247 -2.855 206 HA3 GLY 57 3HA GLY 57 12.141 13.813 -3.563 207 H HIS 58 H HIS 58 9.785 16.268 -3.279 208 HA HIS 58 HA HIS 58 10.085 16.947 -6.175 209 HB2 HIS 58 2HB HIS 58 7.612 15.926 -4.703 210 HB3 HIS 58 3HB HIS 58 7.628 16.466 -6.360 211 HD1 HIS 58 1HD HIS 58 9.218 14.987 -8.137 212 HD2 HIS 58 2HD HIS 58 8.814 13.499 -4.236 213 HE1 HIS 58 1HE HIS 58 10.331 12.699 -8.118 214 H ALA 59 H ALA 59 8.870 18.723 -6.973 215 HA ALA 59 HA ALA 59 8.714 21.043 -5.161 216 HB1 ALA 59 1HB ALA 59 8.115 22.232 -7.254 217 HB2 ALA 59 2HB ALA 59 9.641 21.350 -7.399 218 HB3 ALA 59 3HB ALA 59 8.167 20.693 -8.141 219 H VAL 60 H VAL 60 7.059 20.749 -3.761 220 HA VAL 60 HA VAL 60 4.300 20.555 -4.776 221 HB VAL 60 HB VAL 60 3.669 18.766 -3.265 222 HG11 VAL 60 1HG1 VAL 60 4.325 18.121 -5.514 223 HG12 VAL 60 2HG1 VAL 60 5.991 17.837 -4.952 224 HG13 VAL 60 3HG1 VAL 60 4.667 16.856 -4.324 225 HG21 VAL 60 1HG2 VAL 60 6.585 18.341 -2.565 226 HG22 VAL 60 2HG2 VAL 60 5.364 19.038 -1.466 227 HG23 VAL 60 3HG2 VAL 60 5.187 17.379 -2.037 228 HA PRO 61 HA PRO 61 3.643 23.581 -1.598 229 HB2 PRO 61 2HB PRO 61 1.057 22.174 -0.961 230 HB3 PRO 61 3HB PRO 61 1.360 23.914 -1.238 231 HG2 PRO 61 2HG PRO 61 0.276 22.366 -3.186 232 HG3 PRO 61 3HG PRO 61 1.520 23.596 -3.591 233 HD2 PRO 61 2HD PRO 61 1.852 20.608 -3.292 234 HD3 PRO 61 3HD PRO 61 2.549 21.721 -4.503 235 HA PRO 62 HA PRO 62 5.361 21.489 1.850 236 HB2 PRO 62 2HB PRO 62 5.230 23.295 3.898 237 HB3 PRO 62 3HB PRO 62 6.288 23.498 2.464 238 HG2 PRO 62 2HG PRO 62 3.533 24.678 2.899 239 HG3 PRO 62 3HG PRO 62 5.032 25.531 2.395 240 HD2 PRO 62 2HD PRO 62 3.212 24.711 0.566 241 HD3 PRO 62 3HD PRO 62 4.965 24.544 0.236 242 H GLY 63 H GLY 63 4.529 19.785 2.878 243 HA2 GLY 63 2HA GLY 63 3.160 18.683 4.489 244 HA3 GLY 63 3HA GLY 63 1.964 19.980 4.380 245 H SER 64 H SER 64 2.958 19.212 1.250 246 HA SER 64 HA SER 64 0.632 17.580 0.616 247 HB2 SER 64 2HB SER 64 2.996 18.468 -1.058 248 HB3 SER 64 3HB SER 64 1.607 17.571 -1.675 249 HG SER 64 HG SER 64 1.735 20.145 -0.554 250 H GLU 65 H GLU 65 0.716 15.615 -0.235 251 HA GLU 65 HA GLU 65 2.972 13.749 0.409 252 HB2 GLU 65 2HB GLU 65 0.068 13.454 1.237 253 HB3 GLU 65 3HB GLU 65 1.351 12.266 1.494 254 HG2 GLU 65 2HG GLU 65 2.448 13.628 3.115 255 HG3 GLU 65 3HG GLU 65 1.484 15.049 2.714 256 H THR 66 H THR 66 2.985 14.221 -2.124 257 HA THR 66 HA THR 66 0.673 13.268 -3.612 258 HB THR 66 HB THR 66 1.847 14.157 -5.536 259 HG1 THR 66 1HG THR 66 3.934 14.832 -5.412 260 HG21 THR 66 1HG2 THR 66 2.253 16.456 -4.962 261 HG22 THR 66 2HG2 THR 66 2.459 16.066 -3.249 262 HG23 THR 66 3HG2 THR 66 0.859 15.885 -4.021 263 H HIS 67 H HIS 67 3.396 11.686 -2.425 264 HA HIS 67 HA HIS 67 3.826 9.976 -4.839 265 HB2 HIS 67 2HB HIS 67 5.216 12.282 -4.097 266 HB3 HIS 67 3HB HIS 67 6.184 11.031 -3.383 267 HD1 HIS 67 1HD HIS 67 8.070 10.553 -5.345 268 HD2 HIS 67 2HD HIS 67 4.260 11.734 -6.617 269 HE1 HIS 67 1HE HIS 67 8.226 10.688 -7.861 270 H PHE 68 H PHE 68 3.968 7.835 -4.289 271 HA PHE 68 HA PHE 68 4.579 7.248 -1.451 272 HB2 PHE 68 2HB PHE 68 2.091 7.555 -2.457 273 HB3 PHE 68 3HB PHE 68 2.305 5.946 -2.959 274 HD1 PHE 68 1HD PHE 68 0.109 5.898 -1.640 275 HD2 PHE 68 2HD PHE 68 3.922 6.453 0.306 276 HE1 PHE 68 1HE PHE 68 -0.915 5.394 0.554 277 HE2 PHE 68 2HE PHE 68 2.900 5.951 2.475 278 HZ PHE 68 HZ PHE 68 0.473 5.458 2.618 279 H ARG 69 H ARG 69 5.328 5.270 -0.776 280 HA ARG 69 HA ARG 69 5.538 3.004 -2.691 281 HB2 ARG 69 2HB ARG 69 7.780 4.453 -1.475 282 HB3 ARG 69 3HB ARG 69 7.694 2.838 -0.806 283 HG2 ARG 69 2HG ARG 69 9.152 2.736 -2.668 284 HG3 ARG 69 3HG ARG 69 7.670 1.893 -3.138 285 HD2 ARG 69 2HD ARG 69 6.943 3.837 -4.439 286 HD3 ARG 69 3HD ARG 69 8.334 4.774 -3.857 287 HE ARG 69 HE ARG 69 8.860 2.246 -5.318 288 HH11 ARG 69 1HH1 ARG 69 9.074 5.764 -5.558 289 HH12 ARG 69 2HH1 ARG 69 9.525 5.662 -7.244 290 HH21 ARG 69 1HH2 ARG 69 9.399 2.229 -7.395 291 HH22 ARG 69 2HH2 ARG 69 9.824 3.691 -8.233 292 H VAL 70 H VAL 70 4.630 1.186 -1.843 293 HA VAL 70 HA VAL 70 4.329 0.964 1.121 294 HB VAL 70 HB VAL 70 2.081 0.151 -0.725 295 HG11 VAL 70 1HG1 VAL 70 0.751 0.017 1.212 296 HG12 VAL 70 2HG1 VAL 70 2.290 -0.672 1.768 297 HG13 VAL 70 3HG1 VAL 70 1.858 0.983 2.176 298 HG21 VAL 70 1HG2 VAL 70 2.336 2.867 0.624 299 HG22 VAL 70 2HG2 VAL 70 2.211 2.540 -1.116 300 HG23 VAL 70 3HG2 VAL 70 0.839 2.203 -0.062 301 H ALA 71 H ALA 71 4.748 -0.916 1.981 302 HA ALA 71 HA ALA 71 4.692 -3.370 0.249 303 HB1 ALA 71 1HB ALA 71 6.185 -3.054 2.884 304 HB2 ALA 71 2HB ALA 71 6.217 -4.430 1.771 305 HB3 ALA 71 3HB ALA 71 6.936 -2.883 1.280 306 H VAL 72 H VAL 72 3.044 -4.748 0.678 307 HA VAL 72 HA VAL 72 1.689 -4.569 3.328 308 HB VAL 72 HB VAL 72 -0.484 -4.892 2.308 309 HG11 VAL 72 1HG1 VAL 72 0.456 -2.591 2.765 310 HG12 VAL 72 2HG1 VAL 72 0.847 -2.478 1.041 311 HG13 VAL 72 3HG1 VAL 72 -0.844 -2.645 1.555 312 HG21 VAL 72 1HG2 VAL 72 -0.908 -4.532 -0.079 313 HG22 VAL 72 2HG2 VAL 72 0.832 -4.428 -0.403 314 HG23 VAL 72 3HG2 VAL 72 0.115 -5.955 0.139 315 H VAL 73 H VAL 73 1.144 -6.414 4.320 316 HA VAL 73 HA VAL 73 1.605 -8.987 2.886 317 HB VAL 73 HB VAL 73 2.479 -8.334 5.693 318 HG11 VAL 73 1HG1 VAL 73 3.704 -10.441 5.588 319 HG12 VAL 73 2HG1 VAL 73 1.992 -10.748 5.307 320 HG13 VAL 73 3HG1 VAL 73 3.125 -10.728 3.935 321 HG21 VAL 73 1HG2 VAL 73 4.156 -8.537 3.168 322 HG22 VAL 73 2HG2 VAL 73 3.928 -7.090 4.155 323 HG23 VAL 73 3HG2 VAL 73 4.798 -8.470 4.817 324 H SER 74 H SER 74 -0.035 -10.458 3.153 325 HA SER 74 HA SER 74 -1.281 -10.735 5.762 326 HB2 SER 74 2HB SER 74 -2.706 -8.908 5.055 327 HB3 SER 74 3HB SER 74 -3.100 -9.751 3.533 328 HG SER 74 HG SER 74 -4.513 -9.975 5.688 329 H SER 75 H SER 75 -2.446 -12.667 6.072 330 HA SER 75 HA SER 75 -1.802 -14.844 4.217 331 HB2 SER 75 2HB SER 75 -3.036 -16.240 5.752 332 HB3 SER 75 3HB SER 75 -1.900 -15.219 6.644 333 HG SER 75 HG SER 75 -4.460 -15.486 7.004 334 H ARG 76 H ARG 76 -4.346 -12.534 4.460 335 HA ARG 76 HA ARG 76 -6.443 -13.866 3.055 336 HB2 ARG 76 2HB ARG 76 -6.430 -11.697 4.385 337 HB3 ARG 76 3HB ARG 76 -5.849 -10.897 2.917 338 HG2 ARG 76 2HG ARG 76 -7.884 -11.419 1.734 339 HG3 ARG 76 3HG ARG 76 -8.311 -12.687 2.896 340 HD2 ARG 76 2HD ARG 76 -8.435 -10.857 4.662 341 HD3 ARG 76 3HD ARG 76 -8.434 -9.688 3.319 342 HE ARG 76 HE ARG 76 -10.380 -11.800 2.915 343 HH11 ARG 76 1HH1 ARG 76 -10.085 -8.958 4.920 344 HH12 ARG 76 2HH1 ARG 76 -11.834 -8.706 4.944 345 HH21 ARG 76 1HH2 ARG 76 -12.408 -11.643 3.211 346 HH22 ARG 76 2HH2 ARG 76 -13.148 -10.303 4.092 347 H PHE 77 H PHE 77 -3.353 -12.877 1.883 348 HA PHE 77 HA PHE 77 -4.163 -12.810 -0.946 349 HB2 PHE 77 2HB PHE 77 -1.507 -12.251 0.402 350 HB3 PHE 77 3HB PHE 77 -1.928 -11.917 -1.256 351 HD1 PHE 77 1HD PHE 77 -0.653 -9.982 0.528 352 HD2 PHE 77 2HD PHE 77 -4.835 -10.687 -0.223 353 HE1 PHE 77 1HE PHE 77 -1.153 -7.626 1.101 354 HE2 PHE 77 2HE PHE 77 -5.331 -8.328 0.312 355 HZ PHE 77 HZ PHE 77 -3.488 -6.780 0.954 356 H GLU 78 H GLU 78 -3.802 -15.477 0.822 357 HA GLU 78 HA GLU 78 -1.481 -16.650 -0.333 358 HB2 GLU 78 2HB GLU 78 -2.082 -18.613 0.832 359 HB3 GLU 78 3HB GLU 78 -2.311 -17.196 1.853 360 HG2 GLU 78 2HG GLU 78 -4.800 -17.363 1.308 361 HG3 GLU 78 3HG GLU 78 -4.443 -18.899 0.508 362 H GLY 79 H GLY 79 -1.053 -17.875 -1.998 363 HA2 GLY 79 2HA GLY 79 -1.266 -19.514 -3.570 364 HA3 GLY 79 3HA GLY 79 -2.972 -19.700 -3.169 365 H LEU 80 H LEU 80 -2.823 -16.519 -3.924 366 HA LEU 80 HA LEU 80 -3.834 -16.861 -6.636 367 HB2 LEU 80 2HB LEU 80 -3.975 -14.331 -6.410 368 HB3 LEU 80 3HB LEU 80 -5.023 -15.313 -5.446 369 HG LEU 80 HG LEU 80 -3.691 -14.804 -3.575 370 HD11 LEU 80 1HD1 LEU 80 -1.424 -14.603 -4.397 371 HD12 LEU 80 2HD1 LEU 80 -1.857 -13.069 -3.650 372 HD13 LEU 80 3HD1 LEU 80 -1.880 -13.209 -5.416 373 HD21 LEU 80 1HD2 LEU 80 -5.473 -13.293 -4.110 374 HD22 LEU 80 2HD2 LEU 80 -4.439 -12.375 -5.208 375 HD23 LEU 80 3HD2 LEU 80 -4.136 -12.350 -3.444 376 H SER 81 H SER 81 -3.066 -15.145 -8.257 377 HA SER 81 HA SER 81 -0.143 -15.278 -8.679 378 HB2 SER 81 2HB SER 81 -1.076 -15.512 -10.712 379 HB3 SER 81 3HB SER 81 -2.531 -14.611 -10.298 380 HG SER 81 HG SER 81 -1.255 -13.568 -11.808 381 HA PRO 82 HA PRO 82 0.442 -11.332 -6.558 382 HB2 PRO 82 2HB PRO 82 2.747 -11.107 -8.503 383 HB3 PRO 82 3HB PRO 82 2.709 -10.729 -6.752 384 HG2 PRO 82 2HG PRO 82 3.775 -13.055 -7.576 385 HG3 PRO 82 3HG PRO 82 2.638 -13.064 -6.189 386 HD2 PRO 82 2HD PRO 82 2.034 -13.731 -9.092 387 HD3 PRO 82 3HD PRO 82 1.592 -14.632 -7.604 388 H LEU 83 H LEU 83 0.589 -11.548 -10.133 389 HA LEU 83 HA LEU 83 -0.093 -8.798 -10.655 390 HB2 LEU 83 2HB LEU 83 1.071 -10.241 -12.233 391 HB3 LEU 83 3HB LEU 83 -0.305 -11.316 -12.360 392 HG LEU 83 HG LEU 83 0.126 -9.778 -14.281 393 HD11 LEU 83 1HD1 LEU 83 -2.102 -10.833 -13.923 394 HD12 LEU 83 2HD1 LEU 83 -2.144 -9.306 -14.816 395 HD13 LEU 83 3HD1 LEU 83 -2.646 -9.337 -13.126 396 HD21 LEU 83 1HD2 LEU 83 -0.986 -7.574 -12.504 397 HD22 LEU 83 2HD2 LEU 83 -0.553 -7.458 -14.216 398 HD23 LEU 83 3HD2 LEU 83 0.713 -7.736 -13.010 399 H GLN 84 H GLN 84 -2.091 -11.790 -10.417 400 HA GLN 84 HA GLN 84 -4.653 -10.623 -10.866 401 HB2 GLN 84 2HB GLN 84 -4.323 -12.991 -10.853 402 HB3 GLN 84 3HB GLN 84 -3.676 -12.977 -9.222 403 HG2 GLN 84 2HG GLN 84 -5.891 -12.431 -8.296 404 HG3 GLN 84 3HG GLN 84 -6.584 -12.512 -9.927 405 HE21 GLN 84 1HE2 GLN 84 -6.687 -14.294 -7.252 406 HE22 GLN 84 2HE2 GLN 84 -6.448 -15.910 -7.900 407 H ARG 85 H ARG 85 -2.800 -10.933 -7.819 408 HA ARG 85 HA ARG 85 -4.630 -9.566 -6.079 409 HB2 ARG 85 2HB ARG 85 -3.010 -10.733 -4.923 410 HB3 ARG 85 3HB ARG 85 -1.762 -10.412 -6.091 411 HG2 ARG 85 2HG ARG 85 -1.212 -9.458 -3.976 412 HG3 ARG 85 3HG ARG 85 -1.351 -8.225 -5.231 413 HD2 ARG 85 2HD ARG 85 -2.310 -7.822 -2.790 414 HD3 ARG 85 3HD ARG 85 -3.143 -7.202 -4.190 415 HE ARG 85 HE ARG 85 -3.959 -9.748 -2.796 416 HH11 ARG 85 1HH1 ARG 85 -5.005 -6.809 -4.393 417 HH12 ARG 85 2HH1 ARG 85 -6.563 -6.821 -3.621 418 HH21 ARG 85 1HH2 ARG 85 -6.160 -9.981 -2.288 419 HH22 ARG 85 2HH2 ARG 85 -7.213 -8.626 -2.575 420 H HIS 86 H HIS 86 -1.766 -8.239 -7.771 421 HA HIS 86 HA HIS 86 -2.060 -5.534 -6.946 422 HB2 HIS 86 2HB HIS 86 -0.590 -7.164 -8.898 423 HB3 HIS 86 3HB HIS 86 -0.788 -5.475 -9.410 424 HD1 HIS 86 1HD HIS 86 1.468 -4.322 -8.852 425 HD2 HIS 86 2HD HIS 86 0.347 -7.305 -6.117 426 HE1 HIS 86 1HE HIS 86 3.349 -4.492 -7.142 427 H ARG 87 H ARG 87 -3.238 -7.169 -9.948 428 HA ARG 87 HA ARG 87 -4.687 -4.997 -11.022 429 HB2 ARG 87 2HB ARG 87 -4.133 -7.166 -12.179 430 HB3 ARG 87 3HB ARG 87 -5.311 -7.989 -11.158 431 HG2 ARG 87 2HG ARG 87 -6.321 -7.593 -13.302 432 HG3 ARG 87 3HG ARG 87 -7.115 -6.534 -12.137 433 HD2 ARG 87 2HD ARG 87 -5.520 -4.688 -12.909 434 HD3 ARG 87 3HD ARG 87 -4.983 -5.788 -14.189 435 HE ARG 87 HE ARG 87 -7.756 -5.741 -14.431 436 HH11 ARG 87 1HH1 ARG 87 -5.321 -3.158 -14.563 437 HH12 ARG 87 2HH1 ARG 87 -6.521 -2.080 -15.284 438 HH21 ARG 87 1HH2 ARG 87 -9.052 -4.341 -15.341 439 HH22 ARG 87 2HH2 ARG 87 -8.504 -2.671 -15.635 440 H LEU 88 H LEU 88 -5.808 -7.447 -8.628 441 HA LEU 88 HA LEU 88 -8.398 -6.346 -8.289 442 HB2 LEU 88 2HB LEU 88 -6.877 -8.424 -7.124 443 HB3 LEU 88 3HB LEU 88 -7.251 -7.364 -5.788 444 HG LEU 88 HG LEU 88 -9.281 -8.591 -7.695 445 HD11 LEU 88 1HD1 LEU 88 -8.181 -10.236 -6.219 446 HD12 LEU 88 2HD1 LEU 88 -9.874 -9.999 -5.760 447 HD13 LEU 88 3HD1 LEU 88 -8.587 -9.247 -4.796 448 HD21 LEU 88 1HD2 LEU 88 -9.717 -7.023 -5.112 449 HD22 LEU 88 2HD2 LEU 88 -10.971 -7.851 -6.051 450 HD23 LEU 88 3HD2 LEU 88 -10.129 -6.467 -6.753 451 H VAL 89 H VAL 89 -5.304 -5.342 -6.694 452 HA VAL 89 HA VAL 89 -6.550 -3.258 -5.090 453 HB VAL 89 HB VAL 89 -3.725 -3.112 -6.219 454 HG11 VAL 89 1HG1 VAL 89 -4.518 -1.001 -5.210 455 HG12 VAL 89 2HG1 VAL 89 -4.996 -1.876 -3.739 456 HG13 VAL 89 3HG1 VAL 89 -3.285 -1.754 -4.206 457 HG21 VAL 89 1HG2 VAL 89 -4.704 -4.439 -3.662 458 HG22 VAL 89 2HG2 VAL 89 -3.852 -5.198 -5.034 459 HG23 VAL 89 3HG2 VAL 89 -3.002 -4.046 -4.021 460 H HIS 90 H HIS 90 -5.409 -3.322 -8.424 461 HA HIS 90 HA HIS 90 -5.506 -0.474 -8.849 462 HB2 HIS 90 2HB HIS 90 -5.555 -2.733 -10.911 463 HB3 HIS 90 3HB HIS 90 -5.243 -1.045 -11.244 464 HD1 HIS 90 1HD HIS 90 -3.105 -2.827 -12.310 465 HD2 HIS 90 2HD HIS 90 -3.133 -1.422 -8.334 466 HE1 HIS 90 1HE HIS 90 -0.713 -3.019 -11.449 467 H ALA 91 H ALA 91 -7.762 -3.130 -9.742 468 HA ALA 91 HA ALA 91 -9.652 -1.110 -10.733 469 HB1 ALA 91 1HB ALA 91 -10.951 -3.078 -11.493 470 HB2 ALA 91 2HB ALA 91 -9.262 -3.206 -12.017 471 HB3 ALA 91 3HB ALA 91 -9.838 -4.165 -10.633 472 H ALA 92 H ALA 92 -9.482 -3.173 -7.787 473 HA ALA 92 HA ALA 92 -12.132 -2.114 -7.057 474 HB1 ALA 92 1HB ALA 92 -10.180 -3.601 -5.239 475 HB2 ALA 92 2HB ALA 92 -11.909 -3.380 -5.016 476 HB3 ALA 92 3HB ALA 92 -11.338 -4.431 -6.325 477 H LEU 93 H LEU 93 -8.708 -1.422 -6.150 478 HA LEU 93 HA LEU 93 -9.921 0.443 -4.114 479 HB2 LEU 93 2HB LEU 93 -7.434 -1.267 -4.014 480 HB3 LEU 93 3HB LEU 93 -7.857 -0.036 -2.854 481 HG LEU 93 HG LEU 93 -8.998 -2.780 -3.246 482 HD11 LEU 93 1HD1 LEU 93 -7.427 -1.957 -1.535 483 HD12 LEU 93 2HD1 LEU 93 -8.941 -2.590 -0.817 484 HD13 LEU 93 3HD1 LEU 93 -8.691 -0.810 -0.979 485 HD21 LEU 93 1HD2 LEU 93 -11.004 -2.295 -1.858 486 HD22 LEU 93 2HD2 LEU 93 -11.176 -1.608 -3.461 487 HD23 LEU 93 3HD2 LEU 93 -10.766 -0.564 -2.090 488 H ALA 94 H ALA 94 -8.825 0.859 -6.911 489 HA ALA 94 HA ALA 94 -6.617 2.641 -6.676 490 HB1 ALA 94 1HB ALA 94 -7.587 3.882 -8.702 491 HB2 ALA 94 2HB ALA 94 -7.289 2.162 -8.878 492 HB3 ALA 94 3HB ALA 94 -8.959 2.750 -8.622 493 H GLU 95 H GLU 95 -10.030 3.528 -5.894 494 HA GLU 95 HA GLU 95 -9.235 6.279 -5.410 495 HB2 GLU 95 2HB GLU 95 -11.574 5.303 -6.006 496 HB3 GLU 95 3HB GLU 95 -11.688 4.854 -4.308 497 HG2 GLU 95 2HG GLU 95 -12.854 6.932 -4.685 498 HG3 GLU 95 3HG GLU 95 -11.454 7.246 -3.668 499 H GLU 96 H GLU 96 -8.973 3.368 -3.372 500 HA GLU 96 HA GLU 96 -9.104 4.685 -0.853 501 HB2 GLU 96 2HB GLU 96 -8.477 1.943 -1.919 502 HB3 GLU 96 3HB GLU 96 -8.555 2.363 -0.261 503 HG2 GLU 96 2HG GLU 96 -10.936 3.238 -1.804 504 HG3 GLU 96 3HG GLU 96 -10.582 1.580 -1.886 505 H LEU 97 H LEU 97 -6.656 2.897 -2.815 506 HA LEU 97 HA LEU 97 -4.353 3.649 -1.258 507 HB2 LEU 97 2HB LEU 97 -5.331 1.811 -3.350 508 HB3 LEU 97 3HB LEU 97 -3.895 2.513 -3.860 509 HG LEU 97 HG LEU 97 -3.418 0.394 -2.835 510 HD11 LEU 97 1HD1 LEU 97 -2.453 2.571 -0.957 511 HD12 LEU 97 2HD1 LEU 97 -1.704 2.082 -2.482 512 HD13 LEU 97 3HD1 LEU 97 -1.769 0.941 -1.128 513 HD21 LEU 97 1HD2 LEU 97 -3.903 -0.113 -0.477 514 HD22 LEU 97 2HD2 LEU 97 -5.374 0.164 -1.428 515 HD23 LEU 97 3HD2 LEU 97 -4.789 1.418 -0.330 516 H GLY 98 H GLY 98 -5.896 4.634 -4.326 517 HA2 GLY 98 2HA GLY 98 -3.393 6.066 -5.153 518 HA3 GLY 98 3HA GLY 98 -4.640 5.415 -6.211 519 H GLY 99 H GLY 99 -6.462 6.741 -3.927 520 HA2 GLY 99 2HA GLY 99 -7.519 8.798 -5.541 521 HA3 GLY 99 3HA GLY 99 -7.805 8.581 -3.808 522 HA PRO 100 HA PRO 100 -5.513 12.118 -2.981 523 HB2 PRO 100 2HB PRO 100 -4.163 11.779 -0.663 524 HB3 PRO 100 3HB PRO 100 -5.917 11.422 -0.821 525 HG2 PRO 100 2HG PRO 100 -3.646 9.425 -1.025 526 HG3 PRO 100 3HG PRO 100 -5.081 9.362 0.053 527 HD2 PRO 100 2HD PRO 100 -5.050 8.120 -2.377 528 HD3 PRO 100 3HD PRO 100 -6.528 8.886 -1.733 529 H VAL 101 H VAL 101 -3.349 9.763 -4.179 530 HA VAL 101 HA VAL 101 -0.901 11.450 -4.200 531 HB VAL 101 HB VAL 101 0.076 9.185 -4.596 532 HG11 VAL 101 1HG1 VAL 101 -1.554 9.319 -2.041 533 HG12 VAL 101 2HG1 VAL 101 -0.112 8.342 -2.312 534 HG13 VAL 101 3HG1 VAL 101 0.020 10.111 -2.303 535 HG21 VAL 101 1HG2 VAL 101 -2.602 8.001 -3.849 536 HG22 VAL 101 2HG2 VAL 101 -1.923 8.022 -5.496 537 HG23 VAL 101 3HG2 VAL 101 -1.091 7.165 -4.193 538 H HIS 102 H HIS 102 0.295 11.542 -6.020 539 HA HIS 102 HA HIS 102 -1.102 11.054 -8.597 540 HB2 HIS 102 2HB HIS 102 -0.724 13.129 -9.213 541 HB3 HIS 102 3HB HIS 102 -0.153 13.448 -7.557 542 HD1 HIS 102 1HD HIS 102 1.209 13.587 -10.994 543 HD2 HIS 102 2HD HIS 102 2.377 12.787 -7.075 544 HE1 HIS 102 1HE HIS 102 3.718 14.079 -10.943 545 H ALA 103 H ALA 103 1.613 10.115 -6.670 546 HA ALA 103 HA ALA 103 1.968 8.072 -8.755 547 HB1 ALA 103 1HB ALA 103 3.868 9.827 -8.986 548 HB2 ALA 103 2HB ALA 103 4.456 9.147 -7.437 549 HB3 ALA 103 3HB ALA 103 4.312 8.115 -8.857 550 H LEU 104 H LEU 104 2.464 6.074 -7.976 551 HA LEU 104 HA LEU 104 3.323 5.617 -5.323 552 HB2 LEU 104 2HB LEU 104 1.579 4.408 -4.464 553 HB3 LEU 104 3HB LEU 104 0.956 6.002 -4.846 554 HG LEU 104 HG LEU 104 0.375 3.423 -6.391 555 HD11 LEU 104 1HD1 LEU 104 -0.521 3.357 -4.162 556 HD12 LEU 104 2HD1 LEU 104 -1.859 3.694 -5.280 557 HD13 LEU 104 3HD1 LEU 104 -1.149 4.998 -4.292 558 HD21 LEU 104 1HD2 LEU 104 -1.489 4.762 -7.388 559 HD22 LEU 104 2HD2 LEU 104 0.100 5.337 -7.887 560 HD23 LEU 104 3HD2 LEU 104 -0.812 6.225 -6.646 561 H ALA 105 H ALA 105 4.339 3.700 -5.047 562 HA ALA 105 HA ALA 105 3.780 1.505 -7.009 563 HB1 ALA 105 1HB ALA 105 6.039 2.555 -7.312 564 HB2 ALA 105 2HB ALA 105 6.448 1.957 -5.683 565 HB3 ALA 105 3HB ALA 105 6.042 0.816 -6.972 566 H ILE 106 H ILE 106 3.383 -0.527 -6.232 567 HA ILE 106 HA ILE 106 3.321 -0.898 -3.271 568 HB ILE 106 HB ILE 106 1.385 -2.434 -3.745 569 HG12 ILE 106 2HG1 ILE 106 1.133 -0.963 -6.398 570 HG13 ILE 106 3HG1 ILE 106 1.931 -2.527 -6.283 571 HG21 ILE 106 1HG2 ILE 106 1.127 -0.151 -2.808 572 HG22 ILE 106 2HG2 ILE 106 0.969 0.508 -4.445 573 HG23 ILE 106 3HG2 ILE 106 -0.254 -0.609 -3.809 574 HD11 ILE 106 1HD1 ILE 106 -0.124 -3.558 -5.420 575 HD12 ILE 106 2HD1 ILE 106 -0.959 -1.982 -5.562 576 HD13 ILE 106 3HD1 ILE 106 -0.345 -2.804 -7.009 577 H GLN 107 H GLN 107 3.817 -2.874 -2.387 578 HA GLN 107 HA GLN 107 4.403 -5.159 -4.221 579 HB2 GLN 107 2HB GLN 107 5.946 -4.759 -1.632 580 HB3 GLN 107 3HB GLN 107 6.206 -5.928 -2.910 581 HG2 GLN 107 2HG GLN 107 7.947 -4.473 -3.284 582 HG3 GLN 107 3HG GLN 107 6.749 -3.862 -4.420 583 HE21 GLN 107 1HE2 GLN 107 6.724 -1.578 -4.366 584 HE22 GLN 107 2HE2 GLN 107 6.922 -0.657 -2.871 585 H ALA 108 H ALA 108 3.277 -7.007 -3.646 586 HA ALA 108 HA ALA 108 1.919 -7.016 -0.976 587 HB1 ALA 108 1HB ALA 108 0.359 -6.553 -2.802 588 HB2 ALA 108 2HB ALA 108 0.859 -8.057 -3.614 589 HB3 ALA 108 3HB ALA 108 0.030 -8.120 -2.034 590 H ARG 109 H ARG 109 2.136 -8.768 0.310 591 HA ARG 109 HA ARG 109 3.266 -11.326 -0.761 592 HB2 ARG 109 2HB ARG 109 4.512 -9.515 1.328 593 HB3 ARG 109 3HB ARG 109 4.878 -11.211 1.277 594 HG2 ARG 109 2HG ARG 109 6.609 -10.549 0.026 595 HG3 ARG 109 3HG ARG 109 5.444 -10.692 -1.289 596 HD2 ARG 109 2HD ARG 109 5.047 -8.181 -1.040 597 HD3 ARG 109 3HD ARG 109 6.290 -8.174 0.206 598 HE ARG 109 HE ARG 109 7.954 -8.400 -1.409 599 HH11 ARG 109 1HH1 ARG 109 4.931 -9.121 -3.097 600 HH12 ARG 109 2HH1 ARG 109 5.577 -8.548 -4.604 601 HH21 ARG 109 1HH2 ARG 109 8.746 -8.001 -3.304 602 HH22 ARG 109 2HH2 ARG 109 7.809 -8.217 -4.791 603 H THR 110 H THR 110 3.570 -12.965 0.965 604 HA THR 110 HA THR 110 1.232 -13.019 2.809 605 HB THR 110 HB THR 110 1.450 -15.514 2.574 606 HG1 THR 110 1HG THR 110 2.652 -15.255 0.103 607 HG21 THR 110 1HG2 THR 110 -0.279 -14.223 1.414 608 HG22 THR 110 2HG2 THR 110 0.307 -15.561 0.414 609 HG23 THR 110 3HG2 THR 110 0.836 -13.896 0.070 610 HA PRO 111 HA PRO 111 3.701 -12.790 6.129 611 HB2 PRO 111 2HB PRO 111 2.822 -14.552 8.067 612 HB3 PRO 111 3HB PRO 111 2.022 -13.035 7.547 613 HG2 PRO 111 2HG PRO 111 1.433 -15.852 6.602 614 HG3 PRO 111 3HG PRO 111 0.269 -14.583 7.122 615 HD2 PRO 111 2HD PRO 111 0.752 -15.016 4.508 616 HD3 PRO 111 3HD PRO 111 0.600 -13.346 5.125 617 H ALA 112 H ALA 112 3.619 -16.426 5.575 618 HA ALA 112 HA ALA 112 5.991 -16.788 7.112 619 HB1 ALA 112 1HB ALA 112 5.986 -19.041 6.186 620 HB2 ALA 112 2HB ALA 112 4.304 -18.565 6.492 621 HB3 ALA 112 3HB ALA 112 4.944 -18.550 4.839 622 H GLN 113 H GLN 113 5.671 -15.982 3.635 623 HA GLN 113 HA GLN 113 8.588 -16.194 3.255 624 HB2 GLN 113 2HB GLN 113 8.218 -15.448 1.007 625 HB3 GLN 113 3HB GLN 113 7.104 -16.740 1.435 626 HG2 GLN 113 2HG GLN 113 5.486 -15.440 0.626 627 HG3 GLN 113 3HG GLN 113 5.640 -14.523 2.116 628 HE21 GLN 113 1HE2 GLN 113 5.547 -14.188 -1.156 629 HE22 GLN 113 2HE2 GLN 113 6.518 -12.708 -1.333 630 H TRP 114 H TRP 114 6.292 -13.473 4.009 631 HA TRP 114 HA TRP 114 8.332 -11.441 4.175 632 HB2 TRP 114 2HB TRP 114 6.043 -10.851 4.342 633 HB3 TRP 114 3HB TRP 114 5.783 -11.848 5.754 634 HD1 TRP 114 HD1 TRP 114 6.658 -11.098 8.075 635 HE1 TRP 114 HE1 TRP 114 7.510 -8.895 9.028 636 HE3 TRP 114 HE3 TRP 114 7.346 -8.596 3.685 637 HZ2 TRP 114 HZ2 TRP 114 8.087 -6.219 8.006 638 HZ3 TRP 114 HZ3 TRP 114 8.023 -6.193 3.690 639 HH2 TRP 114 HH2 TRP 114 8.348 -4.997 5.837 640 H ARG 115 H ARG 115 7.438 -14.009 6.468 641 HA ARG 115 HA ARG 115 9.184 -13.186 8.616 642 HB2 ARG 115 2HB ARG 115 8.504 -16.086 7.932 643 HB3 ARG 115 3HB ARG 115 9.191 -15.495 9.430 644 HG2 ARG 115 2HG ARG 115 7.054 -14.179 9.817 645 HG3 ARG 115 3HG ARG 115 6.401 -14.942 8.405 646 HD2 ARG 115 2HD ARG 115 5.532 -16.222 10.096 647 HD3 ARG 115 3HD ARG 115 6.854 -17.196 9.463 648 HE ARG 115 HE ARG 115 8.196 -16.672 11.401 649 HH11 ARG 115 1HH1 ARG 115 4.855 -15.570 11.838 650 HH12 ARG 115 2HH1 ARG 115 5.107 -15.333 13.542 651 HH21 ARG 115 1HH2 ARG 115 8.391 -16.418 13.492 652 HH22 ARG 115 2HH2 ARG 115 7.074 -15.815 14.487 653 H GLU 116 H GLU 116 9.755 -15.388 5.932 654 HA GLU 116 HA GLU 116 12.459 -15.994 6.496 655 HB2 GLU 116 2HB GLU 116 10.871 -17.318 5.117 656 HB3 GLU 116 3HB GLU 116 10.979 -16.113 3.835 657 HG2 GLU 116 2HG GLU 116 13.373 -16.591 3.543 658 HG3 GLU 116 3HG GLU 116 13.342 -17.702 4.921 659 H ASN 117 H ASN 117 11.275 -13.776 3.868 660 HA ASN 117 HA ASN 117 13.639 -12.058 4.320 661 HB2 ASN 117 2HB ASN 117 14.402 -13.900 2.802 662 HB3 ASN 117 3HB ASN 117 13.195 -13.409 1.626 663 HD21 ASN 117 1HD2 ASN 117 13.545 -11.346 0.465 664 HD22 ASN 117 2HD2 ASN 117 15.155 -10.639 0.494 665 H SER 118 H SER 118 10.413 -12.341 3.189 666 HA SER 118 HA SER 118 8.994 -11.198 1.891 667 HB2 SER 118 2HB SER 118 9.668 -9.108 3.128 668 HB3 SER 118 3HB SER 118 10.789 -8.785 1.793 669 HG SER 118 HG SER 118 9.011 -7.831 1.103 Start of MODEL 17 1 HA PRO 31 HA PRO 31 -0.977 12.470 5.937 2 HB2 PRO 31 2HB PRO 31 -0.144 10.036 7.559 3 HB3 PRO 31 3HB PRO 31 0.846 10.964 6.398 4 HG2 PRO 31 2HG PRO 31 1.119 11.466 9.017 5 HG3 PRO 31 3HG PRO 31 0.854 12.877 7.932 6 HD2 PRO 31 2HD PRO 31 -1.180 11.381 9.605 7 HD3 PRO 31 3HD PRO 31 -0.942 13.150 9.452 8 H VAL 32 H VAL 32 -1.268 11.227 4.121 9 HA VAL 32 HA VAL 32 -3.476 9.414 3.819 10 HB VAL 32 HB VAL 32 -2.480 8.838 1.632 11 HG11 VAL 32 1HG1 VAL 32 -2.702 11.029 0.622 12 HG12 VAL 32 2HG1 VAL 32 -3.896 10.838 1.921 13 HG13 VAL 32 3HG1 VAL 32 -2.434 11.820 2.180 14 HG21 VAL 32 1HG2 VAL 32 -0.477 9.999 0.803 15 HG22 VAL 32 2HG2 VAL 32 -0.181 10.693 2.402 16 HG23 VAL 32 3HG2 VAL 32 -0.059 8.940 2.151 17 H GLU 33 H GLU 33 -0.287 8.863 5.004 18 HA GLU 33 HA GLU 33 -0.192 6.023 4.347 19 HB2 GLU 33 2HB GLU 33 1.980 6.086 5.190 20 HB3 GLU 33 3HB GLU 33 1.716 7.701 4.523 21 HG2 GLU 33 2HG GLU 33 1.127 8.341 6.991 22 HG3 GLU 33 3HG GLU 33 1.982 6.828 7.335 23 H ALA 34 H ALA 34 -1.013 8.007 7.123 24 HA ALA 34 HA ALA 34 -1.738 5.859 8.949 25 HB1 ALA 34 1HB ALA 34 -2.509 7.590 10.324 26 HB2 ALA 34 2HB ALA 34 -0.956 8.079 9.655 27 HB3 ALA 34 3HB ALA 34 -2.444 8.787 8.989 28 H ALA 35 H ALA 35 -3.593 7.933 6.678 29 HA ALA 35 HA ALA 35 -6.133 6.737 7.124 30 HB1 ALA 35 1HB ALA 35 -4.973 7.716 4.474 31 HB2 ALA 35 2HB ALA 35 -6.685 7.555 4.897 32 HB3 ALA 35 3HB ALA 35 -5.683 8.768 5.717 33 H ILE 36 H ILE 36 -3.494 5.670 4.896 34 HA ILE 36 HA ILE 36 -4.812 3.261 4.139 35 HB ILE 36 HB ILE 36 -1.980 4.200 4.031 36 HG12 ILE 36 2HG1 ILE 36 -3.993 3.135 2.003 37 HG13 ILE 36 3HG1 ILE 36 -3.713 4.839 2.381 38 HG21 ILE 36 1HG2 ILE 36 -1.181 2.092 3.040 39 HG22 ILE 36 2HG2 ILE 36 -1.647 1.847 4.700 40 HG23 ILE 36 3HG2 ILE 36 -2.740 1.322 3.399 41 HD11 ILE 36 1HD1 ILE 36 -1.701 2.936 1.111 42 HD12 ILE 36 2HD1 ILE 36 -2.578 4.254 0.323 43 HD13 ILE 36 3HD1 ILE 36 -1.391 4.636 1.582 44 H ARG 37 H ARG 37 -2.424 3.675 6.854 45 HA ARG 37 HA ARG 37 -2.463 0.984 7.707 46 HB2 ARG 37 2HB ARG 37 -2.464 3.378 9.609 47 HB3 ARG 37 3HB ARG 37 -2.029 1.714 9.980 48 HG2 ARG 37 2HG ARG 37 -0.233 2.112 8.024 49 HG3 ARG 37 3HG ARG 37 -0.465 3.798 8.516 50 HD2 ARG 37 2HD ARG 37 0.021 3.153 10.887 51 HD3 ARG 37 3HD ARG 37 0.269 1.504 10.353 52 HE ARG 37 HE ARG 37 2.390 2.058 9.586 53 HH11 ARG 37 1HH1 ARG 37 0.808 5.152 10.342 54 HH12 ARG 37 2HH1 ARG 37 2.310 5.994 9.938 55 HH21 ARG 37 1HH2 ARG 37 4.152 3.247 9.322 56 HH22 ARG 37 2HH2 ARG 37 4.058 5.015 9.442 57 H THR 38 H THR 38 -4.702 3.510 8.951 58 HA THR 38 HA THR 38 -6.273 1.659 10.431 59 HB THR 38 HB THR 38 -7.148 4.339 9.294 60 HG1 THR 38 1HG THR 38 -6.627 4.913 11.513 61 HG21 THR 38 1HG2 THR 38 -9.074 3.043 10.167 62 HG22 THR 38 2HG2 THR 38 -8.677 4.380 11.250 63 HG23 THR 38 3HG2 THR 38 -8.188 2.726 11.673 64 H LYS 39 H LYS 39 -6.960 2.963 7.077 65 HA LYS 39 HA LYS 39 -9.389 1.429 6.949 66 HB2 LYS 39 2HB LYS 39 -8.976 3.547 5.703 67 HB3 LYS 39 3HB LYS 39 -7.796 2.704 4.697 68 HG2 LYS 39 2HG LYS 39 -9.912 2.978 3.535 69 HG3 LYS 39 3HG LYS 39 -9.540 1.278 3.752 70 HD2 LYS 39 2HD LYS 39 -11.181 2.231 5.987 71 HD3 LYS 39 3HD LYS 39 -11.935 2.699 4.479 72 HE2 LYS 39 2HE LYS 39 -10.947 -0.142 4.930 73 HE3 LYS 39 3HE LYS 39 -12.521 0.378 5.525 74 HZ1 LYS 39 1HZ LYS 39 -11.832 0.783 2.684 75 HZ2 LYS 39 2HZ LYS 39 -13.285 0.751 3.378 76 HZ3 LYS 39 3HZ LYS 39 -12.473 -0.662 3.233 77 H LEU 40 H LEU 40 -6.089 0.619 5.673 78 HA LEU 40 HA LEU 40 -7.081 -1.786 4.399 79 HB2 LEU 40 2HB LEU 40 -4.320 -0.767 5.112 80 HB3 LEU 40 3HB LEU 40 -4.570 -2.355 4.445 81 HG LEU 40 HG LEU 40 -3.888 -0.628 2.819 82 HD11 LEU 40 1HD1 LEU 40 -6.555 -1.960 2.206 83 HD12 LEU 40 2HD1 LEU 40 -4.945 -2.708 2.091 84 HD13 LEU 40 3HD1 LEU 40 -5.378 -1.376 1.014 85 HD21 LEU 40 1HD2 LEU 40 -5.223 1.306 3.465 86 HD22 LEU 40 2HD2 LEU 40 -6.711 0.471 2.950 87 HD23 LEU 40 3HD2 LEU 40 -5.451 0.893 1.776 88 H GLU 41 H GLU 41 -5.818 -1.085 7.716 89 HA GLU 41 HA GLU 41 -5.943 -3.878 8.456 90 HB2 GLU 41 2HB GLU 41 -5.793 -1.351 10.111 91 HB3 GLU 41 3HB GLU 41 -5.824 -2.982 10.797 92 HG2 GLU 41 2HG GLU 41 -3.847 -3.650 9.570 93 HG3 GLU 41 3HG GLU 41 -3.780 -2.133 8.681 94 H GLU 42 H GLU 42 -8.493 -1.349 8.511 95 HA GLU 42 HA GLU 42 -10.518 -3.133 9.429 96 HB2 GLU 42 2HB GLU 42 -10.291 -0.483 8.635 97 HB3 GLU 42 3HB GLU 42 -11.209 -1.137 7.306 98 HG2 GLU 42 2HG GLU 42 -11.987 -1.694 10.179 99 HG3 GLU 42 3HG GLU 42 -12.316 -0.118 9.487 100 H ALA 43 H ALA 43 -9.345 -2.505 6.094 101 HA ALA 43 HA ALA 43 -11.393 -3.952 4.820 102 HB1 ALA 43 1HB ALA 43 -10.101 -3.501 2.784 103 HB2 ALA 43 2HB ALA 43 -10.110 -2.078 3.838 104 HB3 ALA 43 3HB ALA 43 -8.665 -3.121 3.752 105 H LEU 44 H LEU 44 -7.987 -4.998 5.330 106 HA LEU 44 HA LEU 44 -8.833 -7.795 4.776 107 HB2 LEU 44 2HB LEU 44 -6.810 -8.296 3.622 108 HB3 LEU 44 3HB LEU 44 -7.858 -7.175 2.796 109 HG LEU 44 HG LEU 44 -6.033 -5.539 4.292 110 HD11 LEU 44 1HD1 LEU 44 -3.838 -6.294 3.503 111 HD12 LEU 44 2HD1 LEU 44 -4.569 -7.775 2.839 112 HD13 LEU 44 3HD1 LEU 44 -4.563 -7.497 4.588 113 HD21 LEU 44 1HD2 LEU 44 -5.306 -4.931 2.007 114 HD22 LEU 44 2HD2 LEU 44 -7.083 -5.085 2.164 115 HD23 LEU 44 3HD2 LEU 44 -6.152 -6.373 1.380 116 H SER 45 H SER 45 -7.278 -5.697 6.954 117 HA SER 45 HA SER 45 -6.204 -6.074 8.985 118 HB2 SER 45 2HB SER 45 -7.443 -8.788 8.896 119 HB3 SER 45 3HB SER 45 -6.987 -7.783 10.278 120 HG SER 45 HG SER 45 -8.457 -6.148 9.276 121 HA PRO 46 HA PRO 46 -2.507 -7.849 6.453 122 HB2 PRO 46 2HB PRO 46 -1.555 -5.655 8.326 123 HB3 PRO 46 3HB PRO 46 -0.867 -6.120 6.758 124 HG2 PRO 46 2HG PRO 46 -2.527 -4.023 6.978 125 HG3 PRO 46 3HG PRO 46 -2.712 -5.158 5.583 126 HD2 PRO 46 2HD PRO 46 -4.343 -4.929 8.069 127 HD3 PRO 46 3HD PRO 46 -4.852 -5.416 6.432 128 H GLU 47 H GLU 47 -0.478 -8.854 7.116 129 HA GLU 47 HA GLU 47 0.010 -9.167 9.998 130 HB2 GLU 47 2HB GLU 47 0.389 -10.928 7.856 131 HB3 GLU 47 3HB GLU 47 1.970 -10.199 8.061 132 HG2 GLU 47 2HG GLU 47 2.009 -12.011 9.392 133 HG3 GLU 47 3HG GLU 47 1.836 -10.691 10.534 134 H VAL 48 H VAL 48 1.427 -7.519 7.071 135 HA VAL 48 HA VAL 48 2.456 -5.657 9.157 136 HB VAL 48 HB VAL 48 4.418 -5.200 7.816 137 HG11 VAL 48 1HG1 VAL 48 4.545 -8.175 8.197 138 HG12 VAL 48 2HG1 VAL 48 5.809 -6.904 8.164 139 HG13 VAL 48 3HG1 VAL 48 4.658 -6.954 9.535 140 HG21 VAL 48 1HG2 VAL 48 3.221 -7.123 6.026 141 HG22 VAL 48 2HG2 VAL 48 4.141 -5.658 5.625 142 HG23 VAL 48 3HG2 VAL 48 5.004 -7.153 6.114 143 H LEU 49 H LEU 49 2.778 -3.602 8.445 144 HA LEU 49 HA LEU 49 3.074 -3.404 5.775 145 HB2 LEU 49 2HB LEU 49 1.657 -1.198 5.358 146 HB3 LEU 49 3HB LEU 49 1.081 -2.812 5.018 147 HG LEU 49 HG LEU 49 -0.179 -2.805 7.214 148 HD11 LEU 49 1HD1 LEU 49 0.570 0.145 7.176 149 HD12 LEU 49 2HD1 LEU 49 1.021 -1.053 8.409 150 HD13 LEU 49 3HD1 LEU 49 -0.673 -0.599 8.225 151 HD21 LEU 49 1HD2 LEU 49 -1.241 -2.432 5.093 152 HD22 LEU 49 2HD2 LEU 49 -0.849 -0.684 5.138 153 HD23 LEU 49 3HD2 LEU 49 -1.972 -1.389 6.328 154 H GLU 50 H GLU 50 4.772 -2.457 5.384 155 HA GLU 50 HA GLU 50 5.760 -0.228 7.125 156 HB2 GLU 50 2HB GLU 50 7.459 -2.107 5.512 157 HB3 GLU 50 3HB GLU 50 7.995 -0.835 6.584 158 HG2 GLU 50 2HG GLU 50 6.316 -2.311 8.215 159 HG3 GLU 50 3HG GLU 50 7.073 -3.583 7.253 160 H LEU 51 H LEU 51 5.769 1.585 6.175 161 HA LEU 51 HA LEU 51 5.706 1.854 3.227 162 HB2 LEU 51 2HB LEU 51 3.507 2.365 2.949 163 HB3 LEU 51 3HB LEU 51 3.433 1.049 4.115 164 HG LEU 51 HG LEU 51 3.209 3.986 4.646 165 HD11 LEU 51 1HD1 LEU 51 1.060 1.833 4.909 166 HD12 LEU 51 2HD1 LEU 51 1.206 2.942 3.534 167 HD13 LEU 51 3HD1 LEU 51 0.846 3.585 5.140 168 HD21 LEU 51 1HD2 LEU 51 2.904 1.638 6.570 169 HD22 LEU 51 2HD2 LEU 51 2.416 3.313 6.947 170 HD23 LEU 51 3HD2 LEU 51 4.116 2.933 6.655 171 H ARG 52 H ARG 52 5.545 4.038 2.365 172 HA ARG 52 HA ARG 52 6.656 6.155 4.126 173 HB2 ARG 52 2HB ARG 52 8.519 4.647 3.885 174 HB3 ARG 52 3HB ARG 52 8.261 4.503 2.139 175 HG2 ARG 52 2HG ARG 52 8.880 6.823 1.800 176 HG3 ARG 52 3HG ARG 52 9.019 7.098 3.550 177 HD2 ARG 52 2HD ARG 52 10.912 5.680 3.720 178 HD3 ARG 52 3HD ARG 52 10.651 4.957 2.146 179 HE ARG 52 HE ARG 52 12.026 7.483 2.680 180 HH11 ARG 52 1HH1 ARG 52 10.443 5.642 0.139 181 HH12 ARG 52 2HH1 ARG 52 11.024 6.723 -1.099 182 HH21 ARG 52 1HH2 ARG 52 12.749 8.711 1.060 183 HH22 ARG 52 2HH2 ARG 52 12.194 8.449 -0.609 184 H ASN 53 H ASN 53 6.371 8.166 3.239 185 HA ASN 53 HA ASN 53 5.647 8.341 0.396 186 HB2 ASN 53 2HB ASN 53 4.720 10.342 0.757 187 HB3 ASN 53 3HB ASN 53 4.364 9.438 2.211 188 HD21 ASN 53 1HD2 ASN 53 3.803 11.407 3.175 189 HD22 ASN 53 2HD2 ASN 53 4.989 12.668 3.546 190 H GLU 54 H GLU 54 6.661 9.265 -1.188 191 HA GLU 54 HA GLU 54 9.635 9.448 -0.983 192 HB2 GLU 54 2HB GLU 54 8.396 7.765 -2.459 193 HB3 GLU 54 3HB GLU 54 7.801 9.122 -3.397 194 HG2 GLU 54 2HG GLU 54 9.623 8.189 -4.592 195 HG3 GLU 54 3HG GLU 54 10.214 9.713 -3.942 196 H SER 55 H SER 55 6.837 11.329 -1.507 197 HA SER 55 HA SER 55 7.335 13.187 -3.366 198 HB2 SER 55 2HB SER 55 5.555 14.471 -2.130 199 HB3 SER 55 3HB SER 55 5.298 12.754 -2.563 200 HG SER 55 HG SER 55 5.863 13.741 0.033 201 H GLY 56 H GLY 56 8.878 13.428 -0.174 202 HA2 GLY 56 2HA GLY 56 9.571 16.233 -0.400 203 HA3 GLY 56 3HA GLY 56 10.386 15.015 0.583 204 H GLY 57 H GLY 57 10.642 13.515 -2.206 205 HA2 GLY 57 2HA GLY 57 13.243 14.484 -3.051 206 HA3 GLY 57 3HA GLY 57 12.235 13.281 -3.851 207 H HIS 58 H HIS 58 10.152 15.819 -3.614 208 HA HIS 58 HA HIS 58 10.809 16.747 -6.374 209 HB2 HIS 58 2HB HIS 58 8.146 15.913 -5.151 210 HB3 HIS 58 3HB HIS 58 8.344 16.498 -6.781 211 HD1 HIS 58 1HD HIS 58 10.072 14.854 -8.407 212 HD2 HIS 58 2HD HIS 58 8.809 13.343 -4.698 213 HE1 HIS 58 1HE HIS 58 10.561 12.374 -8.431 214 H ALA 59 H ALA 59 9.672 18.751 -7.063 215 HA ALA 59 HA ALA 59 10.384 20.780 -5.097 216 HB1 ALA 59 1HB ALA 59 10.400 22.276 -7.016 217 HB2 ALA 59 2HB ALA 59 11.290 20.789 -7.369 218 HB3 ALA 59 3HB ALA 59 9.657 21.014 -8.032 219 H VAL 60 H VAL 60 8.126 19.579 -4.240 220 HA VAL 60 HA VAL 60 5.699 20.958 -5.115 221 HB VAL 60 HB VAL 60 4.542 19.183 -3.856 222 HG11 VAL 60 1HG1 VAL 60 5.212 18.764 -6.175 223 HG12 VAL 60 2HG1 VAL 60 6.756 18.083 -5.623 224 HG13 VAL 60 3HG1 VAL 60 5.236 17.283 -5.205 225 HG21 VAL 60 1HG2 VAL 60 5.719 17.342 -2.804 226 HG22 VAL 60 2HG2 VAL 60 7.285 18.100 -3.109 227 HG23 VAL 60 3HG2 VAL 60 6.137 18.851 -1.985 228 HA PRO 61 HA PRO 61 5.084 23.657 -1.681 229 HB2 PRO 61 2HB PRO 61 2.322 22.544 -1.243 230 HB3 PRO 61 3HB PRO 61 2.827 24.240 -1.487 231 HG2 PRO 61 2HG PRO 61 1.643 22.813 -3.485 232 HG3 PRO 61 3HG PRO 61 2.987 23.942 -3.829 233 HD2 PRO 61 2HD PRO 61 3.077 20.940 -3.574 234 HD3 PRO 61 3HD PRO 61 3.891 22.013 -4.749 235 HA PRO 62 HA PRO 62 5.901 21.344 2.057 236 HB2 PRO 62 2HB PRO 62 5.110 23.042 4.081 237 HB3 PRO 62 3HB PRO 62 6.604 23.246 3.118 238 HG2 PRO 62 2HG PRO 62 3.912 24.571 2.690 239 HG3 PRO 62 3HG PRO 62 5.529 25.341 2.723 240 HD2 PRO 62 2HD PRO 62 4.319 24.700 0.384 241 HD3 PRO 62 3HD PRO 62 6.082 24.464 0.583 242 H GLY 63 H GLY 63 4.918 19.871 3.347 243 HA2 GLY 63 2HA GLY 63 3.273 18.628 4.366 244 HA3 GLY 63 3HA GLY 63 2.089 19.893 4.041 245 H SER 64 H SER 64 3.564 19.187 1.064 246 HA SER 64 HA SER 64 1.197 17.823 0.128 247 HB2 SER 64 2HB SER 64 3.788 18.376 -1.351 248 HB3 SER 64 3HB SER 64 2.258 17.823 -2.062 249 HG SER 64 HG SER 64 2.956 20.270 -0.927 250 H GLU 65 H GLU 65 0.873 15.831 -0.206 251 HA GLU 65 HA GLU 65 3.048 13.763 0.019 252 HB2 GLU 65 2HB GLU 65 0.174 13.622 0.994 253 HB3 GLU 65 3HB GLU 65 1.335 12.294 1.041 254 HG2 GLU 65 2HG GLU 65 2.714 13.472 2.645 255 HG3 GLU 65 3HG GLU 65 1.794 14.958 2.462 256 H THR 66 H THR 66 3.179 14.363 -2.389 257 HA THR 66 HA THR 66 0.944 13.666 -4.122 258 HB THR 66 HB THR 66 2.568 14.148 -5.946 259 HG1 THR 66 1HG THR 66 4.617 14.649 -5.509 260 HG21 THR 66 1HG2 THR 66 1.409 16.119 -4.947 261 HG22 THR 66 2HG2 THR 66 3.042 16.489 -5.544 262 HG23 THR 66 3HG2 THR 66 2.766 16.306 -3.805 263 H HIS 67 H HIS 67 3.620 11.961 -2.765 264 HA HIS 67 HA HIS 67 3.719 9.959 -4.975 265 HB2 HIS 67 2HB HIS 67 5.421 12.156 -4.462 266 HB3 HIS 67 3HB HIS 67 6.274 10.797 -3.838 267 HD1 HIS 67 1HD HIS 67 7.960 10.322 -5.977 268 HD2 HIS 67 2HD HIS 67 4.103 11.672 -6.841 269 HE1 HIS 67 1HE HIS 67 7.861 10.508 -8.500 270 H PHE 68 H PHE 68 3.598 7.898 -4.157 271 HA PHE 68 HA PHE 68 4.418 7.509 -1.326 272 HB2 PHE 68 2HB PHE 68 2.005 8.224 -1.714 273 HB3 PHE 68 3HB PHE 68 1.679 6.707 -2.466 274 HD1 PHE 68 1HD PHE 68 0.995 4.904 -1.038 275 HD2 PHE 68 2HD PHE 68 3.186 8.219 0.628 276 HE1 PHE 68 1HE PHE 68 0.728 3.962 1.243 277 HE2 PHE 68 2HE PHE 68 2.983 7.215 2.912 278 HZ PHE 68 HZ PHE 68 1.740 5.101 3.189 279 H ARG 69 H ARG 69 4.671 5.430 -0.434 280 HA ARG 69 HA ARG 69 5.006 3.153 -2.318 281 HB2 ARG 69 2HB ARG 69 7.169 4.395 -2.050 282 HB3 ARG 69 3HB ARG 69 7.069 4.144 -0.316 283 HG2 ARG 69 2HG ARG 69 8.593 2.574 -1.114 284 HG3 ARG 69 3HG ARG 69 7.164 1.646 -0.712 285 HD2 ARG 69 2HD ARG 69 6.606 1.387 -3.082 286 HD3 ARG 69 3HD ARG 69 7.808 2.586 -3.543 287 HE ARG 69 HE ARG 69 8.326 -0.206 -2.706 288 HH11 ARG 69 1HH1 ARG 69 9.843 2.888 -3.489 289 HH12 ARG 69 2HH1 ARG 69 11.361 2.116 -3.857 290 HH21 ARG 69 1HH2 ARG 69 10.348 -1.063 -2.999 291 HH22 ARG 69 2HH2 ARG 69 11.688 0.015 -3.359 292 H VAL 70 H VAL 70 4.398 1.220 -1.458 293 HA VAL 70 HA VAL 70 4.235 0.933 1.514 294 HB VAL 70 HB VAL 70 2.216 -0.317 -0.376 295 HG11 VAL 70 1HG1 VAL 70 2.392 -1.690 1.548 296 HG12 VAL 70 2HG1 VAL 70 2.504 -0.336 2.662 297 HG13 VAL 70 3HG1 VAL 70 0.970 -0.701 1.839 298 HG21 VAL 70 1HG2 VAL 70 1.776 2.097 -0.295 299 HG22 VAL 70 2HG2 VAL 70 0.536 1.210 0.594 300 HG23 VAL 70 3HG2 VAL 70 1.830 2.044 1.480 301 H ALA 71 H ALA 71 4.969 -0.855 2.376 302 HA ALA 71 HA ALA 71 4.942 -3.301 0.656 303 HB1 ALA 71 1HB ALA 71 7.367 -2.770 1.272 304 HB2 ALA 71 2HB ALA 71 6.894 -2.802 2.989 305 HB3 ALA 71 3HB ALA 71 6.787 -4.276 2.006 306 H VAL 72 H VAL 72 3.658 -4.758 1.124 307 HA VAL 72 HA VAL 72 2.361 -4.777 3.761 308 HB VAL 72 HB VAL 72 1.034 -3.386 2.333 309 HG11 VAL 72 1HG1 VAL 72 1.691 -3.681 0.134 310 HG12 VAL 72 2HG1 VAL 72 1.315 -5.402 0.167 311 HG13 VAL 72 3HG1 VAL 72 0.004 -4.194 0.214 312 HG21 VAL 72 1HG2 VAL 72 -0.039 -6.108 2.491 313 HG22 VAL 72 2HG2 VAL 72 -0.021 -4.866 3.756 314 HG23 VAL 72 3HG2 VAL 72 -0.984 -4.606 2.265 315 H VAL 73 H VAL 73 1.750 -6.674 4.443 316 HA VAL 73 HA VAL 73 2.071 -9.066 2.750 317 HB VAL 73 HB VAL 73 4.033 -8.255 4.531 318 HG11 VAL 73 1HG1 VAL 73 2.914 -9.220 6.435 319 HG12 VAL 73 2HG1 VAL 73 2.851 -10.811 5.619 320 HG13 VAL 73 3HG1 VAL 73 4.392 -10.039 6.080 321 HG21 VAL 73 1HG2 VAL 73 3.909 -10.936 3.295 322 HG22 VAL 73 2HG2 VAL 73 4.129 -9.413 2.385 323 HG23 VAL 73 3HG2 VAL 73 5.308 -9.871 3.572 324 H SER 74 H SER 74 0.560 -10.456 2.975 325 HA SER 74 HA SER 74 -1.082 -10.733 5.408 326 HB2 