NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
632333 | 6ccj | 27396 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 H SER 1 1.807 0.001 0.856 2 HA SER 1 HA SER 1 1.583 0.643 -1.944 3 HB2 SER 1 2HB SER 1 4.095 -0.199 -0.498 4 HB3 SER 1 3HB SER 1 3.957 0.798 -1.946 5 HG SER 1 HG SER 1 2.891 2.370 -0.603 6 H GLU 2 H GLU 2 0.293 -1.779 -1.277 7 HA GLU 2 HA GLU 2 2.045 -3.895 -2.263 8 HB2 GLU 2 2HB GLU 2 -0.648 -3.826 -0.958 9 HB3 GLU 2 3HB GLU 2 -0.183 -5.237 -1.899 10 HG2 GLU 2 2HG GLU 2 1.357 -5.914 -0.388 11 HG3 GLU 2 3HG GLU 2 1.763 -4.271 0.104 12 H ALA 3 H ALA 3 -0.754 -2.013 -3.219 13 HA ALA 3 HA ALA 3 -1.387 -3.547 -5.535 14 HB1 ALA 3 1HB ALA 3 -2.755 -1.722 -4.168 15 HB2 ALA 3 2HB ALA 3 -2.108 -0.674 -5.431 16 HB3 ALA 3 3HB ALA 3 -3.087 -2.076 -5.864 17 H VAL 4 H VAL 4 0.914 -1.062 -4.834 18 HA VAL 4 HA VAL 4 1.344 -0.281 -7.569 19 HB VAL 4 HB VAL 4 1.776 1.238 -5.633 20 HG11 VAL 4 1HG1 VAL 4 3.333 0.843 -4.046 21 HG12 VAL 4 2HG1 VAL 4 3.058 -0.840 -4.499 22 HG13 VAL 4 3HG1 VAL 4 4.431 0.042 -5.170 23 HG21 VAL 4 1HG2 VAL 4 2.984 2.350 -7.126 24 HG22 VAL 4 2HG2 VAL 4 4.399 1.384 -6.705 25 HG23 VAL 4 3HG2 VAL 4 3.316 0.849 -7.991 26 H ILE 5 H ILE 5 2.288 -2.903 -5.658 27 HA ILE 5 HA ILE 5 4.715 -3.396 -7.224 28 HB ILE 5 HB ILE 5 3.668 -4.971 -4.872 29 HG12 ILE 5 2HG1 ILE 5 5.843 -2.869 -4.917 30 HG13 ILE 5 3HG1 ILE 5 4.215 -2.605 -4.302 31 HG21 ILE 5 1HG2 ILE 5 5.184 -6.447 -5.581 32 HG22 ILE 5 2HG2 ILE 5 5.895 -5.298 -6.714 33 HG23 ILE 5 3HG2 ILE 5 6.396 -5.294 -5.023 34 HD11 ILE 5 1HD1 ILE 5 5.505 -4.922 -3.117 35 HD12 ILE 5 2HD1 ILE 5 6.383 -3.418 -2.838 36 HD13 ILE 5 3HD1 ILE 5 4.693 -3.555 -2.352 37 H LYS 6 H LYS 6 1.473 -4.558 -6.713 38 HA LYS 6 HA LYS 6 1.841 -7.043 -8.097 39 HB2 LYS 6 2HB LYS 6 -0.480 -7.388 -7.792 40 HB3 LYS 6 3HB LYS 6 0.068 -6.553 -6.345 41 HG2 LYS 6 2HG LYS 6 -0.798 -4.451 -7.209 42 HG3 LYS 6 3HG LYS 6 -1.316 -5.263 -8.689 43 HD2 LYS 6 2HD LYS 6 -3.178 -4.952 -7.123 44 HD3 LYS 6 3HD LYS 6 -2.843 -6.661 -7.407 45 HE2 LYS 6 2HE LYS 6 -1.300 -5.662 -5.185 46 HE3 LYS 6 3HE LYS 6 -3.019 -5.351 -4.945 47 HZ1 LYS 6 1HZ LYS 6 -2.819 -7.937 -5.906 48 HZ2 LYS 6 2HZ LYS 6 -3.223 -7.455 -4.336 49 HZ3 LYS 6 3HZ LYS 6 -1.612 -7.793 -4.729 50 H VAL 7 H VAL 7 0.749 -3.812 -8.940 51 HA VAL 7 HA VAL 7 -0.252 -4.458 -11.516 52 HB VAL 7 HB VAL 7 0.764 -1.819 -10.450 53 HG11 VAL 7 1HG1 VAL 7 -0.630 -0.857 -12.289 54 HG12 VAL 7 2HG1 VAL 7 0.801 -1.731 -12.838 55 HG13 VAL 7 3HG1 VAL 7 -0.790 -2.486 -12.944 56 HG21 VAL 7 1HG2 VAL 7 -1.231 -1.501 -9.484 57 HG22 VAL 7 2HG2 VAL 7 -2.107 -2.183 -10.854 58 HG23 VAL 7 3HG2 VAL 7 -1.423 -3.248 -9.626 59 H ILE 8 H ILE 8 2.924 -3.763 -10.268 60 HA ILE 8 HA ILE 8 4.055 -3.485 -12.940 61 HB ILE 8 HB ILE 8 5.399 -3.390 -10.236 62 HG12 ILE 8 2HG1 ILE 8 4.812 -1.128 -12.152 63 HG13 ILE 8 3HG1 ILE 8 3.785 -1.532 -10.782 64 HG21 ILE 8 1HG2 ILE 8 7.013 -4.094 -11.826 65 HG22 ILE 8 2HG2 ILE 8 6.452 -2.919 -13.014 66 HG23 ILE 8 3HG2 ILE 8 7.282 -2.372 -11.557 67 HD11 ILE 8 1HD1 ILE 8 6.582 -0.463 -10.767 68 HD12 ILE 8 2HD1 ILE 8 5.128 0.228 -10.045 69 HD13 ILE 8 3HD1 ILE 8 5.859 -1.218 -9.347 70 H SER 9 H SER 9 4.128 -5.705 -10.193 71 HA SER 9 HA SER 9 6.064 -7.472 -11.249 72 HB2 SER 9 2HB SER 9 5.672 -7.640 -8.926 73 HB3 SER 9 3HB SER 9 3.927 -7.771 -9.145 74 HG SER 9 HG SER 9 5.691 -9.730 -8.965 75 H SER 10 H SER 10 2.834 -6.891 -12.097 76 HA SER 10 HA SER 10 2.583 -9.519 -13.393 77 HB2 SER 10 2HB SER 10 0.727 -8.875 -11.894 78 HB3 SER 10 3HB SER 10 0.448 -7.435 -12.873 79 HG SER 10 HG SER 10 -0.957 -9.072 -13.516 80 H ALA 11 H ALA 11 2.707 -6.078 -13.965 81 HA ALA 11 HA ALA 11 1.989 -6.258 -16.744 82 HB1 ALA 11 1HB ALA 11 2.859 -3.852 -16.746 83 HB2 ALA 11 2HB ALA 11 1.444 -4.210 -15.755 84 HB3 ALA 11 3HB ALA 11 3.030 -4.048 -15.002 85 H CYS 12 H CYS 12 4.997 -5.856 -14.911 86 HA CYS 12 HA CYS 12 6.749 -5.479 -17.036 87 HB2 CYS 12 2HB CYS 12 7.037 -6.582 -14.271 88 HB3 CYS 12 3HB CYS 12 8.388 -6.730 -15.389 89 HG CYS 12 HG CYS 12 8.797 -4.528 -13.687 90 H LYS 13 H LYS 13 5.277 -8.401 -15.805 91 HA LYS 13 HA LYS 13 6.960 -10.239 -17.170 92 HB2 LYS 13 2HB LYS 13 4.100 -10.713 -16.329 93 HB3 LYS 13 3HB LYS 13 5.364 -11.914 -16.555 94 HG2 LYS 13 2HG LYS 13 5.393 -9.778 -14.434 95 HG3 LYS 13 3HG LYS 13 4.865 -11.444 -14.185 96 HD2 LYS 13 2HD LYS 13 7.603 -10.694 -15.196 97 HD3 LYS 13 3HD LYS 13 7.230 -10.957 -13.491 98 HE2 LYS 13 2HE LYS 13 6.228 -13.216 -14.438 99 HE3 LYS 13 3HE LYS 13 7.382 -12.905 -15.734 100 HZ1 LYS 13 1HZ LYS 13 9.106 -13.387 -14.418 101 HZ2 LYS 13 2HZ LYS 13 7.969 -14.163 -13.435 102 HZ3 LYS 13 3HZ LYS 13 8.460 -12.584 -13.076 103 H THR 14 H THR 14 4.631 -8.087 -18.276 104 HA THR 14 HA THR 14 4.129 -9.691 -20.695 105 HB THR 14 HB THR 14 2.559 -7.390 -19.523 106 HG1 THR 14 HG1 THR 14 1.982 -9.295 -18.556 107 HG21 THR 14 1HG2 THR 14 2.095 -6.915 -21.684 108 HG22 THR 14 2HG2 THR 14 1.025 -8.311 -21.556 109 HG23 THR 14 3HG2 THR 14 2.634 -8.494 -22.255 110 H TYR 15 H TYR 15 5.498 -6.756 -19.462 111 HA TYR 15 HA TYR 15 5.875 -5.671 -22.150 112 HB2 TYR 15 2HB TYR 15 6.429 -4.515 -19.413 113 HB3 TYR 15 3HB TYR 15 6.812 -3.692 -20.922 114 HD1 TYR 15 HD1 TYR 15 4.808 -3.386 -22.579 115 HD2 TYR 15 HD2 TYR 15 4.370 -4.147 -18.416 116 HE1 TYR 15 HE1 TYR 15 2.531 -2.457 -22.654 117 HE2 TYR 15 HE2 TYR 15 2.092 -3.221 -18.480 118 HH TYR 15 HH TYR 15 0.681 -1.891 -19.753 119 H CYS 16 H CYS 16 7.884 -6.268 -19.261 120 HA CYS 16 HA CYS 16 10.354 -5.973 -20.552 121 HB2 CYS 16 2HB CYS 16 9.734 -7.672 -18.127 122 HB3 CYS 16 3HB CYS 16 11.318 -7.070 -18.597 123 HG CYS 16 HG CYS 16 9.662 -4.386 -18.448 124 H GLY 17 H GLY 17 8.323 -8.818 -20.022 125 HA2 GLY 17 2HA GLY 17 8.299 -10.854 -21.089 126 HA3 GLY 17 3HA GLY 17 9.356 -10.151 -22.304 127 H LYS 18 H LYS 18 9.209 -11.904 -19.286 128 HA LYS 18 HA LYS 18 10.733 -13.157 -18.151 129 HB2 LYS 18 2HB LYS 18 10.687 -14.275 -20.431 130 HB3 LYS 18 3HB LYS 18 12.169 -13.401 -20.794 131 HG2 LYS 18 2HG LYS 18 12.790 -14.552 -18.409 132 HG3 LYS 18 3HG LYS 18 11.735 -15.769 -19.133 133 HD2 LYS 18 2HD LYS 18 13.815 -14.581 -20.877 134 HD3 LYS 18 3HD LYS 18 14.367 -15.666 -19.598 135 HE2 LYS 18 2HE LYS 18 12.736 -17.357 -20.421 136 HE3 LYS 18 3HE LYS 18 12.363 -16.281 -21.767 137 HZ1 LYS 18 1HZ LYS 18 14.087 -17.107 -22.852 138 HZ2 LYS 18 2HZ LYS 18 14.455 -18.128 -21.554 139 HZ3 LYS 18 3HZ LYS 18 15.140 -16.584 -21.634 140 H THR 19 H THR 19 11.174 -10.425 -17.962 141 HA THR 19 HA THR 19 13.986 -10.401 -17.297 142 HB THR 19 HB THR 19 13.652 -7.925 -18.615 143 HG1 THR 19 HG1 THR 19 12.706 -8.382 -20.460 144 HG21 THR 19 1HG2 THR 19 15.438 -8.931 -20.130 145 HG22 THR 19 2HG2 THR 19 15.281 -10.396 -19.160 146 HG23 THR 19 3HG2 THR 19 15.796 -8.888 -18.404 147 H SER 20 H SER 20 11.219 -10.094 -16.104 148 HA SER 20 HA SER 20 10.950 -7.416 -15.207 149 HB2 SER 20 2HB SER 20 9.522 -8.630 -13.371 150 HB3 SER 20 3HB SER 20 8.964 -8.612 -15.044 151 HG SER 20 HG SER 20 10.361 -10.713 -13.743 152 HA PRO 21 HA PRO 21 13.766 -7.132 -11.855 153 HB2 PRO 21 2HB PRO 21 12.342 -5.712 -10.031 154 HB3 PRO 21 3HB PRO 21 12.987 -4.998 -11.514 155 HG2 PRO 21 2HG PRO 21 10.215 -5.963 -10.927 156 HG3 PRO 21 3HG PRO 21 10.732 -4.489 -11.767 157 HD2 PRO 21 2HD PRO 21 9.881 -6.696 -13.085 158 HD3 PRO 21 3HD PRO 21 11.112 -5.602 -13.749 159 H SER 22 H SER 22 13.579 -7.165 -9.224 160 HA SER 22 HA SER 22 12.439 -9.808 -8.631 161 HB2 SER 22 2HB SER 22 14.985 -8.730 -8.154 162 HB3 SER 22 3HB SER 22 14.201 -8.780 -6.575 163 HG SER 22 HG SER 22 15.137 -10.820 -8.110 164 H LYS 23 H LYS 23 11.086 -10.135 -6.913 165 HA LYS 23 HA LYS 23 9.341 -8.148 -6.128 166 HB2 LYS 23 2HB LYS 23 8.915 -10.569 -5.878 167 HB3 LYS 23 3HB LYS 23 10.079 -10.627 -4.560 168 HG2 LYS 23 2HG LYS 23 8.661 -9.025 -3.306 169 HG3 LYS 23 3HG LYS 23 7.466 -9.132 -4.601 170 HD2 LYS 23 2HD LYS 23 6.956 -11.351 -4.113 171 HD3 LYS 23 3HD LYS 23 8.466 -11.605 -3.235 172 HE2 LYS 23 2HE LYS 23 7.676 -10.629 -1.323 173 HE3 LYS 23 3HE LYS 23 6.561 -9.575 -2.192 174 HZ1 LYS 23 1HZ LYS 23 5.384 -11.277 -0.950 175 HZ2 LYS 23 2HZ LYS 23 6.210 -12.496 -1.781 176 HZ3 LYS 23 3HZ LYS 23 5.140 -11.482 -2.611 177 H LYS 24 H LYS 24 12.282 -9.264 -4.514 178 HA LYS 24 HA LYS 24 11.969 -7.601 -2.222 179 HB2 LYS 24 2HB LYS 24 13.341 -9.593 -2.100 180 HB3 LYS 24 3HB LYS 24 14.399 -8.986 -3.368 181 HG2 LYS 24 2HG LYS 24 15.402 -8.766 -1.152 182 HG3 LYS 24 3HG LYS 24 15.154 -7.196 -1.919 183 HD2 LYS 24 2HD LYS 24 13.390 -6.646 -0.506 184 HD3 LYS 24 3HD LYS 24 13.090 -8.329 -0.067 185 HE2 LYS 24 2HE LYS 24 14.369 -8.082 1.730 186 HE3 LYS 24 3HE LYS 24 15.745 -7.701 0.696 187 HZ1 LYS 24 1HZ LYS 24 14.039 -5.457 0.915 188 HZ2 LYS 24 2HZ LYS 24 15.666 -5.602 1.353 189 HZ3 LYS 24 3HZ LYS 24 14.454 -6.008 2.460 190 H GLU 25 H GLU 25 13.303 -7.152 -5.397 191 HA GLU 25 HA GLU 25 14.841 -4.823 -4.763 192 HB2 GLU 25 2HB GLU 25 14.004 -6.206 -7.277 193 HB3 GLU 25 3HB GLU 25 14.605 -4.558 -7.378 194 HG2 GLU 25 2HG GLU 25 16.520 -5.650 -5.846 195 HG3 GLU 25 3HG GLU 25 16.029 -7.063 -6.779 196 H ILE 26 H ILE 26 11.675 -5.383 -6.270 197 HA ILE 26 HA ILE 26 10.983 -2.793 -6.914 198 HB ILE 26 HB ILE 26 9.154 -4.940 -5.834 199 HG12 ILE 26 2HG1 ILE 26 9.760 -4.191 -8.700 200 HG13 ILE 26 3HG1 ILE 26 10.506 -5.545 -7.858 201 HG21 ILE 26 1HG2 ILE 26 8.522 -2.451 -7.414 202 HG22 ILE 26 2HG2 ILE 26 7.372 -3.721 -6.999 203 HG23 ILE 26 3HG2 ILE 26 8.110 -2.749 -5.726 204 HD11 ILE 26 1HD1 ILE 26 7.602 -5.575 -7.716 205 HD12 ILE 26 2HD1 ILE 26 8.227 -5.648 -9.364 206 HD13 ILE 26 3HD1 ILE 26 8.733 -6.847 -8.174 207 H GLY 27 H GLY 27 10.721 -4.431 -3.788 208 HA2 GLY 27 2HA GLY 27 9.420 -2.221 -2.501 209 HA3 GLY 27 3HA GLY 27 10.097 -3.637 -1.711 210 H ALA 28 H ALA 28 12.695 -3.031 -3.198 211 HA ALA 28 HA ALA 28 13.734 -1.222 -1.156 212 HB1 ALA 28 1HB ALA 28 15.138 -3.001 -3.144 213 HB2 ALA 28 2HB ALA 28 15.953 -1.977 -1.961 214 HB3 ALA 28 3HB ALA 28 14.919 -3.299 -1.419 215 H MET 29 H MET 29 12.437 -0.857 -4.125 216 HA MET 29 HA MET 29 14.289 1.293 -4.904 217 HB2 MET 29 2HB MET 29 13.996 -0.378 -6.639 218 HB3 MET 29 3HB MET 29 12.247 -0.217 -6.543 219 HG2 MET 29 2HG MET 29 12.549 2.187 -7.230 220 HG3 MET 29 3HG MET 29 14.231 1.788 -7.571 221 HE1 MET 29 1HE MET 29 10.637 0.184 -8.234 222 HE2 MET 29 2HE MET 29 10.653 1.856 -8.793 223 HE3 MET 29 3HE MET 29 10.528 0.537 -9.959 224 H LEU 30 H LEU 30 10.811 0.524 -4.789 225 HA LEU 30 HA LEU 30 9.828 3.072 -5.290 226 HB2 LEU 30 2HB LEU 30 8.795 0.655 -3.913 227 HB3 LEU 30 3HB LEU 30 7.923 2.167 -3.670 228 HG LEU 30 HG LEU 30 6.892 0.875 -5.436 229 HD11 LEU 30 1HD1 LEU 30 7.745 3.530 -5.642 230 HD12 LEU 30 2HD1 LEU 30 6.408 2.760 -6.496 231 HD13 LEU 30 3HD1 LEU 30 8.009 2.816 -7.233 232 HD21 LEU 30 1HD2 LEU 30 8.681 -0.481 -6.211 233 HD22 LEU 30 2HD2 LEU 30 9.637 0.929 -6.672 234 HD23 LEU 30 3HD2 LEU 30 8.173 0.523 -7.569 235 H SER 31 H SER 31 11.225 1.740 -2.401 236 HA SER 31 HA SER 31 10.287 3.882 -0.700 237 HB2 SER 31 2HB SER 31 10.526 1.920 0.523 238 HB3 SER 31 3HB SER 31 12.008 1.458 -0.314 239 HG SER 31 HG SER 31 11.638 3.194 1.836 240 H LEU 32 H LEU 32 13.052 3.176 -2.658 241 HA LEU 32 HA LEU 32 14.835 5.027 -1.404 242 HB2 LEU 32 2HB LEU 32 15.684 3.149 -2.677 243 HB3 LEU 32 3HB LEU 32 14.889 3.746 -4.133 244 HG LEU 32 HG LEU 32 16.409 5.563 -4.320 245 HD11 LEU 32 1HD1 LEU 32 16.776 6.438 -2.231 246 HD12 LEU 32 2HD1 LEU 32 18.314 5.628 -2.529 247 HD13 LEU 32 3HD1 LEU 32 17.099 4.862 -1.506 248 HD21 LEU 32 1HD2 LEU 32 17.224 3.369 -5.086 249 HD22 LEU 32 2HD2 LEU 32 17.982 3.118 -3.513 250 HD23 LEU 32 3HD2 LEU 32 18.533 4.427 -4.560 251 H LEU 33 H LEU 33 12.879 5.102 -4.373 252 HA LEU 33 HA LEU 33 13.588 7.590 -5.332 253 HB2 LEU 33 2HB LEU 33 10.813 6.415 -5.370 254 HB3 LEU 33 3HB LEU 33 11.455 7.634 -6.469 255 HG LEU 33 HG LEU 33 12.666 4.893 -6.312 256 HD11 LEU 33 1HD1 LEU 33 10.099 4.972 -6.777 257 HD12 LEU 33 2HD1 LEU 33 11.156 3.991 -7.792 258 HD13 LEU 33 3HD1 LEU 33 10.603 5.567 -8.359 259 HD21 LEU 33 1HD2 LEU 33 12.527 6.976 -8.490 260 HD22 LEU 33 2HD2 LEU 33 13.352 5.420 -8.595 261 HD23 LEU 33 3HD2 LEU 33 13.921 6.646 -7.460 262 H GLN 34 H GLN 34 11.533 6.776 -2.636 263 HA GLN 34 HA GLN 34 10.332 9.344 -2.351 264 HB2 GLN 34 2HB GLN 34 10.675 7.108 -0.346 265 HB3 GLN 34 3HB GLN 34 9.658 8.524 -0.114 266 HG2 GLN 34 2HG GLN 34 8.258 7.863 -1.973 267 HG3 GLN 34 3HG GLN 34 9.305 6.482 -2.296 268 HE21 GLN 34 1HE2 GLN 34 6.545 7.514 -0.760 269 HE22 GLN 34 2HE2 GLN 34 6.313 6.177 0.310 270 H LYS 35 H LYS 35 12.822 7.686 -0.405 271 HA LYS 35 HA LYS 35 13.515 9.897 1.161 272 HB2 LYS 35 2HB LYS 35 15.685 8.644 1.516 273 HB3 LYS 35 3HB LYS 35 14.217 7.751 1.892 274 HG2 LYS 35 2HG LYS 35 14.372 6.510 -0.147 275 HG3 LYS 35 3HG LYS 35 15.715 7.509 -0.708 276 HD2 LYS 35 2HD LYS 35 15.933 6.006 1.871 277 HD3 LYS 35 3HD LYS 35 16.194 5.175 0.336 278 HE2 LYS 35 2HE LYS 35 18.310 5.875 0.509 279 HE3 LYS 35 3HE LYS 35 17.687 7.457 0.043 280 HZ1 LYS 35 1HZ LYS 35 19.021 6.885 2.342 281 HZ2 LYS 35 2HZ LYS 35 17.407 6.936 2.846 282 HZ3 LYS 35 3HZ LYS 35 18.090 8.269 2.060 283 H GLU 36 H GLU 36 14.665 8.841 -1.991 284 HA GLU 36 HA GLU 36 16.883 10.555 -2.198 285 HB2 GLU 36 2HB GLU 36 15.376 8.800 -3.946 286 HB3 GLU 36 3HB GLU 36 15.871 10.263 -4.785 287 HG2 GLU 36 2HG GLU 36 18.164 9.591 -3.503 288 HG3 GLU 36 3HG GLU 36 17.468 8.004 -3.827 289 H GLY 37 H GLY 37 13.541 11.208 -2.236 290 HA2 GLY 37 2HA GLY 37 12.556 13.325 -2.190 291 HA3 GLY 37 3HA GLY 37 14.071 14.016 -2.754 292 H LEU 38 H LEU 38 12.753 11.307 -4.447 293 HA LEU 38 HA LEU 38 12.380 12.968 -6.800 294 HB2 LEU 38 2HB LEU 38 12.225 9.985 -6.400 295 HB3 LEU 38 3HB LEU 38 12.025 10.797 -7.952 296 HG LEU 38 HG LEU 38 14.535 10.761 -6.277 297 HD11 LEU 38 1HD1 LEU 38 14.711 8.726 -7.210 298 HD12 LEU 38 2HD1 LEU 38 15.165 9.633 -8.653 299 HD13 LEU 38 3HD1 LEU 38 13.505 9.072 -8.449 300 HD21 LEU 38 1HD2 LEU 38 14.979 11.601 -8.946 301 HD22 LEU 38 2HD2 LEU 38 15.222 12.510 -7.454 302 HD23 LEU 38 3HD2 LEU 38 13.667 12.577 -8.285 303 H LEU 39 H LEU 39 10.458 10.491 -5.093 304 HA LEU 39 HA LEU 39 8.035 11.939 -5.938 305 HB2 LEU 39 2HB LEU 39 6.965 9.589 -5.778 306 HB3 LEU 39 3HB LEU 39 7.883 10.032 -7.216 307 HG LEU 39 HG LEU 39 9.849 8.821 -6.140 308 HD11 LEU 39 1HD1 LEU 39 9.079 6.995 -4.561 309 HD12 LEU 39 2HD1 LEU 39 7.614 7.949 -4.330 310 HD13 LEU 39 3HD1 LEU 39 9.184 8.623 -3.890 311 HD21 LEU 39 1HD2 LEU 39 7.854 6.734 -6.573 312 HD22 LEU 39 2HD2 LEU 39 9.337 7.089 -7.459 313 HD23 LEU 39 3HD2 LEU 39 7.858 7.979 -7.822 314 H MET 40 H MET 40 6.103 11.323 -4.541 315 HA MET 40 HA MET 40 6.960 11.412 -1.738 316 HB2 MET 40 2HB MET 40 4.965 12.793 -3.249 317 HB3 MET 40 3HB MET 40 4.168 11.875 -1.979 318 HG2 MET 40 2HG MET 40 4.651 13.527 -0.594 319 HG3 MET 40 3HG MET 40 6.345 13.061 -0.729 320 HE1 MET 40 1HE MET 40 7.984 15.703 -2.814 321 HE2 MET 40 2HE MET 40 8.113 14.671 -1.390 322 HE3 MET 40 3HE MET 40 7.793 13.956 -2.971 323 H SER 41 H SER 41 5.254 9.472 -4.030 324 HA SER 41 HA SER 41 4.868 7.422 -1.987 325 HB2 SER 41 2HB SER 41 2.717 8.941 -3.184 326 HB3 SER 41 3HB SER 41 2.567 7.230 -3.585 327 HG SER 41 HG SER 41 1.547 7.806 -1.589 328 HA PRO 42 HA PRO 42 6.153 4.609 -5.096 329 HB2 PRO 42 2HB PRO 42 4.629 2.422 -4.583 330 HB3 PRO 42 3HB PRO 42 5.957 2.936 -3.535 331 HG2 PRO 42 2HG PRO 42 3.014 3.391 -3.226 332 HG3 PRO 42 3HG PRO 42 4.209 2.926 -2.001 333 HD2 PRO 42 2HD PRO 42 3.312 5.466 -2.270 334 HD3 PRO 42 3HD PRO 42 4.960 5.088 -1.732 335 H SER 43 H SER 43 2.752 5.356 -4.878 336 HA SER 43 HA SER 43 1.991 4.071 -7.315 337 HB2 SER 43 2HB SER 43 0.019 5.868 -6.957 338 HB3 SER 43 3HB SER 43 0.108 4.355 -6.056 339 HG SER 43 HG SER 43 0.915 6.938 -5.224 340 H ASP 44 H ASP 44 3.811 6.787 -6.689 341 HA ASP 44 HA ASP 44 2.900 8.506 -8.776 342 HB2 ASP 44 2HB ASP 44 4.591 8.799 -6.635 343 HB3 ASP 44 3HB ASP 44 5.716 8.773 -7.990 344 H LEU 45 H LEU 45 4.502 5.583 -8.834 345 HA LEU 45 HA LEU 45 6.399 5.947 -10.878 346 HB2 LEU 45 2HB LEU 45 5.409 3.818 -9.338 347 HB3 LEU 45 3HB LEU 45 5.177 3.353 -11.021 348 HG LEU 45 HG LEU 45 7.604 3.793 -11.403 349 HD11 LEU 45 1HD1 LEU 45 8.404 5.199 -9.797 350 HD12 LEU 45 2HD1 LEU 45 8.881 3.652 -9.097 351 HD13 LEU 45 3HD1 LEU 45 7.433 4.474 -8.516 352 HD21 LEU 45 1HD2 LEU 45 8.368 1.750 -10.260 353 HD22 LEU 45 2HD2 LEU 45 6.808 1.534 -11.053 354 HD23 LEU 45 3HD2 LEU 45 6.887 1.749 -9.303 355 H TYR 46 H TYR 46 3.005 5.998 -10.955 356 HA TYR 46 HA TYR 46 2.849 5.277 -13.778 357 HB2 TYR 46 2HB TYR 46 0.605 6.160 -11.958 358 HB3 TYR 46 3HB TYR 46 0.461 5.346 -13.512 359 HD1 TYR 46 HD1 TYR 46 2.362 3.158 -13.309 360 HD2 TYR 46 HD2 TYR 46 -0.271 4.729 -10.359 361 HE1 TYR 46 HE1 TYR 46 2.348 0.979 -12.169 362 HE2 TYR 46 HE2 TYR 46 -0.292 2.554 -9.211 363 HH TYR 46 HH TYR 46 0.264 0.375 -9.386 364 H SER 47 H SER 47 4.171 7.758 -12.701 365 HA SER 47 HA SER 47 2.538 9.766 -14.108 366 HB2 SER 47 2HB SER 47 3.189 10.077 -11.617 367 HB3 SER 47 3HB SER 47 4.798 10.445 -12.240 368 HG SER 47 HG SER 47 4.100 12.315 -12.909 369 HA PRO 48 HA PRO 48 6.065 9.049 -16.947 370 HB2 PRO 48 2HB PRO 48 4.640 9.616 -19.187 371 HB3 PRO 48 3HB PRO 48 4.639 8.021 -18.426 372 HG2 PRO 48 2HG PRO 48 2.621 10.221 -18.214 373 HG3 PRO 48 3HG PRO 48 2.359 8.479 -18.410 374 HD2 PRO 48 2HD PRO 48 2.131 9.726 -16.017 375 HD3 PRO 48 3HD PRO 48 2.693 8.049 -16.170 376 H GLY 49 H GLY 49 7.100 10.939 -16.106 377 HA2 GLY 49 2HA GLY 49 7.361 13.052 -17.907 378 HA3 GLY 49 3HA GLY 49 6.237 13.574 -16.662 379 H SER 50 H SER 50 7.588 11.952 -14.598 380 HA SER 50 HA SER 50 9.800 13.810 -14.097 381 HB2 SER 50 2HB SER 50 7.920 12.283 -12.360 382 HB3 SER 50 3HB SER 50 9.534 12.610 -11.729 383 HG SER 50 HG SER 50 7.725 14.227 -11.411 384 H TRP 51 H TRP 51 9.478 10.926 -15.478 385 HA TRP 51 HA TRP 51 11.395 9.334 -14.095 386 HB2 TRP 51 2HB TRP 51 10.441 9.127 -16.960 387 HB3 TRP 51 3HB TRP 51 11.312 7.882 -16.068 388 HD1 TRP 51 HD1 TRP 51 9.405 8.550 -13.362 389 HE1 TRP 51 HE1 TRP 51 7.091 7.424 -13.320 390 HE3 TRP 51 HE3 TRP 51 8.933 7.481 -18.338 391 HZ2 TRP 51 HZ2 TRP 51 5.303 6.238 -15.154 392 HZ3 TRP 51 HZ3 TRP 51 6.890 6.348 -19.113 393 HH2 TRP 51 HH2 TRP 51 5.114 5.740 -17.552 394 H ASP 52 H ASP 52 11.608 11.915 -16.350 395 HA ASP 52 HA ASP 52 14.044 11.353 -17.607 396 HB2 ASP 52 2HB ASP 52 12.342 13.707 -17.204 397 HB3 ASP 52 3HB ASP 52 14.053 14.093 -17.361 398 HA PRO 53 HA PRO 53 16.253 13.840 -14.112 399 HB2 PRO 53 2HB PRO 53 14.781 14.530 -11.938 400 HB3 PRO 53 3HB PRO 53 14.920 15.557 -13.370 401 HG2 PRO 53 2HG PRO 53 12.719 13.685 -12.587 402 HG3 PRO 53 3HG PRO 53 12.609 15.321 -13.262 403 HD2 PRO 53 2HD PRO 53 12.276 13.098 -14.771 404 HD3 PRO 53 3HD PRO 53 12.982 14.593 -15.417 405 H ILE 54 H ILE 54 13.782 11.510 -13.261 406 HA ILE 54 HA ILE 54 15.119 10.539 -10.918 407 HB ILE 54 HB ILE 54 12.860 9.396 -12.558 408 HG12 ILE 54 2HG1 ILE 54 12.828 10.526 -9.757 409 HG13 ILE 54 3HG1 ILE 54 12.505 11.500 -11.187 410 HG21 ILE 54 1HG2 ILE 54 13.628 7.452 -11.648 411 HG22 ILE 54 2HG2 ILE 54 14.380 8.262 -10.275 412 HG23 ILE 54 3HG2 ILE 54 12.634 8.022 -10.308 413 HD11 ILE 54 1HD1 ILE 54 10.665 10.074 -9.700 414 HD12 ILE 54 2HD1 ILE 54 10.411 10.786 -11.294 415 HD13 ILE 54 3HD1 ILE 54 10.901 9.098 -11.150 416 H THR 55 H THR 55 14.898 9.542 -14.297 417 HA THR 55 HA THR 55 16.318 7.102 -13.979 418 HB THR 55 HB THR 55 15.871 8.791 -16.447 419 HG1 THR 55 HG1 THR 55 14.018 7.765 -16.559 420 HG21 THR 55 1HG2 THR 55 16.959 5.991 -16.149 421 HG22 THR 55 2HG2 THR 55 17.788 7.390 -16.831 422 HG23 THR 55 3HG2 THR 55 16.409 6.685 -17.674 423 H ALA 56 H ALA 56 17.282 10.359 -15.005 424 HA ALA 56 HA ALA 56 20.000 9.680 -15.493 425 HB1 ALA 56 1HB ALA 56 19.889 11.660 -16.486 426 HB2 ALA 56 2HB ALA 56 18.345 12.007 -15.705 427 HB3 ALA 56 3HB ALA 56 19.856 12.422 -14.895 428 H ALA 57 H ALA 57 18.198 10.546 -12.660 429 HA ALA 57 HA ALA 57 20.424 11.347 -11.061 430 HB1 ALA 57 1HB ALA 57 18.779 10.964 -9.162 431 HB2 ALA 57 2HB ALA 57 18.329 12.164 -10.374 432 HB3 ALA 57 3HB ALA 57 17.599 10.559 -10.409 433 H LEU 58 H LEU 58 18.523 8.349 -11.299 434 HA LEU 58 HA LEU 58 20.022 6.926 -9.366 435 HB2 LEU 58 2HB LEU 58 18.295 5.954 -11.636 436 HB3 LEU 58 3HB LEU 58 18.960 4.916 -10.377 437 HG LEU 58 HG LEU 58 17.140 7.225 -9.749 438 HD11 LEU 58 1HD1 LEU 58 15.555 5.057 -9.482 439 HD12 LEU 58 2HD1 LEU 58 16.495 4.597 -10.901 440 HD13 LEU 58 3HD1 LEU 58 15.573 6.100 -10.903 441 HD21 LEU 58 1HD2 LEU 58 16.686 5.672 -7.771 442 HD22 LEU 58 2HD2 LEU 58 18.243 6.500 -7.816 443 HD23 LEU 58 3HD2 LEU 58 18.133 4.802 -8.281 444 H SER 59 H SER 59 20.402 7.443 -12.800 445 HA SER 59 HA SER 59 22.300 5.375 -13.249 446 HB2 SER 59 2HB SER 59 21.150 6.222 -15.157 447 HB3 SER 59 3HB SER 59 21.602 7.884 -14.779 448 HG SER 59 HG SER 59 23.025 7.301 -16.310 449 H GLN 60 H GLN 60 22.498 8.625 -12.042 450 HA GLN 60 HA GLN 60 25.363 8.807 -12.373 451 HB2 GLN 60 2HB GLN 60 24.173 10.863 -12.554 452 HB3 GLN 60 3HB GLN 60 23.320 10.580 -11.043 453 HG2 GLN 60 2HG GLN 60 24.924 11.548 -9.862 454 HG3 GLN 60 3HG GLN 60 26.174 10.578 -10.640 455 HE21 GLN 60 1HE2 GLN 60 27.092 11.342 -12.599 456 HE22 GLN 60 2HE2 GLN 60 27.078 13.027 -12.982 457 H ARG 61 H ARG 61 23.074 8.044 -9.830 458 HA ARG 61 HA ARG 61 24.850 8.171 -7.646 459 HB2 ARG 61 2HB ARG 61 22.269 7.971 -7.675 460 HB3 ARG 61 3HB ARG 61 22.552 6.239 -7.789 461 HG2 ARG 61 2HG ARG 61 23.895 6.382 -5.703 462 HG3 ARG 61 3HG ARG 61 23.420 8.077 -5.571 463 HD2 ARG 61 2HD ARG 61 21.092 7.453 -5.422 464 HD3 ARG 61 3HD ARG 61 21.495 5.759 -5.697 465 HE ARG 61 HE ARG 61 22.009 5.576 -3.482 466 HH11 ARG 61 1HH1 ARG 61 22.050 8.943 -4.363 467 HH12 ARG 61 2HH1 ARG 61 22.283 9.500 -2.739 468 HH21 ARG 61 1HH2 ARG 61 22.316 6.295 -1.340 469 HH22 ARG 61 2HH2 ARG 61 22.435 7.993 -1.020 470 H ALA 62 H ALA 62 23.872 5.464 -9.727 471 HA ALA 62 HA ALA 62 25.223 3.401 -8.480 472 HB1 ALA 62 1HB ALA 62 23.861 2.675 -10.179 473 HB2 ALA 62 2HB ALA 62 24.417 3.916 -11.303 474 HB3 ALA 62 3HB ALA 62 25.445 2.530 -10.941 475 H MET 63 H MET 63 26.473 5.960 -10.505 476 HA MET 63 HA MET 63 29.070 4.733 -10.804 477 HB2 MET 63 2HB MET 63 28.170 7.549 -11.438 478 HB3 MET 63 3HB MET 63 29.688 6.815 -11.938 479 HG2 MET 63 2HG MET 63 28.140 5.037 -13.043 480 HG3 MET 63 3HG MET 63 26.923 6.304 -12.920 481 HE1 MET 63 1HE MET 63 27.959 8.708 -13.120 482 HE2 MET 63 2HE MET 63 29.483 9.030 -13.947 483 HE3 MET 63 3HE MET 63 27.960 9.126 -14.834 484 H ILE 64 H ILE 64 27.870 7.689 -9.206 485 HA ILE 64 HA ILE 64 30.197 8.431 -7.915 486 HB ILE 64 HB ILE 64 27.381 8.715 -6.860 487 HG12 ILE 64 2HG1 ILE 64 28.999 10.765 -8.368 488 HG13 ILE 64 3HG1 ILE 64 27.919 9.639 -9.182 489 HG21 ILE 64 1HG2 ILE 64 28.990 10.878 -6.078 490 HG22 ILE 64 2HG2 ILE 64 28.302 9.618 -5.055 491 HG23 ILE 64 3HG2 ILE 64 29.918 9.419 -5.733 492 HD11 ILE 64 1HD1 ILE 64 26.031 10.527 -7.958 493 HD12 ILE 64 2HD1 ILE 64 27.097 11.612 -7.065 494 HD13 ILE 64 3HD1 ILE 64 26.883 11.820 -8.803 495 H LEU 65 H LEU 65 27.620 6.299 -6.703 496 HA LEU 65 HA LEU 65 29.057 5.692 -4.290 497 HB2 LEU 65 2HB LEU 65 26.443 5.084 -5.450 498 HB3 LEU 65 3HB LEU 65 27.134 3.754 -4.523 499 HG LEU 65 HG LEU 65 26.960 6.500 -3.339 500 HD11 LEU 65 1HD1 LEU 65 24.788 5.503 -2.292 501 HD12 LEU 65 2HD1 LEU 65 24.748 4.548 -3.774 502 HD13 LEU 65 3HD1 LEU 65 24.730 6.309 -3.860 503 HD21 LEU 65 1HD2 LEU 65 28.269 4.983 -2.078 504 HD22 LEU 65 2HD2 LEU 65 27.088 3.688 -2.275 505 HD23 LEU 65 3HD2 LEU 65 26.706 5.085 -1.267 506 H GLY 66 H GLY 66 28.407 4.047 -7.356 507 HA2 GLY 66 2HA GLY 66 30.194 2.674 -8.289 508 HA3 GLY 66 3HA GLY 66 30.538 2.128 -6.654 509 H LYS 67 H LYS 67 27.556 1.951 -6.171 510 HA LYS 67 HA LYS 67 27.293 -0.792 -7.011 511 HB2 LYS 67 2HB LYS 67 25.397 -0.892 -5.593 512 HB3 LYS 67 3HB LYS 67 26.563 0.132 -4.765 513 HG2 LYS 67 2HG LYS 67 25.147 1.974 -6.169 514 HG3 LYS 67 3HG LYS 67 23.906 0.768 -5.821 515 HD2 LYS 67 2HD LYS 67 25.732 1.994 -3.755 516 HD3 LYS 67 3HD LYS 67 24.087 2.540 -4.088 517 HE2 LYS 67 2HE LYS 67 23.448 0.065 -3.659 518 HE3 LYS 67 3HE LYS 67 25.021 -0.031 -2.868 519 HZ1 LYS 67 1HZ LYS 67 23.202 2.153 -2.138 520 HZ2 LYS 67 2HZ LYS 67 24.372 1.370 -1.201 521 HZ3 LYS 67 3HZ LYS 67 22.898 0.605 -1.524 522 H SER 68 H SER 68 24.690 -1.202 -7.523 523 HA SER 68 HA SER 68 23.502 0.572 -9.373 524 HB2 SER 68 2HB SER 68 23.846 -1.053 -11.377 525 HB3 SER 68 3HB SER 68 25.129 0.091 -10.981 526 HG SER 68 HG SER 68 26.150 -1.614 -9.815 527 H GLY 69 H GLY 69 22.832 -1.147 -7.123 528 HA2 GLY 69 2HA GLY 69 21.287 -3.349 -8.163 529 HA3 GLY 69 3HA GLY 69 21.332 -2.800 -6.494 530 H GLU 70 H GLU 70 20.431 -0.309 -6.503 531 HA GLU 70 HA GLU 70 17.656 -0.588 -6.831 532 HB2 GLU 70 2HB GLU 70 19.157 2.025 -6.645 533 HB3 GLU 70 3HB GLU 70 17.490 1.716 -6.179 534 HG2 GLU 70 2HG GLU 70 18.137 1.224 -4.129 535 HG3 GLU 70 3HG GLU 70 19.150 -0.081 -4.744 536 H LEU 71 H LEU 71 20.015 1.296 -8.719 537 HA LEU 71 HA LEU 71 18.305 2.399 -10.587 538 HB2 LEU 71 2HB LEU 71 20.567 3.099 -10.528 539 HB3 LEU 71 3HB LEU 71 21.152 1.464 -10.827 540 HG LEU 71 HG LEU 71 20.163 1.615 -13.119 541 HD11 LEU 71 1HD1 LEU 71 18.530 3.391 -12.607 542 HD12 LEU 71 2HD1 LEU 71 19.544 3.776 -13.997 543 HD13 LEU 71 3HD1 LEU 71 19.861 4.536 -12.438 544 HD21 LEU 71 1HD2 LEU 71 21.896 3.431 -13.845 545 HD22 LEU 71 2HD2 LEU 71 22.445 1.910 -13.141 546 HD23 LEU 71 3HD2 LEU 71 22.376 3.367 -12.149 547 H LYS 72 H LYS 72 19.785 -0.807 -10.555 548 HA LYS 72 HA LYS 72 19.087 -1.669 -13.102 549 HB2 LYS 72 2HB LYS 72 19.814 -2.938 -10.554 550 HB3 LYS 72 3HB LYS 72 18.821 -3.947 -11.598 551 HG2 LYS 72 2HG LYS 72 21.342 -2.593 -12.523 552 HG3 LYS 72 3HG LYS 72 21.297 -4.228 -11.858 553 HD2 LYS 72 2HD LYS 72 19.347 -3.704 -13.994 554 HD3 LYS 72 3HD LYS 72 21.038 -3.624 -14.495 555 HE2 LYS 72 2HE LYS 72 20.192 -5.915 -12.802 556 HE3 LYS 72 3HE LYS 72 19.670 -5.900 -14.486 557 HZ1 LYS 72 1HZ LYS 72 22.412 -5.234 -14.308 558 HZ2 LYS 72 2HZ LYS 72 21.682 -6.523 -15.124 559 HZ3 LYS 72 3HZ LYS 72 22.128 -6.693 -13.501 560 H THR 73 H THR 73 17.182 -1.589 -10.139 561 HA THR 73 HA THR 73 14.963 -3.037 -11.174 562 HB THR 73 HB THR 73 14.857 -1.038 -8.917 563 HG1 THR 73 HG1 THR 73 15.796 -2.494 -7.635 564 HG21 THR 73 1HG2 THR 73 12.847 -1.911 -8.417 565 HG22 THR 73 2HG2 THR 73 13.381 -3.561 -8.738 566 HG23 THR 73 3HG2 THR 73 12.869 -2.525 -10.069 567 H TRP 74 H TRP 74 15.792 0.384 -10.988 568 HA TRP 74 HA TRP 74 13.284 1.387 -11.823 569 HB2 TRP 74 2HB TRP 74 14.926 2.815 -10.719 570 HB3 TRP 74 3HB TRP 74 16.045 2.602 -12.063 571 HD1 TRP 74 HD1 TRP 74 16.101 4.670 -13.548 572 HE1 TRP 74 HE1 TRP 74 14.407 6.447 -14.321 573 HE3 TRP 74 HE3 TRP 74 11.954 2.958 -11.097 574 HZ2 TRP 74 HZ2 TRP 74 11.674 7.045 -13.941 575 HZ3 TRP 74 HZ3 TRP 74 9.840 4.190 -11.354 576 HH2 TRP 74 HH2 TRP 74 9.705 6.191 -12.747 577 H GLY 75 H GLY 75 16.243 0.563 -13.599 578 HA2 GLY 75 2HA GLY 75 15.427 1.448 -16.130 579 HA3 GLY 75 3HA GLY 75 16.615 0.188 -15.832 580 H LEU 76 H LEU 76 14.618 -1.447 -14.363 581 HA LEU 76 HA LEU 76 13.453 -2.709 -16.711 582 HB2 LEU 76 2HB LEU 76 13.963 -3.527 -13.890 583 HB3 LEU 76 3HB LEU 76 12.738 -4.387 -14.821 584 HG LEU 76 HG LEU 76 15.658 -4.140 -15.546 585 HD11 LEU 76 1HD1 LEU 76 14.055 -6.204 -14.124 586 HD12 LEU 76 2HD1 LEU 76 15.709 -5.661 -13.840 587 HD13 LEU 76 3HD1 LEU 76 15.352 -6.727 -15.199 588 HD21 LEU 76 1HD2 LEU 76 13.349 -5.539 -16.880 589 HD22 LEU 76 2HD2 LEU 76 15.040 -5.892 -17.234 590 HD23 LEU 76 3HD2 LEU 76 14.389 -4.284 -17.553 591 H VAL 77 H VAL 77 12.335 -1.654 -13.494 592 HA VAL 77 HA VAL 77 9.621 -2.096 -13.837 593 HB VAL 77 HB VAL 77 10.972 0.098 -12.260 594 HG11 VAL 77 1HG1 VAL 77 8.921 0.935 -12.000 595 HG12 VAL 77 2HG1 VAL 77 8.163 -0.477 -12.740 596 HG13 VAL 77 3HG1 VAL 77 8.577 -0.493 -11.025 597 HG21 VAL 77 1HG2 VAL 77 11.072 -1.348 -10.471 598 HG22 VAL 77 2HG2 VAL 77 9.772 -2.369 -11.084 599 HG23 VAL 77 3HG2 VAL 77 11.374 -2.449 -11.815 600 H LEU 78 H LEU 78 11.626 0.504 -15.027 601 HA LEU 78 HA LEU 78 9.426 2.184 -15.800 602 HB2 LEU 78 2HB LEU 78 11.762 2.957 -15.225 603 HB3 LEU 78 3HB LEU 78 12.263 2.326 -16.792 604 HG LEU 78 HG LEU 78 10.827 3.922 -17.924 605 HD11 LEU 78 1HD1 LEU 78 9.600 4.113 -15.345 606 HD12 LEU 78 2HD1 LEU 78 9.044 4.742 -16.896 607 HD13 LEU 78 3HD1 LEU 78 10.113 5.713 -15.883 608 HD21 LEU 78 1HD2 LEU 78 13.165 4.490 -16.612 609 HD22 LEU 78 2HD2 LEU 78 12.100 5.791 -16.079 610 HD23 LEU 78 3HD2 LEU 78 12.377 5.528 -17.801 611 H GLY 79 H GLY 79 11.375 -0.304 -17.294 612 HA2 GLY 79 2HA GLY 79 10.777 0.214 -19.991 613 HA3 GLY 79 3HA GLY 79 11.226 -1.352 -19.331 614 H ALA 80 H ALA 80 8.777 -0.951 -17.475 615 HA ALA 80 HA ALA 80 6.888 -2.170 -19.349 616 HB1 ALA 80 1HB ALA 80 5.663 -2.804 -17.239 617 HB2 ALA 80 2HB ALA 80 7.263 -3.519 -17.440 618 HB3 ALA 80 3HB ALA 80 7.039 -2.155 -16.345 619 H LEU 81 H LEU 81 6.778 0.157 -16.642 620 HA LEU 81 HA LEU 81 4.218 1.124 -17.080 621 HB2 LEU 81 2HB LEU 81 6.567 2.739 -16.105 622 HB3 LEU 81 3HB LEU 81 4.862 3.061 -15.799 623 HG LEU 81 HG LEU 81 6.136 0.524 -14.836 624 HD11 LEU 81 1HD1 LEU 81 6.013 2.345 -12.700 625 HD12 LEU 81 2HD1 LEU 81 6.853 3.169 -14.013 626 HD13 LEU 81 3HD1 LEU 81 7.448 1.617 -13.424 627 HD21 LEU 81 1HD2 LEU 81 3.582 1.191 -14.870 628 HD22 LEU 81 2HD2 LEU 81 4.032 2.063 -13.404 629 HD23 LEU 81 3HD2 LEU 81 4.289 0.321 -13.508 630 H LYS 82 H LYS 82 7.162 1.780 -18.795 631 HA LYS 82 HA LYS 82 6.367 4.194 -20.050 632 HB2 LYS 82 2HB LYS 82 8.514 2.176 -20.451 633 HB3 LYS 82 3HB LYS 82 8.139 3.229 -21.809 634 HG2 LYS 82 2HG LYS 82 8.374 5.141 -20.084 635 HG3 LYS 82 3HG LYS 82 9.226 3.935 -19.117 636 HD2 LYS 82 2HD LYS 82 10.833 3.591 -20.884 637 HD3 LYS 82 3HD LYS 82 9.936 4.668 -21.957 638 HE2 LYS 82 2HE LYS 82 10.466 6.565 -20.637 639 HE3 LYS 82 3HE LYS 82 11.075 5.564 -19.320 640 HZ1 LYS 82 1HZ LYS 82 12.364 6.329 -21.821 641 HZ2 LYS 82 2HZ LYS 82 12.687 4.773 -21.244 642 HZ3 LYS 82 3HZ LYS 82 13.031 6.120 -20.280 643 H ALA 83 H ALA 83 6.218 0.794 -21.052 644 HA ALA 83 HA ALA 83 4.955 1.416 -23.559 645 HB1 ALA 83 1HB ALA 83 5.659 -1.111 -22.124 646 HB2 ALA 83 2HB ALA 83 4.585 -1.150 -23.523 647 HB3 ALA 83 3HB ALA 83 6.223 -0.515 -23.685 648 H ALA 84 H ALA 84 3.895 1.089 -20.358 649 HA ALA 84 HA ALA 84 1.325 -0.021 -20.768 650 HB1 ALA 84 1HB ALA 84 2.413 0.083 -18.569 651 HB2 ALA 84 2HB ALA 84 2.234 1.838 -18.575 652 HB3 ALA 84 3HB ALA 84 0.804 0.806 -18.548 653 H ARG 85 H ARG 85 2.230 3.372 -20.111 654 HA ARG 85 HA ARG 85 -0.227 4.532 -20.587 655 HB2 ARG 85 2HB ARG 85 1.022 6.611 -21.084 656 HB3 ARG 85 3HB ARG 85 1.612 5.793 -19.644 657 HG2 ARG 85 2HG ARG 85 3.263 4.718 -21.449 658 HG3 ARG 85 3HG ARG 85 2.938 6.264 -22.237 659 HD2 ARG 85 2HD ARG 85 3.531 7.386 -20.078 660 HD3 ARG 85 3HD ARG 85 4.043 5.812 -19.471 661 HE ARG 85 HE ARG 85 5.937 5.956 -20.764 662 HH11 ARG 85 1HH1 ARG 85 3.681 8.431 -21.712 663 HH12 ARG 85 2HH1 ARG 85 4.814 9.258 -22.729 664 HH21 ARG 85 1HH2 ARG 85 7.439 7.035 -22.099 665 HH22 ARG 85 2HH2 ARG 85 6.951 8.462 -22.949 666 H GLU 86 H GLU 86 2.251 3.573 -22.895 667 HA GLU 86 HA GLU 86 1.315 4.840 -25.180 668 HB2 GLU 86 2HB GLU 86 2.862 2.336 -24.678 669 HB3 GLU 86 3HB GLU 86 2.267 2.644 -26.303 670 HG2 GLU 86 2HG GLU 86 3.828 4.718 -24.818 671 HG3 GLU 86 3HG GLU 86 4.636 3.413 -25.684 672 H GLU 87 H GLU 87 0.741 1.400 -24.428 673 HA GLU 87 HA GLU 87 -1.707 1.520 -26.027 674 HB2 GLU 87 2HB GLU 87 -1.606 -0.856 -26.157 675 HB3 GLU 87 3HB GLU 87 0.025 -0.262 -26.436 676 HG2 GLU 87 2HG GLU 87 0.734 -1.635 -24.859 677 HG3 GLU 87 3HG GLU 87 -0.157 -0.674 -23.680 Start of MODEL 2 1 H1 SER 1 H SER 1 2.189 0.008 1.664 2 HA SER 1 HA SER 1 1.367 0.528 -0.984 3 HB2 SER 1 2HB SER 1 4.047 0.541 0.389 4 HB3 SER 1 3HB SER 1 3.901 0.871 -1.337 5 HG SER 1 HG SER 1 2.523 2.273 0.712 6 H GLU 2 H GLU 2 0.912 -2.202 -0.359 7 HA GLU 2 HA GLU 2 2.916 -3.683 -1.877 8 HB2 GLU 2 2HB GLU 2 1.764 -5.679 -1.141 9 HB3 GLU 2 3HB GLU 2 2.045 -4.627 0.239 10 HG2 GLU 2 2HG GLU 2 -0.296 -3.813 0.007 11 HG3 GLU 2 3HG GLU 2 -0.542 -5.036 -1.238 12 H ALA 3 H ALA 3 -0.312 -2.434 -2.171 13 HA ALA 3 HA ALA 3 -1.207 -4.007 -4.331 14 HB1 ALA 3 1HB ALA 3 -2.115 -1.194 -4.160 15 HB2 ALA 3 2HB ALA 3 -3.048 -2.681 -4.334 16 HB3 ALA 3 3HB ALA 3 -2.408 -2.221 -2.757 17 H VAL 4 H VAL 4 0.636 -1.002 -4.184 18 HA VAL 4 HA VAL 4 0.572 -0.414 -6.946 19 HB VAL 4 HB VAL 4 1.205 1.274 -5.306 20 HG11 VAL 4 1HG1 VAL 4 3.105 1.191 -3.968 21 HG12 VAL 4 2HG1 VAL 4 2.503 -0.467 -3.909 22 HG13 VAL 4 3HG1 VAL 4 3.865 -0.058 -4.953 23 HG21 VAL 4 1HG2 VAL 4 3.700 0.930 -6.890 24 HG22 VAL 4 2HG2 VAL 4 2.171 1.092 -7.755 25 HG23 VAL 4 3HG2 VAL 4 2.700 2.364 -6.654 26 H ILE 5 H ILE 5 2.700 -2.398 -4.972 27 HA ILE 5 HA ILE 5 4.698 -2.811 -6.940 28 HB ILE 5 HB ILE 5 3.959 -4.564 -4.593 29 HG12 ILE 5 2HG1 ILE 5 6.097 -2.437 -4.838 30 HG13 ILE 5 3HG1 ILE 5 4.568 -2.232 -3.991 31 HG21 ILE 5 1HG2 ILE 5 5.411 -6.009 -5.459 32 HG22 ILE 5 2HG2 ILE 5 5.885 -4.874 -6.722 33 HG23 ILE 5 3HG2 ILE 5 6.673 -4.817 -5.145 34 HD11 ILE 5 1HD1 ILE 5 6.225 -2.685 -2.366 35 HD12 ILE 5 2HD1 ILE 5 5.244 -4.143 -2.520 36 HD13 ILE 5 3HD1 ILE 5 6.835 -4.066 -3.277 37 H LYS 6 H LYS 6 1.632 -4.330 -6.265 38 HA LYS 6 HA LYS 6 2.066 -6.679 -7.815 39 HB2 LYS 6 2HB LYS 6 -0.455 -5.324 -6.852 40 HB3 LYS 6 3HB LYS 6 -0.451 -6.853 -7.722 41 HG2 LYS 6 2HG LYS 6 0.753 -7.931 -5.966 42 HG3 LYS 6 3HG LYS 6 1.017 -6.395 -5.136 43 HD2 LYS 6 2HD LYS 6 -1.738 -6.543 -5.462 44 HD3 LYS 6 3HD LYS 6 -1.258 -8.188 -5.037 45 HE2 LYS 6 2HE LYS 6 0.209 -6.595 -3.313 46 HE3 LYS 6 3HE LYS 6 -1.358 -5.791 -3.398 47 HZ1 LYS 6 1HZ LYS 6 -2.398 -7.509 -2.392 48 HZ2 LYS 6 2HZ LYS 6 -0.864 -7.771 -1.731 49 HZ3 LYS 6 3HZ LYS 6 -1.381 -8.686 -3.056 50 H VAL 7 H VAL 7 0.986 -3.442 -8.527 51 HA VAL 7 HA VAL 7 -0.190 -3.967 -11.049 52 HB VAL 7 HB VAL 7 1.067 -1.411 -10.040 53 HG11 VAL 7 1HG1 VAL 7 0.881 -1.229 -12.389 54 HG12 VAL 7 2HG1 VAL 7 -0.708 -1.998 -12.397 55 HG13 VAL 7 3HG1 VAL 7 -0.513 -0.379 -11.723 56 HG21 VAL 7 1HG2 VAL 7 -0.630 -1.563 -8.565 57 HG22 VAL 7 2HG2 VAL 7 -1.605 -1.014 -9.928 58 HG23 VAL 7 3HG2 VAL 7 -1.517 -2.733 -9.543 59 H ILE 8 H ILE 8 3.091 -3.180 -10.028 60 HA ILE 8 HA ILE 8 4.062 -3.026 -12.747 61 HB ILE 8 HB ILE 8 5.583 -3.036 -10.138 62 HG12 ILE 8 2HG1 ILE 8 5.563 -0.570 -11.682 63 HG13 ILE 8 3HG1 ILE 8 3.939 -1.064 -11.218 64 HG21 ILE 8 1HG2 ILE 8 6.506 -2.377 -12.932 65 HG22 ILE 8 2HG2 ILE 8 7.462 -2.191 -11.462 66 HG23 ILE 8 3HG2 ILE 8 6.964 -3.797 -11.992 67 HD11 ILE 8 1HD1 ILE 8 4.598 0.280 -9.465 68 HD12 ILE 8 2HD1 ILE 8 4.956 -1.338 -8.862 69 HD13 ILE 8 3HD1 ILE 8 6.255 -0.323 -9.489 70 H SER 9 H SER 9 3.997 -5.351 -10.128 71 HA SER 9 HA SER 9 5.871 -7.166 -11.268 72 HB2 SER 9 2HB SER 9 5.441 -7.264 -8.895 73 HB3 SER 9 3HB SER 9 3.723 -7.552 -9.172 74 HG SER 9 HG SER 9 4.607 -9.526 -8.791 75 H SER 10 H SER 10 2.746 -6.326 -12.132 76 HA SER 10 HA SER 10 2.218 -8.939 -13.373 77 HB2 SER 10 2HB SER 10 0.487 -7.726 -11.870 78 HB3 SER 10 3HB SER 10 0.240 -6.674 -13.263 79 HG SER 10 HG SER 10 0.104 -9.493 -13.449 80 H ALA 11 H ALA 11 2.845 -5.582 -14.034 81 HA ALA 11 HA ALA 11 2.128 -5.715 -16.815 82 HB1 ALA 11 1HB ALA 11 3.305 -3.669 -15.012 83 HB2 ALA 11 2HB ALA 11 3.556 -3.490 -16.748 84 HB3 ALA 11 3HB ALA 11 1.919 -3.560 -16.097 85 H CYS 12 H CYS 12 5.168 -5.678 -14.980 86 HA CYS 12 HA CYS 12 6.939 -5.692 -17.128 87 HB2 CYS 12 2HB CYS 12 7.095 -6.617 -14.289 88 HB3 CYS 12 3HB CYS 12 8.400 -7.041 -15.390 89 HG CYS 12 HG CYS 12 8.848 -4.692 -13.698 90 H LYS 13 H LYS 13 5.002 -8.243 -15.778 91 HA LYS 13 HA LYS 13 6.424 -10.411 -16.968 92 HB2 LYS 13 2HB LYS 13 3.540 -10.355 -16.067 93 HB3 LYS 13 3HB LYS 13 4.546 -11.779 -16.297 94 HG2 LYS 13 2HG LYS 13 5.161 -9.636 -14.280 95 HG3 LYS 13 3HG LYS 13 4.195 -11.068 -13.919 96 HD2 LYS 13 2HD LYS 13 6.387 -12.168 -15.108 97 HD3 LYS 13 3HD LYS 13 7.094 -10.783 -14.272 98 HE2 LYS 13 2HE LYS 13 6.563 -11.592 -12.198 99 HE3 LYS 13 3HE LYS 13 5.164 -12.490 -12.786 100 HZ1 LYS 13 1HZ LYS 13 6.637 -14.169 -12.354 101 HZ2 LYS 13 2HZ LYS 13 7.997 -13.260 -12.784 102 HZ3 LYS 13 3HZ LYS 13 6.983 -13.884 -13.985 103 H THR 14 H THR 14 4.270 -8.071 -18.168 104 HA THR 14 HA THR 14 3.591 -9.730 -20.498 105 HB THR 14 HB THR 14 2.367 -7.163 -19.480 106 HG1 THR 14 HG1 THR 14 1.550 -9.872 -19.621 107 HG21 THR 14 1HG2 THR 14 1.967 -6.761 -21.669 108 HG22 THR 14 2HG2 THR 14 0.706 -7.975 -21.454 109 HG23 THR 14 3HG2 THR 14 2.265 -8.434 -22.138 110 H TYR 15 H TYR 15 5.357 -6.929 -19.470 111 HA TYR 15 HA TYR 15 5.880 -6.126 -22.236 112 HB2 TYR 15 2HB TYR 15 6.452 -4.805 -19.584 113 HB3 TYR 15 3HB TYR 15 7.083 -4.193 -21.109 114 HD1 TYR 15 HD1 TYR 15 4.346 -4.141 -18.844 115 HD2 TYR 15 HD2 TYR 15 5.349 -3.656 -22.951 116 HE1 TYR 15 HE1 TYR 15 2.254 -2.898 -19.202 117 HE2 TYR 15 HE2 TYR 15 3.260 -2.411 -23.320 118 HH TYR 15 HH TYR 15 0.886 -1.997 -20.727 119 H CYS 16 H CYS 16 7.785 -6.635 -19.261 120 HA CYS 16 HA CYS 16 10.229 -6.942 -20.712 121 HB2 CYS 16 2HB CYS 16 9.587 -7.602 -17.830 122 HB3 CYS 16 3HB CYS 16 11.201 -7.514 -18.523 123 HG CYS 16 HG CYS 16 11.445 -4.897 -18.581 124 H GLY 17 H GLY 17 7.769 -9.096 -19.496 125 HA2 GLY 17 2HA GLY 17 7.394 -11.316 -20.004 126 HA3 GLY 17 3HA GLY 17 8.799 -11.266 -21.058 127 H LYS 18 H LYS 18 10.385 -12.576 -20.482 128 HA LYS 18 HA LYS 18 10.478 -13.603 -17.757 129 HB2 LYS 18 2HB LYS 18 12.059 -15.243 -18.635 130 HB3 LYS 18 3HB LYS 18 10.607 -15.191 -19.626 131 HG2 LYS 18 2HG LYS 18 12.802 -13.437 -20.498 132 HG3 LYS 18 3HG LYS 18 13.109 -15.171 -20.612 133 HD2 LYS 18 2HD LYS 18 10.581 -14.981 -21.624 134 HD3 LYS 18 3HD LYS 18 11.303 -13.466 -22.171 135 HE2 LYS 18 2HE LYS 18 11.961 -14.790 -23.893 136 HE3 LYS 18 3HE LYS 18 13.300 -15.115 -22.793 137 HZ1 LYS 18 1HZ LYS 18 12.694 -17.231 -22.597 138 HZ2 LYS 18 2HZ LYS 18 11.668 -16.979 -23.919 139 HZ3 LYS 18 3HZ LYS 18 11.066 -16.845 -22.344 140 H THR 19 H THR 19 11.159 -10.966 -17.791 141 HA THR 19 HA THR 19 13.927 -11.085 -16.908 142 HB THR 19 HB THR 19 13.826 -8.639 -18.273 143 HG1 THR 19 HG1 THR 19 13.036 -10.773 -19.991 144 HG21 THR 19 1HG2 THR 19 15.474 -9.947 -19.819 145 HG22 THR 19 2HG2 THR 19 15.259 -11.239 -18.638 146 HG23 THR 19 3HG2 THR 19 15.891 -9.674 -18.128 147 H SER 20 H SER 20 11.062 -10.566 -15.938 148 HA SER 20 HA SER 20 10.873 -7.883 -15.105 149 HB2 SER 20 2HB SER 20 8.917 -8.529 -14.162 150 HB3 SER 20 3HB SER 20 9.212 -10.051 -15.004 151 HG SER 20 HG SER 20 10.260 -10.782 -13.076 152 HA PRO 21 HA PRO 21 13.559 -7.527 -11.656 153 HB2 PRO 21 2HB PRO 21 12.085 -6.053 -9.916 154 HB3 PRO 21 3HB PRO 21 12.783 -5.380 -11.394 155 HG2 PRO 21 2HG PRO 21 9.987 -6.313 -10.875 156 HG3 PRO 21 3HG PRO 21 10.541 -4.864 -11.734 157 HD2 PRO 21 2HD PRO 21 9.719 -7.098 -13.025 158 HD3 PRO 21 3HD PRO 21 10.979 -6.029 -13.674 159 H SER 22 H SER 22 13.288 -7.495 -9.033 160 HA SER 22 HA SER 22 11.998 -10.064 -8.394 161 HB2 SER 22 2HB SER 22 14.635 -9.463 -8.147 162 HB3 SER 22 3HB SER 22 14.052 -9.016 -6.544 163 HG SER 22 HG SER 22 14.726 -11.326 -7.049 164 H LYS 23 H LYS 23 10.769 -10.268 -6.542 165 HA LYS 23 HA LYS 23 9.203 -8.143 -5.735 166 HB2 LYS 23 2HB LYS 23 8.566 -10.459 -5.341 167 HB3 LYS 23 3HB LYS 23 9.890 -10.656 -4.200 168 HG2 LYS 23 2HG LYS 23 8.855 -9.346 -2.582 169 HG3 LYS 23 3HG LYS 23 7.768 -8.593 -3.751 170 HD2 LYS 23 2HD LYS 23 7.370 -11.424 -3.782 171 HD3 LYS 23 3HD LYS 23 7.285 -10.845 -2.117 172 HE2 LYS 23 2HE LYS 23 5.455 -9.516 -2.532 173 HE3 LYS 23 3HE LYS 23 5.838 -9.339 -4.244 174 HZ1 LYS 23 1HZ LYS 23 5.363 -11.960 -4.087 175 HZ2 LYS 23 2HZ LYS 23 4.182 -10.815 -4.479 176 HZ3 LYS 23 3HZ LYS 23 4.304 -11.393 -2.895 177 H LYS 24 H LYS 24 12.313 -9.172 -4.530 178 HA LYS 24 HA LYS 24 12.217 -7.486 -2.193 179 HB2 LYS 24 2HB LYS 24 13.502 -9.556 -2.133 180 HB3 LYS 24 3HB LYS 24 14.500 -9.003 -3.471 181 HG2 LYS 24 2HG LYS 24 15.647 -8.788 -1.328 182 HG3 LYS 24 3HG LYS 24 15.399 -7.218 -2.095 183 HD2 LYS 24 2HD LYS 24 13.862 -6.545 -0.535 184 HD3 LYS 24 3HD LYS 24 13.339 -8.194 -0.182 185 HE2 LYS 24 2HE LYS 24 15.883 -8.319 0.680 186 HE3 LYS 24 3HE LYS 24 15.555 -6.611 0.964 187 HZ1 LYS 24 1HZ LYS 24 14.541 -8.932 2.339 188 HZ2 LYS 24 2HZ LYS 24 13.346 -7.801 1.946 189 HZ3 LYS 24 3HZ LYS 24 14.681 -7.333 2.874 190 H GLU 25 H GLU 25 13.464 -7.298 -5.459 191 HA GLU 25 HA GLU 25 15.059 -4.969 -5.032 192 HB2 GLU 25 2HB GLU 25 14.106 -6.489 -7.422 193 HB3 GLU 25 3HB GLU 25 14.749 -4.869 -7.650 194 HG2 GLU 25 2HG GLU 25 16.794 -5.638 -6.388 195 HG3 GLU 25 3HG GLU 25 16.154 -7.274 -6.532 196 H ILE 26 H ILE 26 11.869 -5.516 -6.508 197 HA ILE 26 HA ILE 26 11.248 -2.923 -7.223 198 HB ILE 26 HB ILE 26 9.345 -4.995 -6.124 199 HG12 ILE 26 2HG1 ILE 26 10.120 -4.367 -8.981 200 HG13 ILE 26 3HG1 ILE 26 10.677 -5.764 -8.066 201 HG21 ILE 26 1HG2 ILE 26 7.659 -3.750 -7.483 202 HG22 ILE 26 2HG2 ILE 26 8.280 -2.857 -6.095 203 HG23 ILE 26 3HG2 ILE 26 8.864 -2.484 -7.716 204 HD11 ILE 26 1HD1 ILE 26 8.068 -5.243 -9.336 205 HD12 ILE 26 2HD1 ILE 26 8.970 -6.748 -9.159 206 HD13 ILE 26 3HD1 ILE 26 8.047 -6.107 -7.800 207 H GLY 27 H GLY 27 10.778 -4.512 -4.083 208 HA2 GLY 27 2HA GLY 27 9.533 -2.260 -2.855 209 HA3 GLY 27 3HA GLY 27 10.199 -3.659 -2.025 210 H ALA 28 H ALA 28 12.799 -3.031 -3.558 211 HA ALA 28 HA ALA 28 13.847 -1.248 -1.502 212 HB1 ALA 28 1HB ALA 28 15.892 -2.110 -3.268 213 HB2 ALA 28 2HB ALA 28 15.609 -2.590 -1.595 214 HB3 ALA 28 3HB ALA 28 14.860 -3.494 -2.910 215 H MET 29 H MET 29 12.515 -0.862 -4.470 216 HA MET 29 HA MET 29 14.322 1.319 -5.251 217 HB2 MET 29 2HB MET 29 13.839 -0.389 -6.969 218 HB3 MET 29 3HB MET 29 12.126 -0.012 -6.848 219 HG2 MET 29 2HG MET 29 13.975 2.223 -7.439 220 HG3 MET 29 3HG MET 29 13.694 1.034 -8.710 221 HE1 MET 29 1HE MET 29 11.222 0.010 -8.687 222 HE2 MET 29 2HE MET 29 9.807 1.046 -8.873 223 HE3 MET 29 3HE MET 29 11.053 1.022 -10.122 224 H LEU 30 H LEU 30 10.902 0.564 -4.700 225 HA LEU 30 HA LEU 30 9.750 3.003 -5.245 226 HB2 LEU 30 2HB LEU 30 9.116 0.745 -3.450 227 HB3 LEU 30 3HB LEU 30 8.289 2.264 -3.114 228 HG LEU 30 HG LEU 30 7.270 2.260 -5.285 229 HD11 LEU 30 1HD1 LEU 30 7.748 -0.085 -6.540 230 HD12 LEU 30 2HD1 LEU 30 9.335 0.246 -5.848 231 HD13 LEU 30 3HD1 LEU 30 8.575 1.427 -6.914 232 HD21 LEU 30 1HD2 LEU 30 6.342 0.821 -3.412 233 HD22 LEU 30 2HD2 LEU 30 7.032 -0.559 -4.266 234 HD23 LEU 30 3HD2 LEU 30 5.800 0.435 -5.045 235 H SER 31 H SER 31 10.819 1.926 -2.013 236 HA SER 31 HA SER 31 10.476 4.401 -0.750 237 HB2 SER 31 2HB SER 31 10.715 2.682 0.774 238 HB3 SER 31 3HB SER 31 12.021 1.917 -0.133 239 HG SER 31 HG SER 31 12.291 4.396 1.216 240 H LEU 32 H LEU 32 13.061 3.160 -2.718 241 HA LEU 32 HA LEU 32 15.132 4.880 -1.950 242 HB2 LEU 32 2HB LEU 32 15.030 2.827 -3.599 243 HB3 LEU 32 3HB LEU 32 14.818 4.094 -4.805 244 HG LEU 32 HG LEU 32 17.156 3.326 -4.587 245 HD11 LEU 32 1HD1 LEU 32 17.996 5.392 -4.993 246 HD12 LEU 32 2HD1 LEU 32 17.224 6.108 -3.578 247 HD13 LEU 32 3HD1 LEU 32 16.281 5.801 -5.036 248 HD21 LEU 32 1HD2 LEU 32 16.601 3.531 -1.828 249 HD22 LEU 32 2HD2 LEU 32 17.847 4.723 -2.195 250 HD23 LEU 32 3HD2 LEU 32 18.102 3.026 -2.604 251 H LEU 33 H LEU 33 12.835 5.209 -4.658 252 HA LEU 33 HA LEU 33 13.678 7.768 -5.453 253 HB2 LEU 33 2HB LEU 33 10.860 6.790 -5.751 254 HB3 LEU 33 3HB LEU 33 11.785 7.830 -6.831 255 HG LEU 33 HG LEU 33 12.072 4.855 -6.454 256 HD11 LEU 33 1HD1 LEU 33 11.679 4.985 -8.973 257 HD12 LEU 33 2HD1 LEU 33 11.126 6.633 -8.678 258 HD13 LEU 33 3HD1 LEU 33 10.296 5.275 -7.917 259 HD21 LEU 33 1HD2 LEU 33 14.286 5.870 -6.638 260 HD22 LEU 33 2HD2 LEU 33 13.780 6.721 -8.097 261 HD23 LEU 33 3HD2 LEU 33 13.877 4.960 -8.092 262 H GLN 34 H GLN 34 11.723 6.723 -2.823 263 HA GLN 34 HA GLN 34 10.349 9.207 -2.420 264 HB2 GLN 34 2HB GLN 34 10.679 6.696 -0.805 265 HB3 GLN 34 3HB GLN 34 9.939 8.126 -0.097 266 HG2 GLN 34 2HG GLN 34 8.270 8.117 -1.916 267 HG3 GLN 34 3HG GLN 34 8.981 6.621 -2.519 268 HE21 GLN 34 1HE2 GLN 34 6.411 7.675 -0.987 269 HE22 GLN 34 2HE2 GLN 34 6.101 6.372 0.104 270 H LYS 35 H LYS 35 13.029 7.560 -0.749 271 HA LYS 35 HA LYS 35 13.569 9.690 1.034 272 HB2 LYS 35 2HB LYS 35 15.711 8.511 1.441 273 HB3 LYS 35 3HB LYS 35 14.315 7.446 1.542 274 HG2 LYS 35 2HG LYS 35 14.781 6.671 -0.754 275 HG3 LYS 35 3HG LYS 35 16.231 7.678 -0.769 276 HD2 LYS 35 2HD LYS 35 17.030 5.567 -0.180 277 HD3 LYS 35 3HD LYS 35 16.885 6.403 1.368 278 HE2 LYS 35 2HE LYS 35 14.572 5.349 1.531 279 HE3 LYS 35 3HE LYS 35 15.068 4.318 0.190 280 HZ1 LYS 35 1HZ LYS 35 15.749 3.013 1.881 281 HZ2 LYS 35 2HZ LYS 35 15.935 4.296 2.968 282 HZ3 LYS 35 3HZ LYS 35 17.130 3.988 1.811 283 H GLU 36 H GLU 36 14.910 8.785 -2.111 284 HA GLU 36 HA GLU 36 17.012 10.611 -2.225 285 HB2 GLU 36 2HB GLU 36 15.566 8.922 -4.087 286 HB3 GLU 36 3HB GLU 36 16.022 10.447 -4.832 287 HG2 GLU 36 2HG GLU 36 17.978 8.727 -3.342 288 HG3 GLU 36 3HG GLU 36 17.654 8.535 -5.064 289 H GLY 37 H GLY 37 13.607 11.109 -2.457 290 HA2 GLY 37 2HA GLY 37 12.598 13.232 -2.191 291 HA3 GLY 37 3HA GLY 37 14.079 13.981 -2.771 292 H LEU 38 H LEU 38 12.657 11.294 -4.464 293 HA LEU 38 HA LEU 38 12.240 13.008 -6.779 294 HB2 LEU 38 2HB LEU 38 11.982 10.016 -6.515 295 HB3 LEU 38 3HB LEU 38 11.955 10.935 -8.019 296 HG LEU 38 HG LEU 38 14.347 10.892 -6.194 297 HD11 LEU 38 1HD1 LEU 38 14.766 8.798 -6.781 298 HD12 LEU 38 2HD1 LEU 38 14.833 9.313 -8.466 299 HD13 LEU 38 3HD1 LEU 38 13.312 8.747 -7.778 300 HD21 LEU 38 1HD2 LEU 38 13.919 12.647 -8.061 301 HD22 LEU 38 2HD2 LEU 38 14.342 11.327 -9.152 302 HD23 LEU 38 3HD2 LEU 38 15.500 11.875 -7.938 303 H LEU 39 H LEU 39 10.367 10.393 -5.229 304 HA LEU 39 HA LEU 39 7.920 11.892 -5.902 305 HB2 LEU 39 2HB LEU 39 6.889 9.501 -5.753 306 HB3 LEU 39 3HB LEU 39 7.693 10.040 -7.226 307 HG LEU 39 HG LEU 39 9.754 8.834 -6.387 308 HD11 LEU 39 1HD1 LEU 39 9.407 8.510 -4.112 309 HD12 LEU 39 2HD1 LEU 39 9.105 6.915 -4.801 310 HD13 LEU 39 3HD1 LEU 39 7.751 7.949 -4.344 311 HD21 LEU 39 1HD2 LEU 39 7.692 7.995 -7.927 312 HD22 LEU 39 2HD2 LEU 39 7.703 6.747 -6.680 313 HD23 LEU 39 3HD2 LEU 39 9.156 7.058 -7.631 314 H MET 40 H MET 40 6.032 11.262 -4.473 315 HA MET 40 HA MET 40 6.962 11.235 -1.693 316 HB2 MET 40 2HB MET 40 4.452 12.222 -3.021 317 HB3 MET 40 3HB MET 40 4.516 11.959 -1.283 318 HG2 MET 40 2HG MET 40 6.618 13.625 -2.573 319 HG3 MET 40 3HG MET 40 5.015 14.308 -2.308 320 HE1 MET 40 1HE MET 40 8.464 14.443 -0.425 321 HE2 MET 40 2HE MET 40 7.472 15.499 -1.429 322 HE3 MET 40 3HE MET 40 7.541 15.750 0.316 323 H SER 41 H SER 41 5.201 9.389 -4.011 324 HA SER 41 HA SER 41 4.801 7.291 -2.015 325 HB2 SER 41 2HB SER 41 2.669 8.848 -3.207 326 HB3 SER 41 3HB SER 41 2.510 7.142 -3.625 327 HG SER 41 HG SER 41 1.473 7.548 -1.666 328 HA PRO 42 HA PRO 42 6.096 4.541 -5.177 329 HB2 PRO 42 2HB PRO 42 4.569 2.346 -4.707 330 HB3 PRO 42 3HB PRO 42 5.895 2.838 -3.647 331 HG2 PRO 42 2HG PRO 42 2.952 3.290 -3.335 332 HG3 PRO 42 3HG PRO 42 4.145 2.801 -2.117 333 HD2 PRO 42 2HD PRO 42 3.250 5.347 -2.340 334 HD3 PRO 42 3HD PRO 42 4.898 4.957 -1.806 335 H SER 43 H SER 43 2.764 5.450 -5.003 336 HA SER 43 HA SER 43 1.975 4.158 -7.448 337 HB2 SER 43 2HB SER 43 0.095 6.131 -6.961 338 HB3 SER 43 3HB SER 43 0.014 4.467 -6.384 339 HG SER 43 HG SER 43 0.343 5.161 -4.434 340 H ASP 44 H ASP 44 3.786 6.875 -6.734 341 HA ASP 44 HA ASP 44 2.931 8.696 -8.712 342 HB2 ASP 44 2HB ASP 44 4.732 8.806 -6.683 343 HB3 ASP 44 3HB ASP 44 5.813 8.664 -8.067 344 H LEU 45 H LEU 45 4.512 5.710 -8.955 345 HA LEU 45 HA LEU 45 6.187 6.081 -11.163 346 HB2 LEU 45 2HB LEU 45 6.137 4.062 -9.748 347 HB3 LEU 45 3HB LEU 45 4.579 3.632 -10.450 348 HG LEU 45 HG LEU 45 5.566 3.193 -12.572 349 HD11 LEU 45 1HD1 LEU 45 7.754 4.823 -11.499 350 HD12 LEU 45 2HD1 LEU 45 7.205 4.605 -13.161 351 HD13 LEU 45 3HD1 LEU 45 8.268 3.409 -12.420 352 HD21 LEU 45 1HD2 LEU 45 6.115 1.730 -10.324 353 HD22 LEU 45 2HD2 LEU 45 7.714 1.943 -11.037 354 HD23 LEU 45 3HD2 LEU 45 6.417 1.211 -11.983 355 H TYR 46 H TYR 46 2.773 6.096 -10.934 356 HA TYR 46 HA TYR 46 2.311 5.435 -13.712 357 HB2 TYR 46 2HB TYR 46 0.344 6.596 -11.735 358 HB3 TYR 46 3HB TYR 46 -0.021 5.737 -13.227 359 HD1 TYR 46 HD1 TYR 46 -0.721 5.254 -10.128 360 HD2 TYR 46 HD2 TYR 46 1.904 3.456 -12.953 361 HE1 TYR 46 HE1 TYR 46 -0.832 3.140 -8.876 362 HE2 TYR 46 HE2 TYR 46 1.799 1.336 -11.710 363 HH TYR 46 HH TYR 46 -0.295 0.969 -8.877 364 H SER 47 H SER 47 3.643 8.024 -12.348 365 HA SER 47 HA SER 47 2.276 9.965 -14.088 366 HB2 SER 47 2HB SER 47 2.323 10.549 -11.684 367 HB3 SER 47 3HB SER 47 4.086 10.491 -11.716 368 HG SER 47 HG SER 47 2.619 12.563 -12.209 369 HA PRO 48 HA PRO 48 6.215 9.196 -16.301 370 HB2 PRO 48 2HB PRO 48 5.167 9.689 -18.756 371 HB3 PRO 48 3HB PRO 48 5.049 8.116 -17.960 372 HG2 PRO 48 2HG PRO 48 3.016 10.306 -18.138 373 HG3 PRO 48 3HG PRO 48 2.795 8.557 -18.323 374 HD2 PRO 48 2HD PRO 48 2.181 9.869 -16.035 375 HD3 PRO 48 3HD PRO 48 2.766 8.193 -16.048 376 H GLY 49 H GLY 49 6.390 11.381 -14.956 377 HA2 GLY 49 2HA GLY 49 6.992 13.433 -16.948 378 HA3 GLY 49 3HA GLY 49 5.887 13.878 -15.655 379 H SER 50 H SER 50 8.174 11.616 -14.641 380 HA SER 50 HA SER 50 10.084 13.661 -13.783 381 HB2 SER 50 2HB SER 50 8.321 12.038 -12.015 382 HB3 SER 50 3HB SER 50 9.986 12.287 -11.492 383 HG SER 50 HG SER 50 7.983 14.214 -11.990 384 H TRP 51 H TRP 51 9.714 10.988 -15.433 385 HA TRP 51 HA TRP 51 11.588 9.174 -14.311 386 HB2 TRP 51 2HB TRP 51 10.568 9.472 -17.144 387 HB3 TRP 51 3HB TRP 51 11.559 8.129 -16.580 388 HD1 TRP 51 HD1 TRP 51 9.644 8.391 -13.694 389 HE1 TRP 51 HE1 TRP 51 7.463 7.026 -13.754 390 HE3 TRP 51 HE3 TRP 51 9.284 7.659 -18.741 391 HZ2 TRP 51 HZ2 TRP 51 5.809 5.801 -15.686 392 HZ3 TRP 51 HZ3 TRP 51 7.373 6.379 -19.613 393 HH2 TRP 51 HH2 TRP 51 5.672 5.469 -18.116 394 H ASP 52 H ASP 52 11.872 11.999 -16.303 395 HA ASP 52 HA ASP 52 14.388 11.538 -17.451 396 HB2 ASP 52 2HB ASP 52 12.637 13.858 -16.999 397 HB3 ASP 52 3HB ASP 52 14.352 14.250 -17.093 398 HA PRO 53 HA PRO 53 16.323 13.865 -13.692 399 HB2 PRO 53 2HB PRO 53 14.706 14.398 -11.578 400 HB3 PRO 53 3HB PRO 53 14.907 15.509 -12.938 401 HG2 PRO 53 2HG PRO 53 12.707 13.551 -12.401 402 HG3 PRO 53 3HG PRO 53 12.600 15.221 -12.988 403 HD2 PRO 53 2HD PRO 53 12.413 13.083 -14.638 404 HD3 PRO 53 3HD PRO 53 13.121 14.627 -15.153 405 H ILE 54 H ILE 54 13.839 11.462 -13.096 406 HA ILE 54 HA ILE 54 15.077 10.375 -10.750 407 HB ILE 54 HB ILE 54 12.869 9.396 -12.544 408 HG12 ILE 54 2HG1 ILE 54 12.828 10.104 -9.609 409 HG13 ILE 54 3HG1 ILE 54 12.513 11.277 -10.883 410 HG21 ILE 54 1HG2 ILE 54 12.605 7.687 -10.574 411 HG22 ILE 54 2HG2 ILE 54 13.689 7.346 -11.921 412 HG23 ILE 54 3HG2 ILE 54 14.340 7.947 -10.396 413 HD11 ILE 54 1HD1 ILE 54 10.556 10.035 -9.680 414 HD12 ILE 54 2HD1 ILE 54 10.489 10.356 -11.414 415 HD13 ILE 54 3HD1 ILE 54 10.940 8.754 -10.830 416 H THR 55 H THR 55 14.885 9.403 -14.159 417 HA THR 55 HA THR 55 16.368 7.022 -13.904 418 HB THR 55 HB THR 55 15.999 8.816 -16.309 419 HG1 THR 55 HG1 THR 55 14.313 7.464 -16.779 420 HG21 THR 55 1HG2 THR 55 17.126 6.026 -16.084 421 HG22 THR 55 2HG2 THR 55 17.941 7.464 -16.699 422 HG23 THR 55 3HG2 THR 55 16.600 6.756 -17.600 423 H ALA 56 H ALA 56 17.331 10.351 -14.593 424 HA ALA 56 HA ALA 56 20.079 9.713 -15.061 425 HB1 ALA 56 1HB ALA 56 19.578 11.682 -16.090 426 HB2 ALA 56 2HB ALA 56 18.480 12.202 -14.810 427 HB3 ALA 56 3HB ALA 56 20.225 12.313 -14.574 428 H ALA 57 H ALA 57 18.175 10.670 -12.274 429 HA ALA 57 HA ALA 57 20.303 11.322 -10.544 430 HB1 ALA 57 1HB ALA 57 17.447 10.546 -10.143 431 HB2 ALA 57 2HB ALA 57 18.530 10.667 -8.756 432 HB3 ALA 57 3HB ALA 57 18.257 12.072 -9.786 433 H LEU 58 H LEU 58 18.549 8.284 -11.088 434 HA LEU 58 HA LEU 58 19.975 6.801 -9.134 435 HB2 LEU 58 2HB LEU 58 18.450 5.874 -11.563 436 HB3 LEU 58 3HB LEU 58 19.029 4.824 -10.271 437 HG LEU 58 HG LEU 58 17.141 7.078 -9.687 438 HD11 LEU 58 1HD1 LEU 58 16.589 4.662 -11.219 439 HD12 LEU 58 2HD1 LEU 58 15.617 6.117 -11.003 440 HD13 LEU 58 3HD1 LEU 58 15.568 4.836 -9.791 441 HD21 LEU 58 1HD2 LEU 58 17.770 4.438 -8.374 442 HD22 LEU 58 2HD2 LEU 58 16.492 5.536 -7.852 443 HD23 LEU 58 3HD2 LEU 58 18.179 6.048 -7.780 444 H SER 59 H SER 59 20.465 7.424 -12.556 445 HA SER 59 HA SER 59 22.521 5.494 -12.930 446 HB2 SER 59 2HB SER 59 21.711 6.081 -14.983 447 HB3 SER 59 3HB SER 59 21.371 7.740 -14.490 448 HG SER 59 HG SER 59 23.917 6.645 -15.106 449 H GLN 60 H GLN 60 22.434 8.716 -11.669 450 HA GLN 60 HA GLN 60 25.252 9.208 -11.969 451 HB2 GLN 60 2HB GLN 60 23.838 11.125 -11.961 452 HB3 GLN 60 3HB GLN 60 23.057 10.627 -10.466 453 HG2 GLN 60 2HG GLN 60 24.594 11.626 -9.215 454 HG3 GLN 60 3HG GLN 60 25.919 10.931 -10.148 455 HE21 GLN 60 1HE2 GLN 60 23.774 13.635 -9.783 456 HE22 GLN 60 2HE2 GLN 60 24.621 14.712 -10.835 457 H ARG 61 H ARG 61 23.091 8.398 -9.267 458 HA ARG 61 HA ARG 61 24.906 8.415 -7.191 459 HB2 ARG 61 2HB ARG 61 22.297 7.797 -7.380 460 HB3 ARG 61 3HB ARG 61 22.961 6.177 -7.219 461 HG2 ARG 61 2HG ARG 61 24.033 6.797 -5.132 462 HG3 ARG 61 3HG ARG 61 23.439 8.450 -5.303 463 HD2 ARG 61 2HD ARG 61 21.205 7.793 -4.982 464 HD3 ARG 61 3HD ARG 61 21.581 6.092 -5.254 465 HE ARG 61 HE ARG 61 21.868 7.566 -2.794 466 HH11 ARG 61 1HH1 ARG 61 22.855 4.766 -4.612 467 HH12 ARG 61 2HH1 ARG 61 23.324 3.860 -3.212 468 HH21 ARG 61 1HH2 ARG 61 22.481 6.383 -0.942 469 HH22 ARG 61 2HH2 ARG 61 23.110 4.781 -1.125 470 H ALA 62 H ALA 62 24.011 5.595 -9.184 471 HA ALA 62 HA ALA 62 25.900 3.835 -8.083 472 HB1 ALA 62 1HB ALA 62 24.912 3.665 -10.914 473 HB2 ALA 62 2HB ALA 62 25.351 2.353 -9.818 474 HB3 ALA 62 3HB ALA 62 23.881 3.285 -9.534 475 H MET 63 H MET 63 26.290 6.473 -10.206 476 HA MET 63 HA MET 63 28.798 5.481 -11.311 477 HB2 MET 63 2HB MET 63 26.974 7.753 -11.890 478 HB3 MET 63 3HB MET 63 28.679 7.987 -12.248 479 HG2 MET 63 2HG MET 63 28.509 5.754 -13.504 480 HG3 MET 63 3HG MET 63 26.767 6.009 -13.421 481 HE1 MET 63 1HE MET 63 26.458 9.492 -15.261 482 HE2 MET 63 2HE MET 63 25.700 8.370 -14.131 483 HE3 MET 63 3HE MET 63 27.011 9.419 -13.588 484 H ILE 64 H ILE 64 27.654 7.421 -8.728 485 HA ILE 64 HA ILE 64 30.238 8.735 -8.357 486 HB ILE 64 HB ILE 64 27.634 9.033 -6.858 487 HG12 ILE 64 2HG1 ILE 64 29.083 11.011 -8.626 488 HG13 ILE 64 3HG1 ILE 64 27.782 9.969 -9.193 489 HG21 ILE 64 1HG2 ILE 64 28.744 10.953 -5.749 490 HG22 ILE 64 2HG2 ILE 64 29.447 9.394 -5.322 491 HG23 ILE 64 3HG2 ILE 64 30.269 10.445 -6.475 492 HD11 ILE 64 1HD1 ILE 64 27.546 12.017 -7.002 493 HD12 ILE 64 2HD1 ILE 64 27.001 12.220 -8.668 494 HD13 ILE 64 3HD1 ILE 64 26.246 11.008 -7.634 495 H LEU 65 H LEU 65 28.024 6.575 -6.609 496 HA LEU 65 HA LEU 65 30.056 6.053 -4.592 497 HB2 LEU 65 2HB LEU 65 27.160 5.426 -4.903 498 HB3 LEU 65 3HB LEU 65 28.135 4.432 -3.822 499 HG LEU 65 HG LEU 65 26.969 6.160 -2.582 500 HD11 LEU 65 1HD1 LEU 65 28.705 6.609 -1.212 501 HD12 LEU 65 2HD1 LEU 65 29.721 7.222 -2.515 502 HD13 LEU 65 3HD1 LEU 65 29.545 5.484 -2.279 503 HD21 LEU 65 1HD2 LEU 65 27.318 7.729 -4.777 504 HD22 LEU 65 2HD2 LEU 65 28.523 8.393 -3.673 505 HD23 LEU 65 3HD2 LEU 65 26.828 8.315 -3.188 506 H GLY 66 H GLY 66 28.755 4.632 -7.459 507 HA2 GLY 66 2HA GLY 66 29.719 2.892 -8.683 508 HA3 GLY 66 3HA GLY 66 30.715 2.495 -7.290 509 H LYS 67 H LYS 67 27.324 2.890 -6.801 510 HA LYS 67 HA LYS 67 26.953 -0.029 -6.809 511 HB2 LYS 67 2HB LYS 67 25.468 0.344 -4.769 512 HB3 LYS 67 3HB LYS 67 27.205 0.455 -4.515 513 HG2 LYS 67 2HG LYS 67 27.150 2.733 -4.196 514 HG3 LYS 67 3HG LYS 67 25.644 2.930 -5.094 515 HD2 LYS 67 2HD LYS 67 24.340 2.200 -3.312 516 HD3 LYS 67 3HD LYS 67 25.695 1.379 -2.532 517 HE2 LYS 67 2HE LYS 67 25.843 4.329 -2.888 518 HE3 LYS 67 3HE LYS 67 24.769 3.692 -1.644 519 HZ1 LYS 67 1HZ LYS 67 26.892 2.309 -1.044 520 HZ2 LYS 67 2HZ LYS 67 26.695 3.889 -0.471 521 HZ3 LYS 67 3HZ LYS 67 27.691 3.591 -1.805 522 H SER 68 H SER 68 25.367 -0.582 -8.135 523 HA SER 68 HA SER 68 23.423 1.401 -8.989 524 HB2 SER 68 2HB SER 68 24.445 -1.161 -10.022 525 HB3 SER 68 3HB SER 68 22.723 -0.899 -10.291 526 HG SER 68 HG SER 68 24.910 0.650 -11.173 527 H GLY 69 H GLY 69 22.962 -2.055 -8.279 528 HA2 GLY 69 2HA GLY 69 21.286 -3.155 -7.161 529 HA3 GLY 69 3HA GLY 69 21.322 -1.798 -6.044 530 H GLU 70 H GLU 70 19.720 -0.288 -6.103 531 HA GLU 70 HA GLU 70 17.222 -0.940 -7.059 532 HB2 GLU 70 2HB GLU 70 18.306 1.847 -6.608 533 HB3 GLU 70 3HB GLU 70 16.606 1.407 -6.684 534 HG2 GLU 70 2HG GLU 70 16.805 1.370 -4.450 535 HG3 GLU 70 3HG GLU 70 17.408 -0.260 -4.747 536 H LEU 71 H LEU 71 19.808 0.789 -8.679 537 HA LEU 71 HA LEU 71 18.460 1.921 -10.808 538 HB2 LEU 71 2HB LEU 71 21.141 1.376 -10.112 539 HB3 LEU 71 3HB LEU 71 20.905 0.779 -11.754 540 HG LEU 71 HG LEU 71 20.533 3.598 -10.757 541 HD11 LEU 71 1HD1 LEU 71 22.165 3.529 -13.000 542 HD12 LEU 71 2HD1 LEU 71 22.677 2.144 -12.037 543 HD13 LEU 71 3HD1 LEU 71 22.674 3.759 -11.327 544 HD21 LEU 71 1HD2 LEU 71 19.565 2.241 -13.219 545 HD22 LEU 71 2HD2 LEU 71 20.186 3.886 -13.360 546 HD23 LEU 71 3HD2 LEU 71 18.832 3.543 -12.281 547 H LYS 72 H LYS 72 19.643 -1.395 -10.447 548 HA LYS 72 HA LYS 72 19.026 -2.296 -13.033 549 HB2 LYS 72 2HB LYS 72 19.772 -3.482 -10.475 550 HB3 LYS 72 3HB LYS 72 18.671 -4.503 -11.391 551 HG2 LYS 72 2HG LYS 72 21.265 -3.381 -12.431 552 HG3 LYS 72 3HG LYS 72 21.028 -5.023 -11.828 553 HD2 LYS 72 2HD LYS 72 19.021 -4.808 -13.664 554 HD3 LYS 72 3HD LYS 72 20.292 -3.832 -14.405 555 HE2 LYS 72 2HE LYS 72 21.133 -6.427 -13.279 556 HE3 LYS 72 3HE LYS 72 20.089 -6.502 -14.697 557 HZ1 LYS 72 1HZ LYS 72 21.919 -6.177 -15.884 558 HZ2 LYS 72 2HZ LYS 72 22.845 -5.796 -14.521 559 HZ3 LYS 72 3HZ LYS 72 21.952 -4.589 -15.301 560 H THR 73 H THR 73 17.044 -1.758 -10.233 561 HA THR 73 HA THR 73 14.806 -3.289 -11.224 562 HB THR 73 HB THR 73 14.550 -1.235 -9.056 563 HG1 THR 73 HG1 THR 73 15.926 -3.715 -8.925 564 HG21 THR 73 1HG2 THR 73 13.223 -3.782 -9.853 565 HG22 THR 73 2HG2 THR 73 12.511 -2.254 -9.336 566 HG23 THR 73 3HG2 THR 73 13.235 -3.337 -8.147 567 H TRP 74 H TRP 74 15.714 0.121 -10.997 568 HA TRP 74 HA TRP 74 13.289 1.219 -11.887 569 HB2 TRP 74 2HB TRP 74 15.021 2.582 -10.837 570 HB3 TRP 74 3HB TRP 74 16.106 2.280 -12.191 571 HD1 TRP 74 HD1 TRP 74 16.268 4.355 -13.662 572 HE1 TRP 74 HE1 TRP 74 14.648 6.181 -14.478 573 HE3 TRP 74 HE3 TRP 74 12.025 2.807 -11.266 574 HZ2 TRP 74 HZ2 TRP 74 11.932 6.874 -14.150 575 HZ3 TRP 74 HZ3 TRP 74 9.959 4.107 -11.570 576 HH2 TRP 74 HH2 TRP 74 9.915 6.098 -12.981 577 H GLY 75 H GLY 75 16.196 0.240 -13.679 578 HA2 GLY 75 2HA GLY 75 15.392 1.088 -16.220 579 HA3 GLY 75 3HA GLY 75 16.516 -0.225 -15.903 580 H LEU 76 H LEU 76 14.690 -1.907 -14.490 581 HA LEU 76 HA LEU 76 13.390 -3.122 -16.747 582 HB2 LEU 76 2HB LEU 76 13.885 -3.832 -13.910 583 HB3 LEU 76 3HB LEU 76 12.536 -4.624 -14.722 584 HG LEU 76 HG LEU 76 15.420 -4.706 -15.607 585 HD11 LEU 76 1HD1 LEU 76 13.689 -6.584 -14.051 586 HD12 LEU 76 2HD1 LEU 76 15.347 -6.073 -13.740 587 HD13 LEU 76 3HD1 LEU 76 15.004 -7.196 -15.055 588 HD21 LEU 76 1HD2 LEU 76 12.913 -5.938 -16.728 589 HD22 LEU 76 2HD2 LEU 76 14.534 -6.505 -17.130 590 HD23 LEU 76 3HD2 LEU 76 14.048 -4.858 -17.537 591 H VAL 77 H VAL 77 12.262 -1.839 -13.619 592 HA VAL 77 HA VAL 77 9.532 -2.170 -14.025 593 HB VAL 77 HB VAL 77 10.948 -0.001 -12.471 594 HG11 VAL 77 1HG1 VAL 77 8.141 -0.425 -13.037 595 HG12 VAL 77 2HG1 VAL 77 8.477 -0.475 -11.305 596 HG13 VAL 77 3HG1 VAL 77 8.941 0.938 -12.254 597 HG21 VAL 77 1HG2 VAL 77 9.590 -2.300 -11.179 598 HG22 VAL 77 2HG2 VAL 77 11.131 -2.608 -11.978 599 HG23 VAL 77 3HG2 VAL 77 11.032 -1.413 -10.685 600 H LEU 78 H LEU 78 11.625 0.557 -14.887 601 HA LEU 78 HA LEU 78 9.576 2.232 -15.870 602 HB2 LEU 78 2HB LEU 78 11.788 3.060 -15.265 603 HB3 LEU 78 3HB LEU 78 12.504 2.136 -16.583 604 HG LEU 78 HG LEU 78 11.337 3.538 -18.208 605 HD11 LEU 78 1HD1 LEU 78 9.735 4.218 -15.986 606 HD12 LEU 78 2HD1 LEU 78 9.566 4.749 -17.659 607 HD13 LEU 78 3HD1 LEU 78 10.533 5.694 -16.528 608 HD21 LEU 78 1HD2 LEU 78 13.541 4.194 -16.762 609 HD22 LEU 78 2HD2 LEU 78 12.532 5.620 -16.521 610 HD23 LEU 78 3HD2 LEU 78 12.948 5.100 -18.155 611 H GLY 79 H GLY 79 11.501 -0.311 -17.341 612 HA2 GLY 79 2HA GLY 79 10.943 0.202 -20.038 613 HA3 GLY 79 3HA GLY 79 11.327 -1.376 -19.366 614 H ALA 80 H ALA 80 9.086 -1.562 -17.610 615 HA ALA 80 HA ALA 80 7.187 -2.689 -19.356 616 HB1 ALA 80 1HB ALA 80 6.688 -3.698 -17.444 617 HB2 ALA 80 2HB ALA 80 7.588 -2.495 -16.520 618 HB3 ALA 80 3HB ALA 80 5.893 -2.214 -16.917 619 H LEU 81 H LEU 81 7.126 0.324 -17.468 620 HA LEU 81 HA LEU 81 4.563 1.127 -18.420 621 HB2 LEU 81 2HB LEU 81 6.718 2.887 -17.269 622 HB3 LEU 81 3HB LEU 81 4.986 3.209 -17.319 623 HG LEU 81 HG LEU 81 5.786 0.782 -15.850 624 HD11 LEU 81 1HD1 LEU 81 6.202 3.406 -14.480 625 HD12 LEU 81 2HD1 LEU 81 7.522 2.641 -15.365 626 HD13 LEU 81 3HD1 LEU 81 6.760 1.798 -14.017 627 HD21 LEU 81 1HD2 LEU 81 3.507 2.224 -16.126 628 HD22 LEU 81 2HD2 LEU 81 4.140 2.877 -14.615 629 HD23 LEU 81 3HD2 LEU 81 3.848 1.144 -14.773 630 H LYS 82 H LYS 82 7.871 1.701 -19.442 631 HA LYS 82 HA LYS 82 7.493 3.832 -21.186 632 HB2 LYS 82 2HB LYS 82 9.431 1.534 -21.168 633 HB3 LYS 82 3HB LYS 82 9.460 2.729 -22.458 634 HG2 LYS 82 2HG LYS 82 9.425 3.881 -19.771 635 HG3 LYS 82 3HG LYS 82 10.849 2.899 -20.124 636 HD2 LYS 82 2HD LYS 82 11.557 4.931 -20.909 637 HD3 LYS 82 3HD LYS 82 10.818 4.278 -22.373 638 HE2 LYS 82 2HE LYS 82 8.707 5.489 -21.082 639 HE3 LYS 82 3HE LYS 82 10.055 6.576 -20.753 640 HZ1 LYS 82 1HZ LYS 82 8.565 6.480 -23.046 641 HZ2 LYS 82 2HZ LYS 82 10.019 5.729 -23.475 642 HZ3 LYS 82 3HZ LYS 82 10.033 7.296 -22.838 643 H ALA 83 H ALA 83 7.355 0.345 -21.896 644 HA ALA 83 HA ALA 83 6.679 0.587 -24.607 645 HB1 ALA 83 1HB ALA 83 7.233 -1.561 -24.280 646 HB2 ALA 83 2HB ALA 83 6.693 -1.549 -22.601 647 HB3 ALA 83 3HB ALA 83 5.523 -1.771 -23.902 648 H ALA 84 H ALA 84 4.669 0.425 -21.705 649 HA ALA 84 HA ALA 84 2.168 0.139 -22.879 650 HB1 ALA 84 1HB ALA 84 2.838 0.151 -20.393 651 HB2 ALA 84 2HB ALA 84 2.581 1.894 -20.486 652 HB3 ALA 84 3HB ALA 84 1.255 0.786 -20.840 653 H ARG 85 H ARG 85 4.275 2.889 -22.776 654 HA ARG 85 HA ARG 85 2.181 4.739 -23.581 655 HB2 ARG 85 2HB ARG 85 5.130 5.338 -23.456 656 HB3 ARG 85 3HB ARG 85 3.782 6.461 -23.328 657 HG2 ARG 85 2HG ARG 85 3.346 4.751 -21.227 658 HG3 ARG 85 3HG ARG 85 5.105 4.884 -21.274 659 HD2 ARG 85 2HD ARG 85 4.094 6.584 -19.823 660 HD3 ARG 85 3HD ARG 85 4.949 7.304 -21.187 661 HE ARG 85 HE ARG 85 2.111 6.907 -21.580 662 HH11 ARG 85 1HH1 ARG 85 4.635 9.071 -20.547 663 HH12 ARG 85 2HH1 ARG 85 3.687 10.501 -20.787 664 HH21 ARG 85 1HH2 ARG 85 0.852 8.782 -21.900 665 HH22 ARG 85 2HH2 ARG 85 1.535 10.335 -21.556 666 H GLU 86 H GLU 86 4.841 2.949 -24.971 667 HA GLU 86 HA GLU 86 5.052 4.336 -27.413 668 HB2 GLU 86 2HB GLU 86 5.849 1.640 -26.427 669 HB3 GLU 86 3HB GLU 86 5.840 1.908 -28.164 670 HG2 GLU 86 2HG GLU 86 7.506 3.522 -28.053 671 HG3 GLU 86 3HG GLU 86 7.250 3.804 -26.332 672 H GLU 87 H GLU 87 3.192 1.438 -26.524 673 HA GLU 87 HA GLU 87 1.637 1.778 -29.003 674 HB2 GLU 87 2HB GLU 87 2.229 -0.684 -27.362 675 HB3 GLU 87 3HB GLU 87 0.990 -0.646 -28.609 676 HG2 GLU 87 2HG GLU 87 2.694 -0.058 -30.270 677 HG3 GLU 87 3HG GLU 87 3.929 -0.141 -29.016 Start of MODEL 3 1 H1 SER 1 H SER 1 0.526 0.692 0.524 2 HA SER 1 HA SER 1 1.125 1.257 -2.124 3 HB2 SER 1 2HB SER 1 3.578 0.885 -1.286 4 HB3 SER 1 3HB SER 1 2.615 2.195 -0.603 5 HG SER 1 HG SER 1 3.131 1.264 1.217 6 H GLU 2 H GLU 2 1.128 -1.775 -0.446 7 HA GLU 2 HA GLU 2 2.854 -3.311 -1.955 8 HB2 GLU 2 2HB GLU 2 0.168 -4.191 -0.883 9 HB3 GLU 2 3HB GLU 2 1.517 -5.240 -1.297 10 HG2 GLU 2 2HG GLU 2 2.567 -3.406 0.512 11 HG3 GLU 2 3HG GLU 2 0.975 -3.817 1.146 12 H ALA 3 H ALA 3 -0.503 -2.439 -2.647 13 HA ALA 3 HA ALA 3 -0.995 -4.020 -4.855 14 HB1 ALA 3 1HB ALA 3 -1.955 -1.315 -4.032 15 HB2 ALA 3 2HB ALA 3 -2.415 -1.968 -5.604 16 HB3 ALA 3 3HB ALA 3 -2.837 -2.839 -4.130 17 H VAL 4 H VAL 4 0.832 -1.017 -4.646 18 HA VAL 4 HA VAL 4 1.095 -0.505 -7.395 19 HB VAL 4 HB VAL 4 3.059 0.161 -5.198 20 HG11 VAL 4 1HG1 VAL 4 4.304 1.173 -6.734 21 HG12 VAL 4 2HG1 VAL 4 3.271 0.469 -7.979 22 HG13 VAL 4 3HG1 VAL 4 2.910 2.070 -7.333 23 HG21 VAL 4 1HG2 VAL 4 0.946 1.066 -4.592 24 HG22 VAL 4 2HG2 VAL 4 1.896 2.391 -5.264 25 HG23 VAL 4 3HG2 VAL 4 0.641 1.624 -6.237 26 H ILE 5 H ILE 5 3.152 -2.342 -5.161 27 HA ILE 5 HA ILE 5 5.130 -2.999 -7.084 28 HB ILE 5 HB ILE 5 4.428 -4.435 -4.521 29 HG12 ILE 5 2HG1 ILE 5 6.690 -2.494 -4.955 30 HG13 ILE 5 3HG1 ILE 5 5.098 -1.955 -4.433 31 HG21 ILE 5 1HG2 ILE 5 5.785 -5.990 -5.429 32 HG22 ILE 5 2HG2 ILE 5 6.502 -4.853 -6.569 33 HG23 ILE 5 3HG2 ILE 5 7.056 -4.891 -4.896 34 HD11 ILE 5 1HD1 ILE 5 5.845 -2.277 -2.368 35 HD12 ILE 5 2HD1 ILE 5 5.663 -4.002 -2.692 36 HD13 ILE 5 3HD1 ILE 5 7.227 -3.221 -2.925 37 H LYS 6 H LYS 6 2.020 -4.301 -6.341 38 HA LYS 6 HA LYS 6 2.473 -6.868 -7.554 39 HB2 LYS 6 2HB LYS 6 -0.045 -5.444 -6.685 40 HB3 LYS 6 3HB LYS 6 -0.031 -7.068 -7.361 41 HG2 LYS 6 2HG LYS 6 1.036 -7.968 -5.508 42 HG3 LYS 6 3HG LYS 6 1.638 -6.399 -4.970 43 HD2 LYS 6 2HD LYS 6 -1.072 -6.024 -4.931 44 HD3 LYS 6 3HD LYS 6 -0.924 -7.714 -4.445 45 HE2 LYS 6 2HE LYS 6 0.980 -5.893 -3.152 46 HE3 LYS 6 3HE LYS 6 -0.712 -5.581 -2.765 47 HZ1 LYS 6 1HZ LYS 6 -0.843 -8.055 -2.291 48 HZ2 LYS 6 2HZ LYS 6 0.003 -7.109 -1.174 49 HZ3 LYS 6 3HZ LYS 6 0.849 -8.048 -2.298 50 H VAL 7 H VAL 7 1.514 -3.726 -8.622 51 HA VAL 7 HA VAL 7 0.257 -4.578 -11.054 52 HB VAL 7 HB VAL 7 1.372 -1.852 -10.385 53 HG11 VAL 7 1HG1 VAL 7 -0.314 -1.092 -12.047 54 HG12 VAL 7 2HG1 VAL 7 0.967 -2.087 -12.741 55 HG13 VAL 7 3HG1 VAL 7 -0.626 -2.782 -12.442 56 HG21 VAL 7 1HG2 VAL 7 -1.433 -1.875 -10.183 57 HG22 VAL 7 2HG2 VAL 7 -0.855 -3.269 -9.271 58 HG23 VAL 7 3HG2 VAL 7 -0.257 -1.654 -8.887 59 H ILE 8 H ILE 8 3.456 -3.356 -10.161 60 HA ILE 8 HA ILE 8 4.452 -3.357 -12.842 61 HB ILE 8 HB ILE 8 5.966 -3.298 -10.228 62 HG12 ILE 8 2HG1 ILE 8 5.940 -0.839 -11.746 63 HG13 ILE 8 3HG1 ILE 8 4.296 -1.366 -11.402 64 HG21 ILE 8 1HG2 ILE 8 7.450 -4.015 -11.945 65 HG22 ILE 8 2HG2 ILE 8 6.840 -2.798 -13.065 66 HG23 ILE 8 3HG2 ILE 8 7.777 -2.307 -11.654 67 HD11 ILE 8 1HD1 ILE 8 6.462 -0.569 -9.518 68 HD12 ILE 8 2HD1 ILE 8 4.776 -0.053 -9.582 69 HD13 ILE 8 3HD1 ILE 8 5.185 -1.660 -8.981 70 H SER 9 H SER 9 4.634 -5.578 -10.102 71 HA SER 9 HA SER 9 6.496 -7.378 -11.179 72 HB2 SER 9 2HB SER 9 5.702 -8.953 -9.514 73 HB3 SER 9 3HB SER 9 5.754 -7.343 -8.797 74 HG SER 9 HG SER 9 3.800 -8.499 -8.342 75 H SER 10 H SER 10 3.207 -6.795 -11.957 76 HA SER 10 HA SER 10 3.036 -9.324 -13.447 77 HB2 SER 10 2HB SER 10 1.130 -9.186 -12.089 78 HB3 SER 10 3HB SER 10 0.953 -7.452 -12.351 79 HG SER 10 HG SER 10 -0.581 -8.454 -13.592 80 H ALA 11 H ALA 11 3.158 -5.878 -13.758 81 HA ALA 11 HA ALA 11 2.289 -5.835 -16.508 82 HB1 ALA 11 1HB ALA 11 2.751 -3.474 -16.439 83 HB2 ALA 11 2HB ALA 11 1.902 -3.938 -14.964 84 HB3 ALA 11 3HB ALA 11 3.642 -3.654 -14.927 85 H CYS 12 H CYS 12 5.259 -6.246 -14.805 86 HA CYS 12 HA CYS 12 6.946 -5.514 -17.028 87 HB2 CYS 12 2HB CYS 12 7.395 -6.576 -14.268 88 HB3 CYS 12 3HB CYS 12 8.684 -6.725 -15.456 89 HG CYS 12 HG CYS 12 7.294 -3.668 -15.082 90 H LYS 13 H LYS 13 5.844 -8.500 -15.486 91 HA LYS 13 HA LYS 13 7.377 -10.320 -16.942 92 HB2 LYS 13 2HB LYS 13 5.463 -11.922 -16.454 93 HB3 LYS 13 3HB LYS 13 6.207 -11.146 -15.062 94 HG2 LYS 13 2HG LYS 13 4.380 -9.602 -14.873 95 HG3 LYS 13 3HG LYS 13 3.666 -10.202 -16.371 96 HD2 LYS 13 2HD LYS 13 3.888 -12.500 -14.945 97 HD3 LYS 13 3HD LYS 13 3.599 -11.329 -13.655 98 HE2 LYS 13 2HE LYS 13 1.604 -10.534 -14.857 99 HE3 LYS 13 3HE LYS 13 1.887 -11.746 -16.105 100 HZ1 LYS 13 1HZ LYS 13 0.220 -12.322 -14.318 101 HZ2 LYS 13 2HZ LYS 13 1.530 -12.474 -13.259 102 HZ3 LYS 13 3HZ LYS 13 1.421 -13.476 -14.618 103 H THR 14 H THR 14 4.373 -8.689 -17.749 104 HA THR 14 HA THR 14 3.972 -10.218 -20.164 105 HB THR 14 HB THR 14 2.580 -7.770 -19.072 106 HG1 THR 14 HG1 THR 14 1.650 -9.346 -17.994 107 HG21 THR 14 1HG2 THR 14 1.874 -7.388 -21.162 108 HG22 THR 14 2HG2 THR 14 0.943 -8.878 -21.007 109 HG23 THR 14 3HG2 THR 14 2.543 -8.910 -21.748 110 H TYR 15 H TYR 15 4.952 -6.901 -19.356 111 HA TYR 15 HA TYR 15 5.406 -6.189 -22.099 112 HB2 TYR 15 2HB TYR 15 5.991 -4.836 -19.472 113 HB3 TYR 15 3HB TYR 15 6.527 -4.156 -21.004 114 HD1 TYR 15 HD1 TYR 15 5.198 -2.456 -21.794 115 HD2 TYR 15 HD2 TYR 15 3.364 -5.655 -19.671 116 HE1 TYR 15 HE1 TYR 15 3.002 -1.388 -22.093 117 HE2 TYR 15 HE2 TYR 15 1.164 -4.597 -19.964 118 HH TYR 15 HH TYR 15 0.072 -3.000 -21.451 119 H CYS 16 H CYS 16 7.745 -5.934 -19.441 120 HA CYS 16 HA CYS 16 10.026 -6.067 -20.984 121 HB2 CYS 16 2HB CYS 16 9.417 -6.620 -18.122 122 HB3 CYS 16 3HB CYS 16 10.978 -7.150 -18.736 123 HG CYS 16 HG CYS 16 11.592 -4.505 -19.696 124 H GLY 17 H GLY 17 7.960 -8.653 -19.900 125 HA2 GLY 17 2HA GLY 17 7.854 -10.767 -20.938 126 HA3 GLY 17 3HA GLY 17 9.472 -10.510 -21.574 127 H LYS 18 H LYS 18 10.665 -12.151 -20.845 128 HA LYS 18 HA LYS 18 10.297 -13.138 -18.130 129 HB2 LYS 18 2HB LYS 18 11.831 -14.927 -18.787 130 HB3 LYS 18 3HB LYS 18 10.521 -14.765 -19.948 131 HG2 LYS 18 2HG LYS 18 11.963 -14.475 -21.600 132 HG3 LYS 18 3HG LYS 18 12.717 -13.120 -20.756 133 HD2 LYS 18 2HD LYS 18 14.074 -14.735 -19.461 134 HD3 LYS 18 3HD LYS 18 13.368 -16.047 -20.408 135 HE2 LYS 18 2HE LYS 18 14.671 -15.621 -22.185 136 HE3 LYS 18 3HE LYS 18 14.489 -13.875 -22.019 137 HZ1 LYS 18 1HZ LYS 18 16.025 -14.499 -19.899 138 HZ2 LYS 18 2HZ LYS 18 16.616 -13.947 -21.384 139 HZ3 LYS 18 3HZ LYS 18 16.582 -15.605 -21.053 140 H THR 19 H THR 19 11.230 -10.572 -18.091 141 HA THR 19 HA THR 19 13.867 -10.950 -16.898 142 HB THR 19 HB THR 19 14.110 -8.460 -18.122 143 HG1 THR 19 HG1 THR 19 13.429 -8.669 -20.162 144 HG21 THR 19 1HG2 THR 19 15.344 -11.126 -18.329 145 HG22 THR 19 2HG2 THR 19 16.091 -9.545 -18.099 146 HG23 THR 19 3HG2 THR 19 15.608 -10.065 -19.713 147 H SER 20 H SER 20 10.923 -10.201 -16.258 148 HA SER 20 HA SER 20 10.801 -7.582 -15.315 149 HB2 SER 20 2HB SER 20 9.102 -8.607 -13.645 150 HB3 SER 20 3HB SER 20 8.751 -8.719 -15.369 151 HG SER 20 HG SER 20 8.434 -10.734 -14.515 152 HA PRO 21 HA PRO 21 13.309 -7.392 -11.721 153 HB2 PRO 21 2HB PRO 21 11.833 -5.797 -10.095 154 HB3 PRO 21 3HB PRO 21 12.675 -5.192 -11.526 155 HG2 PRO 21 2HG PRO 21 9.790 -5.917 -11.191 156 HG3 PRO 21 3HG PRO 21 10.504 -4.522 -12.020 157 HD2 PRO 21 2HD PRO 21 9.611 -6.705 -13.349 158 HD3 PRO 21 3HD PRO 21 10.985 -5.736 -13.919 159 H SER 22 H SER 22 13.258 -7.675 -9.289 160 HA SER 22 HA SER 22 11.477 -9.922 -8.642 161 HB2 SER 22 2HB SER 22 14.111 -10.021 -8.575 162 HB3 SER 22 3HB SER 22 13.892 -9.252 -7.003 163 HG SER 22 HG SER 22 13.789 -11.365 -6.541 164 H LYS 23 H LYS 23 10.530 -10.061 -6.554 165 HA LYS 23 HA LYS 23 9.252 -7.790 -5.647 166 HB2 LYS 23 2HB LYS 23 9.185 -10.477 -5.022 167 HB3 LYS 23 3HB LYS 23 9.734 -9.743 -3.521 168 HG2 LYS 23 2HG LYS 23 7.735 -8.111 -3.936 169 HG3 LYS 23 3HG LYS 23 7.141 -9.426 -4.952 170 HD2 LYS 23 2HD LYS 23 7.669 -10.907 -2.878 171 HD3 LYS 23 3HD LYS 23 7.620 -9.377 -1.999 172 HE2 LYS 23 2HE LYS 23 5.391 -10.018 -3.865 173 HE3 LYS 23 3HE LYS 23 5.458 -10.861 -2.318 174 HZ1 LYS 23 1HZ LYS 23 4.270 -9.045 -1.710 175 HZ2 LYS 23 2HZ LYS 23 4.963 -8.037 -2.877 176 HZ3 LYS 23 3HZ LYS 23 5.817 -8.407 -1.465 177 H LYS 24 H LYS 24 12.180 -9.317 -4.338 178 HA LYS 24 HA LYS 24 12.559 -7.489 -2.223 179 HB2 LYS 24 2HB LYS 24 13.665 -9.642 -2.211 180 HB3 LYS 24 3HB LYS 24 14.529 -9.249 -3.691 181 HG2 LYS 24 2HG LYS 24 15.960 -9.067 -1.722 182 HG3 LYS 24 3HG LYS 24 15.770 -7.514 -2.538 183 HD2 LYS 24 2HD LYS 24 14.874 -6.582 -0.721 184 HD3 LYS 24 3HD LYS 24 13.730 -7.912 -0.524 185 HE2 LYS 24 2HE LYS 24 14.940 -8.104 1.414 186 HE3 LYS 24 3HE LYS 24 15.847 -9.185 0.358 187 HZ1 LYS 24 1HZ LYS 24 16.537 -6.375 1.025 188 HZ2 LYS 24 2HZ LYS 24 17.371 -7.324 -0.100 189 HZ3 LYS 24 3HZ LYS 24 17.358 -7.765 1.534 190 H GLU 25 H GLU 25 13.333 -7.373 -5.609 191 HA GLU 25 HA GLU 25 15.234 -5.241 -5.413 192 HB2 GLU 25 2HB GLU 25 13.908 -6.749 -7.586 193 HB3 GLU 25 3HB GLU 25 14.415 -5.114 -7.985 194 HG2 GLU 25 2HG GLU 25 16.598 -6.196 -6.672 195 HG3 GLU 25 3HG GLU 25 15.989 -7.516 -7.668 196 H ILE 26 H ILE 26 11.813 -5.452 -6.343 197 HA ILE 26 HA ILE 26 11.421 -2.751 -6.948 198 HB ILE 26 HB ILE 26 9.418 -4.703 -5.807 199 HG12 ILE 26 2HG1 ILE 26 10.064 -3.975 -8.673 200 HG13 ILE 26 3HG1 ILE 26 10.463 -5.498 -7.884 201 HG21 ILE 26 1HG2 ILE 26 8.995 -2.116 -7.298 202 HG22 ILE 26 2HG2 ILE 26 7.729 -3.243 -6.812 203 HG23 ILE 26 3HG2 ILE 26 8.673 -2.396 -5.587 204 HD11 ILE 26 1HD1 ILE 26 7.689 -4.456 -8.404 205 HD12 ILE 26 2HD1 ILE 26 8.515 -5.723 -9.312 206 HD13 ILE 26 3HD1 ILE 26 8.090 -5.984 -7.621 207 H GLY 27 H GLY 27 10.970 -4.497 -3.882 208 HA2 GLY 27 2HA GLY 27 10.013 -2.328 -2.379 209 HA3 GLY 27 3HA GLY 27 10.815 -3.745 -1.720 210 H ALA 28 H ALA 28 13.212 -3.093 -3.449 211 HA ALA 28 HA ALA 28 14.434 -1.257 -1.538 212 HB1 ALA 28 1HB ALA 28 16.545 -1.977 -2.871 213 HB2 ALA 28 2HB ALA 28 15.787 -3.115 -1.757 214 HB3 ALA 28 3HB ALA 28 15.496 -3.253 -3.491 215 H MET 29 H MET 29 12.832 -0.931 -4.359 216 HA MET 29 HA MET 29 14.566 1.236 -5.340 217 HB2 MET 29 2HB MET 29 14.120 -0.449 -7.026 218 HB3 MET 29 3HB MET 29 12.388 -0.317 -6.748 219 HG2 MET 29 2HG MET 29 12.560 2.078 -7.484 220 HG3 MET 29 3HG MET 29 14.214 1.726 -7.977 221 HE1 MET 29 1HE MET 29 10.302 0.195 -9.593 222 HE2 MET 29 2HE MET 29 10.638 1.278 -8.243 223 HE3 MET 29 3HE MET 29 10.646 1.898 -9.894 224 H LEU 30 H LEU 30 11.142 0.418 -4.806 225 HA LEU 30 HA LEU 30 10.002 2.882 -5.273 226 HB2 LEU 30 2HB LEU 30 9.310 0.517 -3.662 227 HB3 LEU 30 3HB LEU 30 8.499 2.012 -3.198 228 HG LEU 30 HG LEU 30 7.508 2.217 -5.377 229 HD11 LEU 30 1HD1 LEU 30 7.957 -0.038 -6.807 230 HD12 LEU 30 2HD1 LEU 30 9.544 0.224 -6.085 231 HD13 LEU 30 3HD1 LEU 30 8.801 1.490 -7.062 232 HD21 LEU 30 1HD2 LEU 30 6.076 0.272 -5.387 233 HD22 LEU 30 2HD2 LEU 30 6.406 0.753 -3.723 234 HD23 LEU 30 3HD2 LEU 30 7.244 -0.632 -4.424 235 H SER 31 H SER 31 10.944 1.644 -2.060 236 HA SER 31 HA SER 31 10.524 3.964 -0.617 237 HB2 SER 31 2HB SER 31 10.974 2.196 0.780 238 HB3 SER 31 3HB SER 31 12.257 1.568 -0.254 239 HG SER 31 HG SER 31 13.248 2.420 1.522 240 H LEU 32 H LEU 32 13.407 2.955 -2.402 241 HA LEU 32 HA LEU 32 15.146 4.978 -1.617 242 HB2 LEU 32 2HB LEU 32 15.577 2.901 -3.055 243 HB3 LEU 32 3HB LEU 32 15.056 3.894 -4.414 244 HG LEU 32 HG LEU 32 17.537 3.708 -4.108 245 HD11 LEU 32 1HD1 LEU 32 17.772 5.698 -5.107 246 HD12 LEU 32 2HD1 LEU 32 17.041 6.572 -3.761 247 HD13 LEU 32 3HD1 LEU 32 16.016 5.795 -4.967 248 HD21 LEU 32 1HD2 LEU 32 16.979 4.193 -1.465 249 HD22 LEU 32 2HD2 LEU 32 17.593 5.748 -2.026 250 HD23 LEU 32 3HD2 LEU 32 18.572 4.293 -2.217 251 H LEU 33 H LEU 33 12.887 4.915 -4.362 252 HA LEU 33 HA LEU 33 13.478 7.386 -5.465 253 HB2 LEU 33 2HB LEU 33 10.815 5.989 -5.272 254 HB3 LEU 33 3HB LEU 33 11.152 7.364 -6.322 255 HG LEU 33 HG LEU 33 12.512 4.678 -6.519 256 HD11 LEU 33 1HD1 LEU 33 9.912 5.207 -7.170 257 HD12 LEU 33 2HD1 LEU 33 10.915 3.957 -7.905 258 HD13 LEU 33 3HD1 LEU 33 10.751 5.528 -8.688 259 HD21 LEU 33 1HD2 LEU 33 13.849 6.570 -7.330 260 HD22 LEU 33 2HD2 LEU 33 12.517 7.051 -8.382 261 HD23 LEU 33 3HD2 LEU 33 13.337 5.512 -8.645 262 H GLN 34 H GLN 34 11.250 6.594 -2.828 263 HA GLN 34 HA GLN 34 10.278 9.238 -2.483 264 HB2 GLN 34 2HB GLN 34 10.370 7.054 -0.400 265 HB3 GLN 34 3HB GLN 34 9.280 8.433 -0.448 266 HG2 GLN 34 2HG GLN 34 8.137 7.558 -2.347 267 HG3 GLN 34 3HG GLN 34 9.331 6.276 -2.541 268 HE21 GLN 34 1HE2 GLN 34 6.448 7.251 -1.024 269 HE22 GLN 34 2HE2 GLN 34 6.195 5.836 -0.066 270 H LYS 35 H LYS 35 12.650 7.325 -0.635 271 HA LYS 35 HA LYS 35 13.388 9.257 1.208 272 HB2 LYS 35 2HB LYS 35 14.085 6.792 1.071 273 HB3 LYS 35 3HB LYS 35 15.358 7.333 -0.015 274 HG2 LYS 35 2HG LYS 35 15.873 9.007 1.941 275 HG3 LYS 35 3HG LYS 35 15.029 7.792 2.904 276 HD2 LYS 35 2HD LYS 35 17.112 6.843 1.015 277 HD3 LYS 35 3HD LYS 35 17.652 7.692 2.465 278 HE2 LYS 35 2HE LYS 35 15.904 6.038 3.600 279 HE3 LYS 35 3HE LYS 35 16.299 5.066 2.184 280 HZ1 LYS 35 1HZ LYS 35 18.723 5.621 2.889 281 HZ2 LYS 35 2HZ LYS 35 17.880 4.379 3.668 282 HZ3 LYS 35 3HZ LYS 35 18.029 5.893 4.408 283 H GLU 36 H GLU 36 14.939 8.548 -1.924 284 HA GLU 36 HA GLU 36 16.894 10.500 -1.880 285 HB2 GLU 36 2HB GLU 36 16.026 8.651 -3.709 286 HB3 GLU 36 3HB GLU 36 15.617 10.166 -4.502 287 HG2 GLU 36 2HG GLU 36 18.345 9.623 -3.379 288 HG3 GLU 36 3HG GLU 36 17.885 9.176 -5.020 289 H GLY 37 H GLY 37 13.471 10.822 -2.413 290 HA2 GLY 37 2HA GLY 37 12.352 12.893 -2.034 291 HA3 GLY 37 3HA GLY 37 13.819 13.736 -2.509 292 H LEU 38 H LEU 38 12.544 11.063 -4.355 293 HA LEU 38 HA LEU 38 12.233 12.821 -6.647 294 HB2 LEU 38 2HB LEU 38 11.996 9.828 -6.381 295 HB3 LEU 38 3HB LEU 38 11.875 10.717 -7.897 296 HG LEU 38 HG LEU 38 14.325 10.544 -6.144 297 HD11 LEU 38 1HD1 LEU 38 14.932 9.482 -8.596 298 HD12 LEU 38 2HD1 LEU 38 13.295 8.892 -8.313 299 HD13 LEU 38 3HD1 LEU 38 14.567 8.560 -7.138 300 HD21 LEU 38 1HD2 LEU 38 13.614 12.180 -8.507 301 HD22 LEU 38 2HD2 LEU 38 15.229 11.471 -8.477 302 HD23 LEU 38 3HD2 LEU 38 14.707 12.532 -7.168 303 H LEU 39 H LEU 39 10.243 10.237 -5.193 304 HA LEU 39 HA LEU 39 7.858 11.785 -5.968 305 HB2 LEU 39 2HB LEU 39 6.799 9.383 -5.844 306 HB3 LEU 39 3HB LEU 39 7.602 9.960 -7.302 307 HG LEU 39 HG LEU 39 9.671 8.748 -6.475 308 HD11 LEU 39 1HD1 LEU 39 7.650 7.799 -4.482 309 HD12 LEU 39 2HD1 LEU 39 9.307 8.343 -4.219 310 HD13 LEU 39 3HD1 LEU 39 9.002 6.772 -4.961 311 HD21 LEU 39 1HD2 LEU 39 7.673 7.956 -8.091 312 HD22 LEU 39 2HD2 LEU 39 7.599 6.686 -6.870 313 HD23 LEU 39 3HD2 LEU 39 9.100 6.977 -7.751 314 H MET 40 H MET 40 5.896 11.169 -4.628 315 HA MET 40 HA MET 40 6.689 11.195 -1.814 316 HB2 MET 40 2HB MET 40 4.201 12.020 -3.283 317 HB3 MET 40 3HB MET 40 4.183 11.783 -1.540 318 HG2 MET 40 2HG MET 40 4.577 14.036 -1.707 319 HG3 MET 40 3HG MET 40 6.211 13.395 -1.556 320 HE1 MET 40 1HE MET 40 7.889 15.115 -3.041 321 HE2 MET 40 2HE MET 40 7.907 13.353 -3.104 322 HE3 MET 40 3HE MET 40 8.013 14.289 -4.595 323 H SER 41 H SER 41 5.081 9.227 -4.159 324 HA SER 41 HA SER 41 4.772 7.123 -2.160 325 HB2 SER 41 2HB SER 41 2.560 8.569 -3.370 326 HB3 SER 41 3HB SER 41 2.476 6.843 -3.721 327 HG SER 41 HG SER 41 2.912 7.856 -1.114 328 HA PRO 42 HA PRO 42 6.151 4.426 -5.332 329 HB2 PRO 42 2HB PRO 42 4.705 2.176 -4.870 330 HB3 PRO 42 3HB PRO 42 6.014 2.712 -3.810 331 HG2 PRO 42 2HG PRO 42 3.057 3.056 -3.492 332 HG3 PRO 42 3HG PRO 42 4.268 2.605 -2.277 333 HD2 PRO 42 2HD PRO 42 3.282 5.118 -2.489 334 HD3 PRO 42 3HD PRO 42 4.943 4.786 -1.959 335 H SER 43 H SER 43 2.814 5.271 -5.172 336 HA SER 43 HA SER 43 2.040 3.933 -7.599 337 HB2 SER 43 2HB SER 43 0.097 5.812 -7.184 338 HB3 SER 43 3HB SER 43 0.108 4.208 -6.451 339 HG SER 43 HG SER 43 0.807 6.687 -5.331 340 H ASP 44 H ASP 44 3.871 6.627 -6.960 341 HA ASP 44 HA ASP 44 2.957 8.382 -9.015 342 HB2 ASP 44 2HB ASP 44 4.662 8.640 -6.888 343 HB3 ASP 44 3HB ASP 44 5.786 8.597 -8.244 344 H LEU 45 H LEU 45 4.535 5.445 -9.126 345 HA LEU 45 HA LEU 45 6.402 5.829 -11.200 346 HB2 LEU 45 2HB LEU 45 5.192 3.601 -9.791 347 HB3 LEU 45 3HB LEU 45 5.452 3.241 -11.496 348 HG LEU 45 HG LEU 45 7.853 3.919 -11.164 349 HD11 LEU 45 1HD1 LEU 45 8.355 3.505 -8.550 350 HD12 LEU 45 2HD1 LEU 45 6.811 4.352 -8.446 351 HD13 LEU 45 3HD1 LEU 45 8.174 5.102 -9.277 352 HD21 LEU 45 1HD2 LEU 45 6.857 1.547 -11.100 353 HD22 LEU 45 2HD2 LEU 45 7.122 1.641 -9.359 354 HD23 LEU 45 3HD2 LEU 45 8.486 1.790 -10.468 355 H TYR 46 H TYR 46 3.012 5.888 -11.212 356 HA TYR 46 HA TYR 46 2.794 5.158 -14.028 357 HB2 TYR 46 2HB TYR 46 0.580 6.072 -12.189 358 HB3 TYR 46 3HB TYR 46 0.421 5.211 -13.716 359 HD1 TYR 46 HD1 TYR 46 2.448 3.082 -13.384 360 HD2 TYR 46 HD2 TYR 46 -0.389 4.641 -10.621 361 HE1 TYR 46 HE1 TYR 46 2.453 0.938 -12.179 362 HE2 TYR 46 HE2 TYR 46 -0.391 2.501 -9.408 363 HH TYR 46 HH TYR 46 0.788 0.542 -9.127 364 H SER 47 H SER 47 4.153 7.633 -12.993 365 HA SER 47 HA SER 47 2.535 9.618 -14.454 366 HB2 SER 47 2HB SER 47 2.867 10.081 -12.004 367 HB3 SER 47 3HB SER 47 4.598 10.208 -12.320 368 HG SER 47 HG SER 47 2.578 11.990 -12.844 369 HA PRO 48 HA PRO 48 6.251 8.969 -17.053 370 HB2 PRO 48 2HB PRO 48 4.966 9.515 -19.382 371 HB3 PRO 48 3HB PRO 48 4.941 7.919 -18.622 372 HG2 PRO 48 2HG PRO 48 2.879 10.087 -18.543 373 HG3 PRO 48 3HG PRO 48 2.658 8.340 -18.755 374 HD2 PRO 48 2HD PRO 48 2.255 9.582 -16.383 375 HD3 PRO 48 3HD PRO 48 2.852 7.915 -16.498 376 H GLY 49 H GLY 49 7.234 10.858 -16.188 377 HA2 GLY 49 2HA GLY 49 7.551 12.984 -17.960 378 HA3 GLY 49 3HA GLY 49 6.360 13.488 -16.770 379 H SER 50 H SER 50 7.637 11.864 -14.653 380 HA SER 50 HA SER 50 9.765 13.771 -14.010 381 HB2 SER 50 2HB SER 50 7.882 12.107 -12.406 382 HB3 SER 50 3HB SER 50 9.453 12.479 -11.697 383 HG SER 50 HG SER 50 7.308 14.046 -11.884 384 H TRP 51 H TRP 51 9.613 10.918 -15.492 385 HA TRP 51 HA TRP 51 11.543 9.364 -14.085 386 HB2 TRP 51 2HB TRP 51 10.689 9.213 -16.985 387 HB3 TRP 51 3HB TRP 51 11.603 7.982 -16.117 388 HD1 TRP 51 HD1 TRP 51 9.622 8.401 -13.433 389 HE1 TRP 51 HE1 TRP 51 7.362 7.171 -13.495 390 HE3 TRP 51 HE3 TRP 51 9.271 7.605 -18.470 391 HZ2 TRP 51 HZ2 TRP 51 5.657 6.015 -15.425 392 HZ3 TRP 51 HZ3 TRP 51 7.294 6.430 -19.344 393 HH2 TRP 51 HH2 TRP 51 5.526 5.651 -17.851 394 H ASP 52 H ASP 52 11.737 12.040 -16.215 395 HA ASP 52 HA ASP 52 14.242 11.612 -17.402 396 HB2 ASP 52 2HB ASP 52 12.425 13.880 -17.001 397 HB3 ASP 52 3HB ASP 52 14.123 14.340 -17.084 398 HA PRO 53 HA PRO 53 16.197 14.086 -13.752 399 HB2 PRO 53 2HB PRO 53 14.609 14.654 -11.624 400 HB3 PRO 53 3HB PRO 53 14.763 15.726 -13.022 401 HG2 PRO 53 2HG PRO 53 12.613 13.744 -12.382 402 HG3 PRO 53 3HG PRO 53 12.462 15.392 -13.018 403 HD2 PRO 53 2HD PRO 53 12.286 13.200 -14.597 404 HD3 PRO 53 3HD PRO 53 12.954 14.741 -15.173 405 H ILE 54 H ILE 54 13.823 11.607 -13.110 406 HA ILE 54 HA ILE 54 15.105 10.632 -10.728 407 HB ILE 54 HB ILE 54 12.940 9.456 -12.468 408 HG12 ILE 54 2HG1 ILE 54 12.791 10.531 -9.648 409 HG13 ILE 54 3HG1 ILE 54 12.450 11.506 -11.074 410 HG21 ILE 54 1HG2 ILE 54 12.735 8.065 -10.181 411 HG22 ILE 54 2HG2 ILE 54 13.646 7.503 -11.581 412 HG23 ILE 54 3HG2 ILE 54 14.483 8.288 -10.242 413 HD11 ILE 54 1HD1 ILE 54 