SER 74 2HB SER 74 -2.088 -8.737 4.420 327 HB3 SER 74 3HB SER 74 -2.146 -9.513 2.823 328 HG SER 74 HG SER 74 -3.556 -10.304 5.176 329 H SER 75 H SER 75 -2.143 -12.689 5.460 330 HA SER 75 HA SER 75 -1.552 -14.807 3.660 331 HB2 SER 75 2HB SER 75 -4.042 -14.563 5.366 332 HB3 SER 75 3HB SER 75 -3.233 -16.046 4.839 333 HG SER 75 HG SER 75 -2.698 -15.612 6.968 334 H ARG 76 H ARG 76 -3.953 -12.289 3.424 335 HA ARG 76 HA ARG 76 -5.789 -13.571 1.629 336 HB2 ARG 76 2HB ARG 76 -6.110 -11.516 3.067 337 HB3 ARG 76 3HB ARG 76 -5.271 -10.591 1.806 338 HG2 ARG 76 2HG ARG 76 -6.958 -11.179 0.166 339 HG3 ARG 76 3HG ARG 76 -7.617 -12.452 1.209 340 HD2 ARG 76 2HD ARG 76 -8.261 -10.700 2.862 341 HD3 ARG 76 3HD ARG 76 -7.758 -9.465 1.688 342 HE ARG 76 HE ARG 76 -9.571 -9.996 0.298 343 HH11 ARG 76 1HH1 ARG 76 -9.668 -12.218 3.097 344 HH12 ARG 76 2HH1 ARG 76 -11.098 -12.991 2.436 345 HH21 ARG 76 1HH2 ARG 76 -11.295 -11.166 -0.394 346 HH22 ARG 76 2HH2 ARG 76 -12.038 -12.356 0.668 347 H PHE 77 H PHE 77 -2.568 -12.314 1.025 348 HA PHE 77 HA PHE 77 -3.056 -11.851 -1.831 349 HB2 PHE 77 2HB PHE 77 -0.546 -11.636 -0.158 350 HB3 PHE 77 3HB PHE 77 -0.750 -11.079 -1.794 351 HD1 PHE 77 1HD PHE 77 -3.795 -9.972 -0.488 352 HD2 PHE 77 2HD PHE 77 0.439 -9.242 -0.121 353 HE1 PHE 77 1HE PHE 77 -4.254 -7.713 0.345 354 HE2 PHE 77 2HE PHE 77 -0.034 -6.917 0.649 355 HZ PHE 77 HZ PHE 77 -2.401 -6.179 0.935 356 H GLU 78 H GLU 78 -2.892 -14.696 -0.286 357 HA GLU 78 HA GLU 78 -0.803 -15.942 -1.805 358 HB2 GLU 78 2HB GLU 78 -1.108 -17.784 -0.471 359 HB3 GLU 78 3HB GLU 78 -1.537 -16.467 0.606 360 HG2 GLU 78 2HG GLU 78 -3.977 -16.915 0.032 361 HG3 GLU 78 3HG GLU 78 -3.449 -18.336 -0.874 362 H GLY 79 H GLY 79 -0.870 -17.575 -3.279 363 HA2 GLY 79 2HA GLY 79 -1.595 -19.306 -4.525 364 HA3 GLY 79 3HA GLY 79 -3.223 -19.067 -3.893 365 H LEU 80 H LEU 80 -3.468 -16.359 -4.880 366 HA LEU 80 HA LEU 80 -3.998 -16.619 -7.732 367 HB2 LEU 80 2HB LEU 80 -4.401 -14.108 -7.383 368 HB3 LEU 80 3HB LEU 80 -5.503 -15.250 -6.667 369 HG LEU 80 HG LEU 80 -4.625 -14.784 -4.586 370 HD11 LEU 80 1HD1 LEU 80 -2.252 -14.431 -4.818 371 HD12 LEU 80 2HD1 LEU 80 -2.918 -12.951 -4.151 372 HD13 LEU 80 3HD1 LEU 80 -2.518 -13.037 -5.881 373 HD21 LEU 80 1HD2 LEU 80 -6.303 -13.257 -5.380 374 HD22 LEU 80 2HD2 LEU 80 -5.045 -12.185 -6.038 375 HD23 LEU 80 3HD2 LEU 80 -5.191 -12.439 -4.276 376 H SER 81 H SER 81 -3.012 -15.108 -9.288 377 HA SER 81 HA SER 81 -0.120 -14.994 -9.188 378 HB2 SER 81 2HB SER 81 -1.195 -15.161 -11.321 379 HB3 SER 81 3HB SER 81 -2.209 -13.762 -10.999 380 HG SER 81 HG SER 81 -0.650 -13.059 -12.278 381 HA PRO 82 HA PRO 82 0.251 -11.260 -6.724 382 HB2 PRO 82 2HB PRO 82 2.599 -10.630 -8.507 383 HB3 PRO 82 3HB PRO 82 2.491 -10.569 -6.721 384 HG2 PRO 82 2HG PRO 82 3.713 -12.655 -7.941 385 HG3 PRO 82 3HG PRO 82 2.596 -12.962 -6.573 386 HD2 PRO 82 2HD PRO 82 2.039 -13.193 -9.537 387 HD3 PRO 82 3HD PRO 82 1.614 -14.318 -8.207 388 H LEU 83 H LEU 83 0.566 -10.962 -10.266 389 HA LEU 83 HA LEU 83 -0.113 -8.192 -10.538 390 HB2 LEU 83 2HB LEU 83 -0.308 -10.577 -12.430 391 HB3 LEU 83 3HB LEU 83 -0.701 -8.928 -12.894 392 HG LEU 83 HG LEU 83 1.621 -8.208 -12.398 393 HD11 LEU 83 1HD1 LEU 83 2.450 -9.887 -10.827 394 HD12 LEU 83 2HD1 LEU 83 3.398 -9.979 -12.296 395 HD13 LEU 83 3HD1 LEU 83 2.144 -11.197 -12.002 396 HD21 LEU 83 1HD2 LEU 83 1.379 -10.559 -14.319 397 HD22 LEU 83 2HD2 LEU 83 2.582 -9.254 -14.375 398 HD23 LEU 83 3HD2 LEU 83 0.872 -8.892 -14.664 399 H GLN 84 H GLN 84 -2.068 -11.151 -10.643 400 HA GLN 84 HA GLN 84 -4.630 -10.010 -11.150 401 HB2 GLN 84 2HB GLN 84 -4.242 -12.310 -11.517 402 HB3 GLN 84 3HB GLN 84 -3.604 -12.565 -9.904 403 HG2 GLN 84 2HG GLN 84 -5.812 -12.365 -8.903 404 HG3 GLN 84 3HG GLN 84 -6.523 -12.098 -10.501 405 HE21 GLN 84 1HE2 GLN 84 -7.071 -14.409 -8.597 406 HE22 GLN 84 2HE2 GLN 84 -6.865 -15.718 -9.721 407 H ARG 85 H ARG 85 -2.939 -10.741 -8.095 408 HA ARG 85 HA ARG 85 -4.839 -9.649 -6.239 409 HB2 ARG 85 2HB ARG 85 -3.287 -10.834 -5.092 410 HB3 ARG 85 3HB ARG 85 -2.044 -10.615 -6.302 411 HG2 ARG 85 2HG ARG 85 -1.173 -9.695 -4.338 412 HG3 ARG 85 3HG ARG 85 -1.598 -8.331 -5.374 413 HD2 ARG 85 2HD ARG 85 -3.825 -8.219 -4.073 414 HD3 ARG 85 3HD ARG 85 -3.213 -9.493 -3.041 415 HE ARG 85 HE ARG 85 -2.059 -7.931 -1.855 416 HH11 ARG 85 1HH1 ARG 85 -3.019 -6.380 -4.838 417 HH12 ARG 85 2HH1 ARG 85 -2.225 -4.879 -4.441 418 HH21 ARG 85 1HH2 ARG 85 -1.296 -5.961 -1.302 419 HH22 ARG 85 2HH2 ARG 85 -1.377 -4.612 -2.417 420 H HIS 86 H HIS 86 -2.051 -8.070 -7.834 421 HA HIS 86 HA HIS 86 -2.368 -5.483 -6.710 422 HB2 HIS 86 2HB HIS 86 -0.973 -6.807 -8.907 423 HB3 HIS 86 3HB HIS 86 -1.215 -5.054 -9.142 424 HD1 HIS 86 1HD HIS 86 1.125 -4.084 -8.579 425 HD2 HIS 86 2HD HIS 86 -0.069 -7.230 -6.060 426 HE1 HIS 86 1HE HIS 86 3.015 -4.430 -6.899 427 H ARG 87 H ARG 87 -3.561 -6.567 -9.951 428 HA ARG 87 HA ARG 87 -5.236 -4.367 -10.514 429 HB2 ARG 87 2HB ARG 87 -4.670 -6.061 -12.148 430 HB3 ARG 87 3HB ARG 87 -5.485 -7.316 -11.220 431 HG2 ARG 87 2HG ARG 87 -7.674 -6.251 -11.649 432 HG3 ARG 87 3HG ARG 87 -6.880 -4.932 -12.531 433 HD2 ARG 87 2HD ARG 87 -6.092 -6.466 -14.238 434 HD3 ARG 87 3HD ARG 87 -6.633 -7.869 -13.323 435 HE ARG 87 HE ARG 87 -8.244 -6.153 -15.041 436 HH11 ARG 87 1HH1 ARG 87 -8.477 -8.515 -12.440 437 HH12 ARG 87 2HH1 ARG 87 -10.166 -8.823 -12.776 438 HH21 ARG 87 1HH2 ARG 87 -10.369 -6.561 -15.359 439 HH22 ARG 87 2HH2 ARG 87 -11.234 -7.693 -14.336 440 H LEU 88 H LEU 88 -6.135 -7.300 -8.637 441 HA LEU 88 HA LEU 88 -8.828 -6.652 -8.153 442 HB2 LEU 88 2HB LEU 88 -7.570 -8.778 -7.668 443 HB3 LEU 88 3HB LEU 88 -6.947 -8.062 -6.203 444 HG LEU 88 HG LEU 88 -9.921 -8.421 -6.799 445 HD11 LEU 88 1HD1 LEU 88 -8.750 -10.598 -6.764 446 HD12 LEU 88 2HD1 LEU 88 -9.793 -10.410 -5.353 447 HD13 LEU 88 3HD1 LEU 88 -8.038 -10.199 -5.181 448 HD21 LEU 88 1HD2 LEU 88 -8.404 -7.850 -4.205 449 HD22 LEU 88 2HD2 LEU 88 -10.111 -8.327 -4.295 450 HD23 LEU 88 3HD2 LEU 88 -9.614 -6.803 -4.999 451 H VAL 89 H VAL 89 -6.075 -5.969 -5.956 452 HA VAL 89 HA VAL 89 -7.645 -4.366 -4.144 453 HB VAL 89 HB VAL 89 -4.648 -4.483 -4.584 454 HG11 VAL 89 1HG1 VAL 89 -5.136 -2.389 -3.374 455 HG12 VAL 89 2HG1 VAL 89 -6.121 -3.285 -2.203 456 HG13 VAL 89 3HG1 VAL 89 -4.375 -3.570 -2.308 457 HG21 VAL 89 1HG2 VAL 89 -4.748 -5.887 -2.498 458 HG22 VAL 89 2HG2 VAL 89 -6.511 -5.775 -2.536 459 HG23 VAL 89 3HG2 VAL 89 -5.650 -6.612 -3.836 460 H HIS 90 H HIS 90 -5.781 -3.396 -6.957 461 HA HIS 90 HA HIS 90 -6.065 -0.550 -6.593 462 HB2 HIS 90 2HB HIS 90 -5.478 -2.178 -9.091 463 HB3 HIS 90 3HB HIS 90 -5.373 -0.426 -8.974 464 HD1 HIS 90 1HD HIS 90 -2.772 -0.775 -9.721 465 HD2 HIS 90 2HD HIS 90 -3.875 -2.199 -5.913 466 HE1 HIS 90 1HE HIS 90 -0.619 -1.451 -8.540 467 H ALA 91 H ALA 91 -8.164 -2.978 -8.207 468 HA ALA 91 HA ALA 91 -10.028 -0.899 -9.133 469 HB1 ALA 91 1HB ALA 91 -11.383 -2.837 -9.809 470 HB2 ALA 91 2HB ALA 91 -9.707 -3.001 -10.368 471 HB3 ALA 91 3HB ALA 91 -10.265 -3.931 -8.962 472 H ALA 92 H ALA 92 -9.911 -3.256 -6.431 473 HA ALA 92 HA ALA 92 -12.492 -2.515 -5.375 474 HB1 ALA 92 1HB ALA 92 -11.529 -4.770 -5.157 475 HB2 ALA 92 2HB ALA 92 -10.205 -4.122 -4.160 476 HB3 ALA 92 3HB ALA 92 -11.876 -4.062 -3.569 477 H LEU 93 H LEU 93 -9.097 -1.590 -4.464 478 HA LEU 93 HA LEU 93 -10.304 0.192 -2.345 479 HB2 LEU 93 2HB LEU 93 -7.530 -1.043 -2.526 480 HB3 LEU 93 3HB LEU 93 -7.944 0.195 -1.421 481 HG LEU 93 HG LEU 93 -7.884 -1.762 -0.229 482 HD11 LEU 93 1HD1 LEU 93 -10.809 -0.997 -0.539 483 HD12 LEU 93 2HD1 LEU 93 -9.625 -0.127 0.463 484 HD13 LEU 93 3HD1 LEU 93 -10.068 -1.804 0.847 485 HD21 LEU 93 1HD2 LEU 93 -9.147 -3.697 -0.673 486 HD22 LEU 93 2HD2 LEU 93 -8.421 -3.166 -2.218 487 HD23 LEU 93 3HD2 LEU 93 -10.138 -2.853 -1.886 488 H ALA 94 H ALA 94 -10.088 0.882 -5.278 489 HA ALA 94 HA ALA 94 -7.816 2.154 -5.927 490 HB1 ALA 94 1HB ALA 94 -9.871 1.701 -7.407 491 HB2 ALA 94 2HB ALA 94 -10.573 3.193 -6.772 492 HB3 ALA 94 3HB ALA 94 -9.073 3.256 -7.714 493 H GLU 95 H GLU 95 -10.548 4.096 -4.600 494 HA GLU 95 HA GLU 95 -8.860 6.456 -4.475 495 HB2 GLU 95 2HB GLU 95 -11.642 5.929 -3.370 496 HB3 GLU 95 3HB GLU 95 -10.800 7.487 -3.314 497 HG2 GLU 95 2HG GLU 95 -10.535 7.345 -5.836 498 HG3 GLU 95 3HG GLU 95 -11.625 5.954 -5.811 499 H GLU 96 H GLU 96 -9.168 3.743 -2.344 500 HA GLU 96 HA GLU 96 -8.745 5.127 0.137 501 HB2 GLU 96 2HB GLU 96 -8.996 2.186 -0.668 502 HB3 GLU 96 3HB GLU 96 -9.161 2.923 0.877 503 HG2 GLU 96 2HG GLU 96 -11.152 4.257 -0.092 504 HG3 GLU 96 3HG GLU 96 -11.067 3.146 -1.456 505 H LEU 97 H LEU 97 -7.017 3.127 -2.255 506 HA LEU 97 HA LEU 97 -4.452 3.116 -0.868 507 HB2 LEU 97 2HB LEU 97 -5.801 1.673 -2.882 508 HB3 LEU 97 3HB LEU 97 -4.656 2.549 -3.793 509 HG LEU 97 HG LEU 97 -2.808 1.658 -2.255 510 HD11 LEU 97 1HD1 LEU 97 -4.241 0.923 -0.371 511 HD12 LEU 97 2HD1 LEU 97 -3.334 -0.438 -1.045 512 HD13 LEU 97 3HD1 LEU 97 -5.059 -0.239 -1.439 513 HD21 LEU 97 1HD2 LEU 97 -3.163 0.785 -4.504 514 HD22 LEU 97 2HD2 LEU 97 -4.481 -0.253 -3.940 515 HD23 LEU 97 3HD2 LEU 97 -2.803 -0.561 -3.416 516 H GLY 98 H GLY 98 -5.830 4.671 -3.774 517 HA2 GLY 98 2HA GLY 98 -3.341 6.352 -4.081 518 HA3 GLY 98 3HA GLY 98 -4.018 5.364 -5.378 519 H GLY 99 H GLY 99 -6.361 6.728 -3.451 520 HA2 GLY 99 2HA GLY 99 -7.521 8.406 -5.515 521 HA3 GLY 99 3HA GLY 99 -8.017 8.375 -3.819 522 HA PRO 100 HA PRO 100 -5.995 12.220 -3.202 523 HB2 PRO 100 2HB PRO 100 -4.973 12.232 -0.705 524 HB3 PRO 100 3HB PRO 100 -6.687 11.790 -1.006 525 HG2 PRO 100 2HG PRO 100 -4.348 9.873 -0.707 526 HG3 PRO 100 3HG PRO 100 -5.879 9.892 0.224 527 HD2 PRO 100 2HD PRO 100 -5.537 8.347 -1.983 528 HD3 PRO 100 3HD PRO 100 -7.116 9.101 -1.607 529 H VAL 101 H VAL 101 -4.025 10.008 -4.363 530 HA VAL 101 HA VAL 101 -1.438 11.419 -3.859 531 HB VAL 101 HB VAL 101 -2.092 8.454 -3.614 532 HG11 VAL 101 1HG1 VAL 101 0.659 9.528 -4.125 533 HG12 VAL 101 2HG1 VAL 101 0.173 7.902 -3.580 534 HG13 VAL 101 3HG1 VAL 101 -0.316 8.443 -5.174 535 HG21 VAL 101 1HG2 VAL 101 -0.822 8.664 -1.567 536 HG22 VAL 101 2HG2 VAL 101 -0.421 10.356 -1.939 537 HG23 VAL 101 3HG2 VAL 101 -2.097 9.885 -1.588 538 H HIS 102 H HIS 102 -0.189 11.841 -5.622 539 HA HIS 102 HA HIS 102 -1.498 11.569 -8.230 540 HB2 HIS 102 2HB HIS 102 0.860 13.138 -7.197 541 HB3 HIS 102 3HB HIS 102 0.600 12.955 -8.913 542 HD1 HIS 102 1HD HIS 102 -1.809 14.031 -9.907 543 HD2 HIS 102 2HD HIS 102 -0.641 14.892 -5.953 544 HE1 HIS 102 1HE HIS 102 -3.204 16.013 -9.166 545 H ALA 103 H ALA 103 1.338 10.140 -6.624 546 HA ALA 103 HA ALA 103 1.368 8.078 -8.736 547 HB1 ALA 103 1HB ALA 103 3.689 8.212 -9.196 548 HB2 ALA 103 2HB ALA 103 3.169 9.907 -9.240 549 HB3 ALA 103 3HB ALA 103 3.994 9.240 -7.797 550 H LEU 104 H LEU 104 2.043 6.044 -7.955 551 HA LEU 104 HA LEU 104 3.392 5.777 -5.487 552 HB2 LEU 104 2HB LEU 104 1.781 4.697 -4.204 553 HB3 LEU 104 3HB LEU 104 1.149 6.256 -4.640 554 HG LEU 104 HG LEU 104 0.250 3.568 -5.760 555 HD11 LEU 104 1HD1 LEU 104 -0.346 3.972 -3.408 556 HD12 LEU 104 2HD1 LEU 104 -1.786 4.091 -4.429 557 HD13 LEU 104 3HD1 LEU 104 -0.995 5.570 -3.816 558 HD21 LEU 104 1HD2 LEU 104 -1.678 4.876 -6.689 559 HD22 LEU 104 2HD2 LEU 104 -0.154 5.255 -7.479 560 HD23 LEU 104 3HD2 LEU 104 -0.832 6.381 -6.276 561 H ALA 105 H ALA 105 3.930 3.712 -4.754 562 HA ALA 105 HA ALA 105 3.522 1.427 -6.636 563 HB1 ALA 105 1HB ALA 105 6.135 2.268 -5.352 564 HB2 ALA 105 2HB ALA 105 5.872 0.779 -6.285 565 HB3 ALA 105 3HB ALA 105 5.722 2.362 -7.075 566 H ILE 106 H ILE 106 2.696 -0.438 -5.633 567 HA ILE 106 HA ILE 106 3.291 -0.779 -2.729 568 HB ILE 106 HB ILE 106 1.513 -2.411 -2.706 569 HG12 ILE 106 2HG1 ILE 106 0.799 -1.594 -5.557 570 HG13 ILE 106 3HG1 ILE 106 1.730 -3.037 -5.179 571 HG21 ILE 106 1HG2 ILE 106 1.089 0.038 -2.253 572 HG22 ILE 106 2HG2 ILE 106 0.505 0.199 -3.911 573 HG23 ILE 106 3HG2 ILE 106 -0.344 -0.860 -2.772 574 HD11 ILE 106 1HD1 ILE 106 -1.103 -2.483 -4.290 575 HD12 ILE 106 2HD1 ILE 106 -0.549 -3.663 -5.484 576 HD13 ILE 106 3HD1 ILE 106 -0.095 -3.881 -3.784 577 H GLN 107 H GLN 107 4.095 -2.678 -1.920 578 HA GLN 107 HA GLN 107 4.953 -4.835 -3.809 579 HB2 GLN 107 2HB GLN 107 6.299 -3.942 -1.222 580 HB3 GLN 107 3HB GLN 107 6.833 -5.275 -2.232 581 HG2 GLN 107 2HG GLN 107 7.838 -3.903 -3.792 582 HG3 GLN 107 3HG GLN 107 6.695 -2.586 -3.588 583 HE21 GLN 107 1HE2 GLN 107 6.778 -1.641 -1.140 584 HE22 GLN 107 2HE2 GLN 107 8.424 -1.401 -0.549 585 H ALA 108 H ALA 108 4.098 -6.844 -3.258 586 HA ALA 108 HA ALA 108 2.338 -6.951 -0.825 587 HB1 ALA 108 1HB ALA 108 1.117 -5.967 -2.711 588 HB2 ALA 108 2HB ALA 108 1.488 -7.389 -3.712 589 HB3 ALA 108 3HB ALA 108 0.476 -7.569 -2.269 590 H ARG 109 H ARG 109 3.084 -8.629 0.267 591 HA ARG 109 HA ARG 109 3.515 -11.289 -1.092 592 HB2 ARG 109 2HB ARG 109 5.283 -9.581 0.624 593 HB3 ARG 109 3HB ARG 109 5.313 -11.275 0.966 594 HG2 ARG 109 2HG ARG 109 7.089 -10.878 -0.503 595 HG3 ARG 109 3HG ARG 109 5.858 -11.634 -1.526 596 HD2 ARG 109 2HD ARG 109 5.291 -9.502 -2.508 597 HD3 ARG 109 3HD ARG 109 6.291 -8.626 -1.351 598 HE ARG 109 HE ARG 109 7.236 -10.417 -3.565 599 HH11 ARG 109 1HH1 ARG 109 8.211 -8.068 -1.126 600 HH12 ARG 109 2HH1 ARG 109 9.653 -7.652 -2.039 601 HH21 ARG 109 1HH2 ARG 109 9.025 -9.662 -4.683 602 HH22 ARG 109 2HH2 ARG 109 10.125 -8.552 -3.853 603 H THR 110 H THR 110 3.957 -12.980 0.814 604 HA THR 110 HA THR 110 1.538 -12.973 2.560 605 HB THR 110 HB THR 110 1.669 -15.443 2.385 606 HG1 THR 110 1HG THR 110 3.174 -16.368 1.134 607 HG21 THR 110 1HG2 THR 110 0.925 -15.607 0.064 608 HG22 THR 110 2HG2 THR 110 1.646 -14.031 -0.322 609 HG23 THR 110 3HG2 THR 110 0.268 -14.128 0.797 610 HA PRO 111 HA PRO 111 3.888 -12.965 6.168 611 HB2 PRO 111 2HB PRO 111 2.680 -14.647 7.965 612 HB3 PRO 111 3HB PRO 111 1.989 -13.088 7.420 613 HG2 PRO 111 2HG PRO 111 1.356 -15.841 6.319 614 HG3 PRO 111 3HG PRO 111 0.219 -14.563 6.851 615 HD2 PRO 111 2HD PRO 111 0.826 -14.826 4.237 616 HD3 PRO 111 3HD PRO 111 0.728 -13.198 4.968 617 H ALA 112 H ALA 112 3.307 -16.445 5.163 618 HA ALA 112 HA ALA 112 5.422 -17.407 6.777 619 HB1 ALA 112 1HB ALA 112 4.353 -18.576 4.167 620 HB2 ALA 112 2HB ALA 112 5.244 -19.452 5.427 621 HB3 ALA 112 3HB ALA 112 3.629 -18.808 5.777 622 H GLN 113 H GLN 113 5.653 -15.739 3.702 623 HA GLN 113 HA GLN 113 8.562 -16.292 3.536 624 HB2 GLN 113 2HB GLN 113 8.570 -14.887 1.545 625 HB3 GLN 113 3HB GLN 113 7.482 -16.265 1.407 626 HG2 GLN 113 2HG GLN 113 5.568 -14.840 1.872 627 HG3 GLN 113 3HG GLN 113 6.611 -13.428 2.091 628 HE21 GLN 113 1HE2 GLN 113 4.571 -14.853 -0.159 629 HE22 GLN 113 2HE2 GLN 113 5.334 -14.150 -1.600 630 H TRP 114 H TRP 114 6.392 -13.468 4.452 631 HA TRP 114 HA TRP 114 8.566 -11.656 4.930 632 HB2 TRP 114 2HB TRP 114 6.137 -10.996 5.082 633 HB3 TRP 114 3HB TRP 114 6.030 -11.880 6.583 634 HD1 TRP 114 HD1 TRP 114 6.807 -10.654 8.680 635 HE1 TRP 114 HE1 TRP 114 7.864 -8.400 9.283 636 HE3 TRP 114 HE3 TRP 114 7.236 -8.735 3.986 637 HZ2 TRP 114 HZ2 TRP 114 8.699 -6.044 7.918 638 HZ3 TRP 114 HZ3 TRP 114 7.764 -6.335 3.746 639 HH2 TRP 114 HH2 TRP 114 8.612 -5.001 5.649 640 H ARG 115 H ARG 115 7.323 -14.288 6.919 641 HA ARG 115 HA ARG 115 8.707 -13.634 9.373 642 HB2 ARG 115 2HB ARG 115 7.705 -16.293 8.322 643 HB3 ARG 115 3HB ARG 115 8.233 -16.020 9.977 644 HG2 ARG 115 2HG ARG 115 6.021 -14.257 8.910 645 HG3 ARG 115 3HG ARG 115 5.687 -15.949 9.193 646 HD2 ARG 115 2HD ARG 115 4.947 -14.841 11.053 647 HD3 ARG 115 3HD ARG 115 6.431 -15.640 11.589 648 HE ARG 115 HE ARG 115 5.905 -12.726 11.309 649 HH11 ARG 115 1HH1 ARG 115 8.257 -15.091 12.468 650 HH12 ARG 115 2HH1 ARG 115 9.473 -13.841 12.657 651 HH21 ARG 115 1HH2 ARG 115 7.468 -11.219 11.784 652 HH22 ARG 115 2HH2 ARG 115 8.918 -11.747 12.575 653 H GLU 116 H GLU 116 9.827 -15.051 6.414 654 HA GLU 116 HA GLU 116 12.476 -15.697 7.642 655 HB2 GLU 116 2HB GLU 116 11.243 -16.324 4.950 656 HB3 GLU 116 3HB GLU 116 12.974 -16.539 5.310 657 HG2 GLU 116 2HG GLU 116 12.391 -18.061 7.188 658 HG3 GLU 116 3HG GLU 116 10.678 -17.837 6.854 659 H ASN 117 H ASN 117 11.481 -14.012 4.610 660 HA ASN 117 HA ASN 117 12.266 -11.485 5.743 661 HB2 ASN 117 2HB ASN 117 14.515 -12.196 5.054 662 HB3 ASN 117 3HB ASN 117 13.945 -12.588 3.438 663 HD21 ASN 117 1HD2 ASN 117 13.706 -10.896 1.906 664 HD22 ASN 117 2HD2 ASN 117 14.195 -9.251 2.262 665 H SER 118 H SER 118 11.556 -13.212 2.787 666 HA SER 118 HA SER 118 9.234 -12.563 1.731 667 HB2 SER 118 2HB SER 118 11.010 -10.158 1.107 668 HB3 SER 118 3HB SER 118 9.614 -10.633 0.118 669 HG SER 118 HG SER 118 9.605 -10.046 2.874 Start of MODEL 18 1 HA PRO 31 HA PRO 31 -1.363 12.858 6.324 2 HB2 PRO 31 2HB PRO 31 0.851 11.219 6.246 3 HB3 PRO 31 3HB PRO 31 0.857 12.831 7.018 4 HG2 PRO 31 2HG PRO 31 0.440 10.135 8.348 5 HG3 PRO 31 3HG PRO 31 1.569 11.441 8.830 6 HD2 PRO 31 2HD PRO 31 -0.828 11.179 10.022 7 HD3 PRO 31 3HD PRO 31 -0.209 12.805 9.618 8 H VAL 32 H VAL 32 -1.162 11.491 4.336 9 HA VAL 32 HA VAL 32 -3.263 9.602 4.222 10 HB VAL 32 HB VAL 32 -2.793 9.089 2.019 11 HG11 VAL 32 1HG1 VAL 32 -3.397 11.463 2.390 12 HG12 VAL 32 2HG1 VAL 32 -1.670 11.887 2.267 13 HG13 VAL 32 3HG1 VAL 32 -2.512 11.167 0.887 14 HG21 VAL 32 1HG2 VAL 32 -0.547 8.294 1.991 15 HG22 VAL 32 2HG2 VAL 32 -0.657 9.608 0.831 16 HG23 VAL 32 3HG2 VAL 32 0.102 9.911 2.414 17 H GLU 33 H GLU 33 -0.089 9.056 5.331 18 HA GLU 33 HA GLU 33 0.056 6.245 4.574 19 HB2 GLU 33 2HB GLU 33 2.244 6.332 5.164 20 HB3 GLU 33 3HB GLU 33 1.954 8.024 4.808 21 HG2 GLU 33 2HG GLU 33 1.506 8.163 7.434 22 HG3 GLU 33 3HG GLU 33 2.443 6.648 7.392 23 H ALA 34 H ALA 34 -0.753 8.117 7.431 24 HA ALA 34 HA ALA 34 -1.343 5.775 9.095 25 HB1 ALA 34 1HB ALA 34 -0.460 7.918 9.975 26 HB2 ALA 34 2HB ALA 34 -1.971 8.713 9.474 27 HB3 ALA 34 3HB ALA 34 -1.981 7.398 10.691 28 H ALA 35 H ALA 35 -3.166 8.044 6.983 29 HA ALA 35 HA ALA 35 -5.769 7.017 7.583 30 HB1 ALA 35 1HB ALA 35 -5.269 9.127 6.326 31 HB2 ALA 35 2HB ALA 35 -4.776 8.138 4.932 32 HB3 ALA 35 3HB ALA 35 -6.445 8.075 5.514 33 H ILE 36 H ILE 36 -3.483 6.017 4.936 34 HA ILE 36 HA ILE 36 -5.113 3.833 4.086 35 HB ILE 36 HB ILE 36 -3.315 4.963 2.822 36 HG12 ILE 36 2HG1 ILE 36 -3.259 1.924 2.849 37 HG13 ILE 36 3HG1 ILE 36 -4.369 2.958 1.934 38 HG21 ILE 36 1HG2 ILE 36 -1.385 3.093 4.218 39 HG22 ILE 36 2HG2 ILE 36 -1.025 4.319 2.980 40 HG23 ILE 36 3HG2 ILE 36 -1.585 4.833 4.533 41 HD11 ILE 36 1HD1 ILE 36 -2.328 3.907 0.732 42 HD12 ILE 36 2HD1 ILE 36 -1.374 2.624 1.524 43 HD13 ILE 36 3HD1 ILE 36 -2.661 2.176 0.421 44 H ARG 37 H ARG 37 -2.395 3.915 6.456 45 HA ARG 37 HA ARG 37 -2.490 1.165 7.253 46 HB2 ARG 37 2HB ARG 37 -2.262 3.589 9.102 47 HB3 ARG 37 3HB ARG 37 -2.209 1.929 9.647 48 HG2 ARG 37 2HG ARG 37 -0.281 1.945 7.631 49 HG3 ARG 37 3HG ARG 37 -0.130 3.544 8.370 50 HD2 ARG 37 2HD ARG 37 0.349 2.675 10.527 51 HD3 ARG 37 3HD ARG 37 -0.211 1.065 10.085 52 HE ARG 37 HE ARG 37 1.768 0.579 8.964 53 HH11 ARG 37 1HH1 ARG 37 2.057 3.917 10.161 54 HH12 ARG 37 2HH1 ARG 37 3.801 3.845 9.922 55 HH21 ARG 37 1HH2 ARG 37 3.842 0.638 8.743 56 HH22 ARG 37 2HH2 ARG 37 4.778 2.092 9.070 57 H THR 38 H THR 38 -4.561 3.714 8.660 58 HA THR 38 HA THR 38 -6.295 1.954 10.009 59 HB THR 38 HB THR 38 -6.235 4.784 9.392 60 HG1 THR 38 1HG THR 38 -5.993 3.772 11.379 61 HG21 THR 38 1HG2 THR 38 -8.617 5.300 9.804 62 HG22 THR 38 2HG2 THR 38 -9.043 3.607 9.492 63 HG23 THR 38 3HG2 THR 38 -8.342 4.620 8.204 64 H LYS 39 H LYS 39 -6.770 3.150 6.661 65 HA LYS 39 HA LYS 39 -9.304 1.862 6.280 66 HB2 LYS 39 2HB LYS 39 -7.192 2.859 4.322 67 HB3 LYS 39 3HB LYS 39 -8.738 2.178 3.809 68 HG2 LYS 39 2HG LYS 39 -9.960 3.889 5.090 69 HG3 LYS 39 3HG LYS 39 -8.436 4.636 5.589 70 HD2 LYS 39 2HD LYS 39 -7.846 5.008 3.188 71 HD3 LYS 39 3HD LYS 39 -9.398 4.309 2.711 72 HE2 LYS 39 2HE LYS 39 -8.993 6.857 4.343 73 HE3 LYS 39 3HE LYS 39 -9.446 6.759 2.639 74 HZ1 LYS 39 1HZ LYS 39 -11.443 7.062 3.807 75 HZ2 LYS 39 2HZ LYS 39 -11.059 5.972 4.974 76 HZ3 LYS 39 3HZ LYS 39 -11.446 5.432 3.487 77 H LEU 40 H LEU 40 -5.999 0.665 5.532 78 HA LEU 40 HA LEU 40 -7.045 -1.779 4.337 79 HB2 LEU 40 2HB LEU 40 -4.308 -0.665 4.988 80 HB3 LEU 40 3HB LEU 40 -4.489 -2.329 4.503 81 HG LEU 40 HG LEU 40 -3.891 -0.694 2.686 82 HD11 LEU 40 1HD1 LEU 40 -4.710 -2.960 2.246 83 HD12 LEU 40 2HD1 LEU 40 -5.313 -1.827 1.012 84 HD13 LEU 40 3HD1 LEU 40 -6.388 -2.407 2.314 85 HD21 LEU 40 1HD2 LEU 40 -6.840 0.059 2.648 86 HD22 LEU 40 2HD2 LEU 40 -5.585 0.539 1.494 87 HD23 LEU 40 3HD2 LEU 40 -5.518 1.141 3.145 88 H GLU 41 H GLU 41 -5.729 -0.892 7.517 89 HA GLU 41 HA GLU 41 -5.872 -3.424 8.828 90 HB2 GLU 41 2HB GLU 41 -6.411 -0.564 9.725 91 HB3 GLU 41 3HB GLU 41 -6.629 -1.923 10.800 92 HG2 GLU 41 2HG GLU 41 -4.267 -2.575 10.518 93 HG3 GLU 41 3HG GLU 41 -3.976 -1.166 9.514 94 H GLU 42 H GLU 42 -8.537 -0.931 8.306 95 HA GLU 42 HA GLU 42 -10.519 -2.668 9.434 96 HB2 GLU 42 2HB GLU 42 -11.046 -0.450 9.616 97 HB3 GLU 42 3HB GLU 42 -10.410 -0.026 8.018 98 HG2 GLU 42 2HG GLU 42 -12.211 -0.908 6.893 99 HG3 GLU 42 3HG GLU 42 -12.905 -1.702 8.333 100 H ALA 43 H ALA 43 -9.343 -2.235 6.060 101 HA ALA 43 HA ALA 43 -11.496 -3.710 4.907 102 HB1 ALA 43 1HB ALA 43 -10.125 -2.081 3.664 103 HB2 ALA 43 2HB ALA 43 -8.713 -3.150 3.805 104 HB3 ALA 43 3HB ALA 43 -10.132 -3.662 2.871 105 H LEU 44 H LEU 44 -8.051 -4.884 5.365 106 HA LEU 44 HA LEU 44 -9.098 -7.473 4.254 107 HB2 LEU 44 2HB LEU 44 -7.459 -7.654 2.754 108 HB3 LEU 44 3HB LEU 44 -8.308 -6.132 2.618 109 HG LEU 44 HG LEU 44 -6.270 -5.012 3.723 110 HD11 LEU 44 1HD1 LEU 44 -5.022 -7.739 3.071 111 HD12 LEU 44 2HD1 LEU 44 -5.066 -6.966 4.667 112 HD13 LEU 44 3HD1 LEU 44 -4.105 -6.247 3.375 113 HD21 LEU 44 1HD2 LEU 44 -6.178 -6.573 1.125 114 HD22 LEU 44 2HD2 LEU 44 -5.134 -5.156 1.478 115 HD23 LEU 44 3HD2 LEU 44 -6.906 -4.986 1.389 116 H SER 45 H SER 45 -7.749 -6.364 6.933 117 HA SER 45 HA SER 45 -6.518 -7.109 8.649 118 HB2 SER 45 2HB SER 45 -8.412 -8.752 8.575 119 HB3 SER 45 3HB SER 45 -7.223 -9.907 7.961 120 HG SER 45 HG SER 45 -6.031 -8.730 9.980 121 HA PRO 46 HA PRO 46 -2.784 -8.038 6.010 122 HB2 PRO 46 2HB PRO 46 -1.572 -6.001 7.848 123 HB3 PRO 46 3HB PRO 46 -1.416 -6.195 6.131 124 HG2 PRO 46 2HG PRO 46 -3.022 -4.260 7.190 125 HG3 PRO 46 3HG PRO 46 -3.472 -5.119 5.682 126 HD2 PRO 46 2HD PRO 46 -4.453 -5.599 8.495 127 HD3 PRO 46 3HD PRO 46 -5.360 -5.589 6.951 128 H GLU 47 H GLU 47 -0.549 -8.841 6.635 129 HA GLU 47 HA GLU 47 -0.206 -9.546 9.481 130 HB2 GLU 47 2HB GLU 47 0.252 -11.098 7.277 131 HB3 GLU 47 3HB GLU 47 1.757 -10.244 7.373 132 HG2 GLU 47 2HG GLU 47 2.056 -12.139 8.576 133 HG3 GLU 47 3HG GLU 47 2.048 -10.824 9.724 134 H VAL 48 H VAL 48 1.136 -7.560 6.761 135 HA VAL 48 HA VAL 48 2.108 -5.805 8.986 136 HB VAL 48 HB VAL 48 4.011 -5.142 7.597 137 HG11 VAL 48 1HG1 VAL 48 4.286 -7.004 9.250 138 HG12 VAL 48 2HG1 VAL 48 4.379 -8.090 7.793 139 HG13 VAL 48 3HG1 VAL 48 5.466 -6.672 7.959 140 HG21 VAL 48 1HG2 VAL 48 2.855 -6.991 5.707 141 HG22 VAL 48 2HG2 VAL 48 3.768 -5.502 5.407 142 HG23 VAL 48 3HG2 VAL 48 4.639 -7.017 5.812 143 H LEU 49 H LEU 49 2.403 -3.643 8.426 144 HA LEU 49 HA LEU 49 2.518 -3.224 5.710 145 HB2 LEU 49 2HB LEU 49 0.905 -1.015 5.833 146 HB3 LEU 49 3HB LEU 49 0.435 -2.592 5.232 147 HG LEU 49 HG LEU 49 -0.608 -3.161 7.439 148 HD11 LEU 49 1HD1 LEU 49 -1.106 -1.312 9.012 149 HD12 LEU 49 2HD1 LEU 49 -0.017 -0.260 8.075 150 HD13 LEU 49 3HD1 LEU 49 0.615 -1.667 8.957 151 HD21 LEU 49 1HD2 LEU 49 -1.907 -2.392 5.603 152 HD22 LEU 49 2HD2 LEU 49 -1.586 -0.682 6.005 153 HD23 LEU 49 3HD2 LEU 49 -2.546 -1.707 7.106 154 H GLU 50 H GLU 50 4.250 -2.219 5.329 155 HA GLU 50 HA GLU 50 5.242 -0.091 7.204 156 HB2 GLU 50 2HB GLU 50 6.956 -2.007 5.633 157 HB3 GLU 50 3HB GLU 50 7.476 -0.767 6.758 158 HG2 GLU 50 2HG GLU 50 6.157 -1.949 8.541 159 HG3 GLU 50 3HG GLU 50 5.999 -3.331 7.445 160 H LEU 51 H LEU 51 5.617 1.811 6.288 161 HA LEU 51 HA LEU 51 5.824 2.078 3.349 162 HB2 LEU 51 2HB LEU 51 3.669 2.774 2.900 163 HB3 LEU 51 3HB LEU 51 3.459 1.430 4.008 164 HG LEU 51 HG LEU 51 3.179 4.359 4.500 165 HD11 LEU 51 1HD1 LEU 51 0.848 3.804 5.010 166 HD12 LEU 51 2HD1 LEU 51 1.189 2.069 4.852 167 HD13 LEU 51 3HD1 LEU 51 1.274 3.119 3.427 168 HD21 LEU 51 1HD2 LEU 51 4.096 3.465 6.603 169 HD22 LEU 51 2HD2 LEU 51 2.944 2.113 6.538 170 HD23 LEU 51 3HD2 LEU 51 2.377 3.779 6.828 171 H ARG 52 H ARG 52 5.655 4.354 2.471 172 HA ARG 52 HA ARG 52 6.181 6.565 4.241 173 HB2 ARG 52 2HB ARG 52 8.484 5.009 3.144 174 HB3 ARG 52 3HB ARG 52 8.538 6.686 2.669 175 HG2 ARG 52 2HG ARG 52 8.512 5.658 5.533 176 HG3 ARG 52 3HG ARG 52 9.840 6.416 4.644 177 HD2 ARG 52 2HD ARG 52 8.182 8.413 4.334 178 HD3 ARG 52 3HD ARG 52 7.305 7.680 5.697 179 HE ARG 52 HE ARG 52 9.952 7.883 6.552 180 HH11 ARG 52 1HH1 ARG 52 7.463 10.193 5.505 181 HH12 ARG 52 2HH1 ARG 52 8.407 11.537 6.172 182 HH21 ARG 52 1HH2 ARG 52 10.902 9.741 7.500 183 HH22 ARG 52 2HH2 ARG 52 10.139 11.287 7.201 184 H ASN 53 H ASN 53 6.272 8.589 3.153 185 HA ASN 53 HA ASN 53 5.482 8.479 0.323 186 HB2 ASN 53 2HB ASN 53 4.223 10.242 0.599 187 HB3 ASN 53 3HB ASN 53 4.257 9.718 2.259 188 HD21 ASN 53 1HD2 ASN 53 3.818 11.764 3.118 189 HD22 ASN 53 2HD2 ASN 53 4.864 13.160 2.866 190 H GLU 54 H GLU 54 6.324 9.638 -1.300 191 HA GLU 54 HA GLU 54 9.306 9.625 -1.235 192 HB2 GLU 54 2HB GLU 54 8.068 7.945 -2.531 193 HB3 GLU 54 3HB GLU 54 7.239 9.208 -3.434 194 HG2 GLU 54 2HG GLU 54 9.319 9.875 -4.514 195 HG3 GLU 54 3HG GLU 54 10.246 8.781 -3.465 196 H SER 55 H SER 55 6.678 11.796 -1.595 197 HA SER 55 HA SER 55 7.468 13.505 -3.609 198 HB2 SER 55 2HB SER 55 5.726 14.893 -2.881 199 HB3 SER 55 3HB SER 55 5.286 13.179 -2.590 200 HG SER 55 HG SER 55 4.958 14.982 -0.860 201 H GLY 56 H GLY 56 8.903 13.509 -0.476 202 HA2 GLY 56 2HA GLY 56 9.938 16.203 -0.451 203 HA3 GLY 56 3HA GLY 56 10.688 14.798 0.317 204 H GLY 57 H GLY 57 10.718 13.478 -2.489 205 HA2 GLY 57 2HA GLY 57 13.145 14.722 -3.638 206 HA3 GLY 57 3HA GLY 57 12.395 13.205 -4.130 207 H HIS 58 H HIS 58 10.107 15.779 -3.862 208 HA HIS 58 HA HIS 58 10.300 16.486 -6.751 209 HB2 HIS 58 2HB HIS 58 7.784 15.801 -5.158 210 HB3 HIS 58 3HB HIS 58 7.791 16.562 -6.737 211 HD1 HIS 58 1HD HIS 58 7.990 15.026 -8.812 212 HD2 HIS 58 2HD HIS 58 8.955 13.171 -5.169 213 HE1 HIS 58 1HE HIS 58 8.694 12.626 -9.374 214 H ALA 59 H ALA 59 9.436 18.564 -7.301 215 HA ALA 59 HA ALA 59 10.120 20.599 -5.334 216 HB1 ALA 59 1HB ALA 59 9.230 20.787 -8.238 217 HB2 ALA 59 2HB ALA 59 9.886 22.109 -7.251 218 HB3 ALA 59 3HB ALA 59 10.909 20.719 -7.650 219 H VAL 60 H VAL 60 8.240 19.663 -3.994 220 HA VAL 60 HA VAL 60 5.646 20.992 -4.632 221 HB VAL 60 HB VAL 60 4.513 19.227 -3.468 222 HG11 VAL 60 1HG1 VAL 60 6.484 18.007 -5.419 223 HG12 VAL 60 2HG1 VAL 60 4.894 17.371 -4.966 224 HG13 VAL 60 3HG1 VAL 60 5.014 18.892 -5.862 225 HG21 VAL 60 1HG2 VAL 60 7.228 17.952 -2.969 226 HG22 VAL 60 2HG2 VAL 60 6.129 18.616 -1.733 227 HG23 VAL 60 3HG2 VAL 60 5.648 17.203 -2.664 228 HA PRO 61 HA PRO 61 5.780 23.328 -0.842 229 HB2 PRO 61 2HB PRO 61 2.949 22.351 -0.423 230 HB3 PRO 61 3HB PRO 61 3.608 24.004 -0.220 231 HG2 PRO 61 2HG PRO 61 2.251 23.394 -2.458 232 HG3 PRO 61 3HG PRO 61 3.803 24.284 -2.606 233 HD2 PRO 61 2HD PRO 61 3.310 21.309 -2.959 234 HD3 PRO 61 3HD PRO 61 4.225 22.437 -4.008 235 HA PRO 62 HA PRO 62 6.700 20.271 2.292 236 HB2 PRO 62 2HB PRO 62 6.007 22.457 4.263 237 HB3 PRO 62 3HB PRO 62 7.396 21.319 4.274 238 HG2 PRO 62 2HG PRO 62 7.778 23.810 3.363 239 HG3 PRO 62 3HG PRO 62 8.384 22.421 2.386 240 HD2 PRO 62 2HD PRO 62 5.801 23.972 1.986 241 HD3 PRO 62 3HD PRO 62 7.079 23.579 0.796 242 H GLY 63 H GLY 63 5.522 18.665 3.152 243 HA2 GLY 63 2HA GLY 63 3.728 17.509 4.070 244 HA3 GLY 63 3HA GLY 63 2.900 19.031 4.408 245 H SER 64 H SER 64 3.826 18.902 1.078 246 HA SER 64 HA SER 64 1.109 18.118 0.205 247 HB2 SER 64 2HB SER 64 2.360 19.948 -0.905 248 HB3 SER 64 3HB SER 64 3.587 18.776 -1.411 249 HG SER 64 HG SER 64 0.808 18.663 -2.110 250 H GLU 65 H GLU 65 0.553 16.077 0.026 251 HA GLU 65 HA GLU 65 2.652 13.967 -0.075 252 HB2 GLU 65 2HB GLU 65 -0.230 13.702 0.832 253 HB3 GLU 65 3HB GLU 65 1.056 12.493 0.939 254 HG2 GLU 65 2HG GLU 65 2.344 14.245 2.341 255 HG3 GLU 65 3HG GLU 65 0.813 15.113 2.454 256 H THR 66 H THR 66 2.722 14.701 -2.543 257 HA THR 66 HA THR 66 0.558 13.820 -4.229 258 HB THR 66 HB THR 66 2.245 14.305 -6.041 259 HG1 THR 66 1HG THR 66 4.256 14.811 -5.497 260 HG21 THR 66 1HG2 THR 66 2.468 16.694 -5.692 261 HG22 THR 66 2HG2 THR 66 2.184 16.524 -3.949 262 HG23 THR 66 3HG2 THR 66 0.871 16.193 -5.100 263 H HIS 67 H HIS 67 3.344 12.288 -2.873 264 HA HIS 67 HA HIS 67 3.442 10.194 -4.996 265 HB2 HIS 67 2HB HIS 67 5.111 12.409 -4.580 266 HB3 HIS 67 3HB HIS 67 5.999 11.121 -3.863 267 HD1 HIS 67 1HD HIS 67 7.281 9.647 -5.944 268 HD2 HIS 67 2HD HIS 67 3.955 11.973 -6.933 269 HE1 HIS 67 1HE HIS 67 7.310 9.836 -8.476 270 H PHE 68 H PHE 68 3.410 8.169 -4.186 271 HA PHE 68 HA PHE 68 4.268 7.788 -1.351 272 HB2 PHE 68 2HB PHE 68 1.868 8.452 -1.709 273 HB3 PHE 68 3HB PHE 68 1.573 6.976 -2.547 274 HD1 PHE 68 1HD PHE 68 3.254 8.104 0.656 275 HD2 PHE 68 2HD PHE 68 0.463 5.405 -1.202 276 HE1 PHE 68 1HE PHE 68 2.774 7.085 2.895 277 HE2 PHE 68 2HE PHE 68 -0.042 4.435 1.008 278 HZ PHE 68 HZ PHE 68 1.118 5.270 3.042 279 H ARG 69 H ARG 69 4.708 5.757 -0.477 280 HA ARG 69 HA ARG 69 4.954 3.451 -2.327 281 HB2 ARG 69 2HB ARG 69 7.150 4.887 -0.882 282 HB3 ARG 69 3HB ARG 69 7.209 3.136 -0.817 283 HG2 ARG 69 2HG ARG 69 6.827 4.611 -3.424 284 HG3 ARG 69 3HG ARG 69 8.431 4.337 -2.736 285 HD2 ARG 69 2HD ARG 69 6.422 2.262 -3.678 286 HD3 ARG 69 3HD ARG 69 7.944 2.678 -4.457 287 HE ARG 69 HE ARG 69 7.536 0.709 -2.485 288 HH11 ARG 69 1HH1 ARG 69 10.026 3.045 -3.357 289 HH12 ARG 69 2HH1 ARG 69 11.224 2.262 -2.366 290 HH21 ARG 69 1HH2 ARG 69 9.109 -0.284 -1.344 291 HH22 ARG 69 2HH2 ARG 69 10.756 0.280 -1.422 292 H VAL 70 H VAL 70 4.468 1.585 -1.509 293 HA VAL 70 HA VAL 70 4.204 1.280 1.484 294 HB VAL 70 HB VAL 70 2.070 0.091 -0.284 295 HG11 VAL 70 1HG1 VAL 70 1.870 1.038 2.591 296 HG12 VAL 70 2HG1 VAL 70 0.756 0.014 1.709 297 HG13 VAL 70 3HG1 VAL 70 2.346 -0.607 2.193 298 HG21 VAL 70 1HG2 VAL 70 0.568 1.984 0.279 299 HG22 VAL 70 2HG2 VAL 70 1.963 2.863 0.955 300 HG23 VAL 70 3HG2 VAL 70 1.885 2.487 -0.779 301 H ALA 71 H ALA 71 4.731 -0.602 2.379 302 HA ALA 71 HA ALA 71 4.954 -2.999 0.585 303 HB1 ALA 71 1HB ALA 71 6.308 -2.628 3.299 304 HB2 ALA 71 2HB ALA 71 6.442 -4.017 2.221 305 HB3 ALA 71 3HB ALA 71 7.123 -2.455 1.723 306 H VAL 72 H VAL 72 3.326 -4.404 0.796 307 HA VAL 72 HA VAL 72 1.898 -4.540 3.399 308 HB VAL 72 HB VAL 72 -0.244 -4.817 2.392 309 HG11 VAL 72 1HG1 VAL 72 0.592 -2.503 2.934 310 HG12 VAL 72 2HG1 VAL 72 0.967 -2.309 1.207 311 HG13 VAL 72 3HG1 VAL 72 -0.710 -2.560 1.730 312 HG21 VAL 72 1HG2 VAL 72 -0.739 -4.326 0.029 313 HG22 VAL 72 2HG2 VAL 72 0.995 -4.228 -0.325 314 HG23 VAL 72 3HG2 VAL 72 0.267 -5.766 0.184 315 H VAL 73 H VAL 73 1.386 -6.528 4.112 316 HA VAL 73 HA VAL 73 1.744 -8.827 2.300 317 HB VAL 73 HB VAL 73 3.706 -7.999 4.120 318 HG11 VAL 73 1HG1 VAL 73 2.701 -9.101 5.959 319 HG12 VAL 73 2HG1 VAL 73 2.635 -10.656 5.063 320 HG13 VAL 73 3HG1 VAL 73 4.177 -9.886 5.524 321 HG21 VAL 73 1HG2 VAL 73 3.961 -9.053 1.936 322 HG22 VAL 73 2HG2 VAL 73 5.083 -9.569 3.181 323 HG23 VAL 73 3HG2 VAL 73 3.729 -10.632 2.758 324 H SER 74 H SER 74 0.307 -10.380 2.578 325 HA SER 74 HA SER 74 -1.187 -10.682 5.107 326 HB2 SER 74 2HB SER 74 -2.379 -8.770 4.046 327 HB3 SER 74 3HB SER 74 -2.667 -9.761 2.605 328 HG SER 74 HG SER 74 -4.318 -9.670 4.505 329 H SER 75 H SER 75 -2.332 -12.607 5.257 330 HA SER 75 HA SER 75 -1.690 -14.785 3.457 331 HB2 SER 75 2HB SER 75 -3.521 -15.946 4.791 332 HB3 SER 75 3HB SER 75 -2.113 -15.361 5.687 333 HG SER 75 HG SER 75 -3.784 -14.724 6.854 334 H ARG 76 H ARG 76 -4.220 -12.399 3.486 335 HA ARG 76 HA ARG 76 -6.083 -13.700 1.735 336 HB2 ARG 76 2HB ARG 76 -6.518 -11.785 3.264 337 HB3 ARG 76 3HB ARG 76 -5.710 -10.716 2.110 338 HG2 ARG 76 2HG ARG 76 -7.401 -11.042 0.466 339 HG3 ARG 76 3HG ARG 76 -7.998 -12.528 1.231 340 HD2 ARG 76 2HD ARG 76 -8.924 -11.295 3.089 341 HD3 ARG 76 3HD ARG 76 -8.185 -9.795 2.533 342 HE ARG 76 HE ARG 76 -9.851 -9.526 0.914 343 HH11 ARG 76 1HH1 ARG 76 -10.450 -12.753 2.355 344 HH12 ARG 76 2HH1 ARG 76 -11.927 -12.840 1.395 345 HH21 ARG 76 1HH2 ARG 76 -11.716 -9.813 -0.028 346 HH22 ARG 76 2HH2 ARG 76 -12.634 -11.301 0.232 347 H PHE 77 H PHE 77 -2.946 -12.711 0.932 348 HA PHE 77 HA PHE 77 -3.599 -12.338 -1.923 349 HB2 PHE 77 2HB PHE 77 -1.053 -11.833 -0.362 350 HB3 PHE 77 3HB PHE 77 -1.361 -11.412 -2.022 351 HD1 PHE 77 1HD PHE 77 -4.233 -10.229 -1.645 352 HD2 PHE 77 2HD PHE 77 -0.497 -9.663 0.431 353 HE1 PHE 77 1HE PHE 77 -4.956 -7.971 -0.948 354 HE2 PHE 77 2HE PHE 77 -1.225 -7.400 1.128 355 HZ PHE 77 HZ PHE 77 -3.459 -6.548 0.440 356 H GLU 78 H GLU 78 -2.969 -15.043 -0.031 357 HA GLU 78 HA GLU 78 -1.263 -16.280 -2.020 358 HB2 GLU 78 2HB GLU 78 -1.132 -18.078 -0.697 359 HB3 GLU 78 3HB GLU 78 -1.319 -16.830 0.506 360 HG2 GLU 78 2HG GLU 78 -3.663 -17.484 0.853 361 HG3 GLU 78 3HG GLU 78 -3.597 -18.623 -0.491 362 H GLY 79 H GLY 79 -1.802 -18.028 -3.365 363 HA2 GLY 79 2HA GLY 79 -3.224 -19.656 -4.265 364 HA3 GLY 79 3HA GLY 79 -4.644 -18.789 -3.700 365 H LEU 80 H LEU 80 -2.597 -16.621 -5.358 366 HA LEU 80 HA LEU 80 -3.750 -16.986 -8.032 367 HB2 LEU 80 2HB LEU 80 -4.312 -14.448 -7.614 368 HB3 LEU 80 3HB LEU 80 -5.482 -15.711 -7.282 369 HG LEU 80 HG LEU 80 -4.968 -15.406 -4.970 370 HD11 LEU 80 1HD1 LEU 80 -2.650 -14.717 -4.888 371 HD12 LEU 80 2HD1 LEU 80 -3.609 -13.406 -4.208 372 HD13 LEU 80 3HD1 LEU 80 -3.000 -13.294 -5.885 373 HD21 LEU 80 1HD2 LEU 80 -5.486 -12.715 -6.247 374 HD22 LEU 80 2HD2 LEU 80 -5.935 -13.222 -4.599 375 HD23 LEU 80 3HD2 LEU 80 -6.703 -13.992 -5.994 376 H SER 81 H SER 81 -2.811 -15.461 -9.562 377 HA SER 81 HA SER 81 -0.026 -15.262 -9.578 378 HB2 SER 81 2HB SER 81 -1.229 -15.214 -11.613 379 HB3 SER 81 3HB SER 81 -2.262 -13.897 -11.059 380 HG SER 81 HG SER 81 -1.025 -12.854 -12.299 381 HA PRO 82 HA PRO 82 1.226 -11.523 -7.342 382 HB2 PRO 82 2HB PRO 82 2.880 -11.138 -9.838 383 HB3 PRO 82 3HB PRO 82 3.345 -10.865 -8.129 384 HG2 PRO 82 2HG PRO 82 4.084 -13.151 -9.335 385 HG3 PRO 82 3HG PRO 82 3.339 -13.236 -7.701 386 HD2 PRO 82 2HD PRO 82 2.019 -13.680 -10.401 387 HD3 PRO 82 3HD PRO 82 1.905 -14.670 -8.918 388 H LEU 83 H LEU 83 0.581 -11.147 -10.890 389 HA LEU 83 HA LEU 83 -0.195 -8.363 -10.653 390 HB2 LEU 83 2HB LEU 83 -0.641 -10.432 -12.822 391 HB3 LEU 83 3HB LEU 83 -1.202 -8.769 -12.949 392 HG LEU 83 HG LEU 83 1.694 -9.666 -12.708 393 HD11 LEU 83 1HD1 LEU 83 0.116 -8.482 -15.034 394 HD12 LEU 83 2HD1 LEU 83 0.633 -10.177 -14.877 395 HD13 LEU 83 3HD1 LEU 83 1.843 -8.899 -15.045 396 HD21 LEU 83 1HD2 LEU 83 2.230 -7.289 -13.286 397 HD22 LEU 83 2HD2 LEU 83 1.468 -7.430 -11.704 398 HD23 LEU 83 3HD2 LEU 83 0.514 -6.873 -13.100 399 H GLN 84 H GLN 84 -1.961 -11.359 -10.125 400 HA GLN 84 HA GLN 84 -4.564 -10.064 -10.233 401 HB2 GLN 84 2HB GLN 84 -4.175 -12.383 -10.965 402 HB3 GLN 84 3HB GLN 84 -3.897 -12.868 -9.292 403 HG2 GLN 84 2HG GLN 84 -6.177 -12.505 -8.710 404 HG3 GLN 84 3HG GLN 84 -6.448 -11.407 -10.064 405 HE21 GLN 84 1HE2 GLN 84 -6.739 -14.761 -9.085 406 HE22 GLN 84 2HE2 GLN 84 -7.223 -15.306 -10.685 407 H ARG 85 H ARG 85 -2.282 -10.943 -7.601 408 HA ARG 85 HA ARG 85 -4.094 -9.909 -5.515 409 HB2 ARG 85 2HB ARG 85 -2.136 -9.873 -4.022 410 HB3 ARG 85 3HB ARG 85 -2.433 -11.446 -4.734 411 HG2 ARG 85 2HG ARG 85 -0.619 -11.124 -6.333 412 HG3 ARG 85 3HG ARG 85 -0.364 -9.477 -5.761 413 HD2 ARG 85 2HD ARG 85 1.344 -10.701 -4.800 414 HD3 ARG 85 3HD ARG 85 0.212 -10.440 -3.487 415 HE ARG 85 HE ARG 85 -0.584 -12.825 -3.901 416 HH11 ARG 85 1HH1 ARG 85 2.780 -12.046 -4.821 417 HH12 ARG 85 2HH1 ARG 85 3.275 -13.666 -4.421 418 HH21 ARG 85 1HH2 ARG 85 0.130 -14.799 -3.632 419 HH22 ARG 85 2HH2 ARG 85 1.793 -15.233 -4.004 420 H HIS 86 H HIS 86 -1.383 -8.448 -7.368 421 HA HIS 86 HA HIS 86 -1.583 -5.823 -6.295 422 HB2 HIS 86 2HB HIS 86 -0.665 -7.076 -8.853 423 HB3 HIS 86 3HB HIS 86 -0.883 -5.317 -8.823 424 HD1 HIS 86 1HD HIS 86 1.411 -4.194 -8.385 425 HD2 HIS 86 2HD HIS 86 0.933 -7.904 -6.470 426 HE1 HIS 86 1HE HIS 86 3.506 -4.556 -6.986 427 H ARG 87 H ARG 87 -3.327 -7.209 -9.172 428 HA ARG 87 HA ARG 87 -5.175 -5.121 -9.581 429 HB2 ARG 87 2HB ARG 87 -4.932 -6.861 -11.181 430 HB3 ARG 87 3HB ARG 87 -5.365 -8.111 -10.012 431 HG2 ARG 87 2HG ARG 87 -7.645 -7.523 -9.990 432 HG3 ARG 87 3HG ARG 87 -7.365 -5.973 -10.800 433 HD2 ARG 87 2HD ARG 87 -6.621 -8.569 -12.184 434 HD3 ARG 87 3HD ARG 87 -8.302 -8.051 -12.135 435 HE ARG 87 HE ARG 87 -7.699 -5.959 -13.243 436 HH11 ARG 87 1HH1 ARG 87 -5.220 -8.467 -13.631 437 HH12 ARG 87 2HH1 ARG 87 -4.568 -7.643 -15.023 438 HH21 ARG 87 1HH2 ARG 87 -6.860 -5.065 -14.926 439 HH22 ARG 87 2HH2 ARG 87 -5.488 -5.771 -15.771 440 H LEU 88 H LEU 88 -5.558 -7.877 -7.268 441 HA LEU 88 HA LEU 