10.641 10.007 -9.641 414 HD12 ILE 54 2HD1 ILE 54 10.400 10.677 -11.255 415 HD13 ILE 54 3HD1 ILE 54 10.966 9.018 -11.064 416 H THR 55 H THR 55 15.021 9.727 -14.139 417 HA THR 55 HA THR 55 16.554 7.343 -13.817 418 HB THR 55 HB THR 55 16.019 9.000 -16.290 419 HG1 THR 55 HG1 THR 55 14.121 8.097 -15.982 420 HG21 THR 55 1HG2 THR 55 17.600 6.541 -15.835 421 HG22 THR 55 2HG2 THR 55 17.761 7.778 -17.082 422 HG23 THR 55 3HG2 THR 55 16.520 6.534 -17.229 423 H ALA 56 H ALA 56 17.312 10.695 -14.587 424 HA ALA 56 HA ALA 56 20.034 10.246 -15.272 425 HB1 ALA 56 1HB ALA 56 19.982 12.396 -15.840 426 HB2 ALA 56 2HB ALA 56 18.285 12.400 -15.359 427 HB3 ALA 56 3HB ALA 56 19.529 12.887 -14.208 428 H ALA 57 H ALA 57 18.357 11.002 -12.270 429 HA ALA 57 HA ALA 57 20.696 11.501 -10.731 430 HB1 ALA 57 1HB ALA 57 18.456 12.314 -10.099 431 HB2 ALA 57 2HB ALA 57 17.968 10.651 -9.768 432 HB3 ALA 57 3HB ALA 57 19.238 11.406 -8.805 433 H LEU 58 H LEU 58 18.518 8.683 -10.913 434 HA LEU 58 HA LEU 58 19.956 7.023 -9.188 435 HB2 LEU 58 2HB LEU 58 18.231 6.301 -11.552 436 HB3 LEU 58 3HB LEU 58 18.795 5.158 -10.335 437 HG LEU 58 HG LEU 58 17.118 7.536 -9.594 438 HD11 LEU 58 1HD1 LEU 58 15.258 5.709 -9.587 439 HD12 LEU 58 2HD1 LEU 58 16.273 4.947 -10.811 440 HD13 LEU 58 3HD1 LEU 58 15.645 6.574 -11.075 441 HD21 LEU 58 1HD2 LEU 58 17.937 6.635 -7.651 442 HD22 LEU 58 2HD2 LEU 58 18.004 4.999 -8.307 443 HD23 LEU 58 3HD2 LEU 58 16.453 5.700 -7.842 444 H SER 59 H SER 59 20.364 7.699 -12.606 445 HA SER 59 HA SER 59 22.145 5.592 -13.200 446 HB2 SER 59 2HB SER 59 21.145 6.677 -15.051 447 HB3 SER 59 3HB SER 59 21.633 8.273 -14.482 448 HG SER 59 HG SER 59 22.984 7.588 -16.163 449 H GLN 60 H GLN 60 22.687 8.948 -12.190 450 HA GLN 60 HA GLN 60 25.533 8.736 -12.241 451 HB2 GLN 60 2HB GLN 60 24.611 10.912 -12.501 452 HB3 GLN 60 3HB GLN 60 23.638 10.751 -11.046 453 HG2 GLN 60 2HG GLN 60 25.267 11.536 -9.767 454 HG3 GLN 60 3HG GLN 60 26.446 10.430 -10.469 455 HE21 GLN 60 1HE2 GLN 60 27.421 11.062 -12.511 456 HE22 GLN 60 2HE2 GLN 60 27.667 12.739 -12.840 457 H ARG 61 H ARG 61 23.065 8.488 -9.726 458 HA ARG 61 HA ARG 61 24.632 8.436 -7.461 459 HB2 ARG 61 2HB ARG 61 22.165 8.387 -7.450 460 HB3 ARG 61 3HB ARG 61 22.204 6.721 -8.015 461 HG2 ARG 61 2HG ARG 61 23.224 5.990 -5.972 462 HG3 ARG 61 3HG ARG 61 23.402 7.656 -5.417 463 HD2 ARG 61 2HD ARG 61 20.962 7.899 -5.399 464 HD3 ARG 61 3HD ARG 61 20.796 6.227 -5.933 465 HE ARG 61 HE ARG 61 22.246 5.974 -3.684 466 HH11 ARG 61 1HH1 ARG 61 19.302 7.688 -4.399 467 HH12 ARG 61 2HH1 ARG 61 18.664 7.524 -2.796 468 HH21 ARG 61 1HH2 ARG 61 21.417 5.751 -1.571 469 HH22 ARG 61 2HH2 ARG 61 19.868 6.423 -1.188 470 H ALA 62 H ALA 62 23.791 5.706 -9.577 471 HA ALA 62 HA ALA 62 25.079 3.682 -8.169 472 HB1 ALA 62 1HB ALA 62 23.575 3.198 -9.996 473 HB2 ALA 62 2HB ALA 62 24.679 3.956 -11.145 474 HB3 ALA 62 3HB ALA 62 25.150 2.471 -10.318 475 H MET 63 H MET 63 26.392 6.245 -10.076 476 HA MET 63 HA MET 63 28.980 4.968 -10.381 477 HB2 MET 63 2HB MET 63 28.152 7.799 -11.040 478 HB3 MET 63 3HB MET 63 29.632 6.999 -11.552 479 HG2 MET 63 2HG MET 63 28.474 5.558 -13.006 480 HG3 MET 63 3HG MET 63 26.916 5.969 -12.294 481 HE1 MET 63 1HE MET 63 29.840 8.309 -13.098 482 HE2 MET 63 2HE MET 63 29.891 7.414 -14.617 483 HE3 MET 63 3HE MET 63 29.374 9.100 -14.604 484 H ILE 64 H ILE 64 27.641 7.794 -8.686 485 HA ILE 64 HA ILE 64 29.942 8.676 -7.424 486 HB ILE 64 HB ILE 64 27.178 8.689 -6.207 487 HG12 ILE 64 2HG1 ILE 64 27.037 9.624 -8.428 488 HG13 ILE 64 3HG1 ILE 64 26.991 10.945 -7.267 489 HG21 ILE 64 1HG2 ILE 64 27.942 10.643 -4.999 490 HG22 ILE 64 2HG2 ILE 64 29.015 9.281 -4.679 491 HG23 ILE 64 3HG2 ILE 64 29.512 10.553 -5.796 492 HD11 ILE 64 1HD1 ILE 64 28.386 11.483 -9.182 493 HD12 ILE 64 2HD1 ILE 64 29.341 11.411 -7.700 494 HD13 ILE 64 3HD1 ILE 64 29.397 10.077 -8.852 495 H LEU 65 H LEU 65 27.960 5.910 -6.725 496 HA LEU 65 HA LEU 65 29.551 5.377 -4.305 497 HB2 LEU 65 2HB LEU 65 26.738 4.900 -5.026 498 HB3 LEU 65 3HB LEU 65 27.535 3.574 -4.183 499 HG LEU 65 HG LEU 65 26.340 4.971 -2.612 500 HD11 LEU 65 1HD1 LEU 65 27.992 5.110 -1.015 501 HD12 LEU 65 2HD1 LEU 65 29.202 5.687 -2.160 502 HD13 LEU 65 3HD1 LEU 65 28.713 3.993 -2.174 503 HD21 LEU 65 1HD2 LEU 65 28.141 7.264 -3.327 504 HD22 LEU 65 2HD2 LEU 65 26.675 7.274 -2.346 505 HD23 LEU 65 3HD2 LEU 65 26.567 7.042 -4.092 506 H GLY 66 H GLY 66 27.824 3.486 -6.799 507 HA2 GLY 66 2HA GLY 66 29.149 2.094 -8.324 508 HA3 GLY 66 3HA GLY 66 30.217 1.761 -6.969 509 H LYS 67 H LYS 67 26.679 1.768 -7.002 510 HA LYS 67 HA LYS 67 26.764 -1.089 -6.283 511 HB2 LYS 67 2HB LYS 67 24.498 -0.579 -5.209 512 HB3 LYS 67 3HB LYS 67 25.929 0.043 -4.399 513 HG2 LYS 67 2HG LYS 67 25.525 2.235 -5.501 514 HG3 LYS 67 3HG LYS 67 24.010 1.583 -6.132 515 HD2 LYS 67 2HD LYS 67 23.184 1.231 -3.886 516 HD3 LYS 67 3HD LYS 67 24.729 1.745 -3.205 517 HE2 LYS 67 2HE LYS 67 24.286 3.937 -3.523 518 HE3 LYS 67 3HE LYS 67 23.443 3.654 -5.045 519 HZ1 LYS 67 1HZ LYS 67 22.387 3.874 -2.377 520 HZ2 LYS 67 2HZ LYS 67 21.783 2.545 -3.230 521 HZ3 LYS 67 3HZ LYS 67 21.619 4.104 -3.867 522 H SER 68 H SER 68 24.781 1.379 -7.905 523 HA SER 68 HA SER 68 23.287 1.253 -9.618 524 HB2 SER 68 2HB SER 68 25.559 -0.293 -10.356 525 HB3 SER 68 3HB SER 68 24.126 -1.142 -10.936 526 HG SER 68 HG SER 68 23.920 0.327 -12.411 527 H GLY 69 H GLY 69 22.791 -0.271 -7.110 528 HA2 GLY 69 2HA GLY 69 21.490 -2.713 -7.735 529 HA3 GLY 69 3HA GLY 69 21.278 -1.778 -6.262 530 H GLU 70 H GLU 70 19.921 0.265 -6.571 531 HA GLU 70 HA GLU 70 17.341 -0.418 -7.270 532 HB2 GLU 70 2HB GLU 70 18.751 2.176 -6.843 533 HB3 GLU 70 3HB GLU 70 17.134 2.214 -7.532 534 HG2 GLU 70 2HG GLU 70 16.642 2.395 -5.317 535 HG3 GLU 70 3HG GLU 70 16.573 0.644 -5.512 536 H LEU 71 H LEU 71 19.853 1.050 -9.247 537 HA LEU 71 HA LEU 71 18.372 1.862 -11.440 538 HB2 LEU 71 2HB LEU 71 21.164 1.027 -10.973 539 HB3 LEU 71 3HB LEU 71 20.612 0.985 -12.647 540 HG LEU 71 HG LEU 71 20.617 3.402 -10.840 541 HD11 LEU 71 1HD1 LEU 71 22.177 3.381 -13.325 542 HD12 LEU 71 2HD1 LEU 71 22.760 2.288 -12.070 543 HD13 LEU 71 3HD1 LEU 71 22.586 4.009 -11.728 544 HD21 LEU 71 1HD2 LEU 71 19.276 2.816 -13.364 545 HD22 LEU 71 2HD2 LEU 71 20.282 4.264 -13.420 546 HD23 LEU 71 3HD2 LEU 71 19.005 4.122 -12.211 547 H LYS 72 H LYS 72 19.675 -1.344 -10.694 548 HA LYS 72 HA LYS 72 19.033 -2.635 -13.077 549 HB2 LYS 72 2HB LYS 72 19.914 -3.378 -10.465 550 HB3 LYS 72 3HB LYS 72 18.601 -4.452 -10.930 551 HG2 LYS 72 2HG LYS 72 21.134 -3.948 -12.478 552 HG3 LYS 72 3HG LYS 72 20.724 -5.404 -11.568 553 HD2 LYS 72 2HD LYS 72 18.569 -5.048 -13.272 554 HD3 LYS 72 3HD LYS 72 19.967 -4.616 -14.259 555 HE2 LYS 72 2HE LYS 72 21.030 -6.761 -13.557 556 HE3 LYS 72 3HE LYS 72 19.521 -7.191 -12.755 557 HZ1 LYS 72 1HZ LYS 72 18.596 -7.765 -14.680 558 HZ2 LYS 72 2HZ LYS 72 20.152 -7.725 -15.342 559 HZ3 LYS 72 3HZ LYS 72 19.141 -6.375 -15.476 560 H THR 73 H THR 73 17.003 -1.567 -10.496 561 HA THR 73 HA THR 73 14.748 -3.173 -11.434 562 HB THR 73 HB THR 73 14.686 -1.206 -9.151 563 HG1 THR 73 HG1 THR 73 16.372 -2.758 -8.814 564 HG21 THR 73 1HG2 THR 73 13.150 -3.695 -9.014 565 HG22 THR 73 2HG2 THR 73 12.689 -2.645 -10.354 566 HG23 THR 73 3HG2 THR 73 12.647 -2.034 -8.700 567 H TRP 74 H TRP 74 15.803 0.179 -11.161 568 HA TRP 74 HA TRP 74 13.400 1.392 -11.989 569 HB2 TRP 74 2HB TRP 74 15.241 2.621 -10.897 570 HB3 TRP 74 3HB TRP 74 16.235 2.395 -12.333 571 HD1 TRP 74 HD1 TRP 74 16.388 4.640 -13.540 572 HE1 TRP 74 HE1 TRP 74 14.741 6.512 -14.180 573 HE3 TRP 74 HE3 TRP 74 12.172 2.812 -11.299 574 HZ2 TRP 74 HZ2 TRP 74 12.015 7.131 -13.786 575 HZ3 TRP 74 HZ3 TRP 74 10.087 4.106 -11.477 576 HH2 TRP 74 HH2 TRP 74 10.012 6.220 -12.695 577 H GLY 75 H GLY 75 16.196 0.192 -13.790 578 HA2 GLY 75 2HA GLY 75 15.420 1.193 -16.319 579 HA3 GLY 75 3HA GLY 75 16.534 -0.136 -16.037 580 H LEU 76 H LEU 76 14.681 -1.813 -14.631 581 HA LEU 76 HA LEU 76 13.351 -2.967 -16.909 582 HB2 LEU 76 2HB LEU 76 13.699 -3.761 -14.042 583 HB3 LEU 76 3HB LEU 76 12.567 -4.620 -15.085 584 HG LEU 76 HG LEU 76 15.541 -4.371 -15.537 585 HD11 LEU 76 1HD1 LEU 76 15.507 -5.920 -13.883 586 HD12 LEU 76 2HD1 LEU 76 15.120 -6.985 -15.234 587 HD13 LEU 76 3HD1 LEU 76 13.833 -6.380 -14.193 588 HD21 LEU 76 1HD2 LEU 76 13.300 -5.464 -17.158 589 HD22 LEU 76 2HD2 LEU 76 14.840 -6.323 -17.168 590 HD23 LEU 76 3HD2 LEU 76 14.769 -4.634 -17.671 591 H VAL 77 H VAL 77 12.278 -1.804 -13.713 592 HA VAL 77 HA VAL 77 9.555 -2.108 -14.020 593 HB VAL 77 HB VAL 77 11.036 0.090 -12.573 594 HG11 VAL 77 1HG1 VAL 77 8.589 -0.292 -11.328 595 HG12 VAL 77 2HG1 VAL 77 9.056 1.082 -12.332 596 HG13 VAL 77 3HG1 VAL 77 8.204 -0.286 -13.048 597 HG21 VAL 77 1HG2 VAL 77 11.037 -2.575 -12.046 598 HG22 VAL 77 2HG2 VAL 77 11.263 -1.316 -10.833 599 HG23 VAL 77 3HG2 VAL 77 9.670 -2.031 -11.074 600 H LEU 78 H LEU 78 11.643 0.430 -15.262 601 HA LEU 78 HA LEU 78 9.490 2.094 -16.164 602 HB2 LEU 78 2HB LEU 78 11.876 2.798 -15.577 603 HB3 LEU 78 3HB LEU 78 12.320 2.179 -17.166 604 HG LEU 78 HG LEU 78 10.851 3.813 -18.226 605 HD11 LEU 78 1HD1 LEU 78 9.742 3.998 -15.614 606 HD12 LEU 78 2HD1 LEU 78 9.180 4.744 -17.109 607 HD13 LEU 78 3HD1 LEU 78 10.340 5.589 -16.084 608 HD21 LEU 78 1HD2 LEU 78 12.433 5.399 -18.171 609 HD22 LEU 78 2HD2 LEU 78 13.284 4.289 -17.096 610 HD23 LEU 78 3HD2 LEU 78 12.313 5.599 -16.423 611 H GLY 79 H GLY 79 11.438 -0.472 -17.527 612 HA2 GLY 79 2HA GLY 79 10.921 -0.063 -20.249 613 HA3 GLY 79 3HA GLY 79 11.289 -1.614 -19.511 614 H ALA 80 H ALA 80 8.876 -1.286 -17.733 615 HA ALA 80 HA ALA 80 6.971 -2.400 -19.638 616 HB1 ALA 80 1HB ALA 80 5.733 -3.141 -17.662 617 HB2 ALA 80 2HB ALA 80 7.418 -3.661 -17.603 618 HB3 ALA 80 3HB ALA 80 6.882 -2.294 -16.626 619 H LEU 81 H LEU 81 7.057 0.102 -17.108 620 HA LEU 81 HA LEU 81 4.462 1.090 -17.561 621 HB2 LEU 81 2HB LEU 81 6.821 2.656 -16.539 622 HB3 LEU 81 3HB LEU 81 5.114 2.989 -16.253 623 HG LEU 81 HG LEU 81 6.350 0.439 -15.280 624 HD11 LEU 81 1HD1 LEU 81 6.393 1.964 -13.069 625 HD12 LEU 81 2HD1 LEU 81 6.828 3.170 -14.280 626 HD13 LEU 81 3HD1 LEU 81 7.797 1.707 -14.106 627 HD21 LEU 81 1HD2 LEU 81 4.562 1.173 -13.438 628 HD22 LEU 81 2HD2 LEU 81 4.128 0.250 -14.877 629 HD23 LEU 81 3HD2 LEU 81 3.872 1.995 -14.838 630 H LYS 82 H LYS 82 7.621 2.206 -18.750 631 HA LYS 82 HA LYS 82 6.810 4.415 -20.196 632 HB2 LYS 82 2HB LYS 82 9.180 3.510 -19.780 633 HB3 LYS 82 3HB LYS 82 8.919 2.519 -21.209 634 HG2 LYS 82 2HG LYS 82 8.989 4.301 -22.633 635 HG3 LYS 82 3HG LYS 82 8.419 5.441 -21.411 636 HD2 LYS 82 2HD LYS 82 10.880 4.443 -20.483 637 HD3 LYS 82 3HD LYS 82 11.107 4.813 -22.194 638 HE2 LYS 82 2HE LYS 82 9.691 6.982 -21.297 639 HE3 LYS 82 3HE LYS 82 10.716 6.602 -19.914 640 HZ1 LYS 82 1HZ LYS 82 12.249 6.455 -22.267 641 HZ2 LYS 82 2HZ LYS 82 12.428 7.509 -20.956 642 HZ3 LYS 82 3HZ LYS 82 11.428 7.934 -22.252 643 H ALA 83 H ALA 83 6.453 1.033 -20.950 644 HA ALA 83 HA ALA 83 5.566 1.614 -23.669 645 HB1 ALA 83 1HB ALA 83 6.317 -0.852 -22.184 646 HB2 ALA 83 2HB ALA 83 5.230 -0.995 -23.566 647 HB3 ALA 83 3HB ALA 83 6.832 -0.288 -23.774 648 H ALA 84 H ALA 84 4.285 0.989 -20.535 649 HA ALA 84 HA ALA 84 1.793 -0.109 -21.150 650 HB1 ALA 84 1HB ALA 84 1.166 0.387 -18.975 651 HB2 ALA 84 2HB ALA 84 2.924 0.301 -18.860 652 HB3 ALA 84 3HB ALA 84 2.120 1.869 -18.930 653 H ARG 85 H ARG 85 2.488 3.322 -20.437 654 HA ARG 85 HA ARG 85 0.032 4.369 -21.125 655 HB2 ARG 85 2HB ARG 85 1.222 6.503 -21.522 656 HB3 ARG 85 3HB ARG 85 1.726 5.712 -20.035 657 HG2 ARG 85 2HG ARG 85 3.551 4.717 -21.753 658 HG3 ARG 85 3HG ARG 85 3.247 6.296 -22.480 659 HD2 ARG 85 2HD ARG 85 3.592 7.268 -20.162 660 HD3 ARG 85 3HD ARG 85 4.206 5.682 -19.696 661 HE ARG 85 HE ARG 85 6.133 6.109 -20.872 662 HH11 ARG 85 1HH1 ARG 85 3.721 8.489 -21.672 663 HH12 ARG 85 2HH1 ARG 85 4.824 9.504 -22.541 664 HH21 ARG 85 1HH2 ARG 85 7.594 7.438 -22.014 665 HH22 ARG 85 2HH2 ARG 85 7.026 8.905 -22.736 666 H GLU 86 H GLU 86 2.767 3.597 -23.216 667 HA GLU 86 HA GLU 86 1.269 4.488 -25.564 668 HB2 GLU 86 2HB GLU 86 4.073 3.375 -25.484 669 HB3 GLU 86 3HB GLU 86 3.318 4.279 -26.788 670 HG2 GLU 86 2HG GLU 86 3.095 6.097 -24.858 671 HG3 GLU 86 3HG GLU 86 4.507 5.231 -24.255 672 H GLU 87 H GLU 87 0.202 2.267 -24.246 673 HA GLU 87 HA GLU 87 1.027 -0.223 -25.207 674 HB2 GLU 87 2HB GLU 87 -1.312 -0.951 -24.725 675 HB3 GLU 87 3HB GLU 87 -0.543 -0.096 -23.395 676 HG2 GLU 87 2HG GLU 87 -2.253 1.295 -23.324 677 HG3 GLU 87 3HG GLU 87 -1.863 1.842 -24.954 Start of MODEL 4 1 H1 SER 1 H SER 1 2.610 0.426 1.512 2 HA SER 1 HA SER 1 1.787 0.550 -1.071 3 HB2 SER 1 2HB SER 1 4.316 0.778 -1.627 4 HB3 SER 1 3HB SER 1 3.584 1.950 -0.531 5 HG SER 1 HG SER 1 5.213 1.351 0.684 6 H GLU 2 H GLU 2 1.171 -2.043 -0.456 7 HA GLU 2 HA GLU 2 3.098 -3.751 -1.829 8 HB2 GLU 2 2HB GLU 2 1.720 -5.608 -1.092 9 HB3 GLU 2 3HB GLU 2 2.068 -4.548 0.266 10 HG2 GLU 2 2HG GLU 2 -0.199 -3.476 -0.225 11 HG3 GLU 2 3HG GLU 2 -0.506 -4.895 -1.226 12 H ALA 3 H ALA 3 -0.114 -2.401 -2.236 13 HA ALA 3 HA ALA 3 -0.969 -3.924 -4.425 14 HB1 ALA 3 1HB ALA 3 -2.653 -2.325 -4.730 15 HB2 ALA 3 2HB ALA 3 -2.304 -2.278 -3.001 16 HB3 ALA 3 3HB ALA 3 -1.663 -1.026 -4.064 17 H VAL 4 H VAL 4 0.867 -0.890 -4.299 18 HA VAL 4 HA VAL 4 0.983 -0.389 -7.048 19 HB VAL 4 HB VAL 4 1.644 1.307 -5.454 20 HG11 VAL 4 1HG1 VAL 4 3.715 1.153 -4.178 21 HG12 VAL 4 2HG1 VAL 4 2.622 -0.169 -3.762 22 HG13 VAL 4 3HG1 VAL 4 4.003 -0.464 -4.820 23 HG21 VAL 4 1HG2 VAL 4 4.273 1.009 -6.658 24 HG22 VAL 4 2HG2 VAL 4 2.966 0.722 -7.806 25 HG23 VAL 4 3HG2 VAL 4 3.043 2.245 -6.921 26 H ILE 5 H ILE 5 2.814 -2.568 -5.028 27 HA ILE 5 HA ILE 5 4.893 -3.067 -6.924 28 HB ILE 5 HB ILE 5 4.009 -4.729 -4.562 29 HG12 ILE 5 2HG1 ILE 5 6.224 -2.685 -4.831 30 HG13 ILE 5 3HG1 ILE 5 4.726 -2.465 -3.933 31 HG21 ILE 5 1HG2 ILE 5 6.544 -4.828 -6.191 32 HG22 ILE 5 2HG2 ILE 5 6.241 -5.744 -4.716 33 HG23 ILE 5 3HG2 ILE 5 5.273 -6.050 -6.158 34 HD11 ILE 5 1HD1 ILE 5 5.731 -3.273 -2.142 35 HD12 ILE 5 2HD1 ILE 5 5.912 -4.823 -2.964 36 HD13 ILE 5 3HD1 ILE 5 7.188 -3.611 -3.076 37 H LYS 6 H LYS 6 1.774 -4.499 -6.209 38 HA LYS 6 HA LYS 6 2.132 -6.841 -7.787 39 HB2 LYS 6 2HB LYS 6 -0.387 -5.463 -6.842 40 HB3 LYS 6 3HB LYS 6 -0.341 -7.050 -7.599 41 HG2 LYS 6 2HG LYS 6 1.188 -7.766 -5.725 42 HG3 LYS 6 3HG LYS 6 0.789 -6.238 -4.936 43 HD2 LYS 6 2HD LYS 6 -1.604 -7.562 -5.834 44 HD3 LYS 6 3HD LYS 6 -0.644 -8.644 -4.822 45 HE2 LYS 6 2HE LYS 6 -0.476 -6.402 -3.361 46 HE3 LYS 6 3HE LYS 6 -2.035 -6.124 -4.136 47 HZ1 LYS 6 1HZ LYS 6 -1.760 -8.788 -3.115 48 HZ2 LYS 6 2HZ LYS 6 -2.999 -7.663 -2.873 49 HZ3 LYS 6 3HZ LYS 6 -1.613 -7.615 -1.904 50 H VAL 7 H VAL 7 1.261 -3.569 -8.484 51 HA VAL 7 HA VAL 7 -0.014 -4.078 -10.993 52 HB VAL 7 HB VAL 7 1.258 -1.500 -10.067 53 HG11 VAL 7 1HG1 VAL 7 -0.333 -0.454 -11.601 54 HG12 VAL 7 2HG1 VAL 7 0.732 -1.576 -12.451 55 HG13 VAL 7 3HG1 VAL 7 -0.926 -2.046 -12.076 56 HG21 VAL 7 1HG2 VAL 7 -1.465 -1.266 -9.707 57 HG22 VAL 7 2HG2 VAL 7 -1.117 -2.897 -9.133 58 HG23 VAL 7 3HG2 VAL 7 -0.268 -1.517 -8.436 59 H ILE 8 H ILE 8 3.258 -3.246 -9.969 60 HA ILE 8 HA ILE 8 4.206 -3.123 -12.710 61 HB ILE 8 HB ILE 8 5.740 -2.933 -10.114 62 HG12 ILE 8 2HG1 ILE 8 4.808 -0.784 -12.031 63 HG13 ILE 8 3HG1 ILE 8 4.147 -1.090 -10.428 64 HG21 ILE 8 1HG2 ILE 8 7.152 -3.697 -11.937 65 HG22 ILE 8 2HG2 ILE 8 6.601 -2.361 -12.946 66 HG23 ILE 8 3HG2 ILE 8 7.557 -2.037 -11.500 67 HD11 ILE 8 1HD1 ILE 8 5.587 0.404 -9.663 68 HD12 ILE 8 2HD1 ILE 8 6.872 -0.751 -10.018 69 HD13 ILE 8 3HD1 ILE 8 6.432 0.473 -11.209 70 H SER 9 H SER 9 4.206 -5.341 -10.011 71 HA SER 9 HA SER 9 6.213 -7.095 -10.971 72 HB2 SER 9 2HB SER 9 5.664 -7.255 -8.665 73 HB3 SER 9 3HB SER 9 3.946 -7.449 -9.010 74 HG SER 9 HG SER 9 4.344 -9.494 -9.779 75 H SER 10 H SER 10 2.937 -6.582 -11.848 76 HA SER 10 HA SER 10 2.848 -9.138 -13.299 77 HB2 SER 10 2HB SER 10 0.933 -8.854 -11.869 78 HB3 SER 10 3HB SER 10 0.646 -7.228 -12.489 79 HG SER 10 HG SER 10 -0.431 -8.074 -14.073 80 H ALA 11 H ALA 11 2.951 -5.701 -13.672 81 HA ALA 11 HA ALA 11 2.158 -5.716 -16.446 82 HB1 ALA 11 1HB ALA 11 3.010 -3.296 -16.300 83 HB2 ALA 11 2HB ALA 11 1.587 -3.737 -15.356 84 HB3 ALA 11 3HB ALA 11 3.160 -3.604 -14.569 85 H CYS 12 H CYS 12 5.080 -6.073 -14.652 86 HA CYS 12 HA CYS 12 6.824 -5.368 -16.841 87 HB2 CYS 12 2HB CYS 12 7.203 -6.366 -14.047 88 HB3 CYS 12 3HB CYS 12 8.526 -6.533 -15.194 89 HG CYS 12 HG CYS 12 8.749 -4.232 -13.459 90 H LYS 13 H LYS 13 5.646 -8.320 -15.307 91 HA LYS 13 HA LYS 13 7.256 -10.156 -16.685 92 HB2 LYS 13 2HB LYS 13 5.380 -11.780 -16.178 93 HB3 LYS 13 3HB LYS 13 6.059 -10.937 -14.792 94 HG2 LYS 13 2HG LYS 13 4.183 -9.431 -14.728 95 HG3 LYS 13 3HG LYS 13 3.525 -10.135 -16.207 96 HD2 LYS 13 2HD LYS 13 3.768 -12.350 -14.684 97 HD3 LYS 13 3HD LYS 13 3.468 -11.140 -13.433 98 HE2 LYS 13 2HE LYS 13 1.537 -10.390 -15.011 99 HE3 LYS 13 3HE LYS 13 1.721 -12.001 -15.703 100 HZ1 LYS 13 1HZ LYS 13 0.162 -11.444 -13.611 101 HZ2 LYS 13 2HZ LYS 13 1.579 -11.902 -12.811 102 HZ3 LYS 13 3HZ LYS 13 0.839 -12.968 -13.897 103 H THR 14 H THR 14 4.219 -8.605 -17.549 104 HA THR 14 HA THR 14 3.834 -10.183 -19.920 105 HB THR 14 HB THR 14 2.500 -7.647 -18.961 106 HG1 THR 14 HG1 THR 14 1.793 -9.330 -17.744 107 HG21 THR 14 1HG2 THR 14 2.459 -8.914 -21.571 108 HG22 THR 14 2HG2 THR 14 1.782 -7.368 -21.059 109 HG23 THR 14 3HG2 THR 14 0.854 -8.852 -20.844 110 H TYR 15 H TYR 15 4.904 -6.866 -19.235 111 HA TYR 15 HA TYR 15 5.374 -6.243 -21.988 112 HB2 TYR 15 2HB TYR 15 6.058 -4.878 -19.393 113 HB3 TYR 15 3HB TYR 15 6.635 -4.260 -20.937 114 HD1 TYR 15 HD1 TYR 15 3.379 -5.564 -19.622 115 HD2 TYR 15 HD2 TYR 15 5.418 -2.474 -21.719 116 HE1 TYR 15 HE1 TYR 15 1.247 -4.379 -19.937 117 HE2 TYR 15 HE2 TYR 15 3.292 -1.280 -22.038 118 HH TYR 15 HH TYR 15 0.884 -1.793 -22.094 119 H CYS 16 H CYS 16 7.756 -6.122 -19.352 120 HA CYS 16 HA CYS 16 10.010 -6.372 -20.923 121 HB2 CYS 16 2HB CYS 16 9.679 -7.433 -18.109 122 HB3 CYS 16 3HB CYS 16 11.199 -7.021 -18.895 123 HG CYS 16 HG CYS 16 9.759 -4.286 -19.214 124 H GLY 17 H GLY 17 7.807 -8.838 -19.837 125 HA2 GLY 17 2HA GLY 17 7.562 -10.967 -20.763 126 HA3 GLY 17 3HA GLY 17 9.097 -10.757 -21.593 127 H LYS 18 H LYS 18 10.495 -12.256 -20.981 128 HA LYS 18 HA LYS 18 10.340 -13.385 -18.298 129 HB2 LYS 18 2HB LYS 18 10.596 -14.745 -20.471 130 HB3 LYS 18 3HB LYS 18 12.273 -14.214 -20.451 131 HG2 LYS 18 2HG LYS 18 12.068 -15.144 -17.944 132 HG3 LYS 18 3HG LYS 18 10.882 -16.175 -18.746 133 HD2 LYS 18 2HD LYS 18 13.360 -15.892 -20.257 134 HD3 LYS 18 3HD LYS 18 13.601 -16.603 -18.659 135 HE2 LYS 18 2HE LYS 18 12.644 -18.527 -19.267 136 HE3 LYS 18 3HE LYS 18 11.284 -17.701 -20.025 137 HZ1 LYS 18 1HZ LYS 18 12.194 -18.570 -21.876 138 HZ2 LYS 18 2HZ LYS 18 13.745 -18.693 -21.211 139 HZ3 LYS 18 3HZ LYS 18 13.192 -17.206 -21.799 140 H THR 19 H THR 19 11.164 -10.763 -18.247 141 HA THR 19 HA THR 19 13.845 -11.060 -17.153 142 HB THR 19 HB THR 19 13.983 -8.582 -18.447 143 HG1 THR 19 HG1 THR 19 13.623 -9.191 -20.642 144 HG21 THR 19 1HG2 THR 19 15.311 -11.225 -18.646 145 HG22 THR 19 2HG2 THR 19 15.997 -9.635 -18.313 146 HG23 THR 19 3HG2 THR 19 15.586 -10.090 -19.966 147 H SER 20 H SER 20 10.935 -10.393 -16.401 148 HA SER 20 HA SER 20 10.748 -7.749 -15.535 149 HB2 SER 20 2HB SER 20 9.191 -8.832 -13.732 150 HB3 SER 20 3HB SER 20 8.735 -8.916 -15.433 151 HG SER 20 HG SER 20 9.702 -10.930 -13.741 152 HA PRO 21 HA PRO 21 13.387 -7.346 -12.054 153 HB2 PRO 21 2HB PRO 21 11.901 -5.797 -10.392 154 HB3 PRO 21 3HB PRO 21 12.644 -5.180 -11.872 155 HG2 PRO 21 2HG PRO 21 9.821 -6.049 -11.391 156 HG3 PRO 21 3HG PRO 21 10.420 -4.636 -12.278 157 HD2 PRO 21 2HD PRO 21 9.588 -6.891 -13.523 158 HD3 PRO 21 3HD PRO 21 10.881 -5.863 -14.173 159 H SER 22 H SER 22 13.443 -7.561 -9.606 160 HA SER 22 HA SER 22 11.923 -9.954 -8.867 161 HB2 SER 22 2HB SER 22 14.626 -9.213 -8.546 162 HB3 SER 22 3HB SER 22 13.923 -9.216 -6.928 163 HG SER 22 HG SER 22 13.995 -11.332 -8.808 164 H LYS 23 H LYS 23 10.681 -10.080 -7.033 165 HA LYS 23 HA LYS 23 9.271 -7.866 -6.183 166 HB2 LYS 23 2HB LYS 23 9.365 -10.631 -5.541 167 HB3 LYS 23 3HB LYS 23 9.384 -9.740 -4.025 168 HG2 LYS 23 2HG LYS 23 7.372 -8.514 -4.759 169 HG3 LYS 23 3HG LYS 23 7.334 -9.507 -6.217 170 HD2 LYS 23 2HD LYS 23 7.361 -10.761 -3.493 171 HD3 LYS 23 3HD LYS 23 5.855 -10.191 -4.216 172 HE2 LYS 23 2HE LYS 23 5.715 -12.080 -5.374 173 HE3 LYS 23 3HE LYS 23 7.227 -11.681 -6.189 174 HZ1 LYS 23 1HZ LYS 23 8.217 -13.328 -5.121 175 HZ2 LYS 23 2HZ LYS 23 6.751 -13.751 -4.390 176 HZ3 LYS 23 3HZ LYS 23 7.798 -12.668 -3.620 177 H LYS 