88 -8.108 -7.187 -6.303 442 HB2 LEU 88 2HB LEU 88 -6.536 -9.185 -5.747 443 HB3 LEU 88 3HB LEU 88 -5.883 -8.174 -4.477 444 HG LEU 88 HG LEU 88 -8.790 -9.056 -4.748 445 HD11 LEU 88 1HD1 LEU 88 -8.268 -10.514 -2.836 446 HD12 LEU 88 2HD1 LEU 88 -6.586 -9.942 -2.828 447 HD13 LEU 88 3HD1 LEU 88 -7.213 -10.886 -4.199 448 HD21 LEU 88 1HD2 LEU 88 -8.777 -6.978 -3.500 449 HD22 LEU 88 2HD2 LEU 88 -7.379 -7.504 -2.531 450 HD23 LEU 88 3HD2 LEU 88 -8.959 -8.294 -2.350 451 H VAL 89 H VAL 89 -4.940 -6.071 -4.965 452 HA VAL 89 HA VAL 89 -6.107 -4.196 -3.121 453 HB VAL 89 HB VAL 89 -3.333 -4.182 -4.386 454 HG11 VAL 89 1HG1 VAL 89 -2.655 -2.890 -2.383 455 HG12 VAL 89 2HG1 VAL 89 -3.830 -2.006 -3.354 456 HG13 VAL 89 3HG1 VAL 89 -4.357 -2.805 -1.861 457 HG21 VAL 89 1HG2 VAL 89 -4.300 -5.308 -1.718 458 HG22 VAL 89 2HG2 VAL 89 -3.794 -6.271 -3.119 459 HG23 VAL 89 3HG2 VAL 89 -2.613 -5.262 -2.290 460 H HIS 90 H HIS 90 -5.077 -3.784 -6.444 461 HA HIS 90 HA HIS 90 -5.109 -0.896 -6.492 462 HB2 HIS 90 2HB HIS 90 -5.001 -2.984 -8.711 463 HB3 HIS 90 3HB HIS 90 -4.937 -1.256 -8.996 464 HD1 HIS 90 1HD HIS 90 -2.545 -2.134 -10.206 465 HD2 HIS 90 2HD HIS 90 -2.773 -1.980 -6.000 466 HE1 HIS 90 1HE HIS 90 -0.161 -2.074 -9.359 467 H ALA 91 H ALA 91 -7.361 -3.412 -7.760 468 HA ALA 91 HA ALA 91 -9.249 -1.364 -8.654 469 HB1 ALA 91 1HB ALA 91 -10.492 -3.253 -9.556 470 HB2 ALA 91 2HB ALA 91 -8.777 -3.392 -9.993 471 HB3 ALA 91 3HB ALA 91 -9.450 -4.402 -8.690 472 H ALA 92 H ALA 92 -9.074 -3.705 -5.893 473 HA ALA 92 HA ALA 92 -11.791 -2.919 -5.087 474 HB1 ALA 92 1HB ALA 92 -9.896 -4.722 -3.570 475 HB2 ALA 92 2HB ALA 92 -11.651 -4.590 -3.431 476 HB3 ALA 92 3HB ALA 92 -10.943 -5.274 -4.905 477 H LEU 93 H LEU 93 -8.465 -1.864 -4.215 478 HA LEU 93 HA LEU 93 -9.820 -0.079 -2.184 479 HB2 LEU 93 2HB LEU 93 -7.007 -1.218 -2.125 480 HB3 LEU 93 3HB LEU 93 -7.532 0.050 -1.115 481 HG LEU 93 HG LEU 93 -7.547 -1.690 0.260 482 HD11 LEU 93 1HD1 LEU 93 -9.814 -2.078 1.002 483 HD12 LEU 93 2HD1 LEU 93 -10.467 -1.479 -0.526 484 HD13 LEU 93 3HD1 LEU 93 -9.580 -0.384 0.560 485 HD21 LEU 93 1HD2 LEU 93 -8.473 -3.853 -0.138 486 HD22 LEU 93 2HD2 LEU 93 -7.370 -3.370 -1.454 487 HD23 LEU 93 3HD2 LEU 93 -9.129 -3.323 -1.701 488 H ALA 94 H ALA 94 -9.606 0.577 -5.115 489 HA ALA 94 HA ALA 94 -7.337 2.000 -5.685 490 HB1 ALA 94 1HB ALA 94 -9.227 1.337 -7.289 491 HB2 ALA 94 2HB ALA 94 -10.102 2.772 -6.729 492 HB3 ALA 94 3HB ALA 94 -8.553 2.956 -7.560 493 H GLU 95 H GLU 95 -10.271 3.568 -4.277 494 HA GLU 95 HA GLU 95 -8.947 6.184 -4.329 495 HB2 GLU 95 2HB GLU 95 -11.505 5.247 -2.978 496 HB3 GLU 95 3HB GLU 95 -10.965 6.921 -3.097 497 HG2 GLU 95 2HG GLU 95 -11.692 5.114 -5.448 498 HG3 GLU 95 3HG GLU 95 -12.678 6.412 -4.780 499 H GLU 96 H GLU 96 -8.944 3.447 -2.127 500 HA GLU 96 HA GLU 96 -8.559 4.923 0.298 501 HB2 GLU 96 2HB GLU 96 -8.569 1.968 -0.500 502 HB3 GLU 96 3HB GLU 96 -8.642 2.653 1.073 503 HG2 GLU 96 2HG GLU 96 -10.833 3.841 0.253 504 HG3 GLU 96 3HG GLU 96 -10.755 2.703 -1.077 505 H LEU 97 H LEU 97 -6.635 2.941 -2.040 506 HA LEU 97 HA LEU 97 -4.081 3.346 -0.815 507 HB2 LEU 97 2HB LEU 97 -5.406 2.057 -3.091 508 HB3 LEU 97 3HB LEU 97 -4.171 3.003 -3.699 509 HG LEU 97 HG LEU 97 -2.539 1.863 -2.049 510 HD11 LEU 97 1HD1 LEU 97 -4.865 -0.108 -1.907 511 HD12 LEU 97 2HD1 LEU 97 -4.349 0.927 -0.567 512 HD13 LEU 97 3HD1 LEU 97 -3.251 -0.320 -1.188 513 HD21 LEU 97 1HD2 LEU 97 -2.353 -0.137 -3.517 514 HD22 LEU 97 2HD2 LEU 97 -2.581 1.350 -4.446 515 HD23 LEU 97 3HD2 LEU 97 -3.949 0.239 -4.212 516 H GLY 98 H GLY 98 -5.822 4.837 -3.586 517 HA2 GLY 98 2HA GLY 98 -3.502 6.707 -3.949 518 HA3 GLY 98 3HA GLY 98 -4.107 5.584 -5.168 519 H GLY 99 H GLY 99 -6.505 7.027 -3.333 520 HA2 GLY 99 2HA GLY 99 -7.728 8.436 -5.595 521 HA3 GLY 99 3HA GLY 99 -8.297 8.462 -3.923 522 HA PRO 100 HA PRO 100 -6.309 12.454 -3.514 523 HB2 PRO 100 2HB PRO 100 -5.592 12.669 -0.932 524 HB3 PRO 100 3HB PRO 100 -7.279 12.270 -1.399 525 HG2 PRO 100 2HG PRO 100 -5.121 10.305 -0.585 526 HG3 PRO 100 3HG PRO 100 -6.772 10.497 0.098 527 HD2 PRO 100 2HD PRO 100 -6.187 8.707 -1.893 528 HD3 PRO 100 3HD PRO 100 -7.776 9.518 -1.772 529 H VAL 101 H VAL 101 -4.530 10.403 -4.702 530 HA VAL 101 HA VAL 101 -1.855 11.420 -3.911 531 HB VAL 101 HB VAL 101 -2.042 8.435 -4.358 532 HG11 VAL 101 1HG1 VAL 101 0.097 9.572 -4.205 533 HG12 VAL 101 2HG1 VAL 101 -0.337 10.146 -2.569 534 HG13 VAL 101 3HG1 VAL 101 -0.207 8.402 -2.909 535 HG21 VAL 101 1HG2 VAL 101 -2.627 9.762 -1.668 536 HG22 VAL 101 2HG2 VAL 101 -3.757 8.738 -2.581 537 HG23 VAL 101 3HG2 VAL 101 -2.278 8.043 -1.929 538 H HIS 102 H HIS 102 -0.583 11.871 -5.646 539 HA HIS 102 HA HIS 102 -1.873 11.679 -8.283 540 HB2 HIS 102 2HB HIS 102 0.518 13.214 -7.217 541 HB3 HIS 102 3HB HIS 102 0.045 13.241 -8.899 542 HD1 HIS 102 1HD HIS 102 -2.391 14.405 -9.459 543 HD2 HIS 102 2HD HIS 102 -1.042 14.563 -5.481 544 HE1 HIS 102 1HE HIS 102 -3.821 16.160 -8.291 545 H ALA 103 H ALA 103 1.016 10.418 -6.689 546 HA ALA 103 HA ALA 103 1.097 8.302 -8.722 547 HB1 ALA 103 1HB ALA 103 3.365 8.436 -9.197 548 HB2 ALA 103 2HB ALA 103 2.975 10.162 -9.086 549 HB3 ALA 103 3HB ALA 103 3.723 9.315 -7.708 550 H LEU 104 H LEU 104 1.770 6.335 -7.870 551 HA LEU 104 HA LEU 104 3.078 6.099 -5.422 552 HB2 LEU 104 2HB LEU 104 1.583 5.068 -4.070 553 HB3 LEU 104 3HB LEU 104 0.784 6.538 -4.568 554 HG LEU 104 HG LEU 104 0.113 3.730 -5.536 555 HD11 LEU 104 1HD1 LEU 104 -0.409 4.093 -3.175 556 HD12 LEU 104 2HD1 LEU 104 -1.913 4.116 -4.110 557 HD13 LEU 104 3HD1 LEU 104 -1.185 5.643 -3.540 558 HD21 LEU 104 1HD2 LEU 104 -0.510 5.387 -7.241 559 HD22 LEU 104 2HD2 LEU 104 -1.303 6.395 -6.010 560 HD23 LEU 104 3HD2 LEU 104 -1.952 4.790 -6.429 561 H ALA 105 H ALA 105 3.721 3.996 -4.778 562 HA ALA 105 HA ALA 105 3.052 1.748 -6.607 563 HB1 ALA 105 1HB ALA 105 5.880 2.566 -5.860 564 HB2 ALA 105 2HB ALA 105 5.431 1.035 -6.648 565 HB3 ALA 105 3HB ALA 105 5.146 2.581 -7.472 566 H ILE 106 H ILE 106 2.825 -0.232 -5.700 567 HA ILE 106 HA ILE 106 3.369 -0.521 -2.799 568 HB ILE 106 HB ILE 106 1.400 -1.816 -2.546 569 HG12 ILE 106 2HG1 ILE 106 -0.351 -1.395 -4.637 570 HG13 ILE 106 3HG1 ILE 106 1.144 -1.715 -5.503 571 HG21 ILE 106 1HG2 ILE 106 -0.188 -0.053 -2.532 572 HG22 ILE 106 2HG2 ILE 106 1.402 0.702 -2.338 573 HG23 ILE 106 3HG2 ILE 106 0.587 0.767 -3.908 574 HD11 ILE 106 1HD1 ILE 106 -0.169 -3.527 -3.443 575 HD12 ILE 106 2HD1 ILE 106 -0.155 -3.769 -5.199 576 HD13 ILE 106 3HD1 ILE 106 1.359 -3.887 -4.286 577 H GLN 107 H GLN 107 4.255 -2.310 -2.070 578 HA GLN 107 HA GLN 107 4.802 -4.581 -3.937 579 HB2 GLN 107 2HB GLN 107 6.004 -4.083 -1.183 580 HB3 GLN 107 3HB GLN 107 6.437 -5.329 -2.346 581 HG2 GLN 107 2HG GLN 107 8.169 -3.811 -2.559 582 HG3 GLN 107 3HG GLN 107 7.131 -3.382 -3.916 583 HE21 GLN 107 1HE2 GLN 107 7.972 -2.407 -0.493 584 HE22 GLN 107 2HE2 GLN 107 7.288 -0.807 -0.645 585 H ALA 108 H ALA 108 3.385 -6.304 -3.712 586 HA ALA 108 HA ALA 108 1.899 -6.618 -1.130 587 HB1 ALA 108 1HB ALA 108 -0.027 -7.397 -2.466 588 HB2 ALA 108 2HB ALA 108 0.402 -5.711 -2.783 589 HB3 ALA 108 3HB ALA 108 0.852 -6.974 -3.952 590 H ARG 109 H ARG 109 2.527 -8.367 -0.102 591 HA ARG 109 HA ARG 109 3.227 -10.886 -1.591 592 HB2 ARG 109 2HB ARG 109 4.971 -9.036 -0.046 593 HB3 ARG 109 3HB ARG 109 5.105 -10.694 0.476 594 HG2 ARG 109 2HG ARG 109 6.748 -10.515 -1.058 595 HG3 ARG 109 3HG ARG 109 5.482 -11.322 -1.978 596 HD2 ARG 109 2HD ARG 109 5.012 -9.295 -3.216 597 HD3 ARG 109 3HD ARG 109 5.998 -8.312 -2.108 598 HE ARG 109 HE ARG 109 7.358 -10.603 -3.401 599 HH11 ARG 109 1HH1 ARG 109 6.675 -7.289 -4.242 600 HH12 ARG 109 2HH1 ARG 109 8.357 -6.964 -4.645 601 HH21 ARG 109 1HH2 ARG 109 9.141 -10.343 -4.306 602 HH22 ARG 109 2HH2 ARG 109 9.609 -8.834 -5.086 603 H THR 110 H THR 110 3.972 -12.613 0.176 604 HA THR 110 HA THR 110 1.578 -12.957 1.888 605 HB THR 110 HB THR 110 1.848 -15.324 1.619 606 HG1 THR 110 1HG THR 110 3.417 -16.211 0.545 607 HG21 THR 110 1HG2 THR 110 0.581 -14.050 -0.104 608 HG22 THR 110 2HG2 THR 110 1.317 -15.540 -0.722 609 HG23 THR 110 3HG2 THR 110 2.059 -13.973 -1.094 610 HA PRO 111 HA PRO 111 3.693 -12.880 5.609 611 HB2 PRO 111 2HB PRO 111 2.423 -14.707 7.220 612 HB3 PRO 111 3HB PRO 111 1.717 -13.148 6.695 613 HG2 PRO 111 2HG PRO 111 1.258 -15.852 5.441 614 HG3 PRO 111 3HG PRO 111 0.047 -14.614 5.914 615 HD2 PRO 111 2HD PRO 111 0.867 -14.747 3.368 616 HD3 PRO 111 3HD PRO 111 0.692 -13.160 4.165 617 H ALA 112 H ALA 112 3.392 -16.361 4.435 618 HA ALA 112 HA ALA 112 5.419 -17.250 6.175 619 HB1 ALA 112 1HB ALA 112 3.822 -18.717 4.984 620 HB2 ALA 112 2HB ALA 112 4.635 -18.366 3.440 621 HB3 ALA 112 3HB ALA 112 5.494 -19.243 4.724 622 H GLN 113 H GLN 113 5.846 -15.499 3.139 623 HA GLN 113 HA GLN 113 8.780 -15.918 3.174 624 HB2 GLN 113 2HB GLN 113 8.870 -14.482 1.235 625 HB3 GLN 113 3HB GLN 113 7.760 -15.830 0.996 626 HG2 GLN 113 2HG GLN 113 5.863 -14.355 1.431 627 HG3 GLN 113 3HG GLN 113 6.933 -12.971 1.661 628 HE21 GLN 113 1HE2 GLN 113 4.982 -14.587 -0.570 629 HE22 GLN 113 2HE2 GLN 113 5.680 -13.930 -2.043 630 H TRP 114 H TRP 114 6.421 -13.239 4.008 631 HA TRP 114 HA TRP 114 8.476 -11.396 4.789 632 HB2 TRP 114 2HB TRP 114 6.032 -10.800 4.683 633 HB3 TRP 114 3HB TRP 114 5.775 -11.753 6.133 634 HD1 TRP 114 HD1 TRP 114 6.326 -10.591 8.359 635 HE1 TRP 114 HE1 TRP 114 7.208 -8.312 9.107 636 HE3 TRP 114 HE3 TRP 114 7.163 -8.570 3.765 637 HZ2 TRP 114 HZ2 TRP 114 8.002 -5.872 7.865 638 HZ3 TRP 114 HZ3 TRP 114 7.608 -6.140 3.604 639 HH2 TRP 114 HH2 TRP 114 8.079 -4.787 5.612 640 H ARG 115 H ARG 115 7.016 -14.048 6.574 641 HA ARG 115 HA ARG 115 8.216 -13.670 9.174 642 HB2 ARG 115 2HB ARG 115 7.228 -16.160 7.756 643 HB3 ARG 115 3HB ARG 115 7.637 -16.101 9.464 644 HG2 ARG 115 2HG ARG 115 5.518 -14.215 8.377 645 HG3 ARG 115 3HG ARG 115 5.171 -15.918 8.632 646 HD2 ARG 115 2HD ARG 115 4.405 -14.867 10.492 647 HD3 ARG 115 3HD ARG 115 5.917 -15.599 11.037 648 HE ARG 115 HE ARG 115 6.991 -13.417 11.029 649 HH11 ARG 115 1HH1 ARG 115 3.489 -13.132 10.766 650 HH12 ARG 115 2HH1 ARG 115 3.604 -11.382 10.868 651 HH21 ARG 115 1HH2 ARG 115 6.926 -11.283 11.450 652 HH22 ARG 115 2HH2 ARG 115 5.418 -10.391 11.270 653 H GLU 116 H GLU 116 9.360 -15.217 6.244 654 HA GLU 116 HA GLU 116 11.584 -16.574 7.561 655 HB2 GLU 116 2HB GLU 116 10.285 -17.536 5.664 656 HB3 GLU 116 3HB GLU 116 10.979 -16.316 4.589 657 HG2 GLU 116 2HG GLU 116 13.238 -17.177 5.030 658 HG3 GLU 116 3HG GLU 116 12.611 -18.298 6.243 659 H ASN 117 H ASN 117 11.425 -13.921 5.026 660 HA ASN 117 HA ASN 117 13.892 -12.836 6.305 661 HB2 ASN 117 2HB ASN 117 15.248 -12.874 4.419 662 HB3 ASN 117 3HB ASN 117 14.576 -14.491 4.532 663 HD21 ASN 117 1HD2 ASN 117 15.754 -13.442 2.205 664 HD22 ASN 117 2HD2 ASN 117 14.500 -13.328 0.976 665 H SER 118 H SER 118 11.057 -11.747 5.975 666 HA SER 118 HA SER 118 9.966 -9.847 5.406 667 HB2 SER 118 2HB SER 118 12.618 -8.414 5.309 668 HB3 SER 118 3HB SER 118 11.023 -7.741 5.648 669 HG SER 118 HG SER 118 12.568 -8.179 7.429 Start of MODEL 19 1 HA PRO 31 HA PRO 31 -1.773 13.470 6.223 2 HB2 PRO 31 2HB PRO 31 -0.051 11.768 8.012 3 HB3 PRO 31 3HB PRO 31 0.355 13.284 7.149 4 HG2 PRO 31 2HG PRO 31 -0.109 13.305 9.829 5 HG3 PRO 31 3HG PRO 31 -0.776 14.608 8.793 6 HD2 PRO 31 2HD PRO 31 -2.169 12.119 9.805 7 HD3 PRO 31 3HD PRO 31 -2.746 13.809 9.841 8 H VAL 32 H VAL 32 -1.510 12.098 4.479 9 HA VAL 32 HA VAL 32 -3.390 10.005 4.595 10 HB VAL 32 HB VAL 32 -3.107 9.674 2.243 11 HG11 VAL 32 1HG1 VAL 32 -3.691 11.907 1.513 12 HG12 VAL 32 2HG1 VAL 32 -4.379 11.639 3.122 13 HG13 VAL 32 3HG1 VAL 32 -2.926 12.634 2.931 14 HG21 VAL 32 1HG2 VAL 32 -1.465 10.962 0.932 15 HG22 VAL 32 2HG2 VAL 32 -0.674 11.483 2.439 16 HG23 VAL 32 3HG2 VAL 32 -0.712 9.765 1.997 17 H GLU 33 H GLU 33 -0.018 9.686 5.195 18 HA GLU 33 HA GLU 33 0.094 6.852 4.466 19 HB2 GLU 33 2HB GLU 33 2.304 6.922 5.194 20 HB3 GLU 33 3HB GLU 33 1.962 8.503 4.502 21 HG2 GLU 33 2HG GLU 33 1.622 9.299 6.940 22 HG3 GLU 33 3HG GLU 33 2.444 7.778 7.352 23 H ALA 34 H ALA 34 -0.469 8.712 7.411 24 HA ALA 34 HA ALA 34 -0.902 6.424 9.171 25 HB1 ALA 34 1HB ALA 34 -0.162 8.687 9.916 26 HB2 ALA 34 2HB ALA 34 -1.755 9.331 9.463 27 HB3 ALA 34 3HB ALA 34 -1.602 8.107 10.744 28 H ALA 35 H ALA 35 -2.984 8.518 7.144 29 HA ALA 35 HA ALA 35 -5.471 7.222 7.760 30 HB1 ALA 35 1HB ALA 35 -4.641 8.371 5.073 31 HB2 ALA 35 2HB ALA 35 -6.270 8.151 5.700 32 HB3 ALA 35 3HB ALA 35 -5.209 9.366 6.445 33 H ILE 36 H ILE 36 -2.920 6.381 5.273 34 HA ILE 36 HA ILE 36 -4.261 4.028 4.435 35 HB ILE 36 HB ILE 36 -1.446 4.985 4.250 36 HG12 ILE 36 2HG1 ILE 36 -3.544 3.955 2.313 37 HG13 ILE 36 3HG1 ILE 36 -3.173 5.643 2.665 38 HG21 ILE 36 1HG2 ILE 36 -0.600 2.936 3.216 39 HG22 ILE 36 2HG2 ILE 36 -1.028 2.631 4.876 40 HG23 ILE 36 3HG2 ILE 36 -2.128 2.100 3.579 41 HD11 ILE 36 1HD1 ILE 36 -1.349 3.640 1.274 42 HD12 ILE 36 2HD1 ILE 36 -2.205 4.990 0.536 43 HD13 ILE 36 3HD1 ILE 36 -0.890 5.313 1.696 44 H ARG 37 H ARG 37 -1.919 4.358 7.140 45 HA ARG 37 HA ARG 37 -1.908 1.651 8.037 46 HB2 ARG 37 2HB ARG 37 -1.851 4.289 9.579 47 HB3 ARG 37 3HB ARG 37 -2.099 2.786 10.440 48 HG2 ARG 37 2HG ARG 37 0.176 3.230 10.571 49 HG3 ARG 37 3HG ARG 37 -0.100 1.892 9.440 50 HD2 ARG 37 2HD ARG 37 0.330 3.375 7.537 51 HD3 ARG 37 3HD ARG 37 0.335 4.778 8.608 52 HE ARG 37 HE ARG 37 2.529 2.798 8.296 53 HH11 ARG 37 1HH1 ARG 37 1.577 5.560 10.270 54 HH12 ARG 37 2HH1 ARG 37 3.205 6.170 10.244 55 HH21 ARG 37 1HH2 ARG 37 4.493 3.537 8.562 56 HH22 ARG 37 2HH2 ARG 37 4.795 5.151 9.194 57 H THR 38 H THR 38 -4.089 4.073 9.271 58 HA THR 38 HA THR 38 -5.832 2.188 10.500 59 HB THR 38 HB THR 38 -6.500 5.033 9.699 60 HG1 THR 38 1HG THR 38 -5.845 5.313 11.899 61 HG21 THR 38 1HG2 THR 38 -8.040 5.009 11.619 62 HG22 THR 38 2HG2 THR 38 -7.677 3.300 11.930 63 HG23 THR 38 3HG2 THR 38 -8.545 3.778 10.456 64 H LYS 39 H LYS 39 -6.365 3.697 7.271 65 HA LYS 39 HA LYS 39 -8.949 2.453 6.967 66 HB2 LYS 39 2HB LYS 39 -7.723 4.568 5.790 67 HB3 LYS 39 3HB LYS 39 -7.489 3.370 4.523 68 HG2 LYS 39 2HG LYS 39 -10.081 4.345 5.794 69 HG3 LYS 39 3HG LYS 39 -9.468 4.754 4.200 70 HD2 LYS 39 2HD LYS 39 -9.767 2.310 3.539 71 HD3 LYS 39 3HD LYS 39 -10.574 2.079 5.115 72 HE2 LYS 39 2HE LYS 39 -12.028 4.107 4.490 73 HE3 LYS 39 3HE LYS 39 -11.397 3.944 2.843 74 HZ1 LYS 39 1HZ LYS 39 -12.875 1.875 4.370 75 HZ2 LYS 39 2HZ LYS 39 -12.357 1.676 2.808 76 HZ3 LYS 39 3HZ LYS 39 -13.511 2.803 3.206 77 H LEU 40 H LEU 40 -5.654 1.448 5.848 78 HA LEU 40 HA LEU 40 -6.736 -0.893 4.492 79 HB2 LEU 40 2HB LEU 40 -3.931 -0.072 5.316 80 HB3 LEU 40 3HB LEU 40 -4.287 -1.626 4.626 81 HG LEU 40 HG LEU 40 -3.400 0.126 3.079 82 HD11 LEU 40 1HD1 LEU 40 -4.851 -0.564 1.186 83 HD12 LEU 40 2HD1 LEU 40 -6.044 -1.181 2.342 84 HD13 LEU 40 3HD1 LEU 40 -4.418 -1.905 2.247 85 HD21 LEU 40 1HD2 LEU 40 -4.711 2.097 3.651 86 HD22 LEU 40 2HD2 LEU 40 -6.198 1.300 3.063 87 HD23 LEU 40 3HD2 LEU 40 -4.879 1.693 1.955 88 H GLU 41 H GLU 41 -5.553 -0.231 7.843 89 HA GLU 41 HA GLU 41 -5.934 -2.872 8.810 90 HB2 GLU 41 2HB GLU 41 -6.088 -0.182 10.123 91 HB3 GLU 41 3HB GLU 41 -6.475 -1.631 11.024 92 HG2 GLU 41 2HG GLU 41 -3.868 -1.491 9.483 93 HG3 GLU 41 3HG GLU 41 -4.047 -0.651 11.016 94 H GLU 42 H GLU 42 -8.407 -0.281 8.269 95 HA GLU 42 HA GLU 42 -10.621 -1.841 9.217 96 HB2 GLU 42 2HB GLU 42 -11.079 0.397 9.106 97 HB3 GLU 42 3HB GLU 42 -10.129 0.664 7.660 98 HG2 GLU 42 2HG GLU 42 -11.778 -0.353 6.269 99 HG3 GLU 42 3HG GLU 42 -12.838 -0.688 7.659 100 H ALA 43 H ALA 43 -9.165 -1.493 5.959 101 HA ALA 43 HA ALA 43 -11.234 -2.953 4.651 102 HB1 ALA 43 1HB ALA 43 -9.960 -1.109 3.647 103 HB2 ALA 43 2HB ALA 43 -8.480 -2.100 3.683 104 HB3 ALA 43 3HB ALA 43 -9.852 -2.575 2.656 105 H LEU 44 H LEU 44 -7.899 -3.997 5.517 106 HA LEU 44 HA LEU 44 -8.788 -6.806 5.152 107 HB2 LEU 44 2HB LEU 44 -6.559 -7.384 4.192 108 HB3 LEU 44 3HB LEU 44 -7.672 -6.562 3.145 109 HG LEU 44 HG LEU 44 -5.858 -4.673 4.552 110 HD11 LEU 44 1HD1 LEU 44 -3.875 -5.261 3.188 111 HD12 LEU 44 2HD1 LEU 44 -4.690 -6.765 2.691 112 HD13 LEU 44 3HD1 LEU 44 -4.295 -6.487 4.402 113 HD21 LEU 44 1HD2 LEU 44 -6.438 -5.235 1.609 114 HD22 LEU 44 2HD2 LEU 44 -5.575 -3.827 2.250 115 HD23 LEU 44 3HD2 LEU 44 -7.294 -4.060 2.621 116 H SER 45 H SER 45 -7.417 -4.623 7.299 117 HA SER 45 HA SER 45 -6.045 -4.776 9.108 118 HB2 SER 45 2HB SER 45 -7.138 -7.400 9.929 119 HB3 SER 45 3HB SER 45 -6.680 -6.012 10.775 120 HG SER 45 HG SER 45 -8.461 -4.887 9.680 121 HA PRO 46 HA PRO 46 -2.806 -7.174 6.739 122 HB2 PRO 46 2HB PRO 46 -1.250 -4.806 7.724 123 HB3 PRO 46 3HB PRO 46 -1.159 -5.549 6.166 124 HG2 PRO 46 2HG PRO 46 -2.498 -3.239 6.447 125 HG3 PRO 46 3HG PRO 46 -3.164 -4.536 5.406 126 HD2 PRO 46 2HD PRO 46 -3.947 -3.769 8.201 127 HD3 PRO 46 3HD PRO 46 -4.965 -4.286 6.829 128 H GLU 47 H GLU 47 -0.825 -8.279 7.447 129 HA GLU 47 HA GLU 47 -0.201 -8.209 10.321 130 HB2 GLU 47 2HB GLU 47 -0.010 -10.207 8.358 131 HB3 GLU 47 3HB GLU 47 1.610 -9.615 8.546 132 HG2 GLU 47 2HG GLU 47 1.579 -11.255 9.993 133 HG3 GLU 47 3HG GLU 47 1.427 -9.852 11.036 134 H VAL 48 H VAL 48 1.228 -6.977 7.187 135 HA VAL 48 HA VAL 48 2.430 -4.978 9.048 136 HB VAL 48 HB VAL 48 4.389 -4.799 7.658 137 HG11 VAL 48 1HG1 VAL 48 5.663 -6.609 8.160 138 HG12 VAL 48 2HG1 VAL 48 4.562 -6.342 9.530 139 HG13 VAL 48 3HG1 VAL 48 4.274 -7.717 8.382 140 HG21 VAL 48 1HG2 VAL 48 3.046 -6.827 6.086 141 HG22 VAL 48 2HG2 VAL 48 4.017 -5.458 5.510 142 HG23 VAL 48 3HG2 VAL 48 4.811 -6.940 6.120 143 H LEU 49 H LEU 49 2.752 -3.048 8.230 144 HA LEU 49 HA LEU 49 3.245 -3.131 5.499 145 HB2 LEU 49 2HB LEU 49 2.262 -0.845 4.862 146 HB3 LEU 49 3HB LEU 49 1.296 -2.298 4.824 147 HG LEU 49 HG LEU 49 0.404 -1.612 7.164 148 HD11 LEU 49 1HD1 LEU 49 1.869 0.202 7.786 149 HD12 LEU 49 2HD1 LEU 49 0.298 0.889 7.420 150 HD13 LEU 49 3HD1 LEU 49 1.604 1.033 6.223 151 HD21 LEU 49 1HD2 LEU 49 -0.323 -0.108 4.656 152 HD22 LEU 49 2HD2 LEU 49 -1.332 -0.281 6.120 153 HD23 LEU 49 3HD2 LEU 49 -0.892 -1.721 5.187 154 H GLU 50 H GLU 50 5.049 -2.290 5.021 155 HA GLU 50 HA GLU 50 6.197 -0.132 6.730 156 HB2 GLU 50 2HB GLU 50 7.693 -2.289 5.275 157 HB3 GLU 50 3HB GLU 50 8.453 -0.863 5.946 158 HG2 GLU 50 2HG GLU 50 6.711 -2.202 7.890 159 HG3 GLU 50 3HG GLU 50 7.995 -3.260 7.339 160 H LEU 51 H LEU 51 6.632 1.653 5.719 161 HA LEU 51 HA LEU 51 6.535 1.716 2.748 162 HB2 LEU 51 2HB LEU 51 4.517 2.592 2.436 163 HB3 LEU 51 3HB LEU 51 4.157 1.687 3.896 164 HG LEU 51 HG LEU 51 4.789 4.602 3.627 165 HD11 LEU 51 1HD1 LEU 51 2.380 4.995 4.186 166 HD12 LEU 51 2HD1 LEU 51 2.113 3.242 4.123 167 HD13 LEU 51 3HD1 LEU 51 2.606 4.140 2.667 168 HD21 LEU 51 1HD2 LEU 51 4.005 4.804 5.991 169 HD22 LEU 51 2HD2 LEU 51 5.393 3.706 5.871 170 HD23 LEU 51 3HD2 LEU 51 3.757 3.036 6.018 171 H ARG 52 H ARG 52 6.727 3.692 1.707 172 HA ARG 52 HA ARG 52 8.282 5.830 3.082 173 HB2 ARG 52 2HB ARG 52 9.809 4.083 2.048 174 HB3 ARG 52 3HB ARG 52 9.011 4.338 0.505 175 HG2 ARG 52 2HG ARG 52 11.089 5.479 0.446 176 HG3 ARG 52 3HG ARG 52 9.839 6.726 0.531 177 HD2 ARG 52 2HD ARG 52 10.274 6.959 2.970 178 HD3 ARG 52 3HD ARG 52 11.446 5.661 2.897 179 HE ARG 52 HE ARG 52 12.961 7.002 1.693 180 HH11 ARG 52 1HH1 ARG 52 10.147 8.908 2.683 181 HH12 ARG 52 2HH1 ARG 52 10.943 10.394 2.215 182 HH21 ARG 52 1HH2 ARG 52 13.832 8.993 1.130 183 HH22 ARG 52 2HH2 ARG 52 12.886 10.448 1.401 184 H ASN 53 H ASN 53 7.602 7.891 2.314 185 HA ASN 53 HA ASN 53 5.951 7.878 -0.129 186 HB2 ASN 53 2HB ASN 53 4.993 9.778 0.460 187 HB3 ASN 53 3HB ASN 53 5.138 8.928 1.964 188 HD21 ASN 53 1HD2 ASN 53 5.192 10.589 3.486 189 HD22 ASN 53 2HD2 ASN 53 6.267 11.973 3.320 190 H GLU 54 H GLU 54 6.791 8.121 -1.984 191 HA GLU 54 HA GLU 54 9.602 8.753 -2.447 192 HB2 GLU 54 2HB GLU 54 8.317 7.100 -3.756 193 HB3 GLU 54 3HB GLU 54 7.214 8.375 -4.293 194 HG2 GLU 54 2HG GLU 54 9.049 9.474 -5.527 195 HG3 GLU 54 3HG GLU 54 10.192 8.261 -4.922 196 H SER 55 H SER 55 6.720 10.501 -2.147 197 HA SER 55 HA SER 55 6.794 12.643 -3.837 198 HB2 SER 55 2HB SER 55 5.071 11.797 -2.406 199 HB3 SER 55 3HB SER 55 5.842 12.528 -0.977 200 HG SER 55 HG SER 55 4.734 13.880 -3.254 201 H GLY 56 H GLY 56 9.165 12.267 -1.285 202 HA2 GLY 56 2HA GLY 56 9.816 15.092 -0.993 203 HA3 GLY 56 3HA GLY 56 10.866 13.709 -0.656 204 H GLY 57 H GLY 57 10.268 12.764 -3.540 205 HA2 GLY 57 2HA GLY 57 12.438 14.142 -4.925 206 HA3 GLY 57 3HA GLY 57 11.581 12.699 -5.438 207 H HIS 58 H HIS 58 9.600 15.518 -4.659 208 HA HIS 58 HA HIS 58 9.118 15.946 -7.588 209 HB2 HIS 58 2HB HIS 58 7.099 15.418 -5.383 210 HB3 HIS 58 3HB HIS 58 6.675 16.082 -6.955 211 HD1 HIS 58 1HD HIS 58 6.926 14.518 -9.113 212 HD2 HIS 58 2HD HIS 58 7.982 12.739 -5.469 213 HE1 HIS 58 1HE HIS 58 7.053 12.029 -9.549 214 H ALA 59 H ALA 59 10.137 17.670 -4.950 215 HA ALA 59 HA ALA 59 10.064 19.758 -4.231 216 HB1 ALA 59 1HB ALA 59 10.225 21.551 -5.860 217 HB2 ALA 59 2HB ALA 59 11.145 20.136 -6.401 218 HB3 ALA 59 3HB ALA 59 9.565 20.497 -7.130 219 H VAL 60 H VAL 60 7.692 18.409 -3.759 220 HA VAL 60 HA VAL 60 5.457 20.307 -4.214 221 HB VAL 60 HB VAL 60 4.047 18.638 -3.035 222 HG11 VAL 60 1HG1 VAL 60 4.054 16.996 -4.868 223 HG12 VAL 60 2HG1 VAL 60 4.223 18.651 -5.475 224 HG13 VAL 60 3HG1 VAL 60 5.639 17.590 -5.405 225 HG21 VAL 60 1HG2 VAL 60 6.384 16.747 -3.141 226 HG22 VAL 60 2HG2 VAL 60 5.845 17.575 -1.659 227 HG23 VAL 60 3HG2 VAL 60 4.748 16.476 -2.504 228 HA PRO 61 HA PRO 61 5.659 22.571 -0.597 229 HB2 PRO 61 2HB PRO 61 2.842 21.771 0.171 230 HB3 PRO 61 3HB PRO 61 3.571 23.408 0.092 231 HG2 PRO 61 2HG PRO 61 2.002 22.575 -1.931 232 HG3 PRO 61 3HG PRO 61 3.578 23.364 -2.297 233 HD2 PRO 61 2HD PRO 61 2.956 20.410 -2.218 234 HD3 PRO 61 3HD PRO 61 3.789 21.351 -3.491 235 HA PRO 62 HA PRO 62 6.464 20.020 3.065 236 HB2 PRO 62 2HB PRO 62 6.368 21.889 5.068 237 HB3 PRO 62 3HB PRO 62 7.759 21.673 3.963 238 HG2 PRO 62 2HG PRO 62 5.528 23.708 3.768 239 HG3 PRO 62 3HG PRO 62 7.288 23.958 3.557 240 HD2 PRO 62 2HD PRO 62 5.583 23.654 1.447 241 HD3 PRO 62 3HD PRO 62 7.254 23.024 1.397 242 H GLY 63 H GLY 63 5.152 18.834 4.307 243 HA2 GLY 63 2HA GLY 63 3.227 18.116 5.394 244 HA3 GLY 63 3HA GLY 63 2.398 19.621 5.006 245 H SER 64 H SER 64 3.480 18.801 1.972 246 HA SER 64 HA SER 64 1.087 17.187 1.337 247 HB2 SER 64 2HB SER 64 3.106 18.583 -0.445 248 HB3 SER 64 3HB SER 64 1.751 17.601 -1.013 249 HG SER 64 HG SER 64 0.729 19.431 -0.895 250 H GLU 65 H GLU 65 1.179 15.080 1.201 251 HA GLU 65 HA GLU 65 3.680 13.690 0.248 252 HB2 GLU 65 2HB GLU 65 1.473 12.560 1.999 253 HB3 GLU 65 3HB GLU 65 2.839 11.697 1.278 254 HG2 GLU 65 2HG GLU 65 3.487 12.056 3.470 255 HG3 GLU 65 3HG GLU 65 4.395 13.239 2.515 256 H THR 66 H THR 66 3.176 13.869 -2.000 257 HA THR 66 HA THR 66 0.509 13.195 -2.989 258 HB THR 66 HB THR 66 1.485 13.617 -5.215 259 HG1 THR 66 1HG THR 66 3.505 14.042 -5.484 260 HG21 THR 66 1HG2 THR 66 1.838 15.998 -4.965 261 HG22 THR 66 2HG2 THR 66 2.186 15.824 -3.232 262 HG23 THR 66 3HG2 THR 66 0.553 15.498 -3.860 263 H HIS 67 H HIS 67 3.430 11.448 -2.497 264 HA HIS 67 HA HIS 67 2.833 9.455 -4.642 265 HB2 HIS 67 2HB HIS 67 4.690 11.609 -4.585 266 HB3 HIS 67 3HB HIS 67 5.633 10.197 -4.277 267 HD1 HIS 67 1HD HIS 67 6.315 9.056 -6.716 268 HD2 HIS 67 2HD HIS 67 2.835 11.383 -6.601 269 HE1 HIS 67 1HE HIS 67 5.602 9.363 -9.134 270 H PHE 68 H PHE 68 3.068 7.397 -4.032 271 HA PHE 68 HA PHE 68 4.516 6.851 -1.460 272 HB2 PHE 68 2HB PHE 68 1.657 6.542 -2.255 273 HB3 PHE 68 3HB PHE 68 2.260 5.365 -1.166 274 HD1 PHE 68 1HD PHE 68 3.475 6.123 1.014 275 HD2 PHE 68 2HD PHE 68 1.197 8.795 -1.493 276 HE1 PHE 68 1HE PHE 68 3.193 7.659 2.927 277 HE2 PHE 68 2HE PHE 68 0.980 10.366 0.406 278 HZ PHE 68 HZ PHE 68 1.941 9.799 2.624 279 H ARG 69 H ARG 69 5.622 5.156 -1.136 280 HA ARG 69 HA ARG 69 5.424 2.720 -2.882 281 HB2 ARG 69 2HB ARG 69 7.752 4.221 -1.745 282 HB3 ARG 69 3HB ARG 69 7.813 2.483 -1.552 283 HG2 ARG 69 2HG ARG 69 8.982 3.224 -3.571 284 HG3 ARG 69 3HG ARG 69 7.676 2.091 -3.909 285 HD2 ARG 69 2HD ARG 69 6.288 3.760 -4.872 286 HD3 ARG 69 3HD ARG 69 7.177 5.056 -4.085 287 HE ARG 69 HE ARG 69 8.444 5.242 -5.943 288 HH11 ARG 69 1HH1 ARG 69 7.881 1.710 -5.919 289 HH12 ARG 69 2HH1 ARG 69 8.478 1.639 -7.551 290 HH21 ARG 69 1HH2 ARG 69 9.219 4.968 -7.813 291 HH22 ARG 69 2HH2 ARG 69 9.332 3.384 -8.569 292 H VAL 70 H VAL 70 4.255 1.220 -1.863 293 HA VAL 70 HA VAL 70 4.541 1.002 1.140 294 HB VAL 70 HB VAL 70 2.126 -0.051 -0.317 295 HG11 VAL 70 1HG1 VAL 70 1.129 -0.008 1.904 296 HG12 VAL 70 2HG1 VAL 70 2.670 -0.866 2.033 297 HG13 VAL 70 3HG1 VAL 70 2.547 0.803 2.583 298 HG21 VAL 70 1HG2 VAL 70 0.889 1.970 0.492 299 HG22 VAL 70 2HG2 VAL 70 2.452 2.725 0.881 300 HG23 VAL 70 3HG2 VAL 70 2.041 2.325 -0.798 301 H ALA 71 H ALA 71 5.296 -0.764 1.967 302 HA ALA 71 HA ALA 71 4.998 -3.313 0.395 303 HB1 ALA 71 1HB ALA 71 6.888 -4.258 1.616 304 HB2 ALA 71 2HB ALA 71 7.449 -2.730 0.906 305 HB3 ALA 71 3HB ALA 71 7.029 -2.821 2.642 306 H VAL 72 H VAL 72 3.772 -4.876 1.153 307 HA VAL 72 HA VAL 72 2.510 -4.430 3.766 308 HB VAL 72 HB VAL 72 1.313 -2.994 2.211 309 HG11 VAL 72 1HG1 VAL 72 0.226 -3.721 0.197 310 HG12 VAL 72 2HG1 VAL 72 1.986 -3.817 0.044 311 HG13 VAL 72 3HG1 VAL 72 1.043 -5.284 0.339 312 HG21 VAL 72 1HG2 VAL 72 -0.051 -5.543 2.736 313 HG22 VAL 72 2HG2 VAL 72 0.106 -4.140 3.806 314 HG23 VAL 72 3HG2 VAL 72 -0.843 -3.999 2.294 315 H VAL 73 H VAL 73 1.683 -6.229 4.632 316 HA VAL 73 HA VAL 73 1.628 -8.700 3.043 317 HB VAL 73 HB VAL 73 3.708 -8.403 4.785 318 HG11 VAL 73 1HG1 VAL 73 2.398 -8.648 6.834 319 HG12 VAL 73 2HG1 VAL 73 1.785 -10.211 6.267 320 HG13 VAL 73 3HG1 VAL 73 3.515 -9.961 6.604 321 HG21 VAL 73 1HG2 VAL 73 3.785 -10.967 4.570 322 HG22 VAL 73 2HG2 VAL 73 2.184 -10.831 3.855 323 HG23 VAL 73 3HG2 VAL 73 3.597 -10.075 3.073 324 H SER 74 H SER 74 -0.052 -9.873 3.233 325 HA SER 74 HA SER 74 -1.744 -9.792 5.663 326 HB2 SER 74 2HB SER 74 -2.577 -7.878 4.428 327 HB3 SER 74 3HB SER 74 -2.674 -8.825 2.932 328 HG SER 74 HG SER 74 -4.185 -9.256 5.329 329 H SER 75 H SER 75 -2.841 -11.645 5.977 330 HA SER 75 HA SER 75 -2.585 -13.961 4.332 331 HB2 SER 75 2HB SER 75 -4.411 -14.883 5.700 332 HB3 SER 75 3HB SER 75 -3.187 -14.096 6.705 333 HG SER 75 HG SER 75 -5.621 -13.661 6.959 334 H ARG 76 H ARG 76 -4.671 -11.212 3.911 335 HA ARG 76 HA ARG 76 -6.732 -12.590 2.348 336 HB2 ARG 76 2HB ARG 76 -6.052 -9.636 2.731 337 HB3 ARG 76 3HB ARG 76 -7.306 -10.219 1.659 338 HG2 ARG 76 2HG ARG 76 -8.486 -9.751 3.595 339 HG3 ARG 76 3HG ARG 76 -8.271 -11.510 3.638 340 HD2 ARG 76 2HD ARG 76 -6.463 -11.273 5.285 341 HD3 ARG 76 3HD ARG 76 -6.543 -9.505 5.149 342 HE ARG 76 HE ARG 76 -9.032 -9.939 5.923 343 HH11 ARG 76 1HH1 ARG 76 -6.056 -11.070 7.332 344 HH12 ARG 76 2HH1 ARG 76 -6.742 -11.224 8.930 345 HH21 ARG 76 1HH2 ARG 76 -9.927 -10.296 7.864 346 HH22 ARG 76 2HH2 ARG 76 -8.935 -10.855 9.194 347 H PHE 77 H PHE 77 -3.587 -11.297 1.543 348 HA PHE 77 HA PHE 77 -4.238 -10.909 -1.245 349 HB2 PHE 77 2HB PHE 77 -1.598 -10.825 0.230 350 HB3 PHE 77 3HB PHE 77 -1.829 -10.337 -1.412 351 HD1 PHE 77 1HD PHE 77 -0.487 -8.664 0.538 352 HD2 PHE 77 2HD PHE 77 -4.634 -8.791 -0.648 353 HE1 PHE 77 1HE PHE 77 -0.699 -6.217 0.936 354 HE2 PHE 77 2HE PHE 77 -4.835 -6.372 -0.193 355 HZ PHE 77 HZ PHE 77 -2.837 -5.071 0.606 356 H GLU 78 H GLU 78 -4.203 -13.793 0.100 357 HA GLU 78 HA GLU 78 -2.022 -14.984 -1.357 358 HB2 GLU 78 2HB GLU 78 -2.444 -16.922 -0.091 359 HB3 GLU 78 3HB GLU 78 -2.555 -15.537 0.975 360 HG2 GLU 78 2HG GLU 78 -5.086 -15.703 0.748 361 HG3 GLU 78 3HG GLU 78 -4.844 -17.225 -0.114 362 H GLY 79 H GLY 79 -2.006 -16.641 -2.867 363 HA2 GLY 79 2HA GLY 79 -2.925 -18.307 -4.199 364 HA3 GLY 79 3HA GLY 79 -4.535 -17.632 -4.017 365 H LEU 80 H LEU 80 -1.850 -15.589 -5.178 366 HA LEU 80 HA LEU 80 -2.988 -15.601 -7.945 367 HB2 LEU 80 2HB LEU 80 -2.117 -13.088 -6.582 368 HB3 LEU 80 3HB LEU 80 -3.182 -13.298 -7.941 369 HG LEU 80 HG LEU 80 -4.597 -14.394 -5.969 370 HD11 LEU 80 1HD1 LEU 80 -2.943 -12.248 -4.592 371 HD12 LEU 80 2HD1 LEU 80 -2.839 -13.954 -4.246 372 HD13 LEU 80 3HD1 LEU 80 -4.328 -13.102 -3.872 373 HD21 LEU 80 1HD2 LEU 80 -4.458 -11.407 -6.358 374 HD22 LEU 80 2HD2 LEU 80 -5.797 -12.306 -5.626 375 HD23 LEU 80 3HD2 LEU 80 -5.417 -12.545 -7.342 376 H SER 81 H SER 81 -1.512 -14.720 -9.569 377 HA SER 81 HA SER 81 1.380 -14.847 -9.054 378 HB2 SER 81 2HB SER 81 0.608 -15.424 -11.246 379 HB3 SER 81 3HB SER 81 -0.335 -13.933 -11.372 380 HG SER 81 HG SER 81 1.306 -13.226 -12.338 381 HA PRO 82 HA PRO 82 1.755 -10.814 -7.235 382 HB2 PRO 82 2HB PRO 82 4.228 -10.505 -8.945 383 HB3 PRO 82 3HB PRO 82 3.976 -10.070 -7.227 384 HG2 PRO 82 2HG PRO 82 5.177 -12.385 -7.829 385 HG3 PRO 82 3HG PRO 82 3.908 -12.352 -6.563 386 HD2 PRO 82 2HD PRO 82 3.674 -13.293 -9.430 387 HD3 PRO 82 3HD PRO 82 2.974 -13.984 -7.932 388 H LEU 83 H LEU 83 2.279 -10.680 -10.829 389 HA LEU 83 HA LEU 83 1.420 -7.942 -11.095 390 HB2 LEU 83 2HB LEU 83 1.565 -10.308 -12.975 391 HB3 LEU 83 3HB LEU 83 0.879 -8.780 -13.513 392 HG LEU 83 HG LEU 83 3.692 -9.007 -12.363 393 HD11 LEU 83 1HD1 LEU 83 3.483 -10.367 -14.417 394 HD12 LEU 83 2HD1 LEU 83 4.453 -8.916 -14.704 395 HD13 LEU 83 3HD1 LEU 83 2.772 -8.976 -15.270 396 HD21 LEU 83 1HD2 LEU 83 2.731 -6.729 -12.296 397 HD22 LEU 83 2HD2 LEU 83 2.314 -6.848 -14.013 398 HD23 LEU 83 3HD2 LEU 83 4.015 -6.842 -13.497 399 H GLN 84 H GLN 84 -0.470 -10.953 -11.565 400 HA GLN 84 HA GLN 84 -3.056 -9.879 -11.910 401 HB2 GLN 84 2HB GLN 84 -2.549 -12.220 -12.214 402 HB3 GLN 84 3HB GLN 84 -1.985 -12.372 -10.565 403 HG2 GLN 84 2HG GLN 84 -4.397 -11.924 -9.805 404 HG3 GLN 84 3HG GLN 84 -4.853 -12.150 -11.494 405 HE21 GLN 84 1HE2 GLN 84 -5.974 -13.897 -9.738 406 HE22 GLN 84 2HE2 GLN 84 -5.184 -15.470 -9.857 407 H ARG 85 H ARG 85 -1.398 -10.672 -8.842 408 HA ARG 85 HA ARG 85 -3.288 -9.750 -6.938 409 HB2 ARG 85 2HB ARG 85 -1.514 -10.970 -6.037 410 HB3 ARG 85 3HB ARG 85 -0.352 -10.264 -7.119 411 HG2 ARG 85 2HG ARG 85 0.364 -9.569 -5.085 412 HG3 ARG 85 3HG ARG 85 -0.371 -8.146 -5.751 413 HD2 ARG 85 2HD ARG 85 -1.604 -10.118 -3.749 414 HD3 ARG 85 3HD ARG 85 -0.906 -8.579 -3.311 415 HE ARG 85 HE ARG 85 -2.780 -7.497 -4.671 416 HH11 ARG 85 1HH1 ARG 85 -3.336 -10.753 -3.535 417 HH12 ARG 85 2HH1 ARG 85 -5.045 -10.483 -3.338 418 HH21 ARG 85 1HH2 ARG 85 -5.009 -7.174 -4.157 419 HH22 ARG 85 2HH2 ARG 85 -5.853 -8.499 -3.450 420 H HIS 86 H HIS 86 -0.566 -7.872 -8.313 421 HA HIS 86 HA HIS 86 -1.223 -5.494 -6.851 422 HB2 HIS 86 2HB HIS 86 0.515 -6.332 -9.112 423 HB3 HIS 86 3HB HIS 86 0.281 -4.578 -8.900 424 HD1 HIS 86 1HD HIS 86 3.073 -4.932 -8.561 425 HD2 HIS 86 2HD HIS 86 0.464 -6.218 -5.533 426 HE1 HIS 86 1HE HIS 86 4.502 -5.307 -6.484 427 H ARG 87 H ARG 87 -1.926 -6.446 -10.222 428 HA ARG 87 HA ARG 87 -3.555 -4.236 -10.962 429 HB2 ARG 87 2HB ARG 87 -3.537 -7.175 -11.778 430 HB3 ARG 87 3HB ARG 87 -4.562 -5.963 -12.544 431 HG2 ARG 87 2HG ARG 87 -2.602 -4.642 -13.224 432 HG3 ARG 87 3HG ARG 87 -1.517 -5.732 -12.366 433 HD2 ARG 87 2HD ARG 87 -1.440 -6.213 -14.708 434 HD3 ARG 87 3HD ARG 87 -2.176 -7.589 -13.869 435 HE ARG 87 HE ARG 87 -4.392 -6.165 -14.607 436 HH11 ARG 87 1HH1 ARG 87 -1.629 -7.115 -16.601 437 HH12 ARG 87 2HH1 ARG 87 -2.618 -7.111 -18.043 438 HH21 ARG 87 1HH2 ARG 87 -5.496 -6.087 -16.418 439 HH22 ARG 87 2HH2 ARG 87 -4.760 -6.536 -17.942 440 H LEU 88 H LEU 88 -4.513 -7.235 -9.190 441 HA LEU 88 HA LEU 88 -7.245 -6.461 -8.909 442 HB2 LEU 88 2HB LEU 88 -5.489 -8.564 -7.781 443 HB3 LEU 88 3HB LEU 88 -6.630 -7.935 -6.611 444 HG LEU 88 HG LEU 88 -8.477 -8.264 -8.304 445 HD11 LEU 88 1HD1 LEU 88 -6.387 -9.988 -9.714 446 HD12 LEU 88 2HD1 LEU 88 -6.992 -8.439 -10.332 447 HD13 LEU 88 3HD1 LEU 88 -8.096 -9.802 -10.157 448 HD21 LEU 88 1HD2 LEU 88 -8.090 -9.814 -6.423 449 HD22 LEU 88 2HD2 LEU 88 -6.971 -10.752 -7.442 450 HD23 LEU 88 3HD2 LEU 88 -8.689 -10.651 -7.861 451 H VAL 89 H VAL 89 -4.423 -5.626 -6.785 452 HA VAL 89 HA VAL 89 -6.083 -4.175 -4.890 453 HB VAL 89 HB VAL 89 -3.266 -3.316 -5.627 454 HG11 VAL 89 1HG1 VAL 89 -4.867 -3.187 -3.037 455 HG12 VAL 89 2HG1 VAL 89 -3.211 -2.590 -3.263 456 HG13 VAL 89 3HG1 VAL 89 -4.548 -1.816 -4.119 457 HG21 VAL 89 1HG2 VAL 89 -3.033 -5.655 -5.121 458 HG22 VAL 89 2HG2 VAL 89 -2.481 -4.742 -3.729 459 HG23 VAL 89 3HG2 VAL 89 -4.081 -5.503 -3.676 460 H HIS 90 H HIS 90 -4.680 -3.281 -7.973 461 HA HIS 90 HA HIS 90 -5.335 -0.466 -7.775 462 HB2 HIS 90 2HB HIS 90 -4.658 -2.087 -10.262 463 HB3 HIS 90 3HB HIS 90 -4.551 -0.347 -10.100 464 HD1 HIS 90 1HD HIS 90 -2.138 -1.901 -11.143 465 HD2 HIS 90 2HD HIS 90 -2.787 -0.986 -7.085 466 HE1 HIS 90 1HE HIS 90 0.158 -1.888 -10.037 467 H ALA 91 H ALA 91 -7.032 -3.241 -9.127 468 HA ALA 91 HA ALA 91 -9.219 -1.557 -10.189 469 HB1 ALA 91 1HB ALA 91 -8.820 -4.573 -10.026 470 HB2 ALA 91 2HB ALA 91 -10.190 -3.753 -10.797 471 HB3 ALA 91 3HB ALA 91 -8.552 -3.535 -11.444 472 H ALA 92 H ALA 92 -8.973 -4.170 -7.701 473 HA ALA 92 HA ALA 92 -11.637 -3.600 -6.770 474 HB1 ALA 92 1HB ALA 92 -9.549 -5.428 -5.525 475 HB2 ALA 92 2HB ALA 92 -11.302 -5.479 -5.306 476 HB3 ALA 92 3HB ALA 92 -10.606 -5.886 -6.888 477 H LEU 93 H LEU 93 -8.348 -2.588 -5.557 478 HA LEU 93 HA LEU 93 -9.801 -1.492 -3.164 479 HB2 LEU 93 2HB LEU 93 -7.394 -2.888 -3.280 480 HB3 LEU 93 3HB LEU 93 -6.894 -1.185 -3.168 481 HG LEU 93 HG LEU 93 -8.003 -0.878 -1.083 482 HD11 LEU 93 1HD1 LEU 93 -10.051 -2.162 -1.190 483 HD12 LEU 93 2HD1 LEU 93 -9.090 -2.860 0.105 484 HD13 LEU 93 3HD1 LEU 93 -9.148 -3.670 -1.476 485 HD21 LEU 93 1HD2 LEU 93 -6.556 -3.547 -1.095 486 HD22 LEU 93 2HD2 LEU 93 -6.775 -2.472 0.302 487 HD23 LEU 93 3HD2 LEU 93 -5.786 -1.942 -1.070 488 H ALA 94 H ALA 94 -9.610 -0.384 -6.083 489 HA ALA 94 HA ALA 94 -7.776 1.637 -6.062 490 HB1 ALA 94 1HB ALA 94 -10.498 1.712 -7.496 491 HB2 ALA 94 2HB ALA 94 -9.005 2.508 -8.037 492 HB3 ALA 94 3HB ALA 94 -9.135 0.736 -8.045 493 H GLU 95 H GLU 95 -11.130 2.062 -4.845 494 HA GLU 95 HA GLU 95 -10.506 4.927 -4.445 495 HB2 GLU 95 2HB GLU 95 -13.011 3.282 -3.874 496 HB3 GLU 95 3HB GLU 95 -12.860 5.017 -3.557 497 HG2 GLU 95 2HG GLU 95 -12.305 5.396 -5.967 498 HG3 GLU 95 3HG GLU 95 -12.602 3.688 -6.283 499 H GLU 96 H GLU 96 -10.092 2.034 -2.625 500 HA GLU 96 HA GLU 96 -10.265 3.235 -0.011 501 HB2 GLU 96 2HB GLU 96 -9.718 0.511 -1.254 502 HB3 GLU 96 3HB GLU 96 -9.766 0.860 0.437 503 HG2 GLU 96 2HG GLU 96 -12.163 1.970 -0.400 504 HG3 GLU 96 3HG GLU 96 -11.948 0.683 -1.564 505 H LEU 97 H LEU 97 -7.717 1.775 -2.172 506 HA LEU 97 HA LEU 97 -5.638 2.992 -0.431 507 HB2 LEU 97 2HB LEU 97 -5.540 0.662 -0.969 508 HB3 LEU 97 3HB LEU 97 -5.517 0.985 -2.703 509 HG LEU 97 HG LEU 97 -3.351 2.206 -2.429 510 HD11 LEU 97 1HD1 LEU 97 -2.000 1.929 -0.427 511 HD12 LEU 97 2HD1 LEU 97 -3.311 1.057 0.388 512 HD13 LEU 97 3HD1 LEU 97 -3.483 2.786 -0.015 513 HD21 LEU 97 1HD2 LEU 97 -3.390 -0.672 -1.466 514 HD22 LEU 97 2HD2 LEU 97 -1.957 0.203 -2.060 515 HD23 LEU 97 3HD2 LEU 97 -3.317 -0.086 -3.150 516 H GLY 98 H GLY 98 -7.005 3.317 -3.776 517 HA2 GLY 98 2HA GLY 98 -4.846 5.241 -4.478 518 HA3 GLY 98 3HA GLY 98 -6.172 4.664 -5.498 519 H GLY 99 H GLY 99 -7.173 5.315 -2.356 520 HA2 GLY 99 2HA GLY 99 -9.004 7.414 -3.148 521 HA3 GLY 99 3HA GLY 99 -8.705 6.864 -1.498 522 HA PRO 100 HA PRO 100 -6.549 10.567 -0.836 523 HB2 PRO 100 2HB PRO 100 -5.167 10.091 1.382 524 HB3 PRO 100 3HB PRO 100 -6.876 9.596 1.273 525 HG2 PRO 100 2HG PRO 100 -4.442 7.841 0.810 526 HG3 PRO 100 3HG PRO 100 -5.823 7.545 1.914 527 HD2 PRO 100 2HD PRO 100 -5.728 6.578 -0.678 528 HD3 PRO 100 3HD PRO 100 -7.249 7.011 0.153 529 H VAL 101 H VAL 101 -4.155 8.119 -1.863 530 HA VAL 101 HA VAL 101 -1.953 9.989 -2.001 531 HB VAL 101 HB VAL 101 -0.744 8.030 -2.691 532 HG11 VAL 101 1HG1 VAL 101 -1.354 8.234 -0.277 533 HG12 VAL 101 2HG1 VAL 101 -2.640 7.040 -0.578 534 HG13 VAL 101 3HG1 VAL 101 -0.944 6.607 -0.841 535 HG21 VAL 101 1HG2 VAL 101 -3.409 6.635 -3.034 536 HG22 VAL 101 2HG2 VAL 101 -2.180 6.950 -4.278 537 HG23 VAL 101 3HG2 VAL 101 -1.846 5.809 -2.973 538 H HIS 102 H HIS 102 -1.022 10.713 -4.015 539 HA HIS 102 HA HIS 102 -3.023 10.978 -6.210 540 HB2 HIS 102 2HB HIS 102 -0.491 12.557 -5.690 541 HB3 HIS 102 3HB HIS 102 -1.669 12.847 -6.952 542 HD1 HIS 102 1HD HIS 102 -3.662 14.405 -6.321 543 HD2 HIS 102 2HD HIS 102 -1.499 12.922 -3.045 544 HE1 HIS 102 1HE HIS 102 -4.519 15.663 -4.264 545 H ALA 103 H ALA 103 0.184 9.648 -5.537 546 HA ALA 103 HA ALA 103 -0.424 7.786 -7.683 547 HB1 ALA 103 1HB ALA 103 1.265 9.537 -8.649 548 HB2 ALA 103 2HB ALA 103 2.421 8.738 -7.537 549 HB3 ALA 103 3HB ALA 103 1.647 7.811 -8.814 550 H LEU 104 H LEU 104 0.715 5.771 -7.451 551 HA LEU 104 HA LEU 104 2.426 5.405 -5.177 552 HB2 LEU 104 2HB LEU 104 1.213 3.885 -3.996 553 HB3 LEU 104 3HB LEU 104 0.107 5.207 -4.245 554 HG LEU 104 HG LEU 104 0.065 2.570 -5.806 555 HD11 LEU 104 1HD1 LEU 104 -0.374 2.262 -3.394 556 HD12 LEU 104 2HD1 LEU 104 -1.827 1.981 -4.373 557 HD13 LEU 104 3HD1 LEU 104 -1.640 3.502 -3.468 558 HD21 LEU 104 1HD2 LEU 104 -2.020 4.795 -5.579 559 HD22 LEU 104 2HD2 LEU 104 -2.243 3.239 -6.402 560 HD23 LEU 104 3HD2 LEU 104 -1.073 4.397 -7.026 561 H ALA 105 H ALA 105 3.376 3.345 -4.908 562 HA ALA 105 HA ALA 105 2.894 1.288 -6.944 563 HB1 ALA 105 1HB ALA 105 5.031 2.422 -7.622 564 HB2 ALA 105 2HB ALA 105 5.693 1.990 -6.029 565 HB3 ALA 105 3HB ALA 105 5.236 0.717 -7.174 566 H ILE 106 H ILE 106 2.776 -0.755 -6.035 567 HA ILE 106 HA ILE 106 3.253 -0.958 -3.088 568 HB ILE 106 HB ILE 106 1.485 -2.723 -3.141 569 HG12 ILE 106 2HG1 ILE 106 0.654 -1.511 -5.802 570 HG13 ILE 106 3HG1 ILE 106 1.633 -2.981 -5.725 571 HG21 ILE 106 1HG2 ILE 106 -0.338 -1.124 -3.007 572 HG22 ILE 106 2HG2 ILE 106 1.122 -0.379 -2.347 573 HG23 ILE 106 3HG2 ILE 106 0.566 0.061 -3.972 574 HD11 ILE 106 1HD1 ILE 106 -1.126 -2.616 -4.531 575 HD12 ILE 106 2HD1 ILE 106 -0.703 -3.506 -6.000 576 HD13 ILE 106 3HD1 ILE 106 -0.122 -4.090 -4.419 577 H GLN 107 H GLN 107 3.933 -2.857 -2.194 578 HA GLN 107 HA GLN 107 4.818 -5.102 -3.945 579 HB2 GLN 107 2HB GLN 107 6.295 -3.750 -1.638 580 HB3 GLN 107 3HB GLN 107 6.677 -5.379 -2.165 581 HG2 GLN 107 2HG GLN 107 6.813 -2.929 -3.982 582 HG3 GLN 107 3HG GLN 107 8.181 -3.594 -3.102 583 HE21 GLN 107 1HE2 GLN 107 6.698 -3.642 -6.115 584 HE22 GLN 107 2HE2 GLN 107 7.345 -5.191 -6.665 585 H ALA 108 H ALA 108 3.071 -6.367 -3.540 586 HA ALA 108 HA ALA 108 2.064 -6.575 -0.753 587 HB1 ALA 108 1HB ALA 108 -0.123 -6.962 -1.796 588 HB2 ALA 108 2HB ALA 108 0.602 -5.447 -2.370 589 HB3 ALA 108 3HB ALA 108 0.632 -6.896 -3.402 590 H ARG 109 H ARG 109 2.122 -8.279 0.336 591 HA ARG 109 HA ARG 109 2.949 -10.898 -0.880 592 HB2 ARG 109 2HB ARG 109 4.169 -9.113 1.246 593 HB3 ARG 109 3HB ARG 109 4.714 -10.768 0.997 594 HG2 ARG 109 2HG ARG 109 5.605 -10.263 -1.163 595 HG3 ARG 109 3HG ARG 109 4.756 -8.721 -1.257 596 HD2 ARG 109 2HD ARG 109 6.044 -7.869 0.678 597 HD3 ARG 109 3HD ARG 109 7.021 -9.338 0.658 598 HE ARG 109 HE ARG 109 6.886 -8.055 -1.948 599 HH11 ARG 109 1HH1 ARG 109 8.783 -7.892 1.056 600 HH12 ARG 109 2HH1 ARG 109 9.934 -6.828 0.296 601 HH21 ARG 109 1HH2 ARG 109 8.542 -6.868 -2.810 602 HH22 ARG 109 2HH2 ARG 109 9.967 -6.560 -1.854 603 H THR 110 H THR 110 3.194 -12.594 0.794 604 HA THR 110 HA THR 110 0.798 -12.710 2.563 605 HB THR 110 HB THR 110 0.987 -15.167 2.348 606 HG1 THR 110 1HG THR 110 2.970 -15.655 1.794 607 HG21 THR 110 1HG2 THR 110 0.126 -15.278 0.085 608 HG22 THR 110 2HG2 THR 110 0.893 -13.730 -0.335 609 HG23 THR 110 3HG2 THR 110 -0.451 -13.773 0.826 610 HA PRO 111 HA PRO 111 2.814 -12.245 6.088 611 HB2 PRO 111 2HB PRO 111 1.746 -14.025 7.964 612 HB3 PRO 111 3HB PRO 111 1.007 -12.501 7.392 613 HG2 PRO 111 2HG PRO 111 0.492 -15.316 6.420 614 HG3 PRO 111 3HG PRO 111 -0.694 -14.011 6.735 615 HD2 PRO 111 2HD PRO 111 0.098 -14.553 4.221 616 HD3 PRO 111 3HD PRO 111 -0.078 -12.855 4.751 617 H ALA 112 H ALA 112 2.794 -15.880 5.915 618 HA ALA 112 HA ALA 112 5.200 -16.041 7.421 619 HB1 ALA 112 1HB ALA 112 4.031 -18.007 5.377 620 HB2 ALA 112 2HB ALA 112 5.150 -18.397 6.692 621 HB3 ALA 112 3HB ALA 112 3.507 -17.863 7.067 622 H GLN 113 H GLN 113 4.815 -15.282 3.981 623 HA GLN 113 HA GLN 113 7.618 -15.856 3.352 624 HB2 GLN 113 2HB GLN 113 7.047 -15.663 1.261 625 HB3 GLN 113 3HB GLN 113 5.380 -15.629 1.795 626 HG2 GLN 113 2HG GLN 113 5.581 -13.079 1.883 627 HG3 GLN 113 3HG GLN 113 7.143 -13.248 1.094 628 HE21 GLN 113 1HE2 GLN 113 6.584 -15.357 -0.809 629 HE22 GLN 113 2HE2 GLN 113 5.282 -14.799 -1.824 630 H TRP 114 H TRP 114 5.695 -12.937 4.311 631 HA TRP 114 HA TRP 114 7.985 -11.126 4.400 632 HB2 TRP 114 2HB TRP 114 5.736 -10.220 4.812 633 HB3 TRP 114 3HB TRP 114 5.560 -11.231 6.240 634 HD1 TRP 114 HD1 TRP 114 6.842 -10.426 8.409 635 HE1 TRP 114 HE1 TRP 114 7.992 -8.257 9.098 636 HE3 TRP 114 HE3 TRP 114 6.637 -8.051 3.921 637 HZ2 TRP 114 HZ2 TRP 114 8.703 -5.734 7.828 638 HZ3 TRP 114 HZ3 TRP 114 7.329 -5.666 3.754 639 HH2 TRP 114 HH2 TRP 114 8.445 -4.539 5.640 640 H ARG 115 H ARG 115 6.735 -13.560 6.647 641 HA ARG 115 HA ARG 115 8.558 -12.952 8.797 642 HB2 ARG 115 2HB ARG 115 7.227 -15.640 8.275 643 HB3 ARG 115 3HB ARG 115 8.043 -15.158 9.751 644 HG2 ARG 115 2HG ARG 115 6.352 -13.255 9.943 645 HG3 ARG 115 3HG ARG 115 5.485 -13.984 8.640 646 HD2 ARG 115 2HD ARG 115 4.404 -14.718 10.565 647 HD3 ARG 115 3HD ARG 115 5.309 -16.089 9.932 648 HE ARG 115 HE ARG 115 6.283 -14.384 12.221 649 HH11 ARG 115 1HH1 ARG 115 5.619 -17.651 11.036 650 HH12 ARG 115 2HH1 ARG 115 6.092 -18.340 12.570 651 HH21 ARG 115 1HH2 ARG 115 6.741 -15.316 14.049 652 HH22 ARG 115 2HH2 ARG 115 6.596 -17.052 14.270 653 H GLU 116 H GLU 116 8.894 -15.285 6.157 654 HA GLU 116 HA GLU 116 11.492 -16.195 7.060 655 HB2 GLU 116 2HB GLU 116 9.879 -17.620 5.856 656 HB3 GLU 116 3HB GLU 116 10.059 -16.612 4.413 657 HG2 GLU 116 2HG GLU 116 12.496 -17.203 4.343 658 HG3 GLU 116 3HG GLU 116 12.276 -18.213 5.773 659 H ASN 117 H ASN 117 10.555 -14.232 4.158 660 HA ASN 117 HA ASN 117 13.427 -13.381 3.888 661 HB2 ASN 117 2HB ASN 117 13.162 -15.477 2.712 662 HB3 ASN 117 3HB ASN 117 11.688 -14.923 1.921 663 HD21 ASN 117 1HD2 ASN 117 15.174 -13.896 2.198 664 HD22 ASN 117 2HD2 ASN 117 15.283 -13.564 0.471 665 H SER 118 H SER 118 10.115 -12.443 3.460 666 HA SER 118 HA SER 118 9.030 -10.861 2.326 667 HB2 SER 118 2HB SER 118 11.173 -9.452 3.383 668 HB3 SER 118 3HB SER 118 11.136 -8.927 1.697 669 HG SER 118 HG SER 118 9.651 -8.107 3.595 Start of MODEL 20 1 HA PRO 31 HA PRO 31 -2.677 12.586 5.738 2 HB2 PRO 31 2HB PRO 31 -0.782 10.882 7.335 3 HB3 PRO 31 3HB PRO 31 -0.461 12.412 6.457 4 HG2 PRO 31 2HG PRO 31 -0.645 12.393 9.164 5 HG3 PRO 31 3HG PRO 31 -1.427 13.708 8.220 6 HD2 PRO 31 2HD PRO 31 -2.693 11.169 9.306 7 HD3 PRO 31 3HD PRO 31 -3.268 12.853 9.475 8 H VAL 32 H VAL 32 -2.024 11.102 4.050 9 HA VAL 32 HA VAL 32 -3.890 9.040 3.671 10 HB VAL 32 HB VAL 32 -2.809 10.246 1.844 11 HG11 VAL 32 1HG1 VAL 32 -0.458 10.288 2.698 12 HG12 VAL 32 2HG1 VAL 32 -0.308 8.563 2.337 13 HG13 VAL 32 3HG1 VAL 32 -0.580 9.729 1.027 14 HG21 VAL 32 1HG2 VAL 32 -2.223 7.276 1.629 15 HG22 VAL 32 2HG2 VAL 32 -3.838 8.003 1.442 16 HG23 VAL 32 3HG2 VAL 32 -2.541 8.397 0.294 17 H GLU 33 H GLU 33 -0.770 8.790 5.146 18 HA GLU 33 HA GLU 33 -0.512 5.934 4.645 19 HB2 GLU 33 2HB GLU 33 1.657 6.108 5.286 20 HB3 GLU 33 3HB GLU 33 1.321 7.743 4.739 21 HG2 GLU 33 2HG GLU 33 0.884 8.269 7.254 22 HG3 GLU 33 3HG GLU 33 1.653 6.684 7.503 23 H ALA 34 H ALA 34 -1.337 7.884 7.431 24 HA ALA 34 HA ALA 34 -1.900 5.705 9.281 25 HB1 ALA 34 1HB ALA 34 -2.918 8.580 9.134 26 HB2 ALA 34 2HB ALA 34 -2.979 7.493 10.542 27 HB3 ALA 34 3HB ALA 34 -1.423 8.049 9.938 28 H ALA 35 H ALA 35 -3.818 7.611 6.910 29 HA ALA 35 HA ALA 35 -6.329 6.404 7.485 30 HB1 ALA 35 1HB ALA 35 -5.999 8.540 6.259 31 HB2 ALA 35 2HB ALA 35 -5.315 7.637 4.891 32 HB3 ALA 35 3HB ALA 35 -7.009 7.392 5.361 33 H ILE 36 H ILE 36 -3.917 5.525 4.920 34 HA ILE 36 HA ILE 36 -5.438 3.269 4.031 35 HB ILE 36 HB ILE 36 -3.630 4.493 2.779 36 HG12 ILE 36 2HG1 ILE 36 -3.582 1.448 2.833 37 HG13 ILE 36 3HG1 ILE 36 -4.699 2.473 1.917 38 HG21 ILE 36 1HG2 ILE 36 -1.705 2.596 4.167 39 HG22 ILE 36 2HG2 ILE 36 -1.347 3.855 2.976 40 HG23 ILE 36 3HG2 ILE 36 -1.906 4.318 4.561 41 HD11 ILE 36 1HD1 ILE 36 -1.701 2.193 1.471 42 HD12 ILE 36 2HD1 ILE 36 -2.992 1.629 0.420 43 HD13 ILE 36 3HD1 ILE 36 -2.743 3.376 0.635 44 H ARG 37 H ARG 37 -2.714 3.504 6.388 45 HA ARG 37 HA ARG 37 -2.504 0.835 7.235 46 HB2 ARG 37 2HB ARG 37 -1.127 2.466 8.149 47 HB3 ARG 37 3HB ARG 37 -2.414 3.488 8.690 48 HG2 ARG 37 2HG ARG 37 -1.820 0.836 10.011 49 HG3 ARG 37 3HG ARG 37 -1.013 2.350 10.428 50 HD2 ARG 37 2HD ARG 37 -3.398 3.330 10.769 51 HD3 ARG 37 3HD ARG 37 -3.887 1.624 10.842 52 HE ARG 37 HE ARG 37 -1.736 1.967 12.673 53 HH11 ARG 37 1HH1 ARG 37 -4.970 3.387 12.476 54 HH12 ARG 37 2HH1 ARG 37 -5.059 3.444 14.235 55 HH21 ARG 37 1HH2 ARG 37 -2.032 2.070 14.823 56 HH22 ARG 37 2HH2 ARG 37 -3.524 2.724 15.470 57 H THR 38 H THR 38 -4.946 3.117 8.581 58 HA THR 38 HA THR 38 -6.326 0.927 9.857 59 HB THR 38 HB THR 38 -6.995 3.838 9.429 60 HG1 THR 38 1HG THR 38 -6.241 2.099 11.548 61 HG21 THR 38 1HG2 THR 38 -8.731 3.657 11.119 62 HG22 THR 38 2HG2 THR 38 -8.540 1.899 11.191 63 HG23 THR 38 3HG2 THR 38 -9.192 2.676 9.721 64 H LYS 39 H LYS 39 -7.125 2.582 6.757 65 HA LYS 39 HA LYS 39 -9.604 1.148 6.379 66 HB2 LYS 39 2HB LYS 39 -7.745 2.687 4.545 67 HB3 LYS 39 3HB LYS 39 -8.917 1.595 3.836 68 HG2 LYS 39 2HG LYS 39 -9.984 3.648 3.811 69 HG3 LYS 39 3HG LYS 39 -10.751 2.741 5.115 70 HD2 LYS 39 2HD LYS 39 -9.376 4.012 6.771 71 HD3 LYS 39 3HD LYS 39 -8.649 4.926 5.437 72 HE2 LYS 39 2HE LYS 39 -11.623 4.905 6.100 73 HE3 LYS 39 3HE LYS 39 -10.469 6.126 6.638 74 HZ1 LYS 39 1HZ LYS 39 -9.968 6.439 4.157 75 HZ2 LYS 39 2HZ LYS 39 -11.363 7.037 4.718 76 HZ3 LYS 39 3HZ LYS 39 -11.394 5.649 3.869 77 H LEU 40 H LEU 40 -6.245 0.222 5.484 78 HA LEU 40 HA LEU 40 -7.214 -2.199 4.201 79 HB2 LEU 40 2HB LEU 40 -4.491 -1.016 4.722 80 HB3 LEU 40 3HB LEU 40 -4.662 -2.652 4.154 81 HG LEU 40 HG LEU 40 -4.284 -0.849 2.408 82 HD11 LEU 40 1HD1 LEU 40 -6.640 -2.766 2.126 83 HD12 LEU 40 2HD1 LEU 40 -4.933 -3.125 1.853 84 HD13 LEU 40 3HD1 LEU 40 -5.776 -1.992 0.769 85 HD21 LEU 40 1HD2 LEU 40 -7.277 -0.356 2.590 86 HD22 LEU 40 2HD2 LEU 40 -6.139 0.310 1.412 87 HD23 LEU 40 3HD2 LEU 40 -6.025 0.801 3.103 88 H GLU 41 H GLU 41 -5.847 -1.493 7.500 89 HA GLU 41 HA GLU 41 -5.954 -4.111 8.450 90 HB2 GLU 41 2HB GLU 41 -5.562 -1.690 9.602 91 HB3 GLU 41 3HB GLU 41 -7.234 -1.935 10.070 92 HG2 GLU 41 2HG GLU 41 -6.377 -4.353 10.660 93 HG3 GLU 41 3HG GLU 41 -4.787 -3.595 10.724 94 H GLU 42 H GLU 42 -8.624 -1.769 8.016 95 HA GLU 42 HA GLU 42 -10.718 -3.511 8.850 96 HB2 GLU 42 2HB GLU 42 -10.419 -0.829 8.167 97 HB3 GLU 42 3HB GLU 42 -11.364 -1.415 6.840 98 HG2 GLU 42 2HG GLU 42 -12.010 -1.659 9.819 99 HG3 GLU 42 3HG GLU 42 -12.687 -0.460 8.719 100 H ALA 43 H ALA 43 -9.300 -2.961 5.627 101 HA ALA 43 HA ALA 43 -11.341 -4.404 4.216 102 HB1 ALA 43 1HB ALA 43 -10.029 -2.536 3.268 103 HB2 ALA 43 2HB ALA 43 -8.572 -3.572 3.302 104 HB3 ALA 43 3HB ALA 43 -9.945 -4.006 2.273 105 H LEU 44 H LEU 44 -7.917 -5.431 5.002 106 HA LEU 44 HA LEU 44 -8.609 -8.075 3.819 107 HB2 LEU 44 2HB LEU 44 -6.744 -8.152 2.461 108 HB3 LEU 44 3HB LEU 44 -7.923 -6.930 2.072 109 HG LEU 44 HG LEU 44 -6.293 -5.228 3.205 110 HD11 LEU 44 1HD1 LEU 44 -3.901 -5.905 3.040 111 HD12 LEU 44 2HD1 LEU 44 -4.399 -7.583 2.722 112 HD13 LEU 44 3HD1 LEU 44 -4.737 -6.831 4.294 113 HD21 LEU 44 1HD2 LEU 44 -5.825 -6.826 0.679 114 HD22 LEU 44 2HD2 LEU 44 -5.070 -5.228 0.978 115 HD23 LEU 44 3HD2 LEU 44 -6.844 -5.404 0.884 116 H SER 45 H SER 45 -7.818 -6.872 6.565 117 HA SER 45 HA SER 45 -6.769 -7.609 8.488 118 HB2 SER 45 2HB SER 45 -7.284 -10.406 7.646 119 HB3 SER 45 3HB SER 45 -7.498 -9.607 9.209 120 HG SER 45 HG SER 45 -9.286 -8.469 8.284 121 HA PRO 46 HA PRO 46 -2.659 -8.466 6.448 122 HB2 PRO 46 2HB PRO 46 -1.356 -6.217 7.334 123 HB3 PRO 46 3HB PRO 46 -2.331 -6.236 5.887 124 HG2 PRO 46 2HG PRO 46 -3.242 -5.336 8.632 125 HG3 PRO 46 3HG PRO 46 -3.437 -4.488 7.064 126 HD2 PRO 46 2HD PRO 46 -5.381 -6.011 8.195 127 HD3 PRO 46 3HD PRO 46 -5.157 -5.970 6.419 128 H GLU 47 H GLU 47 -0.808 -9.210 7.419 129 HA GLU 47 HA GLU 47 -0.547 -9.474 10.382 130 HB2 GLU 47 2HB GLU 47 0.082 -11.221 8.511 131 HB3 GLU 47 3HB GLU 47 1.454 -10.162 8.292 132 HG2 GLU 47 2HG GLU 47 2.306 -11.614 9.716 133 HG3 GLU 47 3HG GLU 47 1.924 -10.323 10.789 134 H VAL 48 H VAL 48 0.670 -7.708 7.525 135 HA VAL 48 HA VAL 48 2.509 -6.123 9.246 136 HB VAL 48 HB VAL 48 3.828 -6.862 6.757 137 HG11 VAL 48 1HG1 VAL 48 4.415 -7.261 9.641 138 HG12 VAL 48 2HG1 VAL 48 5.508 -7.538 8.273 139 HG13 VAL 48 3HG1 VAL 48 4.903 -5.868 8.542 140 HG21 VAL 48 1HG2 VAL 48 2.788 -9.166 7.103 141 HG22 VAL 48 2HG2 VAL 48 4.540 -9.111 7.308 142 HG23 VAL 48 3HG2 VAL 48 3.497 -9.169 8.740 143 H LEU 49 H LEU 49 3.231 -4.202 8.549 144 HA LEU 49 HA LEU 49 2.190 -2.999 6.081 145 HB2 LEU 49 2HB LEU 49 0.330 -3.170 7.730 146 HB3 LEU 49 3HB LEU 49 1.229 -2.222 8.895 147 HG LEU 49 HG LEU 49 -0.690 -1.145 7.653 148 HD11 LEU 49 1HD1 LEU 49 0.846 0.277 8.837 149 HD12 LEU 49 2HD1 LEU 49 0.377 1.032 7.314 150 HD13 LEU 49 3HD1 LEU 49 1.974 0.284 7.461 151 HD21 LEU 49 1HD2 LEU 49 1.246 -0.994 5.321 152 HD22 LEU 49 2HD2 LEU 49 -0.430 -0.391 5.402 153 HD23 LEU 49 3HD2 LEU 49 -0.104 -2.143 5.467 154 H GLU 50 H GLU 50 4.032 -1.954 5.362 155 HA GLU 50 HA GLU 50 5.292 0.050 7.157 156 HB2 GLU 50 2HB GLU 50 6.895 -1.872 5.461 157 HB3 GLU 50 3HB GLU 50 7.479 -0.565 6.458 158 HG2 GLU 50 2HG GLU 50 6.396 -1.722 8.435 159 HG3 GLU 50 3HG GLU 50 6.229 -3.161 7.419 160 H LEU 51 H LEU 51 5.475 1.924 6.137 161 HA LEU 51 HA LEU 51 5.549 2.108 3.198 162 HB2 LEU 51 2HB LEU 51 3.388 2.831 2.816 163 HB3 LEU 51 3HB LEU 51 3.226 1.460 3.895 164 HG LEU 51 HG LEU 51 2.802 4.362 4.401 165 HD11 LEU 51 1HD1 LEU 51 0.956 2.900 3.507 166 HD12 LEU 51 2HD1 LEU 51 0.568 3.609 5.092 167 HD13 LEU 51 3HD1 LEU 51 1.070 1.913 4.971 168 HD21 LEU 51 1HD2 LEU 51 2.952 2.213 6.551 169 HD22 LEU 51 2HD2 LEU 51 2.230 3.818 6.798 170 HD23 LEU 51 3HD2 LEU 51 3.949 3.679 6.448 171 H ARG 52 H ARG 52 5.239 4.408 2.338 172 HA ARG 52 HA ARG 52 6.488 6.487 4.045 173 HB2 ARG 52 2HB ARG 52 7.843 4.820 1.916 174 HB3 ARG 52 3HB ARG 52 8.141 6.543 1.839 175 HG2 ARG 52 2HG ARG 52 8.634 4.876 4.332 176 HG3 ARG 52 3HG ARG 52 9.854 5.290 3.112 177 HD2 ARG 52 2HD ARG 52 9.069 7.753 3.531 178 HD3 ARG 52 3HD ARG 52 8.409 7.119 5.046 179 HE ARG 52 HE ARG 52 11.062 6.225 4.937 180 HH11 ARG 52 1HH1 ARG 52 9.481 9.369 4.987 181 HH12 ARG 52 2HH1 ARG 52 10.948 10.175 5.521 182 HH21 ARG 52 1HH2 ARG 52 12.808 7.285 5.720 183 HH22 ARG 52 2HH2 ARG 52 12.730 9.019 6.027 184 H ASN 53 H ASN 53 6.036 8.558 3.314 185 HA ASN 53 HA ASN 53 4.927 8.785 0.591 186 HB2 ASN 53 2HB ASN 53 4.056 10.789 1.077 187 HB3 ASN 53 3HB ASN 53 3.651 9.738 2.413 188 HD21 ASN 53 1HD2 ASN 53 3.053 12.103 3.164 189 HD22 ASN 53 2HD2 ASN 53 4.364 13.060 3.801 190 H GLU 54 H GLU 54 5.988 9.455 -1.020 191 HA GLU 54 HA GLU 54 8.939 9.415 -0.698 192 HB2 GLU 54 2HB GLU 54 7.691 7.635 -1.885 193 HB3 GLU 54 3HB GLU 54 7.096 8.821 -3.046 194 HG2 GLU 54 2HG GLU 54 9.396 9.232 -3.840 195 HG3 GLU 54 3HG GLU 54 10.035 8.137 -2.596 196 H SER 55 H SER 55 6.504 11.671 -1.461 197 HA SER 55 HA SER 55 7.548 13.027 -3.644 198 HB2 SER 55 2HB SER 55 5.958 14.782 -2.977 199 HB3 SER 55 3HB SER 55 5.355 13.084 -2.954 200 HG SER 55 HG SER 55 5.443 14.891 -0.920 201 H GLY 56 H GLY 56 8.809 13.320 -0.416 202 HA2 GLY 56 2HA GLY 56 10.265 15.783 -0.805 203 HA3 GLY 56 3HA GLY 56 10.704 14.463 0.288 204 H GLY 57 H GLY 57 10.642 12.744 -2.436 205 HA2 GLY 57 2HA GLY 57 13.404 13.228 -3.356 206 HA3 GLY 57 3HA GLY 57 12.274 11.996 -3.925 207 H HIS 58 H HIS 58 10.719 15.013 -3.915 208 HA HIS 58 HA HIS 58 11.382 15.647 -6.746 209 HB2 HIS 58 2HB HIS 58 8.618 15.314 -5.481 210 HB3 HIS 58 3HB HIS 58 8.883 15.987 -7.065 211 HD1 HIS 58 1HD HIS 58 9.811 14.269 -8.988 212 HD2 HIS 58 2HD HIS 58 9.045 12.599 -5.205 213 HE1 HIS 58 1HE HIS 58 9.930 11.736 -9.281 214 H ALA 59 H ALA 59 10.838 17.869 -7.342 215 HA ALA 59 HA ALA 59 11.593 19.685 -5.156 216 HB1 ALA 59 1HB ALA 59 11.959 21.294 -7.001 217 HB2 ALA 59 2HB ALA 59 12.843 19.771 -7.207 218 HB3 ALA 59 3HB ALA 59 11.374 20.073 -8.155 219 H VAL 60 H VAL 60 9.437 19.092 -4.194 220 HA VAL 60 HA VAL 60 7.119 20.646 -5.216 221 HB VAL 60 HB VAL 60 5.734 19.129 -3.913 222 HG11 VAL 60 1HG1 VAL 60 6.094 17.087 -5.157 223 HG12 VAL 60 2HG1 VAL 60 6.343 18.496 -6.201 224 HG13 VAL 60 3HG1 VAL 60 7.738 17.591 -5.580 225 HG21 VAL 60 1HG2 VAL 60 8.293 17.724 -3.060 226 HG22 VAL 60 2HG2 VAL 60 7.199 18.635 -1.998 227 HG23 VAL 60 3HG2 VAL 60 6.640 17.157 -2.781 228 HA PRO 61 HA PRO 61 7.005 23.440 -1.774 229 HB2 PRO 61 2HB PRO 61 4.138 22.624 -1.299 230 HB3 PRO 61 3HB PRO 61 4.838 24.270 -1.395 231 HG2 PRO 61 2HG PRO 61 3.506 23.237 -3.507 232 HG3 PRO 61 3HG PRO 61 5.042 24.129 -3.771 233 HD2 PRO 61 2HD PRO 61 4.593 21.136 -3.684 234 HD3 PRO 61 3HD PRO 61 5.570 22.112 -4.826 235 HA PRO 62 HA PRO 62 7.967 20.997 1.750 236 HB2 PRO 62 2HB PRO 62 7.462 22.708 3.890 237 HB3 PRO 62 3HB PRO 62 8.918 22.740 2.852 238 HG2 PRO 62 2HG PRO 62 6.428 24.440 2.636 239 HG3 PRO 62 3HG PRO 62 8.138 24.952 2.503 240 HD2 PRO 62 2HD PRO 62 6.642 24.533 0.292 241 HD3 PRO 62 3HD PRO 62 8.350 24.010 0.334 242 H GLY 63 H GLY 63 6.999 19.438 2.850 243 HA2 GLY 63 2HA GLY 63 5.384 18.119 3.794 244 HA3 GLY 63 3HA GLY 63 4.398 19.544 4.081 245 H SER 64 H SER 64 4.946 19.509 0.732 246 HA SER 64 HA SER 64 2.278 18.621 0.161 247 HB2 SER 64 2HB SER 64 3.524 20.368 -1.138 248 HB3 SER 64 3HB SER 64 4.502 19.070 -1.849 249 HG SER 64 HG SER 64 1.647 19.284 -1.932 250 H GLU 65 H GLU 65 1.551 16.800 -0.372 251 HA GLU 65 HA GLU 65 3.268 14.362 -0.199 252 HB2 GLU 65 2HB GLU 65 1.886 14.956 1.742 253 HB3 GLU 65 3HB GLU 65 0.434 14.907 0.743 254 HG2 GLU 65 2HG GLU 65 0.806 12.476 0.336 255 HG3 GLU 65 3HG GLU 65 2.314 12.556 1.246 256 H THR 66 H THR 66 3.512 14.556 -2.641 257 HA THR 66 HA THR 66 1.089 14.217 -4.252 258 HB THR 66 HB THR 66 2.624 14.487 -6.150 259 HG1 THR 66 1HG THR 66 4.800 14.712 -5.804 260 HG21 THR 66 1HG2 THR 66 3.471 16.488 -3.994 261 HG22 THR 66 2HG2 THR 66 2.003 16.629 -4.990 262 HG23 THR 66 3HG2 THR 66 3.619 16.677 -5.744 263 H HIS 67 H HIS 67 3.546 12.254 -2.867 264 HA HIS 67 HA HIS 67 3.287 10.103 -4.909 265 HB2 HIS 67 2HB HIS 67 5.252 12.038 -4.692 266 HB3 HIS 67 3HB HIS 67 5.957 10.774 -3.787 267 HD1 HIS 67 1HD HIS 67 7.283 9.072 -5.679 268 HD2 HIS 67 2HD HIS 67 4.184 11.592 -6.992 269 HE1 HIS 67 1HE HIS 67 7.409 9.052 -8.208 270 H PHE 68 H PHE 68 3.073 8.084 -4.040 271 HA PHE 68 HA PHE 68 3.942 7.679 -1.198 272 HB2 PHE 68 2HB PHE 68 1.503 8.333 -1.616 273 HB3 PHE 68 3HB PHE 68 1.316 6.827 -2.445 274 HD1 PHE 68 1HD PHE 68 2.916 7.865 0.834 275 HD2 PHE 68 2HD PHE 68 0.014 5.395 -1.179 276 HE1 PHE 68 1HE PHE 68 2.318 6.794 3.019 277 HE2 PHE 68 2HE PHE 68 -0.614 4.389 0.976 278 HZ PHE 68 HZ PHE 68 0.559 5.069 3.065 279 H ARG 69 H ARG 69 4.627 5.689 -0.484 280 HA ARG 69 HA ARG 69 4.563 3.442 -2.411 281 HB2 ARG 69 2HB ARG 69 6.862 4.794 -2.241 282 HB3 ARG 69 3HB ARG 69 7.050 3.843 -0.770 283 HG2 ARG 69 2HG ARG 69 8.074 2.496 -2.421 284 HG3 ARG 69 3HG ARG 69 6.470 1.779 -2.272 285 HD2 ARG 69 2HD ARG 69 6.708 1.929 -4.587 286 HD3 