24 H LYS 24 12.119 -9.361 -4.700 178 HA LYS 24 HA LYS 24 12.214 -7.662 -2.440 179 HB2 LYS 24 2HB LYS 24 13.383 -9.838 -2.577 180 HB3 LYS 24 3HB LYS 24 14.476 -9.160 -3.777 181 HG2 LYS 24 2HG LYS 24 15.547 -9.195 -1.622 182 HG3 LYS 24 3HG LYS 24 15.253 -7.524 -2.111 183 HD2 LYS 24 2HD LYS 24 13.245 -7.480 -0.693 184 HD3 LYS 24 3HD LYS 24 13.577 -9.138 -0.187 185 HE2 LYS 24 2HE LYS 24 15.422 -8.524 1.062 186 HE3 LYS 24 3HE LYS 24 15.677 -7.040 0.145 187 HZ1 LYS 24 1HZ LYS 24 13.228 -7.324 1.738 188 HZ2 LYS 24 2HZ LYS 24 14.087 -5.926 1.329 189 HZ3 LYS 24 3HZ LYS 24 14.677 -6.960 2.531 190 H GLU 25 H GLU 25 13.311 -7.326 -5.721 191 HA GLU 25 HA GLU 25 15.102 -5.147 -5.215 192 HB2 GLU 25 2HB GLU 25 14.060 -6.569 -7.595 193 HB3 GLU 25 3HB GLU 25 14.558 -4.902 -7.847 194 HG2 GLU 25 2HG GLU 25 16.767 -5.408 -6.977 195 HG3 GLU 25 3HG GLU 25 16.275 -7.071 -6.661 196 H ILE 26 H ILE 26 11.792 -5.432 -6.460 197 HA ILE 26 HA ILE 26 11.291 -2.787 -7.084 198 HB ILE 26 HB ILE 26 9.352 -4.751 -5.856 199 HG12 ILE 26 2HG1 ILE 26 9.816 -4.104 -8.772 200 HG13 ILE 26 3HG1 ILE 26 10.527 -5.492 -7.955 201 HG21 ILE 26 1HG2 ILE 26 8.462 -2.529 -5.708 202 HG22 ILE 26 2HG2 ILE 26 8.899 -2.194 -7.383 203 HG23 ILE 26 3HG2 ILE 26 7.639 -3.373 -7.020 204 HD11 ILE 26 1HD1 ILE 26 7.734 -5.011 -8.804 205 HD12 ILE 26 2HD1 ILE 26 8.702 -6.485 -8.854 206 HD13 ILE 26 3HD1 ILE 26 7.995 -5.945 -7.332 207 H GLY 27 H GLY 27 11.151 -4.392 -3.938 208 HA2 GLY 27 2HA GLY 27 10.081 -2.137 -2.548 209 HA3 GLY 27 3HA GLY 27 10.815 -3.556 -1.817 210 H ALA 28 H ALA 28 13.248 -3.008 -3.583 211 HA ALA 28 HA ALA 28 14.522 -1.186 -1.690 212 HB1 ALA 28 1HB ALA 28 16.291 -2.510 -1.889 213 HB2 ALA 28 2HB ALA 28 15.338 -3.554 -2.944 214 HB3 ALA 28 3HB ALA 28 16.331 -2.271 -3.637 215 H MET 29 H MET 29 12.948 -0.869 -4.532 216 HA MET 29 HA MET 29 14.737 1.255 -5.511 217 HB2 MET 29 2HB MET 29 14.316 -0.504 -7.157 218 HB3 MET 29 3HB MET 29 12.581 -0.271 -6.983 219 HG2 MET 29 2HG MET 29 13.061 2.155 -7.704 220 HG3 MET 29 3HG MET 29 14.600 1.514 -8.272 221 HE1 MET 29 1HE MET 29 10.463 0.635 -9.011 222 HE2 MET 29 2HE MET 29 11.172 2.210 -8.657 223 HE3 MET 29 3HE MET 29 10.783 1.772 -10.321 224 H LEU 30 H LEU 30 11.269 0.469 -5.224 225 HA LEU 30 HA LEU 30 10.219 2.973 -5.709 226 HB2 LEU 30 2HB LEU 30 9.341 0.575 -4.234 227 HB3 LEU 30 3HB LEU 30 8.507 2.074 -3.828 228 HG LEU 30 HG LEU 30 7.261 0.834 -5.493 229 HD11 LEU 30 1HD1 LEU 30 8.201 2.894 -7.301 230 HD12 LEU 30 2HD1 LEU 30 7.986 3.497 -5.658 231 HD13 LEU 30 3HD1 LEU 30 6.642 2.720 -6.494 232 HD21 LEU 30 1HD2 LEU 30 8.178 0.425 -7.722 233 HD22 LEU 30 2HD2 LEU 30 9.103 -0.421 -6.481 234 HD23 LEU 30 3HD2 LEU 30 9.738 1.060 -7.199 235 H SER 31 H SER 31 11.252 1.617 -2.589 236 HA SER 31 HA SER 31 10.603 3.863 -1.029 237 HB2 SER 31 2HB SER 31 11.007 2.104 0.364 238 HB3 SER 31 3HB SER 31 12.253 1.426 -0.683 239 HG SER 31 HG SER 31 13.733 2.533 0.347 240 H LEU 32 H LEU 32 13.598 2.933 -2.673 241 HA LEU 32 HA LEU 32 15.307 4.884 -1.727 242 HB2 LEU 32 2HB LEU 32 15.831 2.959 -3.274 243 HB3 LEU 32 3HB LEU 32 15.225 3.962 -4.591 244 HG LEU 32 HG LEU 32 17.739 3.866 -4.291 245 HD11 LEU 32 1HD1 LEU 32 17.924 5.898 -5.266 246 HD12 LEU 32 2HD1 LEU 32 16.950 6.703 -4.036 247 HD13 LEU 32 3HD1 LEU 32 16.165 5.771 -5.311 248 HD21 LEU 32 1HD2 LEU 32 18.722 5.257 -2.580 249 HD22 LEU 32 2HD2 LEU 32 17.716 4.019 -1.827 250 HD23 LEU 32 3HD2 LEU 32 17.126 5.677 -1.958 251 H LEU 33 H LEU 33 13.244 5.076 -4.629 252 HA LEU 33 HA LEU 33 13.848 7.647 -5.424 253 HB2 LEU 33 2HB LEU 33 11.112 6.389 -5.515 254 HB3 LEU 33 3HB LEU 33 11.714 7.685 -6.548 255 HG LEU 33 HG LEU 33 12.919 4.927 -6.541 256 HD11 LEU 33 1HD1 LEU 33 10.913 5.901 -8.547 257 HD12 LEU 33 2HD1 LEU 33 10.429 5.003 -7.109 258 HD13 LEU 33 3HD1 LEU 33 11.514 4.263 -8.286 259 HD21 LEU 33 1HD2 LEU 33 14.291 6.722 -7.469 260 HD22 LEU 33 2HD2 LEU 33 12.970 7.184 -8.542 261 HD23 LEU 33 3HD2 LEU 33 13.751 5.614 -8.731 262 H GLN 34 H GLN 34 11.508 6.587 -2.993 263 HA GLN 34 HA GLN 34 10.344 9.081 -2.467 264 HB2 GLN 34 2HB GLN 34 10.750 6.739 -0.599 265 HB3 GLN 34 3HB GLN 34 9.666 8.093 -0.305 266 HG2 GLN 34 2HG GLN 34 8.327 7.483 -2.222 267 HG3 GLN 34 3HG GLN 34 9.445 6.178 -2.616 268 HE21 GLN 34 1HE2 GLN 34 7.223 7.345 -0.141 269 HE22 GLN 34 2HE2 GLN 34 6.806 5.787 0.477 270 H LYS 35 H LYS 35 12.806 7.388 -0.514 271 HA LYS 35 HA LYS 35 13.414 9.481 1.198 272 HB2 LYS 35 2HB LYS 35 15.283 7.341 0.161 273 HB3 LYS 35 3HB LYS 35 15.559 8.332 1.588 274 HG2 LYS 35 2HG LYS 35 14.210 7.086 2.865 275 HG3 LYS 35 3HG LYS 35 13.002 6.909 1.590 276 HD2 LYS 35 2HD LYS 35 13.799 4.738 1.908 277 HD3 LYS 35 3HD LYS 35 14.691 5.309 0.495 278 HE2 LYS 35 2HE LYS 35 16.646 5.099 1.544 279 HE3 LYS 35 3HE LYS 35 16.058 5.970 2.959 280 HZ1 LYS 35 1HZ LYS 35 16.773 3.550 3.243 281 HZ2 LYS 35 2HZ LYS 35 15.311 3.153 2.491 282 HZ3 LYS 35 3HZ LYS 35 15.306 4.023 3.942 283 H GLU 36 H GLU 36 14.815 8.700 -1.961 284 HA GLU 36 HA GLU 36 16.839 10.626 -1.988 285 HB2 GLU 36 2HB GLU 36 15.522 8.895 -3.919 286 HB3 GLU 36 3HB GLU 36 15.971 10.441 -4.626 287 HG2 GLU 36 2HG GLU 36 17.653 8.534 -4.767 288 HG3 GLU 36 3HG GLU 36 18.238 10.107 -4.227 289 H GLY 37 H GLY 37 13.427 10.958 -2.275 290 HA2 GLY 37 2HA GLY 37 12.264 12.989 -2.086 291 HA3 GLY 37 3HA GLY 37 13.736 13.847 -2.517 292 H LEU 38 H LEU 38 12.740 11.160 -4.454 293 HA LEU 38 HA LEU 38 12.396 12.918 -6.728 294 HB2 LEU 38 2HB LEU 38 12.289 9.916 -6.489 295 HB3 LEU 38 3HB LEU 38 12.182 10.809 -8.005 296 HG LEU 38 HG LEU 38 14.572 10.789 -6.161 297 HD11 LEU 38 1HD1 LEU 38 14.814 8.732 -7.054 298 HD12 LEU 38 2HD1 LEU 38 15.420 9.642 -8.436 299 HD13 LEU 38 3HD1 LEU 38 13.750 9.076 -8.417 300 HD21 LEU 38 1HD2 LEU 38 15.111 12.651 -7.261 301 HD22 LEU 38 2HD2 LEU 38 13.801 12.440 -8.424 302 HD23 LEU 38 3HD2 LEU 38 15.345 11.623 -8.676 303 H LEU 39 H LEU 39 10.448 10.502 -4.994 304 HA LEU 39 HA LEU 39 8.039 11.859 -5.987 305 HB2 LEU 39 2HB LEU 39 7.023 9.466 -5.936 306 HB3 LEU 39 3HB LEU 39 7.946 10.007 -7.336 307 HG LEU 39 HG LEU 39 9.936 8.813 -6.298 308 HD11 LEU 39 1HD1 LEU 39 7.730 7.865 -4.504 309 HD12 LEU 39 2HD1 LEU 39 9.332 8.464 -4.075 310 HD13 LEU 39 3HD1 LEU 39 9.155 6.873 -4.816 311 HD21 LEU 39 1HD2 LEU 39 8.005 6.685 -6.825 312 HD22 LEU 39 2HD2 LEU 39 9.489 7.110 -7.679 313 HD23 LEU 39 3HD2 LEU 39 7.991 7.975 -8.028 314 H MET 40 H MET 40 6.181 11.666 -4.630 315 HA MET 40 HA MET 40 6.865 11.585 -1.831 316 HB2 MET 40 2HB MET 40 4.559 12.476 -3.456 317 HB3 MET 40 3HB MET 40 4.183 11.924 -1.829 318 HG2 MET 40 2HG MET 40 6.317 13.960 -2.365 319 HG3 MET 40 3HG MET 40 4.624 14.403 -2.159 320 HE1 MET 40 1HE MET 40 7.929 13.398 -0.509 321 HE2 MET 40 2HE MET 40 7.465 15.096 -0.405 322 HE3 MET 40 3HE MET 40 7.604 14.128 1.064 323 H SER 41 H SER 41 5.299 9.515 -4.140 324 HA SER 41 HA SER 41 5.116 7.425 -2.114 325 HB2 SER 41 2HB SER 41 2.830 8.837 -3.078 326 HB3 SER 41 3HB SER 41 2.767 7.192 -3.710 327 HG SER 41 HG SER 41 2.132 6.631 -1.799 328 HA PRO 42 HA PRO 42 6.462 4.746 -5.315 329 HB2 PRO 42 2HB PRO 42 5.111 2.454 -4.775 330 HB3 PRO 42 3HB PRO 42 6.442 3.043 -3.773 331 HG2 PRO 42 2HG PRO 42 3.490 3.293 -3.341 332 HG3 PRO 42 3HG PRO 42 4.762 2.895 -2.171 333 HD2 PRO 42 2HD PRO 42 3.685 5.372 -2.366 334 HD3 PRO 42 3HD PRO 42 5.376 5.100 -1.899 335 H SER 43 H SER 43 3.146 5.572 -5.068 336 HA SER 43 HA SER 43 2.284 4.143 -7.416 337 HB2 SER 43 2HB SER 43 0.372 6.078 -6.953 338 HB3 SER 43 3HB SER 43 0.368 4.453 -6.266 339 HG SER 43 HG SER 43 0.905 6.882 -5.071 340 H ASP 44 H ASP 44 4.100 6.886 -6.914 341 HA ASP 44 HA ASP 44 3.113 8.595 -8.952 342 HB2 ASP 44 2HB ASP 44 4.880 8.942 -6.956 343 HB3 ASP 44 3HB ASP 44 6.005 8.673 -8.286 344 H LEU 45 H LEU 45 4.716 5.642 -9.088 345 HA LEU 45 HA LEU 45 6.408 5.938 -11.297 346 HB2 LEU 45 2HB LEU 45 5.414 3.822 -9.692 347 HB3 LEU 45 3HB LEU 45 5.178 3.373 -11.380 348 HG LEU 45 HG LEU 45 7.260 2.467 -10.698 349 HD11 LEU 45 1HD1 LEU 45 8.328 3.081 -12.552 350 HD12 LEU 45 2HD1 LEU 45 8.508 4.744 -11.994 351 HD13 LEU 45 3HD1 LEU 45 7.023 4.240 -12.800 352 HD21 LEU 45 1HD2 LEU 45 8.768 3.439 -9.323 353 HD22 LEU 45 2HD2 LEU 45 7.362 4.379 -8.823 354 HD23 LEU 45 3HD2 LEU 45 8.504 5.050 -9.988 355 H TYR 46 H TYR 46 2.998 5.976 -11.087 356 HA TYR 46 HA TYR 46 2.562 5.221 -13.852 357 HB2 TYR 46 2HB TYR 46 0.565 6.375 -11.901 358 HB3 TYR 46 3HB TYR 46 0.218 5.501 -13.388 359 HD1 TYR 46 HD1 TYR 46 2.036 3.201 -13.184 360 HD2 TYR 46 HD2 TYR 46 -0.348 5.076 -10.199 361 HE1 TYR 46 HE1 TYR 46 1.958 1.088 -11.927 362 HE2 TYR 46 HE2 TYR 46 -0.432 2.968 -8.934 363 HH TYR 46 HH TYR 46 0.904 0.892 -8.725 364 H SER 47 H SER 47 3.931 7.811 -12.649 365 HA SER 47 HA SER 47 2.471 9.736 -14.331 366 HB2 SER 47 2HB SER 47 2.720 10.321 -11.916 367 HB3 SER 47 3HB SER 47 4.469 10.327 -12.135 368 HG SER 47 HG SER 47 3.902 12.400 -12.442 369 HA PRO 48 HA PRO 48 6.236 8.885 -16.796 370 HB2 PRO 48 2HB PRO 48 5.032 9.376 -19.179 371 HB3 PRO 48 3HB PRO 48 4.940 7.812 -18.360 372 HG2 PRO 48 2HG PRO 48 2.940 10.039 -18.422 373 HG3 PRO 48 3HG PRO 48 2.674 8.292 -18.574 374 HD2 PRO 48 2HD PRO 48 2.242 9.636 -16.263 375 HD3 PRO 48 3HD PRO 48 2.794 7.949 -16.298 376 H GLY 49 H GLY 49 7.156 10.825 -15.878 377 HA2 GLY 49 2HA GLY 49 7.540 12.884 -17.776 378 HA3 GLY 49 3HA GLY 49 6.425 13.437 -16.535 379 H SER 50 H SER 50 7.686 11.874 -14.419 380 HA SER 50 HA SER 50 9.871 13.717 -13.864 381 HB2 SER 50 2HB SER 50 8.162 11.897 -12.217 382 HB3 SER 50 3HB SER 50 9.738 12.381 -11.588 383 HG SER 50 HG SER 50 7.682 14.140 -12.453 384 H TRP 51 H TRP 51 9.691 10.925 -15.458 385 HA TRP 51 HA TRP 51 11.714 9.342 -14.240 386 HB2 TRP 51 2HB TRP 51 10.688 9.356 -17.087 387 HB3 TRP 51 3HB TRP 51 11.732 8.117 -16.395 388 HD1 TRP 51 HD1 TRP 51 9.929 8.263 -13.541 389 HE1 TRP 51 HE1 TRP 51 7.749 6.894 -13.527 390 HE3 TRP 51 HE3 TRP 51 9.280 7.719 -18.582 391 HZ2 TRP 51 HZ2 TRP 51 5.989 5.736 -15.404 392 HZ3 TRP 51 HZ3 TRP 51 7.323 6.466 -19.391 393 HH2 TRP 51 HH2 TRP 51 5.713 5.495 -17.833 394 H ASP 52 H ASP 52 11.763 12.120 -16.264 395 HA ASP 52 HA ASP 52 14.237 11.807 -17.544 396 HB2 ASP 52 2HB ASP 52 12.376 14.005 -16.998 397 HB3 ASP 52 3HB ASP 52 14.057 14.518 -17.105 398 HA PRO 53 HA PRO 53 16.258 14.186 -13.867 399 HB2 PRO 53 2HB PRO 53 14.728 14.646 -11.671 400 HB3 PRO 53 3HB PRO 53 14.815 15.769 -13.033 401 HG2 PRO 53 2HG PRO 53 12.727 13.720 -12.398 402 HG3 PRO 53 3HG PRO 53 12.522 15.386 -12.969 403 HD2 PRO 53 2HD PRO 53 12.340 13.248 -14.620 404 HD3 PRO 53 3HD PRO 53 12.957 14.822 -15.161 405 H ILE 54 H ILE 54 13.934 11.655 -13.206 406 HA ILE 54 HA ILE 54 15.316 10.620 -10.912 407 HB ILE 54 HB ILE 54 13.119 9.471 -12.629 408 HG12 ILE 54 2HG1 ILE 54 13.045 10.389 -9.752 409 HG13 ILE 54 3HG1 ILE 54 12.655 11.442 -11.107 410 HG21 ILE 54 1HG2 ILE 54 12.932 7.865 -10.601 411 HG22 ILE 54 2HG2 ILE 54 14.124 7.537 -11.858 412 HG23 ILE 54 3HG2 ILE 54 14.626 8.280 -10.339 413 HD11 ILE 54 1HD1 ILE 54 10.627 10.549 -11.362 414 HD12 ILE 54 2HD1 ILE 54 11.210 8.903 -11.113 415 HD13 ILE 54 3HD1 ILE 54 10.868 9.938 -9.726 416 H THR 55 H THR 55 15.109 9.777 -14.341 417 HA THR 55 HA THR 55 16.702 7.432 -14.154 418 HB THR 55 HB THR 55 16.086 9.187 -16.539 419 HG1 THR 55 HG1 THR 55 14.237 8.180 -16.395 420 HG21 THR 55 1HG2 THR 55 16.625 6.712 -17.539 421 HG22 THR 55 2HG2 THR 55 17.801 6.821 -16.228 422 HG23 THR 55 3HG2 THR 55 17.777 8.046 -17.496 423 H ALA 56 H ALA 56 17.408 10.818 -14.852 424 HA ALA 56 HA ALA 56 20.146 10.381 -15.531 425 HB1 ALA 56 1HB ALA 56 20.322 12.867 -15.251 426 HB2 ALA 56 2HB ALA 56 19.090 12.331 -16.394 427 HB3 ALA 56 3HB ALA 56 18.622 12.867 -14.780 428 H ALA 57 H ALA 57 18.401 11.006 -12.568 429 HA ALA 57 HA ALA 57 20.717 11.651 -11.009 430 HB1 ALA 57 1HB ALA 57 18.989 11.070 -9.109 431 HB2 ALA 57 2HB ALA 57 18.851 12.558 -10.047 432 HB3 ALA 57 3HB ALA 57 17.837 11.170 -10.440 433 H LEU 58 H LEU 58 18.552 8.814 -11.081 434 HA LEU 58 HA LEU 58 19.949 7.200 -9.322 435 HB2 LEU 58 2HB LEU 58 18.365 6.433 -11.766 436 HB3 LEU 58 3HB LEU 58 18.918 5.289 -10.546 437 HG LEU 58 HG LEU 58 17.142 7.601 -9.830 438 HD11 LEU 58 1HD1 LEU 58 16.338 4.905 -10.901 439 HD12 LEU 58 2HD1 LEU 58 15.922 6.492 -11.547 440 HD13 LEU 58 3HD1 LEU 58 15.254 5.967 -10.002 441 HD21 LEU 58 1HD2 LEU 58 18.175 6.522 -7.965 442 HD22 LEU 58 2HD2 LEU 58 17.760 4.925 -8.589 443 HD23 LEU 58 3HD2 LEU 58 16.488 6.008 -8.022 444 H SER 59 H SER 59 20.520 7.795 -12.738 445 HA SER 59 HA SER 59 22.389 5.741 -13.189 446 HB2 SER 59 2HB SER 59 21.793 6.606 -15.208 447 HB3 SER 59 3HB SER 59 21.574 8.232 -14.562 448 HG SER 59 HG SER 59 23.877 6.995 -15.548 449 H GLN 60 H GLN 60 22.847 9.152 -12.298 450 HA GLN 60 HA GLN 60 25.677 8.983 -12.140 451 HB2 GLN 60 2HB GLN 60 24.736 11.137 -12.475 452 HB3 GLN 60 3HB GLN 60 23.676 10.971 -11.082 453 HG2 GLN 60 2HG GLN 60 25.209 11.786 -9.704 454 HG3 GLN 60 3HG GLN 60 26.457 10.716 -10.340 455 HE21 GLN 60 1HE2 GLN 60 24.892 13.815 -10.675 456 HE22 GLN 60 2HE2 GLN 60 26.126 14.558 -11.628 457 H ARG 61 H ARG 61 23.077 8.686 -9.771 458 HA ARG 61 HA ARG 61 24.507 8.702 -7.416 459 HB2 ARG 61 2HB ARG 61 22.060 8.585 -7.513 460 HB3 ARG 61 3HB ARG 61 22.156 6.938 -8.121 461 HG2 ARG 61 2HG ARG 61 23.091 6.168 -6.046 462 HG3 ARG 61 3HG ARG 61 23.191 7.821 -5.436 463 HD2 ARG 61 2HD ARG 61 20.766 8.009 -5.499 464 HD3 ARG 61 3HD ARG 61 20.643 6.383 -6.170 465 HE ARG 61 HE ARG 61 20.841 5.563 -4.055 466 HH11 ARG 61 1HH1 ARG 61 22.140 8.793 -4.115 467 HH12 ARG 61 2HH1 ARG 61 22.422 8.851 -2.406 468 HH21 ARG 61 1HH2 ARG 61 21.206 5.628 -1.804 469 HH22 ARG 61 2HH2 ARG 61 21.891 7.051 -1.093 470 H ALA 62 H ALA 62 23.866 5.922 -9.537 471 HA ALA 62 HA ALA 62 25.139 3.957 -8.038 472 HB1 ALA 62 1HB ALA 62 23.749 3.423 -9.949 473 HB2 ALA 62 2HB ALA 62 24.915 4.177 -11.037 474 HB3 ALA 62 3HB ALA 62 25.352 2.716 -10.151 475 H MET 63 H MET 63 26.476 6.537 -9.904 476 HA MET 63 HA MET 63 29.115 5.339 -10.050 477 HB2 MET 63 2HB MET 63 28.281 8.152 -10.771 478 HB3 MET 63 3HB MET 63 29.768 7.338 -11.239 479 HG2 MET 63 2HG MET 63 27.745 5.668 -12.146 480 HG3 MET 63 3HG MET 63 27.169 7.298 -12.487 481 HE1 MET 63 1HE MET 63 28.880 8.616 -15.225 482 HE2 MET 63 2HE MET 63 28.154 8.945 -13.652 483 HE3 MET 63 3HE MET 63 29.906 9.020 -13.847 484 H ILE 64 H ILE 64 27.622 8.173 -8.495 485 HA ILE 64 HA ILE 64 29.805 9.140 -7.116 486 HB ILE 64 HB ILE 64 26.982 9.047 -6.049 487 HG12 ILE 64 2HG1 ILE 64 26.947 9.984 -8.276 488 HG13 ILE 64 3HG1 ILE 64 26.771 11.295 -7.115 489 HG21 ILE 64 1HG2 ILE 64 29.181 11.035 -5.508 490 HG22 ILE 64 2HG2 ILE 64 27.586 10.980 -4.759 491 HG23 ILE 64 3HG2 ILE 64 28.756 9.700 -4.437 492 HD11 ILE 64 1HD1 ILE 64 28.264 11.896 -8.940 493 HD12 ILE 64 2HD1 ILE 64 29.116 11.869 -7.395 494 HD13 ILE 64 3HD1 ILE 64 29.314 10.538 -8.535 495 H LEU 65 H LEU 65 27.848 6.335 -6.434 496 HA LEU 65 HA LEU 65 29.361 5.879 -3.952 497 HB2 LEU 65 2HB LEU 65 26.612 5.267 -4.813 498 HB3 LEU 65 3HB LEU 65 27.422 3.998 -3.896 499 HG LEU 65 HG LEU 65 26.078 5.375 -2.428 500 HD11 LEU 65 1HD1 LEU 65 28.775 6.329 -1.707 501 HD12 LEU 65 2HD1 LEU 65 28.596 4.592 -1.950 502 HD13 LEU 65 3HD1 LEU 65 27.596 5.423 -0.759 503 HD21 LEU 65 1HD2 LEU 65 27.753 7.664 -3.454 504 HD22 LEU 65 2HD2 LEU 65 26.649 7.753 -2.081 505 HD23 LEU 65 3HD2 LEU 65 26.022 7.429 -3.698 506 H GLY 66 H GLY 66 27.853 3.906 -6.523 507 HA2 GLY 66 2HA GLY 66 29.307 2.549 -7.955 508 HA3 GLY 66 3HA GLY 66 30.315 2.274 -6.542 509 H LYS 67 H LYS 67 26.787 2.140 -6.739 510 HA LYS 67 HA LYS 67 26.949 -0.712 -6.016 511 HB2 LYS 67 2HB LYS 67 24.635 -0.288 -5.012 512 HB3 LYS 67 3HB LYS 67 26.017 0.380 -4.155 513 HG2 LYS 67 2HG LYS 67 25.570 2.562 -5.259 514 HG3 LYS 67 3HG LYS 67 24.102 1.860 -5.943 515 HD2 LYS 67 2HD LYS 67 23.234 1.445 -3.712 516 HD3 LYS 67 3HD LYS 67 24.724 2.064 -2.996 517 HE2 LYS 67 2HE LYS 67 24.219 4.228 -4.255 518 HE3 LYS 67 3HE LYS 67 22.605 3.566 -4.508 519 HZ1 LYS 67 1HZ LYS 67 22.031 4.027 -2.423 520 HZ2 LYS 67 2HZ LYS 67 23.423 4.984 -2.337 521 HZ3 LYS 67 3HZ LYS 67 23.459 3.387 -1.780 522 H SER 68 H SER 68 24.936 1.693 -7.692 523 HA SER 68 HA SER 68 23.471 1.513 -9.427 524 HB2 SER 68 2HB SER 68 24.290 0.451 -11.334 525 HB3 SER 68 3HB SER 68 25.761 0.715 -10.398 526 HG SER 68 HG SER 68 24.908 -1.555 -11.321 527 H GLY 69 H GLY 69 22.838 0.048 -7.014 528 HA2 GLY 69 2HA GLY 69 21.773 -2.513 -7.725 529 HA3 GLY 69 3HA GLY 69 21.463 -1.633 -6.236 530 H GLU 70 H GLU 70 19.995 0.330 -6.528 531 HA GLU 70 HA GLU 70 17.483 -0.481 -7.332 532 HB2 GLU 70 2HB GLU 70 18.583 2.326 -7.121 533 HB3 GLU 70 3HB GLU 70 16.875 1.942 -7.284 534 HG2 GLU 70 2HG GLU 70 16.951 2.118 -5.039 535 HG3 GLU 70 3HG GLU 70 17.426 0.426 -5.168 536 H LEU 71 H LEU 71 20.028 0.995 -9.209 537 HA LEU 71 HA LEU 71 18.563 1.869 -11.421 538 HB2 LEU 71 2HB LEU 71 21.360 1.219 -10.831 539 HB3 LEU 71 3HB LEU 71 20.914 1.035 -12.526 540 HG LEU 71 HG LEU 71 20.643 3.554 -10.886 541 HD11 LEU 71 1HD1 LEU 71 22.685 4.119 -11.548 542 HD12 LEU 71 2HD1 LEU 71 22.335 3.679 -13.219 543 HD13 LEU 71 3HD1 LEU 71 22.899 2.453 -12.084 544 HD21 LEU 71 1HD2 LEU 71 20.415 4.257 -13.510 545 HD22 LEU 71 2HD2 LEU 71 19.063 4.039 -12.399 546 HD23 LEU 71 3HD2 LEU 71 19.547 2.722 -13.469 547 H LYS 72 H LYS 72 19.747 -1.319 -10.552 548 HA LYS 72 HA LYS 72 19.332 -2.593 -13.027 549 HB2 LYS 72 2HB LYS 72 20.644 -3.538 -11.132 550 HB3 LYS 72 3HB LYS 72 19.137 -3.814 -10.267 551 HG2 LYS 72 2HG LYS 72 19.960 -5.850 -11.328 552 HG3 LYS 72 3HG LYS 72 18.402 -5.355 -11.994 553 HD2 LYS 72 2HD LYS 72 19.367 -4.606 -13.993 554 HD3 LYS 72 3HD LYS 72 20.987 -4.553 -13.294 555 HE2 LYS 72 2HE LYS 72 19.407 -7.084 -13.723 556 HE3 LYS 72 3HE LYS 72 20.597 -6.457 -14.863 557 HZ1 LYS 72 1HZ LYS 72 20.998 -7.720 -12.265 558 HZ2 LYS 72 2HZ LYS 72 22.059 -6.468 -12.675 559 HZ3 LYS 72 3HZ LYS 72 21.928 -7.826 -13.675 560 H THR 73 H THR 73 17.151 -1.610 -10.528 561 HA THR 73 HA THR 73 14.978 -3.239 -11.609 562 HB THR 73 HB THR 73 14.704 -1.302 -9.325 563 HG1 THR 73 HG1 THR 73 16.148 -2.508 -8.339 564 HG21 THR 73 1HG2 THR 73 13.252 -3.593 -8.813 565 HG22 THR 73 2HG2 THR 73 13.093 -3.392 -10.558 566 HG23 THR 73 3HG2 THR 73 12.612 -2.088 -9.472 567 H TRP 74 H TRP 74 16.049 0.088 -11.380 568 HA TRP 74 HA TRP 74 13.678 1.362 -12.172 569 HB2 TRP 74 2HB TRP 74 15.648 2.530 -11.215 570 HB3 TRP 74 3HB TRP 74 16.520 2.243 -12.718 571 HD1 TRP 74 HD1 TRP 74 16.659 4.467 -13.968 572 HE1 TRP 74 HE1 TRP 74 15.030 6.382 -14.521 573 HE3 TRP 74 HE3 TRP 74 12.560 2.813 -11.399 574 HZ2 TRP 74 HZ2 TRP 74 12.361 7.096 -13.944 575 HZ3 TRP 74 HZ3 TRP 74 10.509 4.171 -11.450 576 HH2 TRP 74 HH2 TRP 74 10.414 6.268 -12.696 577 H GLY 75 H GLY 75 16.329 -0.031 -14.048 578 HA2 GLY 75 2HA GLY 75 15.490 0.908 -16.578 579 HA3 GLY 75 3HA GLY 75 16.542 -0.470 -16.292 580 H LEU 76 H LEU 76 14.707 -2.021 -14.768 581 HA LEU 76 HA LEU 76 13.204 -3.174 -16.927 582 HB2 LEU 76 2HB LEU 76 13.646 -3.869 -14.050 583 HB3 LEU 76 3HB LEU 76 12.402 -4.694 -14.987 584 HG LEU 76 HG LEU 76 15.356 -4.668 -15.608 585 HD11 LEU 76 1HD1 LEU 76 13.555 -6.604 -14.220 586 HD12 LEU 76 2HD1 LEU 76 15.186 -6.083 -13.796 587 HD13 LEU 76 3HD1 LEU 76 14.937 -7.191 -15.145 588 HD21 LEU 76 1HD2 LEU 76 12.966 -5.765 -17.031 589 HD22 LEU 76 2HD2 LEU 76 14.525 -6.580 -17.156 590 HD23 LEU 76 3HD2 LEU 76 14.361 -4.904 -17.681 591 H VAL 77 H VAL 77 12.325 -1.826 -13.745 592 HA VAL 77 HA VAL 77 9.580 -1.990 -13.934 593 HB VAL 77 HB VAL 77 11.236 0.179 -12.642 594 HG11 VAL 77 1HG1 VAL 77 9.281 1.278 -12.515 595 HG12 VAL 77 2HG1 VAL 77 8.332 -0.160 -12.892 596 HG13 VAL 77 3HG1 VAL 77 8.907 0.112 -11.246 597 HG21 VAL 77 1HG2 VAL 77 9.964 -1.511 -10.770 598 HG22 VAL 77 2HG2 VAL 77 10.723 -2.549 -11.977 599 HG23 VAL 77 3HG2 VAL 77 11.689 -1.359 -11.105 600 H LEU 78 H LEU 78 11.742 0.426 -15.310 601 HA LEU 78 HA LEU 78 9.627 2.127 -16.233 602 HB2 LEU 78 2HB LEU 78 12.057 2.756 -15.711 603 HB3 LEU 78 3HB LEU 78 12.432 2.097 -17.301 604 HG LEU 78 HG LEU 78 10.983 3.762 -18.343 605 HD11 LEU 78 1HD1 LEU 78 9.371 4.736 -17.178 606 HD12 LEU 78 2HD1 LEU 78 10.592 5.605 -16.249 607 HD13 LEU 78 3HD1 LEU 78 9.995 4.046 -15.680 608 HD21 LEU 78 1HD2 LEU 78 13.297 4.471 -16.662 609 HD22 LEU 78 2HD2 LEU 78 12.320 5.823 -17.236 610 HD23 LEU 78 3HD2 LEU 78 13.034 4.696 -18.391 611 H GLY 79 H GLY 79 11.612 -0.430 -17.628 612 HA2 GLY 79 2HA GLY 79 11.031 -0.132 -20.319 613 HA3 GLY 79 3HA GLY 79 11.333 -1.676 -19.537 614 H ALA 80 H ALA 80 8.992 -1.364 -17.763 615 HA ALA 80 HA ALA 80 7.048 -2.510 -19.547 