ARG 69 3HD ARG 69 5.816 3.396 -4.227 287 HE ARG 69 HE ARG 69 8.097 4.573 -4.163 288 HH11 ARG 69 1HH1 ARG 69 7.923 1.703 -6.272 289 HH12 ARG 69 2HH1 ARG 69 9.007 2.493 -7.389 290 HH21 ARG 69 1HH2 ARG 69 9.504 5.249 -5.473 291 HH22 ARG 69 2HH2 ARG 69 9.943 4.355 -6.954 292 H VAL 70 H VAL 70 4.061 1.506 -1.575 293 HA VAL 70 HA VAL 70 3.912 1.266 1.431 294 HB VAL 70 HB VAL 70 1.821 0.222 -0.497 295 HG11 VAL 70 1HG1 VAL 70 1.739 -1.102 1.468 296 HG12 VAL 70 2HG1 VAL 70 1.993 0.261 2.549 297 HG13 VAL 70 3HG1 VAL 70 0.457 0.082 1.672 298 HG21 VAL 70 1HG2 VAL 70 1.684 2.662 -0.531 299 HG22 VAL 70 2HG2 VAL 70 0.329 1.991 0.363 300 HG23 VAL 70 3HG2 VAL 70 1.698 2.711 1.242 301 H ALA 71 H ALA 71 4.311 -0.629 2.390 302 HA ALA 71 HA ALA 71 4.398 -3.080 0.680 303 HB1 ALA 71 1HB ALA 71 6.660 -2.594 1.619 304 HB2 ALA 71 2HB ALA 71 5.974 -2.664 3.260 305 HB3 ALA 71 3HB ALA 71 5.962 -4.105 2.231 306 H VAL 72 H VAL 72 2.669 -4.276 1.010 307 HA VAL 72 HA VAL 72 1.312 -4.318 3.685 308 HB VAL 72 HB VAL 72 -0.748 -5.011 2.181 309 HG11 VAL 72 1HG1 VAL 72 0.115 -2.179 2.776 310 HG12 VAL 72 2HG1 VAL 72 -1.514 -2.626 2.212 311 HG13 VAL 72 3HG1 VAL 72 -0.905 -3.268 3.740 312 HG21 VAL 72 1HG2 VAL 72 0.388 -4.794 -0.017 313 HG22 VAL 72 2HG2 VAL 72 -1.022 -3.742 0.143 314 HG23 VAL 72 3HG2 VAL 72 0.608 -3.057 0.281 315 H VAL 73 H VAL 73 1.395 -6.266 4.636 316 HA VAL 73 HA VAL 73 1.548 -8.635 2.817 317 HB VAL 73 HB VAL 73 3.007 -8.027 5.320 318 HG11 VAL 73 1HG1 VAL 73 3.518 -10.448 3.627 319 HG12 VAL 73 2HG1 VAL 73 4.196 -10.063 5.205 320 HG13 VAL 73 3HG1 VAL 73 2.495 -10.510 5.086 321 HG21 VAL 73 1HG2 VAL 73 5.071 -8.229 3.877 322 HG22 VAL 73 2HG2 VAL 73 3.970 -8.178 2.484 323 HG23 VAL 73 3HG2 VAL 73 4.070 -6.807 3.598 324 H SER 74 H SER 74 0.178 -10.205 3.093 325 HA SER 74 HA SER 74 -1.401 -10.479 5.598 326 HB2 SER 74 2HB SER 74 -2.615 -8.781 4.269 327 HB3 SER 74 3HB SER 74 -2.710 -9.916 2.903 328 HG SER 74 HG SER 74 -4.558 -9.829 4.562 329 H SER 75 H SER 75 -2.622 -12.428 5.730 330 HA SER 75 HA SER 75 -1.373 -14.724 4.468 331 HB2 SER 75 2HB SER 75 -3.129 -16.017 5.613 332 HB3 SER 75 3HB SER 75 -2.262 -14.918 6.699 333 HG SER 75 HG SER 75 -4.433 -14.851 7.100 334 H ARG 76 H ARG 76 -4.118 -12.728 3.738 335 HA ARG 76 HA ARG 76 -5.591 -14.260 1.840 336 HB2 ARG 76 2HB ARG 76 -5.257 -11.362 2.480 337 HB3 ARG 76 3HB ARG 76 -6.050 -11.832 0.984 338 HG2 ARG 76 2HG ARG 76 -7.633 -13.295 2.235 339 HG3 ARG 76 3HG ARG 76 -6.897 -12.762 3.766 340 HD2 ARG 76 2HD ARG 76 -7.364 -10.404 3.122 341 HD3 ARG 76 3HD ARG 76 -8.049 -10.987 1.604 342 HE ARG 76 HE ARG 76 -10.046 -11.357 2.640 343 HH11 ARG 76 1HH1 ARG 76 -7.738 -11.227 5.336 344 HH12 ARG 76 2HH1 ARG 76 -9.000 -10.639 6.400 345 HH21 ARG 76 1HH2 ARG 76 -11.539 -10.899 4.127 346 HH22 ARG 76 2HH2 ARG 76 -11.115 -10.746 5.819 347 H PHE 77 H PHE 77 -2.373 -12.934 1.356 348 HA PHE 77 HA PHE 77 -2.797 -12.582 -1.515 349 HB2 PHE 77 2HB PHE 77 -0.534 -11.897 0.295 350 HB3 PHE 77 3HB PHE 77 -0.580 -11.547 -1.410 351 HD1 PHE 77 1HD PHE 77 -0.046 -9.436 0.510 352 HD2 PHE 77 2HD PHE 77 -3.829 -10.785 -1.058 353 HE1 PHE 77 1HE PHE 77 -0.999 -7.193 0.884 354 HE2 PHE 77 2HE PHE 77 -4.770 -8.552 -0.690 355 HZ PHE 77 HZ PHE 77 -3.362 -6.734 0.267 356 H GLU 78 H GLU 78 -2.566 -15.390 -0.179 357 HA GLU 78 HA GLU 78 -0.117 -16.410 -1.329 358 HB2 GLU 78 2HB GLU 78 -0.809 -18.507 -0.350 359 HB3 GLU 78 3HB GLU 78 -0.783 -17.169 0.787 360 HG2 GLU 78 2HG GLU 78 -3.319 -17.012 0.513 361 HG3 GLU 78 3HG GLU 78 -3.243 -18.504 -0.419 362 H GLY 79 H GLY 79 0.034 -16.679 -3.524 363 HA2 GLY 79 2HA GLY 79 0.079 -18.487 -5.017 364 HA3 GLY 79 3HA GLY 79 -1.455 -19.074 -4.382 365 H LEU 80 H LEU 80 -2.278 -16.052 -4.928 366 HA LEU 80 HA LEU 80 -3.229 -16.086 -7.662 367 HB2 LEU 80 2HB LEU 80 -3.467 -13.632 -7.158 368 HB3 LEU 80 3HB LEU 80 -4.455 -14.754 -6.268 369 HG LEU 80 HG LEU 80 -3.456 -12.683 -5.139 370 HD11 LEU 80 1HD1 LEU 80 -3.538 -13.651 -3.007 371 HD12 LEU 80 2HD1 LEU 80 -3.193 -15.264 -3.619 372 HD13 LEU 80 3HD1 LEU 80 -4.727 -14.469 -4.006 373 HD21 LEU 80 1HD2 LEU 80 -1.081 -13.075 -5.784 374 HD22 LEU 80 2HD2 LEU 80 -1.037 -14.419 -4.634 375 HD23 LEU 80 3HD2 LEU 80 -1.367 -12.774 -4.068 376 H SER 81 H SER 81 -2.506 -14.456 -9.233 377 HA SER 81 HA SER 81 0.366 -14.387 -9.661 378 HB2 SER 81 2HB SER 81 -0.322 -14.266 -11.756 379 HB3 SER 81 3HB SER 81 -2.003 -14.148 -11.196 380 HG SER 81 HG SER 81 -1.599 -12.450 -12.507 381 HA PRO 82 HA PRO 82 1.341 -10.248 -8.129 382 HB2 PRO 82 2HB PRO 82 2.731 -9.817 -10.769 383 HB3 PRO 82 3HB PRO 82 3.324 -9.500 -9.110 384 HG2 PRO 82 2HG PRO 82 4.154 -11.702 -10.451 385 HG3 PRO 82 3HG PRO 82 3.695 -11.833 -8.721 386 HD2 PRO 82 2HD PRO 82 2.024 -12.515 -11.162 387 HD3 PRO 82 3HD PRO 82 2.290 -13.463 -9.667 388 H LEU 83 H LEU 83 0.399 -10.303 -11.644 389 HA LEU 83 HA LEU 83 -0.753 -7.666 -11.637 390 HB2 LEU 83 2HB LEU 83 -0.033 -8.809 -13.681 391 HB3 LEU 83 3HB LEU 83 -1.206 -10.098 -13.413 392 HG LEU 83 HG LEU 83 -3.071 -8.506 -13.752 393 HD11 LEU 83 1HD1 LEU 83 -0.872 -6.483 -14.376 394 HD12 LEU 83 2HD1 LEU 83 -2.043 -6.387 -13.040 395 HD13 LEU 83 3HD1 LEU 83 -2.600 -6.257 -14.708 396 HD21 LEU 83 1HD2 LEU 83 -0.993 -8.480 -15.977 397 HD22 LEU 83 2HD2 LEU 83 -2.731 -8.174 -16.169 398 HD23 LEU 83 3HD2 LEU 83 -2.170 -9.774 -15.653 399 H GLN 84 H GLN 84 -2.113 -10.897 -11.037 400 HA GLN 84 HA GLN 84 -4.862 -10.188 -10.775 401 HB2 GLN 84 2HB GLN 84 -3.991 -12.467 -11.094 402 HB3 GLN 84 3HB GLN 84 -3.209 -12.401 -9.515 403 HG2 GLN 84 2HG GLN 84 -5.460 -12.264 -8.435 404 HG3 GLN 84 3HG GLN 84 -6.205 -12.456 -10.027 405 HE21 GLN 84 1HE2 GLN 84 -6.720 -14.369 -7.948 406 HE22 GLN 84 2HE2 GLN 84 -5.941 -15.857 -8.407 407 H ARG 85 H ARG 85 -2.342 -10.574 -8.186 408 HA ARG 85 HA ARG 85 -4.102 -9.630 -6.116 409 HB2 ARG 85 2HB ARG 85 -2.304 -9.697 -4.627 410 HB3 ARG 85 3HB ARG 85 -2.025 -10.983 -5.793 411 HG2 ARG 85 2HG ARG 85 -0.417 -9.410 -6.976 412 HG3 ARG 85 3HG ARG 85 -0.568 -8.322 -5.602 413 HD2 ARG 85 2HD ARG 85 0.226 -10.169 -4.095 414 HD3 ARG 85 3HD ARG 85 0.356 -11.230 -5.501 415 HE ARG 85 HE ARG 85 1.987 -8.718 -5.241 416 HH11 ARG 85 1HH1 ARG 85 2.148 -12.205 -5.154 417 HH12 ARG 85 2HH1 ARG 85 3.721 -12.246 -5.917 418 HH21 ARG 85 1HH2 ARG 85 4.070 -8.818 -5.654 419 HH22 ARG 85 2HH2 ARG 85 4.889 -10.363 -5.784 420 H HIS 86 H HIS 86 -1.708 -7.759 -8.042 421 HA HIS 86 HA HIS 86 -2.212 -5.268 -6.718 422 HB2 HIS 86 2HB HIS 86 -1.080 -6.117 -9.349 423 HB3 HIS 86 3HB HIS 86 -1.526 -4.414 -9.144 424 HD1 HIS 86 1HD HIS 86 0.546 -3.033 -8.375 425 HD2 HIS 86 2HD HIS 86 0.535 -7.028 -7.091 426 HE1 HIS 86 1HE HIS 86 2.691 -3.354 -7.060 427 H ARG 87 H ARG 87 -3.694 -6.559 -9.787 428 HA ARG 87 HA ARG 87 -5.522 -4.420 -10.119 429 HB2 ARG 87 2HB ARG 87 -4.876 -6.065 -11.852 430 HB3 ARG 87 3HB ARG 87 -5.821 -7.315 -11.025 431 HG2 ARG 87 2HG ARG 87 -7.900 -6.085 -11.454 432 HG3 ARG 87 3HG ARG 87 -6.991 -4.686 -12.047 433 HD2 ARG 87 2HD ARG 87 -7.891 -5.888 -13.938 434 HD3 ARG 87 3HD ARG 87 -6.128 -6.015 -13.926 435 HE ARG 87 HE ARG 87 -7.923 -8.197 -12.883 436 HH11 ARG 87 1HH1 ARG 87 -5.632 -7.291 -15.359 437 HH12 ARG 87 2HH1 ARG 87 -5.273 -8.954 -15.749 438 HH21 ARG 87 1HH2 ARG 87 -7.344 -10.298 -13.379 439 HH22 ARG 87 2HH2 ARG 87 -6.056 -10.567 -14.557 440 H LEU 88 H LEU 88 -6.022 -7.474 -8.219 441 HA LEU 88 HA LEU 88 -8.725 -6.921 -7.569 442 HB2 LEU 88 2HB LEU 88 -6.485 -8.531 -6.301 443 HB3 LEU 88 3HB LEU 88 -8.057 -8.417 -5.559 444 HG LEU 88 HG LEU 88 -7.635 -9.479 -8.381 445 HD11 LEU 88 1HD1 LEU 88 -8.090 -10.980 -5.765 446 HD12 LEU 88 2HD1 LEU 88 -6.554 -10.903 -6.656 447 HD13 LEU 88 3HD1 LEU 88 -7.958 -11.699 -7.384 448 HD21 LEU 88 1HD2 LEU 88 -9.928 -8.663 -8.040 449 HD22 LEU 88 2HD2 LEU 88 -10.051 -9.600 -6.536 450 HD23 LEU 88 3HD2 LEU 88 -9.891 -10.431 -8.095 451 H VAL 89 H VAL 89 -5.718 -6.179 -5.668 452 HA VAL 89 HA VAL 89 -7.089 -4.779 -3.566 453 HB VAL 89 HB VAL 89 -4.231 -4.620 -4.607 454 HG11 VAL 89 1HG1 VAL 89 -4.615 -2.527 -3.401 455 HG12 VAL 89 2HG1 VAL 89 -5.343 -3.410 -2.040 456 HG13 VAL 89 3HG1 VAL 89 -3.617 -3.602 -2.426 457 HG21 VAL 89 1HG2 VAL 89 -3.706 -5.975 -2.638 458 HG22 VAL 89 2HG2 VAL 89 -5.407 -5.926 -2.108 459 HG23 VAL 89 3HG2 VAL 89 -4.952 -6.792 -3.585 460 H HIS 90 H HIS 90 -6.023 -3.674 -6.700 461 HA HIS 90 HA HIS 90 -6.327 -0.823 -6.195 462 HB2 HIS 90 2HB HIS 90 -5.904 -2.489 -8.706 463 HB3 HIS 90 3HB HIS 90 -6.100 -0.755 -8.726 464 HD1 HIS 90 1HD HIS 90 -3.728 -0.458 -9.805 465 HD2 HIS 90 2HD HIS 90 -3.763 -2.286 -6.009 466 HE1 HIS 90 1HE HIS 90 -1.302 -0.734 -9.104 467 H ALA 91 H ALA 91 -8.274 -3.305 -8.027 468 HA ALA 91 HA ALA 91 -10.361 -1.408 -8.656 469 HB1 ALA 91 1HB ALA 91 -9.878 -3.389 -10.026 470 HB2 ALA 91 2HB ALA 91 -10.333 -4.454 -8.678 471 HB3 ALA 91 3HB ALA 91 -11.555 -3.416 -9.444 472 H ALA 92 H ALA 92 -9.797 -3.544 -5.879 473 HA ALA 92 HA ALA 92 -12.442 -3.004 -4.752 474 HB1 ALA 92 1HB ALA 92 -11.486 -5.172 -4.374 475 HB2 ALA 92 2HB ALA 92 -10.023 -4.470 -3.653 476 HB3 ALA 92 3HB ALA 92 -11.594 -4.323 -2.830 477 H LEU 93 H LEU 93 -9.066 -1.836 -4.009 478 HA LEU 93 HA LEU 93 -10.406 -0.035 -1.995 479 HB2 LEU 93 2HB LEU 93 -7.583 -1.135 -2.057 480 HB3 LEU 93 3HB LEU 93 -8.104 0.083 -0.966 481 HG LEU 93 HG LEU 93 -8.246 -1.605 0.415 482 HD11 LEU 93 1HD1 LEU 93 -10.493 -0.559 0.347 483 HD12 LEU 93 2HD1 LEU 93 -10.524 -2.243 0.883 484 HD13 LEU 93 3HD1 LEU 93 -11.037 -1.851 -0.754 485 HD21 LEU 93 1HD2 LEU 93 -9.279 -3.379 -1.787 486 HD22 LEU 93 2HD2 LEU 93 -8.888 -3.884 -0.124 487 HD23 LEU 93 3HD2 LEU 93 -7.610 -3.266 -1.200 488 H ALA 94 H ALA 94 -9.977 0.617 -4.989 489 HA ALA 94 HA ALA 94 -7.922 2.213 -5.471 490 HB1 ALA 94 1HB ALA 94 -10.773 2.991 -6.293 491 HB2 ALA 94 2HB ALA 94 -9.280 3.413 -7.159 492 HB3 ALA 94 3HB ALA 94 -9.827 1.736 -7.089 493 H GLU 95 H GLU 95 -10.810 3.821 -4.030 494 HA GLU 95 HA GLU 95 -9.497 6.399 -3.989 495 HB2 GLU 95 2HB GLU 95 -11.965 5.845 -4.130 496 HB3 GLU 95 3HB GLU 95 -11.900 5.407 -2.419 497 HG2 GLU 95 2HG GLU 95 -11.207 7.771 -1.904 498 HG3 GLU 95 3HG GLU 95 -11.317 8.150 -3.633 499 H GLU 96 H GLU 96 -9.390 3.626 -1.804 500 HA GLU 96 HA GLU 96 -8.838 5.073 0.619 501 HB2 GLU 96 2HB GLU 96 -8.977 2.090 -0.055 502 HB3 GLU 96 3HB GLU 96 -9.160 2.914 1.443 503 HG2 GLU 96 2HG GLU 96 -11.290 3.992 0.513 504 HG3 GLU 96 3HG GLU 96 -11.121 2.889 -0.843 505 H LEU 97 H LEU 97 -7.291 2.980 -1.795 506 HA LEU 97 HA LEU 97 -4.677 2.814 -0.658 507 HB2 LEU 97 2HB LEU 97 -6.170 1.670 -2.749 508 HB3 LEU 97 3HB LEU 97 -5.088 2.663 -3.619 509 HG LEU 97 HG LEU 97 -3.162 1.556 -2.269 510 HD11 LEU 97 1HD1 LEU 97 -3.631 -0.666 -1.374 511 HD12 LEU 97 2HD1 LEU 97 -5.339 -0.541 -1.841 512 HD13 LEU 97 3HD1 LEU 97 -4.698 0.491 -0.555 513 HD21 LEU 97 1HD2 LEU 97 -3.132 -0.392 -3.798 514 HD22 LEU 97 2HD2 LEU 97 -3.595 1.088 -4.649 515 HD23 LEU 97 3HD2 LEU 97 -4.839 -0.101 -4.206 516 H GLY 98 H GLY 98 -6.143 4.811 -3.214 517 HA2 GLY 98 2HA GLY 98 -3.656 6.468 -3.448 518 HA3 GLY 98 3HA GLY 98 -4.206 5.419 -4.761 519 H GLY 99 H GLY 99 -6.875 6.692 -3.225 520 HA2 GLY 99 2HA GLY 99 -7.848 8.340 -5.304 521 HA3 GLY 99 3HA GLY 99 -8.337 8.404 -3.601 522 HA PRO 100 HA PRO 100 -6.608 12.215 -3.026 523 HB2 PRO 100 2HB PRO 100 -5.112 12.347 -0.748 524 HB3 PRO 100 3HB PRO 100 -6.818 11.785 -0.780 525 HG2 PRO 100 2HG PRO 100 -4.358 10.034 -0.826 526 HG3 PRO 100 3HG PRO 100 -5.756 9.958 0.296 527 HD2 PRO 100 2HD PRO 100 -5.676 8.411 -1.914 528 HD3 PRO 100 3HD PRO 100 -7.203 9.176 -1.404 529 H VAL 101 H VAL 101 -3.798 10.102 -3.524 530 HA VAL 101 HA VAL 101 -1.881 12.262 -3.689 531 HB VAL 101 HB VAL 101 -0.360 10.362 -4.013 532 HG11 VAL 101 1HG1 VAL 101 -0.528 9.422 -1.777 533 HG12 VAL 101 2HG1 VAL 101 -0.942 11.144 -1.727 534 HG13 VAL 101 3HG1 VAL 101 -2.220 9.910 -1.659 535 HG21 VAL 101 1HG2 VAL 101 -1.778 8.743 -5.179 536 HG22 VAL 101 2HG2 VAL 101 -1.061 8.055 -3.717 537 HG23 VAL 101 3HG2 VAL 101 -2.760 8.543 -3.708 538 H HIS 102 H HIS 102 -0.491 12.614 -5.542 539 HA HIS 102 HA HIS 102 -1.817 12.508 -8.135 540 HB2 HIS 102 2HB HIS 102 0.999 13.276 -7.296 541 HB3 HIS 102 3HB HIS 102 0.482 13.231 -8.958 542 HD1 HIS 102 1HD HIS 102 -1.182 15.166 -9.794 543 HD2 HIS 102 2HD HIS 102 0.067 15.324 -5.794 544 HE1 HIS 102 1HE HIS 102 -1.630 17.555 -8.994 545 H ALA 103 H ALA 103 0.765 10.650 -6.490 546 HA ALA 103 HA ALA 103 0.560 8.503 -8.521 547 HB1 ALA 103 1HB ALA 103 3.215 9.475 -7.564 548 HB2 ALA 103 2HB ALA 103 2.835 8.555 -9.033 549 HB3 ALA 103 3HB ALA 103 2.442 10.281 -8.961 550 H LEU 104 H LEU 104 1.151 6.412 -7.775 551 HA LEU 104 HA LEU 104 2.685 6.090 -5.424 552 HB2 LEU 104 2HB LEU 104 1.213 5.002 -4.040 553 HB3 LEU 104 3HB LEU 104 0.403 6.488 -4.463 554 HG LEU 104 HG LEU 104 -0.269 3.709 -5.543 555 HD11 LEU 104 1HD1 LEU 104 -1.521 5.497 -3.423 556 HD12 LEU 104 2HD1 LEU 104 -0.721 3.942 -3.167 557 HD13 LEU 104 3HD1 LEU 104 -2.249 3.990 -4.052 558 HD21 LEU 104 1HD2 LEU 104 -0.957 5.434 -7.168 559 HD22 LEU 104 2HD2 LEU 104 -1.730 6.370 -5.871 560 HD23 LEU 104 3HD2 LEU 104 -2.368 4.779 -6.333 561 H ALA 105 H ALA 105 3.346 3.985 -4.867 562 HA ALA 105 HA ALA 105 2.431 1.737 -6.549 563 HB1 ALA 105 1HB ALA 105 4.340 2.383 -7.767 564 HB2 ALA 105 2HB ALA 105 5.343 2.493 -6.321 565 HB3 ALA 105 3HB ALA 105 4.760 0.908 -6.879 566 H ILE 106 H ILE 106 2.222 -0.212 -5.611 567 HA ILE 106 HA ILE 106 3.021 -0.499 -2.751 568 HB ILE 106 HB ILE 106 1.259 -2.039 -2.467 569 HG12 ILE 106 2HG1 ILE 106 0.819 -1.931 -5.473 570 HG13 ILE 106 3HG1 ILE 106 1.323 -3.314 -4.506 571 HG21 ILE 106 1HG2 ILE 106 0.036 0.219 -4.088 572 HG22 ILE 106 2HG2 ILE 106 -0.644 -0.622 -2.680 573 HG23 ILE 106 3HG2 ILE 106 0.748 0.448 -2.481 574 HD11 ILE 106 1HD1 ILE 106 -0.965 -3.608 -5.133 575 HD12 ILE 106 2HD1 ILE 106 -0.898 -3.322 -3.378 576 HD13 ILE 106 3HD1 ILE 106 -1.414 -2.022 -4.488 577 H GLN 107 H GLN 107 3.865 -2.472 -1.974 578 HA GLN 107 HA GLN 107 4.069 -4.671 -3.968 579 HB2 GLN 107 2HB GLN 107 5.921 -4.336 -1.573 580 HB3 GLN 107 3HB GLN 107 5.803 -5.759 -2.617 581 HG2 GLN 107 2HG GLN 107 6.354 -4.173 -4.583 582 HG3 GLN 107 3HG GLN 107 6.826 -2.999 -3.356 583 HE21 GLN 107 1HE2 GLN 107 7.720 -5.942 -5.034 584 HE22 GLN 107 2HE2 GLN 107 9.328 -6.056 -4.311 585 H ALA 108 H ALA 108 3.116 -6.577 -3.367 586 HA ALA 108 HA ALA 108 1.571 -6.612 -0.810 587 HB1 ALA 108 1HB ALA 108 0.116 -5.952 -2.651 588 HB2 ALA 108 2HB ALA 108 0.641 -7.360 -3.603 589 HB3 ALA 108 3HB ALA 108 -0.292 -7.594 -2.111 590 H ARG 109 H ARG 109 2.240 -8.282 0.421 591 HA ARG 109 HA ARG 109 3.253 -10.818 -0.865 592 HB2 ARG 109 2HB ARG 109 4.745 -8.662 0.465 593 HB3 ARG 109 3HB ARG 109 5.051 -10.182 1.216 594 HG2 ARG 109 2HG ARG 109 6.738 -9.997 -0.326 595 HG3 ARG 109 3HG ARG 109 5.622 -11.097 -1.131 596 HD2 ARG 109 2HD ARG 109 4.910 -9.393 -2.655 597 HD3 ARG 109 3HD ARG 109 5.598 -8.095 -1.671 598 HE ARG 109 HE ARG 109 6.964 -9.793 -3.632 599 HH11 ARG 109 1HH1 ARG 109 7.596 -7.749 -0.800 600 HH12 ARG 109 2HH1 ARG 109 9.299 -7.625 -1.249 601 HH21 ARG 109 1HH2 ARG 109 9.168 -9.382 -4.094 602 HH22 ARG 109 2HH2 ARG 109 10.088 -8.455 -2.915 603 H THR 110 H THR 110 4.190 -12.313 1.115 604 HA THR 110 HA THR 110 1.780 -12.727 2.818 605 HB THR 110 HB THR 110 2.467 -15.200 2.482 606 HG1 THR 110 1HG THR 110 4.031 -15.542 1.135 607 HG21 THR 110 1HG2 THR 110 0.492 -14.127 1.424 608 HG22 THR 110 2HG2 THR 110 1.298 -15.226 0.287 609 HG23 THR 110 3HG2 THR 110 1.532 -13.467 0.141 610 HA PRO 111 HA PRO 111 4.130 -12.646 6.425 611 HB2 PRO 111 2HB PRO 111 2.980 -14.433 8.154 612 HB3 PRO 111 3HB PRO 111 2.236 -12.879 7.667 613 HG2 PRO 111 2HG PRO 111 1.688 -15.623 6.483 614 HG3 PRO 111 3HG PRO 111 0.502 -14.380 6.988 615 HD2 PRO 111 2HD PRO 111 1.224 -14.643 4.386 616 HD3 PRO 111 3HD PRO 111 0.968 -13.025 5.105 617 H ALA 112 H ALA 112 3.602 -16.125 5.418 618 HA ALA 112 HA ALA 112 5.683 -17.189 6.898 619 HB1 ALA 112 1HB ALA 112 4.018 -18.532 5.705 620 HB2 ALA 112 2HB ALA 112 4.665 -17.998 4.133 621 HB3 ALA 112 3HB ALA 112 5.643 -19.028 5.185 622 H GLN 113 H GLN 113 6.008 -15.528 3.777 623 HA GLN 113 HA GLN 113 8.928 -15.901 3.741 624 HB2 GLN 113 2HB GLN 113 8.847 -14.690 1.641 625 HB3 GLN 113 3HB GLN 113 7.772 -16.082 1.684 626 HG2 GLN 113 2HG GLN 113 6.308 -14.688 0.739 627 HG3 GLN 113 3HG GLN 113 6.011 -14.227 2.411 628 HE21 GLN 113 1HE2 GLN 113 6.326 -12.004 2.929 629 HE22 GLN 113 2HE2 GLN 113 7.234 -10.896 1.881 630 H TRP 114 H TRP 114 6.667 -13.206 4.667 631 HA TRP 114 HA TRP 114 8.720 -11.220 5.069 632 HB2 TRP 114 2HB TRP 114 6.300 -10.679 5.358 633 HB3 TRP 114 3HB TRP 114 6.259 -11.659 6.820 634 HD1 TRP 114 HD1 TRP 114 7.388 -10.625 8.986 635 HE1 TRP 114 HE1 TRP 114 7.943 -8.190 9.606 636 HE3 TRP 114 HE3 TRP 114 7.414 -8.576 4.293 637 HZ2 TRP 114 HZ2 TRP 114 7.799 -5.681 8.296 638 HZ3 TRP 114 HZ3 TRP 114 7.593 -6.113 4.012 639 HH2 TRP 114 HH2 TRP 114 7.741 -4.646 5.991 640 H ARG 115 H ARG 115 7.850 -14.083 6.807 641 HA ARG 115 HA ARG 115 9.242 -13.442 9.291 642 HB2 ARG 115 2HB ARG 115 8.345 -16.123 8.191 643 HB3 ARG 115 3HB ARG 115 8.887 -15.851 9.840 644 HG2 ARG 115 2HG ARG 115 6.652 -14.064 8.952 645 HG3 ARG 115 3HG ARG 115 6.278 -15.766 8.967 646 HD2 ARG 115 2HD ARG 115 5.559 -14.851 10.973 647 HD3 ARG 115 3HD ARG 115 6.955 -15.863 11.375 648 HE ARG 115 HE ARG 115 6.795 -12.867 11.369 649 HH11 ARG 115 1HH1 ARG 115 8.741 -15.687 12.325 650 HH12 ARG 115 2HH1 ARG 115 9.738 -14.689 13.346 651 HH21 ARG 115 1HH2 ARG 115 8.155 -11.741 12.677 652 HH22 ARG 115 2HH2 ARG 115 9.410 -12.544 13.573 653 H GLU 116 H GLU 116 10.400 -14.515 6.244 654 HA GLU 116 HA GLU 116 13.158 -14.840 7.368 655 HB2 GLU 116 2HB GLU 116 11.984 -15.289 4.601 656 HB3 GLU 116 3HB GLU 116 13.723 -15.303 4.948 657 HG2 GLU 116 2HG GLU 116 13.376 -17.160 6.546 658 HG3 GLU 116 3HG GLU 116 11.656 -17.197 6.136 659 H ASN 117 H ASN 117 11.791 -13.216 4.526 660 HA ASN 117 HA ASN 117 11.730 -10.662 5.553 661 HB2 ASN 117 2HB ASN 117 14.058 -10.269 5.251 662 HB3 ASN 117 3HB ASN 117 14.116 -11.122 3.711 663 HD21 ASN 117 1HD2 ASN 117 13.650 -8.028 5.231 664 HD22 ASN 117 2HD2 ASN 117 13.304 -7.167 3.730 665 H SER 118 H SER 118 12.246 -12.488 2.600 666 HA SER 118 HA SER 118 9.657 -11.932 1.421 667 HB2 SER 118 2HB SER 118 10.618 -10.930 -0.658 668 HB3 SER 118 3HB SER 118 10.715 -9.876 0.752 669 HG SER 118 HG SER 118 12.826 -10.179 0.917
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