616 HB1 ALA 80 1HB ALA 80 5.680 -2.737 -17.471 617 HB2 ALA 80 2HB ALA 80 7.271 -3.495 -17.383 618 HB3 ALA 80 3HB ALA 80 6.987 -1.946 -16.589 619 H LEU 81 H LEU 81 6.736 0.119 -17.152 620 HA LEU 81 HA LEU 81 4.359 1.174 -18.081 621 HB2 LEU 81 2HB LEU 81 6.660 2.699 -16.869 622 HB3 LEU 81 3HB LEU 81 4.985 3.241 -16.948 623 HG LEU 81 HG LEU 81 5.525 0.680 -15.549 624 HD11 LEU 81 1HD1 LEU 81 5.957 2.060 -13.453 625 HD12 LEU 81 2HD1 LEU 81 6.384 3.376 -14.547 626 HD13 LEU 81 3HD1 LEU 81 7.298 1.868 -14.583 627 HD21 LEU 81 1HD2 LEU 81 3.827 2.958 -14.615 628 HD22 LEU 81 2HD2 LEU 81 3.628 1.227 -14.342 629 HD23 LEU 81 3HD2 LEU 81 3.276 1.916 -15.927 630 H LYS 82 H LYS 82 7.654 2.253 -18.905 631 HA LYS 82 HA LYS 82 7.031 4.267 -20.682 632 HB2 LYS 82 2HB LYS 82 9.331 3.404 -19.817 633 HB3 LYS 82 3HB LYS 82 9.299 2.384 -21.250 634 HG2 LYS 82 2HG LYS 82 9.587 4.133 -22.675 635 HG3 LYS 82 3HG LYS 82 8.773 5.281 -21.609 636 HD2 LYS 82 2HD LYS 82 11.067 4.402 -20.235 637 HD3 LYS 82 3HD LYS 82 11.575 4.741 -21.891 638 HE2 LYS 82 2HE LYS 82 9.785 6.744 -20.695 639 HE3 LYS 82 3HE LYS 82 11.367 6.605 -19.930 640 HZ1 LYS 82 1HZ LYS 82 11.481 8.226 -21.662 641 HZ2 LYS 82 2HZ LYS 82 10.823 7.157 -22.795 642 HZ3 LYS 82 3HZ LYS 82 12.364 6.871 -22.158 643 H ALA 83 H ALA 83 7.612 0.839 -21.474 644 HA ALA 83 HA ALA 83 7.156 0.931 -24.192 645 HB1 ALA 83 1HB ALA 83 7.907 -1.122 -23.554 646 HB2 ALA 83 2HB ALA 83 6.881 -1.177 -22.120 647 HB3 ALA 83 3HB ALA 83 6.189 -1.487 -23.712 648 H ALA 84 H ALA 84 4.853 1.047 -21.574 649 HA ALA 84 HA ALA 84 2.545 0.513 -23.177 650 HB1 ALA 84 1HB ALA 84 2.286 2.029 -20.641 651 HB2 ALA 84 2HB ALA 84 1.346 0.666 -21.251 652 HB3 ALA 84 3HB ALA 84 2.944 0.394 -20.555 653 H ARG 85 H ARG 85 3.930 3.473 -21.760 654 HA ARG 85 HA ARG 85 2.111 5.096 -23.366 655 HB2 ARG 85 2HB ARG 85 4.144 5.944 -21.295 656 HB3 ARG 85 3HB ARG 85 2.947 6.984 -22.055 657 HG2 ARG 85 2HG ARG 85 1.455 6.449 -20.515 658 HG3 ARG 85 3HG ARG 85 1.626 4.735 -20.898 659 HD2 ARG 85 2HD ARG 85 3.186 4.383 -19.241 660 HD3 ARG 85 3HD ARG 85 3.704 6.068 -19.226 661 HE ARG 85 HE ARG 85 2.089 6.510 -17.668 662 HH11 ARG 85 1HH1 ARG 85 1.397 3.454 -19.185 663 HH12 ARG 85 2HH1 ARG 85 0.103 3.062 -18.103 664 HH21 ARG 85 1HH2 ARG 85 0.387 6.005 -16.237 665 HH22 ARG 85 2HH2 ARG 85 -0.472 4.514 -16.427 666 H GLU 86 H GLU 86 3.297 4.241 -25.316 667 HA GLU 86 HA GLU 86 5.629 5.952 -25.878 668 HB2 GLU 86 2HB GLU 86 5.454 3.122 -25.974 669 HB3 GLU 86 3HB GLU 86 5.568 3.693 -27.633 670 HG2 GLU 86 2HG GLU 86 7.456 4.624 -25.499 671 HG3 GLU 86 3HG GLU 86 7.736 3.151 -26.426 672 H GLU 87 H GLU 87 2.924 4.185 -27.366 673 HA GLU 87 HA GLU 87 1.637 4.621 -29.191 674 HB2 GLU 87 2HB GLU 87 1.611 6.874 -27.693 675 HB3 GLU 87 3HB GLU 87 2.253 7.513 -29.200 676 HG2 GLU 87 2HG GLU 87 0.311 6.572 -30.391 677 HG3 GLU 87 3HG GLU 87 -0.343 6.032 -28.846 Start of MODEL 5 1 H1 SER 1 H SER 1 1.181 -0.631 1.245 2 HA SER 1 HA SER 1 0.901 0.481 -1.463 3 HB2 SER 1 2HB SER 1 3.291 0.058 0.323 4 HB3 SER 1 3HB SER 1 3.471 0.333 -1.409 5 HG SER 1 HG SER 1 2.317 2.057 0.519 6 H GLU 2 H GLU 2 -0.275 -1.946 -1.145 7 HA GLU 2 HA GLU 2 1.638 -3.949 -2.093 8 HB2 GLU 2 2HB GLU 2 -1.110 -4.071 -0.916 9 HB3 GLU 2 3HB GLU 2 -0.546 -5.402 -1.916 10 HG2 GLU 2 2HG GLU 2 0.811 -6.181 -0.327 11 HG3 GLU 2 3HG GLU 2 1.372 -4.571 0.119 12 H ALA 3 H ALA 3 -1.505 -2.547 -2.990 13 HA ALA 3 HA ALA 3 -1.791 -3.851 -5.450 14 HB1 ALA 3 1HB ALA 3 -3.121 -1.756 -4.016 15 HB2 ALA 3 2HB ALA 3 -2.977 -1.322 -5.719 16 HB3 ALA 3 3HB ALA 3 -3.754 -2.836 -5.258 17 H VAL 4 H VAL 4 0.242 -1.236 -4.503 18 HA VAL 4 HA VAL 4 0.664 -0.223 -7.171 19 HB VAL 4 HB VAL 4 0.859 1.223 -5.154 20 HG11 VAL 4 1HG1 VAL 4 1.923 -0.331 -3.638 21 HG12 VAL 4 2HG1 VAL 4 3.357 -0.395 -4.664 22 HG13 VAL 4 3HG1 VAL 4 2.935 1.100 -3.828 23 HG21 VAL 4 1HG2 VAL 4 2.548 2.555 -6.039 24 HG22 VAL 4 2HG2 VAL 4 3.513 1.167 -6.545 25 HG23 VAL 4 3HG2 VAL 4 2.039 1.583 -7.421 26 H ILE 5 H ILE 5 1.842 -2.823 -5.345 27 HA ILE 5 HA ILE 5 4.354 -2.965 -6.843 28 HB ILE 5 HB ILE 5 3.367 -4.688 -4.567 29 HG12 ILE 5 2HG1 ILE 5 5.558 -2.607 -4.559 30 HG13 ILE 5 3HG1 ILE 5 3.912 -2.286 -4.024 31 HG21 ILE 5 1HG2 ILE 5 6.124 -4.925 -4.786 32 HG22 ILE 5 2HG2 ILE 5 4.921 -6.131 -5.239 33 HG23 ILE 5 3HG2 ILE 5 5.539 -5.005 -6.448 34 HD11 ILE 5 1HD1 ILE 5 6.061 -3.854 -2.729 35 HD12 ILE 5 2HD1 ILE 5 4.866 -2.763 -2.027 36 HD13 ILE 5 3HD1 ILE 5 4.398 -4.395 -2.502 37 H LYS 6 H LYS 6 1.265 -4.556 -6.477 38 HA LYS 6 HA LYS 6 1.922 -6.902 -7.950 39 HB2 LYS 6 2HB LYS 6 -0.395 -7.424 -7.864 40 HB3 LYS 6 3HB LYS 6 -0.007 -6.641 -6.337 41 HG2 LYS 6 2HG LYS 6 -0.970 -4.563 -7.125 42 HG3 LYS 6 3HG LYS 6 -1.295 -5.289 -8.701 43 HD2 LYS 6 2HD LYS 6 -3.301 -5.224 -7.278 44 HD3 LYS 6 3HD LYS 6 -2.826 -6.876 -7.680 45 HE2 LYS 6 2HE LYS 6 -2.378 -7.396 -5.539 46 HE3 LYS 6 3HE LYS 6 -1.634 -5.831 -5.213 47 HZ1 LYS 6 1HZ LYS 6 -4.260 -5.227 -5.511 48 HZ2 LYS 6 2HZ LYS 6 -3.462 -5.424 -4.033 49 HZ3 LYS 6 3HZ LYS 6 -4.317 -6.717 -4.712 50 H VAL 7 H VAL 7 0.643 -3.740 -8.794 51 HA VAL 7 HA VAL 7 -0.133 -4.358 -11.443 52 HB VAL 7 HB VAL 7 0.703 -1.700 -10.272 53 HG11 VAL 7 1HG1 VAL 7 -0.532 -0.715 -12.148 54 HG12 VAL 7 2HG1 VAL 7 0.833 -1.686 -12.704 55 HG13 VAL 7 3HG1 VAL 7 -0.808 -2.326 -12.808 56 HG21 VAL 7 1HG2 VAL 7 -1.473 -3.259 -9.615 57 HG22 VAL 7 2HG2 VAL 7 -1.328 -1.521 -9.359 58 HG23 VAL 7 3HG2 VAL 7 -2.123 -2.135 -10.808 59 H ILE 8 H ILE 8 2.921 -3.525 -9.982 60 HA ILE 8 HA ILE 8 4.203 -3.152 -12.572 61 HB ILE 8 HB ILE 8 5.368 -3.035 -9.787 62 HG12 ILE 8 2HG1 ILE 8 4.785 -0.774 -11.706 63 HG13 ILE 8 3HG1 ILE 8 3.699 -1.251 -10.406 64 HG21 ILE 8 1HG2 ILE 8 7.314 -1.995 -10.887 65 HG22 ILE 8 2HG2 ILE 8 7.059 -3.664 -11.396 66 HG23 ILE 8 3HG2 ILE 8 6.584 -2.336 -12.455 67 HD11 ILE 8 1HD1 ILE 8 6.544 -0.384 -9.977 68 HD12 ILE 8 2HD1 ILE 8 5.152 0.695 -9.886 69 HD13 ILE 8 3HD1 ILE 8 5.303 -0.648 -8.753 70 H SER 9 H SER 9 4.106 -5.453 -9.913 71 HA SER 9 HA SER 9 6.199 -7.109 -10.964 72 HB2 SER 9 2HB SER 9 5.720 -7.057 -8.556 73 HB3 SER 9 3HB SER 9 4.107 -7.704 -8.855 74 HG SER 9 HG SER 9 6.375 -9.090 -9.773 75 H SER 10 H SER 10 3.087 -6.560 -11.941 76 HA SER 10 HA SER 10 2.820 -9.269 -13.069 77 HB2 SER 10 2HB SER 10 0.980 -8.652 -11.541 78 HB3 SER 10 3HB SER 10 0.634 -7.240 -12.540 79 HG SER 10 HG SER 10 -0.512 -8.498 -13.751 80 H ALA 11 H ALA 11 3.029 -5.884 -13.729 81 HA ALA 11 HA ALA 11 2.244 -6.189 -16.513 82 HB1 ALA 11 1HB ALA 11 2.787 -3.729 -16.612 83 HB2 ALA 11 2HB ALA 11 1.487 -4.183 -15.509 84 HB3 ALA 11 3HB ALA 11 3.091 -3.811 -14.877 85 H CYS 12 H CYS 12 5.095 -6.219 -14.601 86 HA CYS 12 HA CYS 12 6.885 -5.524 -16.757 87 HB2 CYS 12 2HB CYS 12 7.206 -6.334 -13.895 88 HB3 CYS 12 3HB CYS 12 8.586 -6.469 -14.977 89 HG CYS 12 HG CYS 12 8.916 -3.845 -15.458 90 H LYS 13 H LYS 13 5.635 -8.426 -15.261 91 HA LYS 13 HA LYS 13 7.486 -10.225 -16.474 92 HB2 LYS 13 2HB LYS 13 4.715 -10.888 -15.479 93 HB3 LYS 13 3HB LYS 13 6.086 -11.978 -15.638 94 HG2 LYS 13 2HG LYS 13 7.259 -10.730 -13.876 95 HG3 LYS 13 3HG LYS 13 5.846 -9.687 -13.697 96 HD2 LYS 13 2HD LYS 13 4.572 -11.354 -12.742 97 HD3 LYS 13 3HD LYS 13 5.512 -12.647 -13.490 98 HE2 LYS 13 2HE LYS 13 7.211 -11.119 -11.774 99 HE3 LYS 13 3HE LYS 13 5.760 -11.583 -10.885 100 HZ1 LYS 13 1HZ LYS 13 7.800 -13.169 -10.992 101 HZ2 LYS 13 2HZ LYS 13 7.155 -13.606 -12.493 102 HZ3 LYS 13 3HZ LYS 13 6.232 -13.799 -11.088 103 H THR 14 H THR 14 4.935 -8.428 -17.703 104 HA THR 14 HA THR 14 4.492 -10.323 -19.912 105 HB THR 14 HB THR 14 2.806 -7.988 -18.994 106 HG1 THR 14 HG1 THR 14 2.056 -9.556 -17.776 107 HG21 THR 14 1HG2 THR 14 1.341 -9.471 -20.821 108 HG22 THR 14 2HG2 THR 14 2.939 -9.351 -21.556 109 HG23 THR 14 3HG2 THR 14 2.066 -7.888 -21.102 110 H TYR 15 H TYR 15 5.454 -7.048 -19.107 111 HA TYR 15 HA TYR 15 5.727 -6.286 -21.891 112 HB2 TYR 15 2HB TYR 15 6.162 -4.881 -19.271 113 HB3 TYR 15 3HB TYR 15 6.766 -4.187 -20.772 114 HD1 TYR 15 HD1 TYR 15 3.583 -5.838 -19.690 115 HD2 TYR 15 HD2 TYR 15 5.427 -2.507 -21.590 116 HE1 TYR 15 HE1 TYR 15 1.366 -4.866 -20.124 117 HE2 TYR 15 HE2 TYR 15 3.215 -1.525 -22.028 118 HH TYR 15 HH TYR 15 0.861 -2.325 -22.268 119 H CYS 16 H CYS 16 7.806 -7.076 -19.149 120 HA CYS 16 HA CYS 16 10.210 -6.688 -20.728 121 HB2 CYS 16 2HB CYS 16 10.019 -7.838 -17.944 122 HB3 CYS 16 3HB CYS 16 11.424 -7.111 -18.713 123 HG CYS 16 HG CYS 16 10.855 -4.601 -18.239 124 H GLY 17 H GLY 17 8.504 -9.372 -19.140 125 HA2 GLY 17 2HA GLY 17 8.288 -11.505 -20.212 126 HA3 GLY 17 3HA GLY 17 9.802 -11.196 -21.049 127 H LYS 18 H LYS 18 11.388 -12.458 -20.375 128 HA LYS 18 HA LYS 18 11.294 -13.571 -17.676 129 HB2 LYS 18 2HB LYS 18 13.224 -14.242 -19.900 130 HB3 LYS 18 3HB LYS 18 12.923 -15.169 -18.436 131 HG2 LYS 18 2HG LYS 18 11.102 -16.164 -19.286 132 HG3 LYS 18 3HG LYS 18 10.556 -14.699 -20.106 133 HD2 LYS 18 2HD LYS 18 12.244 -15.062 -21.851 134 HD3 LYS 18 3HD LYS 18 12.765 -16.537 -21.034 135 HE2 LYS 18 2HE LYS 18 10.061 -16.914 -21.275 136 HE3 LYS 18 3HE LYS 18 10.457 -16.056 -22.763 137 HZ1 LYS 18 1HZ LYS 18 12.351 -17.773 -22.917 138 HZ2 LYS 18 2HZ LYS 18 10.783 -18.251 -23.332 139 HZ3 LYS 18 3HZ LYS 18 11.424 -18.675 -21.826 140 H THR 19 H THR 19 12.109 -10.753 -18.398 141 HA THR 19 HA THR 19 14.753 -10.807 -17.095 142 HB THR 19 HB THR 19 15.359 -9.949 -19.140 143 HG1 THR 19 HG1 THR 19 15.829 -8.348 -17.575 144 HG21 THR 19 1HG2 THR 19 13.159 -10.001 -20.170 145 HG22 THR 19 2HG2 THR 19 13.943 -8.458 -20.508 146 HG23 THR 19 3HG2 THR 19 12.683 -8.556 -19.279 147 H SER 20 H SER 20 11.561 -9.973 -16.768 148 HA SER 20 HA SER 20 11.448 -7.475 -15.645 149 HB2 SER 20 2HB SER 20 9.332 -8.231 -15.531 150 HB3 SER 20 3HB SER 20 9.860 -9.914 -15.489 151 HG SER 20 HG SER 20 8.751 -9.215 -13.569 152 HA PRO 21 HA PRO 21 13.676 -7.442 -11.867 153 HB2 PRO 21 2HB PRO 21 12.057 -5.985 -10.246 154 HB3 PRO 21 3HB PRO 21 12.971 -5.274 -11.581 155 HG2 PRO 21 2HG PRO 21 10.091 -6.085 -11.477 156 HG3 PRO 21 3HG PRO 21 10.818 -4.624 -12.172 157 HD2 PRO 21 2HD PRO 21 10.070 -6.741 -13.686 158 HD3 PRO 21 3HD PRO 21 11.451 -5.707 -14.106 159 H SER 22 H SER 22 13.058 -7.526 -9.301 160 HA SER 22 HA SER 22 11.531 -10.025 -8.976 161 HB2 SER 22 2HB SER 22 14.209 -9.420 -8.273 162 HB3 SER 22 3HB SER 22 13.301 -9.555 -6.767 163 HG SER 22 HG SER 22 14.188 -11.513 -8.273 164 H LYS 23 H LYS 23 10.217 -10.267 -7.147 165 HA LYS 23 HA LYS 23 8.735 -8.053 -6.365 166 HB2 LYS 23 2HB LYS 23 7.952 -10.386 -6.182 167 HB3 LYS 23 3HB LYS 23 9.084 -10.655 -4.863 168 HG2 LYS 23 2HG LYS 23 7.878 -8.744 -3.674 169 HG3 LYS 23 3HG LYS 23 6.621 -8.948 -4.896 170 HD2 LYS 23 2HD LYS 23 6.480 -11.352 -4.249 171 HD3 LYS 23 3HD LYS 23 7.608 -11.016 -2.933 172 HE2 LYS 23 2HE LYS 23 5.946 -9.217 -2.207 173 HE3 LYS 23 3HE LYS 23 4.810 -9.986 -3.315 174 HZ1 LYS 23 1HZ LYS 23 4.311 -11.195 -1.507 175 HZ2 LYS 23 2HZ LYS 23 5.790 -10.895 -0.743 176 HZ3 LYS 23 3HZ LYS 23 5.681 -12.092 -1.933 177 H LYS 24 H LYS 24 11.710 -9.297 -5.104 178 HA LYS 24 HA LYS 24 11.549 -7.828 -2.621 179 HB2 LYS 24 2HB LYS 24 12.739 -9.948 -2.659 180 HB3 LYS 24 3HB LYS 24 13.822 -9.350 -3.909 181 HG2 LYS 24 2HG LYS 24 14.868 -9.357 -1.697 182 HG3 LYS 24 3HG LYS 24 14.754 -7.730 -2.372 183 HD2 LYS 24 2HD LYS 24 12.780 -7.293 -1.002 184 HD3 LYS 24 3HD LYS 24 12.864 -8.930 -0.345 185 HE2 LYS 24 2HE LYS 24 15.382 -7.512 -0.082 186 HE3 LYS 24 3HE LYS 24 14.056 -6.657 0.705 187 HZ1 LYS 24 1HZ LYS 24 14.855 -8.086 2.330 188 HZ2 LYS 24 2HZ LYS 24 15.079 -9.371 1.254 189 HZ3 LYS 24 3HZ LYS 24 13.516 -8.922 1.720 190 H GLU 25 H GLU 25 13.021 -7.448 -5.781 191 HA GLU 25 HA GLU 25 14.692 -5.252 -5.094 192 HB2 GLU 25 2HB GLU 25 13.643 -6.285 -7.725 193 HB3 GLU 25 3HB GLU 25 14.693 -4.879 -7.615 194 HG2 GLU 25 2HG GLU 25 16.372 -6.308 -6.460 195 HG3 GLU 25 3HG GLU 25 15.338 -7.697 -6.787 196 H ILE 26 H ILE 26 11.472 -5.502 -6.558 197 HA ILE 26 HA ILE 26 10.996 -2.852 -7.153 198 HB ILE 26 HB ILE 26 9.004 -4.841 -6.057 199 HG12 ILE 26 2HG1 ILE 26 9.579 -4.126 -8.936 200 HG13 ILE 26 3HG1 ILE 26 10.292 -5.515 -8.123 201 HG21 ILE 26 1HG2 ILE 26 8.753 -2.085 -7.065 202 HG22 ILE 26 2HG2 ILE 26 7.584 -3.243 -7.698 203 HG23 ILE 26 3HG2 ILE 26 7.720 -2.990 -5.958 204 HD11 ILE 26 1HD1 ILE 26 7.362 -5.038 -8.611 205 HD12 ILE 26 2HD1 ILE 26 8.397 -6.203 -9.438 206 HD13 ILE 26 3HD1 ILE 26 8.037 -6.404 -7.723 207 H GLY 27 H GLY 27 10.167 -4.514 -4.102 208 HA2 GLY 27 2HA GLY 27 9.234 -2.249 -2.744 209 HA3 GLY 27 3HA GLY 27 9.854 -3.704 -1.979 210 H ALA 28 H ALA 28 12.452 -3.210 -3.507 211 HA ALA 28 HA ALA 28 13.601 -1.446 -1.480 212 HB1 ALA 28 1HB ALA 28 15.441 -2.724 -3.361 213 HB2 ALA 28 2HB ALA 28 15.456 -2.695 -1.597 214 HB3 ALA 28 3HB ALA 28 14.438 -3.854 -2.452 215 H MET 29 H MET 29 12.325 -1.067 -4.458 216 HA MET 29 HA MET 29 14.283 0.981 -5.257 217 HB2 MET 29 2HB MET 29 13.928 -0.760 -6.941 218 HB3 MET 29 3HB MET 29 12.199 -0.439 -6.926 219 HG2 MET 29 2HG MET 29 12.870 1.961 -7.586 220 HG3 MET 29 3HG MET 29 14.417 1.238 -8.018 221 HE1 MET 29 1HE MET 29 10.865 1.804 -10.359 222 HE2 MET 29 2HE MET 29 10.307 0.557 -9.243 223 HE3 MET 29 3HE MET 29 11.042 2.035 -8.619 224 H LEU 30 H LEU 30 10.794 0.330 -5.061 225 HA LEU 30 HA LEU 30 9.825 2.827 -5.734 226 HB2 LEU 30 2HB LEU 30 8.851 0.563 -4.106 227 HB3 LEU 30 3HB LEU 30 8.046 2.110 -3.851 228 HG LEU 30 HG LEU 30 7.353 2.196 -6.148 229 HD11 LEU 30 1HD1 LEU 30 7.847 0.052 -7.535 230 HD12 LEU 30 2HD1 LEU 30 9.224 -0.111 -6.446 231 HD13 LEU 30 3HD1 LEU 30 9.054 1.335 -7.441 232 HD21 LEU 30 1HD2 LEU 30 5.703 0.606 -6.047 233 HD22 LEU 30 2HD2 LEU 30 6.234 0.629 -4.365 234 HD23 LEU 30 3HD2 LEU 30 6.791 -0.646 -5.450 235 H SER 31 H SER 31 10.607 1.637 -2.467 236 HA SER 31 HA SER 31 10.073 4.048 -1.129 237 HB2 SER 31 2HB SER 31 11.583 3.064 0.666 238 HB3 SER 31 3HB SER 31 10.219 2.060 0.176 239 HG SER 31 HG SER 31 12.845 1.514 0.057 240 H LEU 32 H LEU 32 13.005 2.796 -2.634 241 HA LEU 32 HA LEU 32 14.885 4.584 -1.697 242 HB2 LEU 32 2HB LEU 32 15.155 2.579 -3.269 243 HB3 LEU 32 3HB LEU 32 14.798 3.714 -4.568 244 HG LEU 32 HG LEU 32 17.230 3.243 -4.197 245 HD11 LEU 32 1HD1 LEU 32 16.230 5.342 -5.240 246 HD12 LEU 32 2HD1 LEU 32 17.895 5.439 -4.667 247 HD13 LEU 32 3HD1 LEU 32 16.590 6.134 -3.706 248 HD21 LEU 32 1HD2 LEU 32 18.364 4.101 -2.312 249 HD22 LEU 32 2HD2 LEU 32 16.986 3.201 -1.678 250 HD23 LEU 32 3HD2 LEU 32 16.932 4.963 -1.747 251 H LEU 33 H LEU 33 12.758 4.957 -4.523 252 HA LEU 33 HA LEU 33 13.669 7.470 -5.336 253 HB2 LEU 33 2HB LEU 33 10.842 6.463 -5.568 254 HB3 LEU 33 3HB LEU 33 11.640 7.653 -6.594 255 HG LEU 33 HG LEU 33 12.646 4.832 -6.456 256 HD11 LEU 33 1HD1 LEU 33 10.685 5.683 -8.540 257 HD12 LEU 33 2HD1 LEU 33 10.113 5.054 -6.996 258 HD13 LEU 33 3HD1 LEU 33 11.145 4.060 -8.025 259 HD21 LEU 33 1HD2 LEU 33 12.789 7.074 -8.460 260 HD22 LEU 33 2HD2 LEU 33 13.296 5.422 -8.811 261 HD23 LEU 33 3HD2 LEU 33 14.113 6.347 -7.551 262 H GLN 34 H GLN 34 11.561 6.538 -2.742 263 HA GLN 34 HA GLN 34 10.393 9.114 -2.332 264 HB2 GLN 34 2HB GLN 34 10.169 6.479 -1.186 265 HB3 GLN 34 3HB GLN 34 10.309 7.682 0.089 266 HG2 GLN 34 2HG GLN 34 8.487 8.928 -1.335 267 HG3 GLN 34 3HG GLN 34 8.168 7.301 -1.935 268 HE21 GLN 34 1HE2 GLN 34 6.454 6.525 -0.946 269 HE22 GLN 34 2HE2 GLN 34 6.119 6.627 0.746 270 H LYS 35 H LYS 35 12.874 7.265 -0.562 271 HA LYS 35 HA LYS 35 13.549 9.334 1.225 272 HB2 LYS 35 2HB LYS 35 15.534 8.014 1.730 273 HB3 LYS 35 3HB LYS 35 14.121 6.974 1.615 274 HG2 LYS 35 2HG LYS 35 14.784 6.257 -0.596 275 HG3 LYS 35 3HG LYS 35 16.154 7.370 -0.572 276 HD2 LYS 35 2HD LYS 35 17.277 5.542 0.133 277 HD3 LYS 35 3HD LYS 35 16.614 6.000 1.704 278 HE2 LYS 35 2HE LYS 35 14.639 4.473 0.391 279 HE3 LYS 35 3HE LYS 35 16.168 3.622 0.175 280 HZ1 LYS 35 1HZ LYS 35 14.559 3.793 2.481 281 HZ2 LYS 35 2HZ LYS 35 16.072 4.470 2.818 282 HZ3 LYS 35 3HZ LYS 35 15.966 2.885 2.238 283 H GLU 36 H GLU 36 14.682 8.525 -1.995 284 HA GLU 36 HA GLU 36 16.955 10.205 -2.019 285 HB2 GLU 36 2HB GLU 36 15.445 8.615 -3.943 286 HB3 GLU 36 3HB GLU 36 16.081 10.096 -4.646 287 HG2 GLU 36 2HG GLU 36 17.859 8.329 -3.026 288 HG3 GLU 36 3HG GLU 36 17.494 7.927 -4.703 289 H GLY 37 H GLY 37 13.615 10.881 -2.126 290 HA2 GLY 37 2HA GLY 37 12.658 13.011 -1.957 291 HA3 GLY 37 3HA GLY 37 14.185 13.713 -2.472 292 H LEU 38 H LEU 38 12.788 11.107 -4.285 293 HA LEU 38 HA LEU 38 12.468 12.891 -6.562 294 HB2 LEU 38 2HB LEU 38 12.295 9.892 -6.322 295 HB3 LEU 38 3HB LEU 38 12.111 10.786 -7.829 296 HG LEU 38 HG LEU 38 14.613 10.724 -6.144 297 HD11 LEU 38 1HD1 LEU 38 13.614 9.007 -8.323 298 HD12 LEU 38 2HD1 LEU 38 14.753 8.653 -7.025 299 HD13 LEU 38 3HD1 LEU 38 15.291 9.537 -8.453 300 HD21 LEU 38 1HD2 LEU 38 15.197 11.511 -8.743 301 HD22 LEU 38 2HD2 LEU 38 15.163 12.537 -7.309 302 HD23 LEU 38 3HD2 LEU 38 13.730 12.399 -8.329 303 H LEU 39 H LEU 39 10.524 10.292 -5.074 304 HA LEU 39 HA LEU 39 8.112 11.795 -5.855 305 HB2 LEU 39 2HB LEU 39 7.044 9.436 -5.756 306 HB3 LEU 39 3HB LEU 39 7.961 9.923 -7.180 307 HG LEU 39 HG LEU 39 9.929 8.688 -6.156 308 HD11 LEU 39 1HD1 LEU 39 9.364 8.407 -3.913 309 HD12 LEU 39 2HD1 LEU 39 9.119 6.807 -4.613 310 HD13 LEU 39 3HD1 LEU 39 7.734 7.851 -4.295 311 HD21 LEU 39 1HD2 LEU 39 7.742 7.806 -7.694 312 HD22 LEU 39 2HD2 LEU 39 8.127 6.505 -6.567 313 HD23 LEU 39 3HD2 LEU 39 9.374 7.138 -7.643 314 H MET 40 H MET 40 6.166 11.153 -4.493 315 HA MET 40 HA MET 40 6.989 11.195 -1.682 316 HB2 MET 40 2HB MET 40 5.598 13.039 -2.209 317 HB3 MET 40 3HB MET 40 4.464 12.030 -3.096 318 HG2 MET 40 2HG MET 40 3.662 11.036 -1.082 319 HG3 MET 40 3HG MET 40 4.927 11.814 -0.135 320 HE1 MET 40 1HE MET 40 5.386 14.248 -0.629 321 HE2 MET 40 2HE MET 40 4.235 15.376 -1.345 322 HE3 MET 40 3HE MET 40 4.271 15.144 0.403 323 H SER 41 H SER 41 5.281 9.285 -4.016 324 HA SER 41 HA SER 41 4.944 7.183 -2.013 325 HB2 SER 41 2HB SER 41 2.769 8.663 -3.265 326 HB3 SER 41 3HB SER 41 2.650 6.929 -3.565 327 HG SER 41 HG SER 41 1.628 7.645 -1.595 328 HA PRO 42 HA PRO 42 6.291 4.452 -5.170 329 HB2 PRO 42 2HB PRO 42 4.813 2.225 -4.692 330 HB3 PRO 42 3HB PRO 42 6.130 2.749 -3.636 331 HG2 PRO 42 2HG PRO 42 3.178 3.137 -3.319 332 HG3 PRO 42 3HG PRO 42 4.383 2.677 -2.102 333 HD2 PRO 42 2HD PRO 42 3.433 5.203 -2.329 334 HD3 PRO 42 3HD PRO 42 5.090 4.850 -1.798 335 H SER 43 H SER 43 2.965 5.343 -5.013 336 HA SER 43 HA SER 43 2.178 4.005 -7.437 337 HB2 SER 43 2HB SER 43 0.243 5.884 -7.029 338 HB3 SER 43 3HB SER 43 0.254 4.290 -6.274 339 HG SER 43 HG SER 43 -0.015 6.051 -4.779 340 H ASP 44 H ASP 44 4.027 6.686 -6.797 341 HA ASP 44 HA ASP 44 3.125 8.448 -8.851 342 HB2 ASP 44 2HB ASP 44 4.811 8.713 -6.724 343 HB3 ASP 44 3HB ASP 44 5.957 8.626 -8.059 344 H LEU 45 H LEU 45 4.696 5.503 -8.957 345 HA LEU 45 HA LEU 45 6.560 5.876 -11.033 346 HB2 LEU 45 2HB LEU 45 5.415 3.683 -9.571 347 HB3 LEU 45 3HB LEU 45 5.507 3.287 -11.285 348 HG LEU 45 HG LEU 45 7.956 3.955 -11.156 349 HD11 LEU 45 1HD1 LEU 45 8.623 3.408 -8.590 350 HD12 LEU 45 2HD1 LEU 45 7.133 4.322 -8.362 351 HD13 LEU 45 3HD1 LEU 45 8.475 5.034 -9.257 352 HD21 LEU 45 1HD2 LEU 45 8.618 1.788 -10.469 353 HD22 LEU 45 2HD2 LEU 45 7.020 1.613 -11.195 354 HD23 LEU 45 3HD2 LEU 45 7.199 1.602 -9.440 355 H TYR 46 H TYR 46 3.166 5.935 -11.044 356 HA TYR 46 HA TYR 46 2.949 5.216 -13.862 357 HB2 TYR 46 2HB TYR 46 0.730 6.141 -12.037 358 HB3 TYR 46 3HB TYR 46 0.581 5.258 -13.552 359 HD1 TYR 46 HD1 TYR 46 2.616 3.141 -13.172 360 HD2 TYR 46 HD2 TYR 46 -0.252 4.728 -10.459 361 HE1 TYR 46 HE1 TYR 46 2.618 1.015 -11.936 362 HE2 TYR 46 HE2 TYR 46 -0.257 2.606 -9.215 363 HH TYR 46 HH TYR 46 0.330 0.378 -9.374 364 H SER 47 H SER 47 4.274 7.712 -12.747 365 HA SER 47 HA SER 47 2.664 9.702 -14.207 366 HB2 SER 47 2HB SER 47 2.955 10.273 -11.844 367 HB3 SER 47 3HB SER 47 4.705 10.135 -12.011 368 HG SER 47 HG SER 47 2.967 12.083 -13.073 369 HA PRO 48 HA PRO 48 6.309 9.040 -16.901 370 HB2 PRO 48 2HB PRO 48 4.973 9.617 -19.193 371 HB3 PRO 48 3HB PRO 48 4.951 8.015 -18.445 372 HG2 PRO 48 2HG PRO 48 2.912 10.203 -18.298 373 HG3 PRO 48 3HG PRO 48 2.669 8.460 -18.519 374 HD2 PRO 48 2HD PRO 48 2.336 9.686 -16.128 375 HD3 PRO 48 3HD PRO 48 2.914 8.014 -16.271 376 H GLY 49 H GLY 49 7.313 10.921 -16.022 377 HA2 GLY 49 2HA GLY 49 7.621 13.054 -17.790 378 HA3 GLY 49 3HA GLY 49 6.455 13.559 -16.576 379 H SER 50 H SER 50 7.754 11.912 -14.493 380 HA SER 50 HA SER 50 9.902 13.801 -13.868 381 HB2 SER 50 2HB SER 50 8.071 12.090 -12.242 382 HB3 SER 50 3HB SER 50 9.643 12.512 -11.563 383 HG SER 50 HG SER 50 9.116 14.679 -11.764 384 H TRP 51 H TRP 51 9.713 10.963 -15.380 385 HA TRP 51 HA TRP 51 11.669 9.390 -14.035 386 HB2 TRP 51 2HB TRP 51 10.753 9.282 -16.917 387 HB3 TRP 51 3HB TRP 51 11.691 8.040 -16.092 388 HD1 TRP 51 HD1 TRP 51 9.784 8.390 -13.353 389 HE1 TRP 51 HE1 TRP 51 7.523 7.161 -13.383 390 HE3 TRP 51 HE3 TRP 51 9.291 7.719 -18.397 391 HZ2 TRP 51 HZ2 TRP 51 5.763 6.053 -15.292 392 HZ3 TRP 51 HZ3 TRP 51 7.290 6.565 -19.244 393 HH2 TRP 51 HH2 TRP 51 5.564 5.750 -17.721 394 H ASP 52 H ASP 52 11.828 12.097 -16.126 395 HA ASP 52 HA ASP 52 14.315 11.677 -17.360 396 HB2 ASP 52 2HB ASP 52 12.489 13.926 -16.938 397 HB3 ASP 52 3HB ASP 52 14.182 14.408 -17.008 398 HA PRO 53 HA PRO 53 16.316 14.136 -13.724 399 HB2 PRO 53 2HB PRO 53 14.756 14.690 -11.572 400 HB3 PRO 53 3HB PRO 53 14.889 15.769 -12.966 401 HG2 PRO 53 2HG PRO 53 12.751 13.780 -12.307 402 HG3 PRO 53 3HG PRO 53 12.588 15.431 -12.932 403 HD2 PRO 53 2HD PRO 53 12.395 13.246 -14.520 404 HD3 PRO 53 3HD PRO 53 13.052 14.791 -15.098 405 H ILE 54 H ILE 54 13.974 11.631 -13.091 406 HA ILE 54 HA ILE 54 15.288 10.652 -10.723 407 HB ILE 54 HB ILE 54 13.093 9.487 -12.434 408 HG12 ILE 54 2HG1 ILE 54 12.987 10.525 -9.599 409 HG13 ILE 54 3HG1 ILE 54 12.638 11.526 -11.003 410 HG21 ILE 54 1HG2 ILE 54 13.880 7.535 -11.580 411 HG22 ILE 54 2HG2 ILE 54 14.645 8.319 -10.198 412 HG23 ILE 54 3HG2 ILE 54 12.903 8.047 -10.204 413 HD11 ILE 54 1HD1 ILE 54 10.831 10.025 -9.579 414 HD12 ILE 54 2HD1 ILE 54 10.582 10.709 -11.186 415 HD13 ILE 54 3HD1 ILE 54 11.139 9.045 -11.012 416 H THR 55 H THR 55 15.136 9.755 -14.136 417 HA THR 55 HA THR 55 16.697 7.382 -13.842 418 HB THR 55 HB THR 55 16.071 9.015 -16.310 419 HG1 THR 55 HG1 THR 55 14.210 8.042 -16.107 420 HG21 THR 55 1HG2 THR 55 16.568 6.560 -17.260 421 HG22 THR 55 2HG2 THR 55 17.672 6.558 -15.885 422 HG23 THR 55 3HG2 THR 55 17.813 7.802 -17.127 423 H ALA 56 H ALA 56 17.396 10.746 -14.546 424 HA ALA 56 HA ALA 56 20.130 10.277 -15.289 425 HB1 ALA 56 1HB ALA 56 19.597 12.237 -16.243 426 HB2 ALA 56 2HB ALA 56 18.345 12.593 -15.051 427 HB3 ALA 56 3HB ALA 56 20.037 12.923 -14.679 428 H ALA 57 H ALA 57 18.405 10.795 -12.337 429 HA ALA 57 HA ALA 57 20.675 11.642 -10.796 430 HB1 ALA 57 1HB ALA 57 18.866 12.387 -9.685 431 HB2 ALA 57 2HB ALA 57 17.829 11.096 -10.292 432 HB3 ALA 57 3HB ALA 57 18.912 10.792 -8.933 433 H LEU 58 H LEU 58 18.790 8.624 -10.999 434 HA LEU 58 HA LEU 58 20.436 7.159 -9.232 435 HB2 LEU 58 2HB LEU 58 18.621 6.194 -11.437 436 HB3 LEU 58 3HB LEU 58 19.328 5.173 -10.186 437 HG LEU 58 HG LEU 58 17.677 7.475 -9.298 438 HD11 LEU 58 1HD1 LEU 58 15.628 6.570 -9.823 439 HD12 LEU 58 2HD1 LEU 58 16.285 4.956 -10.087 440 HD13 LEU 58 3HD1 LEU 58 16.550 6.222 -11.285 441 HD21 LEU 58 1HD2 LEU 58 18.200 4.657 -8.394 442 HD22 LEU 58 2HD2 LEU 58 16.924 5.654 -7.692 443 HD23 LEU 58 3HD2 LEU 58 18.608 6.168 -7.579 444 H SER 59 H SER 59 20.286 7.231 -12.788 445 HA SER 59 HA SER 59 22.265 5.396 -13.361 446 HB2 SER 59 2HB SER 59 20.764 6.588 -15.011 447 HB3 SER 59 3HB SER 59 21.857 7.967 -14.899 448 HG SER 59 HG SER 59 23.539 6.324 -15.459 449 H GLN 60 H GLN 60 22.570 8.664 -12.193 450 HA GLN 60 HA GLN 60 25.414 8.791 -12.704 451 HB2 GLN 60 2HB GLN 60 24.255 10.862 -12.876 452 HB3 GLN 60 3HB GLN 60 23.477 10.636 -11.315 453 HG2 GLN 60 2HG GLN 60 25.264 11.375 -10.159 454 HG3 GLN 60 3HG GLN 60 26.423 10.691 -11.297 455 HE21 GLN 60 1HE2 GLN 60 26.893 11.849 -13.215 456 HE22 GLN 60 2HE2 GLN 60 26.647 13.556 -13.302 457 H ARG 61 H ARG 61 23.265 8.132 -10.015 458 HA ARG 61 HA ARG 61 25.038 8.346 -7.887 459 HB2 ARG 61 2HB ARG 61 22.539 7.918 -7.795 460 HB3 ARG 61 3HB ARG 61 22.901 6.228 -8.117 461 HG2 ARG 61 2HG ARG 61 24.387 6.301 -6.066 462 HG3 ARG 61 3HG ARG 61 23.639 7.859 -5.709 463 HD2 ARG 61 2HD ARG 61 21.435 6.795 -5.700 464 HD3 ARG 61 3HD ARG 61 22.185 5.240 -6.058 465 HE ARG 61 HE ARG 61 23.439 5.996 -3.795 466 HH11 ARG 61 1HH1 ARG 61 20.079 5.799 -4.686 467 HH12 ARG 61 2HH1 ARG 61 19.537 5.457 -3.076 468 HH21 ARG 61 1HH2 ARG 61 22.738 5.547 -1.671 469 HH22 ARG 61 2HH2 ARG 61 21.050 5.315 -1.362 470 H ALA 62 H ALA 62 24.525 5.692 -10.150 471 HA ALA 62 HA ALA 62 26.225 3.843 -8.804 472 HB1 ALA 62 1HB ALA 62 24.850 3.947 -11.434 473 HB2 ALA 62 2HB ALA 62 26.189 2.815 -11.243 474 HB3 ALA 62 3HB ALA 62 24.792 2.716 -10.172 475 H MET 63 H MET 63 26.898 6.642 -10.483 476 HA MET 63 HA MET 63 29.537 5.680 -11.352 477 HB2 MET 63 2HB MET 63 27.696 7.786 -12.320 478 HB3 MET 63 3HB MET 63 29.410 8.180 -12.367 479 HG2 MET 63 2HG MET 63 29.228 5.607 -13.417 480 HG3 MET 63 3HG MET 63 27.865 6.487 -14.103 481 HE1 MET 63 1HE MET 63 28.562 9.262 -14.357 482 HE2 MET 63 2HE MET 63 29.647 9.572 -15.712 483 HE3 MET 63 3HE MET 63 28.214 8.570 -15.942 484 H ILE 64 H ILE 64 27.941 8.323 -9.600 485 HA ILE 64 HA ILE 64 30.217 9.717 -8.800 486 HB ILE 64 HB ILE 64 27.615 9.393 -7.300 487 HG12 ILE 64 2HG1 ILE 64 27.267 10.299 -9.528 488 HG13 ILE 64 3HG1 ILE 64 27.057 11.578 -8.337 489 HG21 ILE 64 1HG2 ILE 64 28.818 11.900 -6.810 490 HG22 ILE 64 2HG2 ILE 64 28.528 10.587 -5.669 491 HG23 ILE 64 3HG2 ILE 64 30.053 10.667 -6.551 492 HD11 ILE 64 1HD1 ILE 64 28.285 12.371 -10.268 493 HD12 ILE 64 2HD1 ILE 64 29.305 12.395 -8.829 494 HD13 ILE 64 3HD1 ILE 64 29.502 11.118 -10.029 495 H LEU 65 H LEU 65 28.438 7.171 -7.054 496 HA LEU 65 HA LEU 65 30.692 6.922 -5.197 497 HB2 LEU 65 2HB LEU 65 27.803 6.407 -5.059 498 HB3 LEU 65 3HB LEU 65 28.810 5.193 -4.273 499 HG LEU 65 HG LEU 65 29.605 7.870 -3.516 500 HD11 LEU 65 1HD1 LEU 65 26.945 7.222 -2.398 501 HD12 LEU 65 2HD1 LEU 65 26.988 7.910 -4.021 502 HD13 LEU 65 3HD1 LEU 65 27.714 8.786 -2.673 503 HD21 LEU 65 1HD2 LEU 65 28.446 5.671 -1.822 504 HD22 LEU 65 2HD2 LEU 65 29.560 6.949 -1.338 505 HD23 LEU 65 3HD2 LEU 65 30.110 5.657 -2.406 506 H GLY 66 H GLY 66 28.550 4.871 -7.176 507 HA2 GLY 66 2HA GLY 66 29.741 3.269 -8.660 508 HA3 GLY 66 3HA GLY 66 30.738 2.885 -7.265 509 H LYS 67 H LYS 67 27.337 3.446 -6.866 510 HA LYS 67 HA LYS 67 26.911 0.546 -6.566 511 HB2 LYS 67 2HB LYS 67 25.288 1.152 -4.730 512 HB3 LYS 67 3HB LYS 67 26.986 1.415 -4.354 513 HG2 LYS 67 2HG LYS 67 26.751 3.654 -4.216 514 HG3 LYS 67 3HG LYS 67 25.540 3.716 -5.499 515 HD2 LYS 67 2HD LYS 67 24.370 4.300 -3.553 516 HD3 LYS 67 3HD LYS 67 23.964 2.603 -3.820 517 HE2 LYS 67 2HE LYS 67 25.563 1.912 -2.156 518 HE3 LYS 67 3HE LYS 67 26.137 3.568 -1.966 519 HZ1 LYS 67 1HZ LYS 67 23.309 3.304 -1.562 520 HZ2 LYS 67 2HZ LYS 67 24.474 4.049 -0.587 521 HZ3 LYS 67 3HZ LYS 67 24.212 2.381 -0.469 522 H SER 68 H SER 68 25.303 -0.255 -7.746 523 HA SER 68 HA SER 68 23.454 1.621 -9.036 524 HB2 SER 68 2HB SER 68 24.725 -0.899 -9.829 525 HB3 SER 68 3HB SER 68 23.003 -0.835 -10.204 526 HG SER 68 HG SER 68 24.023 0.075 -11.923 527 H GLY 69 H GLY 69 23.088 -1.807 -8.163 528 HA2 GLY 69 2HA GLY 69 21.337 -2.925 -7.182 529 HA3 GLY 69 3HA GLY 69 21.298 -1.565 -6.069 530 H GLU 70 H GLU 70 19.669 -0.099 -6.197 531 HA GLU 70 HA GLU 70 17.237 -0.764 -7.272 532 HB2 GLU 70 2HB GLU 70 18.449 1.835 -6.433 533 HB3 GLU 70 3HB GLU 70 16.886 1.850 -7.236 534 HG2 GLU 70 2HG GLU 70 16.189 1.725 -5.086 535 HG3 GLU 70 3HG GLU 70 16.338 0.003 -5.431 536 H LEU 71 H LEU 71 19.894 0.917 -8.814 537 HA LEU 71 HA LEU 71 18.635 2.005 -11.025 538 HB2 LEU 71 2HB LEU 71 21.305 1.399 -10.220 539 HB3 LEU 71 3HB LEU 71 21.096 0.926 -11.904 540 HG LEU 71 HG LEU 71 20.712 3.672 -10.722 541 HD11 LEU 71 1HD1 LEU 71 22.661 4.279 -11.754 542 HD12 LEU 71 2HD1 LEU 71 22.540 3.014 -12.976 543 HD13 LEU 71 3HD1 LEU 71 23.035 2.607 -11.334 544 HD21 LEU 71 1HD2 LEU 71 19.592 2.469 -13.111 545 HD22 LEU 71 2HD2 LEU 71 20.596 3.872 -13.479 546 HD23 LEU 71 3HD2 LEU 71 19.242 4.025 -12.357 547 H LYS 72 H LYS 72 19.776 -1.299 -10.507 548 HA LYS 72 HA LYS 72 19.278 -2.250 -13.114 549 HB2 LYS 72 2HB LYS 72 20.701 -3.485 -11.592 550 HB3 LYS 72 3HB LYS 72 19.367 -3.705 -10.466 551 HG2 LYS 72 2HG LYS 72 19.656 -5.751 -11.618 552 HG3 LYS 72 3HG LYS 72 18.191 -5.003 -12.258 553 HD2 LYS 72 2HD LYS 72 19.051 -4.850 -14.317 554 HD3 LYS 72 3HD LYS 72 20.588 -4.222 -13.716 555 HE2 LYS 72 2HE LYS 72 21.019 -6.663 -12.976 556 HE3 LYS 72 3HE LYS 72 19.726 -7.065 -14.106 557 HZ1 LYS 72 1HZ LYS 72 21.687 -7.242 -15.333 558 HZ2 LYS 72 2HZ LYS 72 22.346 -5.825 -14.687 559 HZ3 LYS 72 3HZ LYS 72 21.061 -5.736 -15.783 560 H THR 73 H THR 73 17.202 -1.602 -10.433 561 HA THR 73 HA THR 73 15.010 -3.177 -11.528 562 HB THR 73 HB THR 73 14.757 -1.316 -9.182 563 HG1 THR 73 HG1 THR 73 16.200 -3.706 -9.363 564 HG21 THR 73 1HG2 THR 73 13.512 -3.909 -8.971 565 HG22 THR 73 2HG2 THR 73 13.037 -3.110 -10.469 566 HG23 THR 73 3HG2 THR 73 12.776 -2.308 -8.921 567 H TRP 74 H TRP 74 16.047 0.153 -11.250 568 HA TRP 74 HA TRP 74 13.586 1.354 -11.988 569 HB2 TRP 74 2HB TRP 74 15.369 2.607 -10.856 570 HB3 TRP 74 3HB TRP 74 16.408 2.411 -12.265 571 HD1 TRP 74 HD1 TRP 74 16.548 4.630 -13.515 572 HE1 TRP 74 HE1 TRP 74 14.905 6.507 -14.150 573 HE3 TRP 74 HE3 TRP 74 12.339 2.827 -11.241 574 HZ2 TRP 74 HZ2 TRP 74 12.185 7.139 -13.740 575 HZ3 TRP 74 HZ3 TRP 74 10.258 4.129 -11.410 576 HH2 TRP 74 HH2 TRP 74 10.185 6.240 -12.633 577 H GLY 75 H GLY 75 16.464 0.402 -13.833 578 HA2 GLY 75 2HA GLY 75 15.621 1.415 -16.323 579 HA3 GLY 75 3HA GLY 75 16.802 0.135 -16.087 580 H LEU 76 H LEU 76 14.785 -1.499 -14.614 581 HA LEU 76 HA LEU 76 13.580 -2.698 -16.975 582 HB2 LEU 76 2HB LEU 76 14.070 -3.582 -14.165 583 HB3 LEU 76 3HB LEU 76 12.867 -4.419 -15.145 584 HG LEU 76 HG LEU 76 15.798 -4.144 -15.810 585 HD11 LEU 76 1HD1 LEU 76 14.174 -6.284 -14.510 586 HD12 LEU 76 2HD1 LEU 76 15.781 -5.685 -14.100 587 HD13 LEU 76 3HD1 LEU 76 15.559 -6.719 -15.511 588 HD21 LEU 76 1HD2 LEU 76 15.312 -4.822 -17.866 589 HD22 LEU 76 2HD2 LEU 76 13.600 -4.625 -17.489 590 HD23 LEU 76 3HD2 LEU 76 14.385 -6.186 -17.242 591 H VAL 77 H VAL 77 12.497 -1.750 -13.711 592 HA VAL 77 HA VAL 77 9.786 -2.129 -14.019 593 HB VAL 77 HB VAL 77 11.232 0.000 -12.443 594 HG11 VAL 77 1HG1 VAL 77 8.367 -0.433 -12.888 595 HG12 VAL 77 2HG1 VAL 77 8.838 -0.322 -11.191 596 HG13 VAL 77 3HG1 VAL 77 9.224 0.992 -12.303 597 HG21 VAL 77 1HG2 VAL 77 9.869 -2.473 -11.416 598 HG22 VAL 77 2HG2 VAL 77 11.556 -2.476 -11.930 599 HG23 VAL 77 3HG2 VAL 77 11.043 -1.444 -10.596 600 H LEU 78 H LEU 78 11.788 0.465 -15.231 601 HA LEU 78 HA LEU 78 9.607 2.181 -15.949 602 HB2 LEU 78 2HB LEU 78 11.986 2.892 -15.476 603 HB3 LEU 78 3HB LEU 78 12.403 2.238 -17.059 604 HG LEU 78 HG LEU 78 10.931 3.864 -18.130 605 HD11 LEU 78 1HD1 LEU 78 9.284 4.825 -17.005 606 HD12 LEU 78 2HD1 LEU 78 10.465 5.688 -16.021 607 HD13 LEU 78 3HD1 LEU 78 9.868 4.112 -15.501 608 HD21 LEU 78 1HD2 LEU 78 13.386 4.332 -17.117 609 HD22 LEU 78 2HD2 LEU 78 12.472 5.625 -16.340 610 HD23 LEU 78 3HD2 LEU 78 12.489 5.491 -18.099 611 H GLY 79 H GLY 79 11.534 -0.274 -17.572 612 HA2 GLY 79 2HA GLY 79 10.829 0.206 -20.219 613 HA3 GLY 79 3HA GLY 79 11.215 -1.376 -19.560 614 H ALA 80 H ALA 80 9.014 -1.424 -17.685 615 HA ALA 80 HA ALA 80 6.973 -2.358 -19.492 616 HB1 ALA 80 1HB ALA 80 5.856 -3.187 -17.521 617 HB2 ALA 80 2HB ALA 80 7.572 -3.587 -17.435 618 HB3 ALA 80 3HB ALA 80 6.929 -2.251 -16.480 619 H LEU 81 H LEU 81 7.138 0.098 -16.917 620 HA LEU 81 HA LEU 81 4.544 1.091 -17.199 621 HB2 LEU 81 2HB LEU 81 7.029 2.590 -16.380 622 HB3 LEU 81 3HB LEU 81 5.369 3.102 -16.083 623 HG LEU 81 HG LEU 81 6.522 0.560 -14.954 624 HD11 LEU 81 1HD1 LEU 81 7.483 1.643 -13.253 625 HD12 LEU 81 2HD1 LEU 81 6.167 2.809 -13.126 626 HD13 LEU 81 3HD1 LEU 81 7.448 3.051 -14.314 627 HD21 LEU 81 1HD2 LEU 81 4.199 0.439 -14.853 628 HD22 LEU 81 2HD2 LEU 81 4.026 2.163 -14.522 629 HD23 LEU 81 3HD2 LEU 81 4.645 1.082 -13.272 630 H LYS 82 H LYS 82 7.572 2.372 -18.580 631 HA LYS 82 HA LYS 82 6.528 4.457 -20.055 632 HB2 LYS 82 2HB LYS 82 8.999 3.514 -19.721 633 HB3 LYS 82 3HB LYS 82 8.683 2.829 -21.310 634 HG2 LYS 82 2HG LYS 82 8.596 4.879 -22.331 635 HG3 LYS 82 3HG LYS 82 8.125 5.718 -20.851 636 HD2 LYS 82 2HD LYS 82 10.607 4.705 -20.228 637 HD3 LYS 82 3HD LYS 82 10.779 5.159 -21.925 638 HE2 LYS 82 2HE LYS 82 9.395 7.271 -20.740 639 HE3 LYS 82 3HE LYS 82 10.641 6.830 -19.574 640 HZ1 LYS 82 1HZ LYS 82 12.305 7.419 -20.985 641 HZ2 LYS 82 2HZ LYS 82 11.120 8.503 -21.518 642 HZ3 LYS 82 3HZ LYS 82 11.416 7.080 -22.385 643 H ALA 83 H ALA 83 6.919 1.068 -21.046 644 HA ALA 83 HA ALA 83 5.795 1.458 -23.636 645 HB1 ALA 83 1HB ALA 83 6.559 -0.916 -21.999 646 HB2 ALA 83 2HB ALA 83 5.569 -1.138 -23.442 647 HB3 ALA 83 3HB ALA 83 7.162 -0.391 -23.571 648 H ALA 84 H ALA 84 4.471 1.020 -20.501 649 HA ALA 84 HA ALA 84 2.008 -0.186 -21.171 650 HB1 ALA 84 1HB ALA 84 1.843 1.653 -18.931 651 HB2 ALA 84 2HB ALA 84 1.642 -0.099 -18.974 652 HB3 ALA 84 3HB ALA 84 3.255 0.601 -18.838 653 H ARG 85 H ARG 85 2.559 3.217 -20.243 654 HA ARG 85 HA ARG 85 0.113 4.217 -21.034 655 HB2 ARG 85 2HB ARG 85 1.130 6.400 -21.046 656 HB3 ARG 85 3HB ARG 85 1.838 5.460 -19.739 657 HG2 ARG 85 2HG ARG 85 3.579 4.927 -21.737 658 HG3 ARG 85 3HG ARG 85 3.074 6.564 -22.161 659 HD2 ARG 85 2HD ARG 85 3.586 7.248 -19.816 660 HD3 ARG 85 3HD ARG 85 4.248 5.637 -19.545 661 HE ARG 85 HE ARG 85 6.113 6.225 -20.752 662 HH11 ARG 85 1HH1 ARG 85 3.630 8.626 -21.185 663 HH12 ARG 85 2HH1 ARG 85 4.676 9.752 -21.986 664 HH21 ARG 85 1HH2 ARG 85 7.500 7.699 -21.804 665 HH22 ARG 85 2HH2 ARG 85 6.877 9.223 -22.338 666 H GLU 86 H GLU 86 2.915 3.454 -22.979 667 HA GLU 86 HA GLU 86 2.078 4.830 -25.324 668 HB2 GLU 86 2HB GLU 86 4.399 3.649 -24.549 669 HB3 GLU 86 3HB GLU 86 3.775 2.439 -25.660 670 HG2 GLU 86 2HG GLU 86 4.372 5.324 -26.249 671 HG3 GLU 86 3HG GLU 86 5.206 3.902 -26.874 672 H GLU 87 H GLU 87 1.942 1.408 -24.354 673 HA GLU 87 HA GLU 87 0.604 0.499 -26.660 674 HB2 GLU 87 2HB GLU 87 1.824 -0.892 -24.911 675 HB3 GLU 87 3HB GLU 87 0.378 -0.743 -23.923 676 HG2 GLU 87 2HG GLU 87 -0.269 -1.614 -26.595 677 HG3 GLU 87 3HG GLU 87 0.912 -2.680 -25.836 Start of MODEL 6 1 H1 SER 1 H SER 1 -0.809 -0.235 -0.466 2 HA SER 1 HA SER 1 0.877 0.799 -1.796 3 HB2 SER 1 2HB SER 1 3.216 0.802 -1.051 4 HB3 SER 1 3HB SER 1 2.173 1.538 0.166 5 HG SER 1 HG SER 1 2.491 -0.128 1.477 6 H GLU 2 H GLU 2 0.857 -2.294 -0.234 7 HA GLU 2 HA GLU 2 2.622 -3.766 -1.764 8 HB2 GLU 2 2HB GLU 2 1.195 -5.722 -1.254 9 HB3 GLU 2 3HB GLU 2 1.507 -4.724 0.159 10 HG2 GLU 2 2HG GLU 2 -0.843 -3.705 -0.915 11 HG3 GLU 2 3HG GLU 2 -0.997 -5.454 -1.066 12 H ALA 3 H ALA 3 -0.617 -2.670 -2.554 13 HA ALA 3 HA ALA 3 -1.141 -4.233 -4.793 14 HB1 ALA 3 1HB ALA 3 -2.881 -2.807 -5.231 15 HB2 ALA 3 2HB ALA 3 -2.579 -2.435 -3.533 16 HB3 ALA 3 3HB ALA 3 -1.958 -1.369 -4.794 17 H VAL 4 H VAL 4 0.716 -1.242 -4.499 18 HA VAL 4 HA VAL 4 1.100 -0.691 -7.206 19 HB VAL 4 HB VAL 4 3.018 -0.188 -4.925 20 HG11 VAL 4 1HG1 VAL 4 3.947 1.567 -6.350 21 HG12 VAL 4 2HG1 VAL 4 4.111 -0.020 -7.103 22 HG13 VAL 4 3HG1 VAL 4 2.857 1.093 -7.652 23 HG21 VAL 4 1HG2 VAL 4 2.011 2.101 -4.991 24 HG22 VAL 4 2HG2 VAL 4 0.781 1.467 -6.083 25 HG23 VAL 4 3HG2 VAL 4 0.912 0.836 -4.442 26 H ILE 5 H ILE 5 3.267 -2.465 -4.995 27 HA ILE 5 HA ILE 5 5.169 -3.215 -6.890 28 HB ILE 5 HB ILE 5 4.331 -4.741 -4.421 29 HG12 ILE 5 2HG1 ILE 5 6.606 -2.780 -4.766 30 HG13 ILE 5 3HG1 ILE 5 5.043 -2.350 -4.080 31 HG21 ILE 5 1HG2 ILE 5 6.828 -4.902 -6.102 32 HG22 ILE 5 2HG2 ILE 5 6.623 -5.676 -4.531 33 HG23 ILE 5 3HG2 ILE 5 5.608 -6.157 -5.891 34 HD11 ILE 5 1HD1 ILE 5 5.978 -4.634 -2.704 35 HD12 ILE 5 2HD1 ILE 5 7.302 -3.471 -2.792 36 HD13 ILE 5 3HD1 ILE 5 5.754 -2.995 -2.095 37 H LYS 6 H LYS 6 1.998 -4.455 -6.281 38 HA LYS 6 HA LYS 6 2.431 -6.939 -7.692 39 HB2 LYS 6 2HB LYS 6 -0.053 -5.617 -6.596 40 HB3 LYS 6 3HB LYS 6 -0.069 -7.165 -7.431 41 HG2 LYS 6 2HG LYS 6 1.424 -8.092 -5.724 42 HG3 LYS 6 3HG LYS 6 1.406 -6.542 -4.880 43 HD2 LYS 6 2HD LYS 6 -1.284 -7.344 -5.382 44 HD3 LYS 6 3HD LYS 6 -0.420 -8.694 -4.643 45 HE2 LYS 6 2HE LYS 6 0.230 -7.342 -2.779 46 HE3 LYS 6 3HE LYS 6 -0.386 -5.884 -3.556 47 HZ1 LYS 6 1HZ LYS 6 -2.336 -6.262 -2.614 48 HZ2 LYS 6 2HZ LYS 6 -1.756 -7.680 -1.898 49 HZ3 LYS 6 3HZ LYS 6 -2.470 -7.739 -3.430 50 H VAL 7 H VAL 7 1.366 -3.723 -8.420 51 HA VAL 7 HA VAL 7 0.039 -4.359 -10.874 52 HB VAL 7 HB VAL 7 1.144 -1.717 -9.908 53 HG11 VAL 7 1HG1 VAL 7 -0.484 -0.769 -11.554 54 HG12 VAL 7 2HG1 VAL 7 0.879 -1.623 -12.280 55 HG13 VAL 7 3HG1 VAL 7 -0.703 -2.399 -12.189 56 HG21 VAL 7 1HG2 VAL 7 -1.675 -1.775 -9.877 57 HG22 VAL 7 2HG2 VAL 7 -1.123 -3.251 -9.085 58 HG23 VAL 7 3HG2 VAL 7 -0.575 -1.680 -8.502 59 H ILE 8 H ILE 8 3.288 -3.324 -9.975 60 HA ILE 8 HA ILE 8 4.155 -3.106 -12.721 61 HB ILE 8 HB ILE 8 5.765 -3.048 -10.166 62 HG12 ILE 8 2HG1 ILE 8 5.559 -0.568 -11.660 63 HG13 ILE 8 3HG1 ILE 8 3.971 -1.166 -11.189 64 HG21 ILE 8 1HG2 ILE 8 7.131 -3.703 -12.063 65 HG22 ILE 8 2HG2 ILE 8 6.542 -2.322 -12.987 66 HG23 ILE 8 3HG2 ILE 8 7.536 -2.063 -11.554 67 HD11 ILE 8 1HD1 ILE 8 6.274 -0.388 -9.444 68 HD12 ILE 8 2HD1 ILE 8 4.619 0.223 -9.440 69 HD13 ILE 8 3HD1 ILE 8 4.961 -1.403 -8.848 70 H SER 9 H SER 9 4.081 -5.530 -10.254 71 HA SER 9 HA SER 9 6.137 -7.196 -11.315 72 HB2 SER 9 2HB SER 9 5.610 -7.540 -9.031 73 HB3 SER 9 3HB SER 9 3.883 -7.669 -9.367 74 HG SER 9 HG SER 9 5.881 -9.568 -9.576 75 H SER 10 H SER 10 3.057 -6.444 -12.399 76 HA SER 10 HA SER 10 2.842 -8.973 -13.893 77 HB2 SER 10 2HB SER 10 0.856 -8.724 -12.634 78 HB3 SER 10 3HB SER 10 0.751 -7.000 -12.987 79 HG SER 10 HG SER 10 -0.651 -7.822 -14.393 80 H ALA 11 H ALA 11 3.305 -5.581 -14.129 81 HA ALA 11 HA ALA 11 2.609 -5.435 -16.940 82 HB1 ALA 11 1HB ALA 11 4.045 -3.280 -15.436 83 HB2 ALA 11 2HB ALA 11 2.914 -3.138 -16.782 84 HB3 ALA 11 3HB ALA 11 2.325 -3.572 -15.178 85 H CYS 12 H CYS 12 5.378 -6.086 -15.016 86 HA CYS 12 HA CYS 12 7.287 -5.394 -17.079 87 HB2 CYS 12 2HB CYS 12 7.455 -6.469 -14.294 88 HB3 CYS 12 3HB CYS 12 8.829 -6.688 -15.371 89 HG CYS 12 HG CYS 12 7.498 -3.727 -14.305 90 H LYS 13 H LYS 13 5.940 -8.329 -15.631 91 HA LYS 13 HA LYS 13 7.496 -10.216 -16.968 92 HB2 LYS 13 2HB LYS 13 5.398 -11.691 -16.675 93 HB3 LYS 13 3HB LYS 13 6.184 -11.064 -15.232 94 HG2 LYS 13 2HG LYS 13 4.366 -9.949 -14.613 95 HG3 LYS 13 3HG LYS 13 4.146 -9.260 -16.223 96 HD2 LYS 13 2HD LYS 13 3.331 -12.050 -15.413 97 HD3 LYS 13 3HD LYS 13 2.241 -10.665 -15.499 98 HE2 LYS 13 2HE LYS 13 2.034 -10.856 -17.712 99 HE3 LYS 13 3HE LYS 13 3.778 -10.989 -17.935 100 HZ1 LYS 13 1HZ LYS 13 3.424 -13.102 -18.450 101 HZ2 LYS 13 2HZ LYS 13 1.802 -13.033 -17.975 102 HZ3 LYS 13 3HZ LYS 13 3.003 -13.384 -16.836 103 H THR 14 H THR 14 4.667 -8.427 -18.017 104 HA THR 14 HA THR 14 4.377 -9.949 -20.455 105 HB THR 14 HB THR 14 3.025 -7.436 -19.468 106 HG1 THR 14 HG1 THR 14 1.207 -9.034 -19.575 107 HG21 THR 14 1HG2 THR 14 3.146 -8.570 -22.148 108 HG22 THR 14 2HG2 THR 14 2.530 -7.007 -21.610 109 HG23 THR 14 3HG2 THR 14 1.498 -8.435 -21.539 110 H TYR 15 H TYR 15 5.457 -6.684 -19.565 111 HA TYR 15 HA TYR 15 6.173 -6.013 -22.265 112 HB2 TYR 15 2HB TYR 15 6.586 -4.661 -19.605 113 HB3 TYR 15 3HB TYR 15 7.278 -4.019 -21.090 114 HD1 TYR 15 HD1 TYR 15 3.957 -5.350 -19.981 115 HD2 TYR 15 HD2 TYR 15 6.089 -2.298 -22.042 116 HE1 TYR 15 HE1 TYR 15 1.835 -4.203 -20.466 117 HE2 TYR 15 HE2 TYR 15 3.973 -1.142 -22.531 118 HH TYR 15 HH TYR 15 1.009 -2.552 -22.283 119 H CYS 16 H CYS 16 8.278 -5.831 -19.413 120 HA CYS 16 HA CYS 16 10.675 -6.085 -20.754 121 HB2 CYS 16 2HB CYS 16 9.832 -6.668 -17.940 122 HB3 CYS 16 3HB CYS 16 11.460 -7.086 -18.458 123 HG CYS 16 HG CYS 16 10.146 -3.932 -18.654 124 H GLY 17 H GLY 17 8.412 -8.559 -19.812 125 HA2 GLY 17 2HA GLY 17 8.282 -10.709 -20.722 126 HA3 GLY 17 3HA GLY 17 9.896 -10.500 -21.386 127 H LYS 18 H LYS 18 11.158 -12.053 -20.615 128 HA LYS 18 HA LYS 18 10.755 -13.070 -17.918 129 HB2 LYS 18 2HB LYS 18 11.184 -14.520 -19.988 130 HB3 LYS 18 3HB LYS 18 12.855 -13.983 -19.876 131 HG2 LYS 18 2HG LYS 18 12.484 -14.807 -17.353 132 HG3 LYS 18 3HG LYS 18 11.352 -15.874 -18.187 133 HD2 LYS 18 2HD LYS 18 13.795 -15.758 -19.666 134 HD3 LYS 18 3HD LYS 18 14.157 -16.127 -17.978 135 HE2 LYS 18 2HE LYS 18 13.120 -18.141 -18.056 136 HE3 LYS 18 3HE LYS 18 11.890 -17.584 -19.190 137 HZ1 LYS 18 1HZ LYS 18 14.223 -19.044 -19.730 138 HZ2 LYS 18 2HZ LYS 18 14.348 -17.548 -20.509 139 HZ3 LYS 18 3HZ LYS 18 13.019 -18.550 -20.811 140 H THR 19 H THR 19 11.569 -10.491 -17.772 141 HA THR 19 HA THR 19 14.171 -10.771 -16.499 142 HB THR 19 HB THR 19 14.370 -8.280 -17.763 143 HG1 THR 19 HG1 THR 19 13.486 -8.521 -19.661 144 HG21 THR 19 1HG2 THR 19 15.747 -10.901 -17.865 145 HG22 THR 19 2HG2 THR 19 16.385 -9.299 -17.496 146 HG23 THR 19 3HG2 THR 19 16.095 -9.768 -19.170 147 H SER 20 H SER 20 11.209 -10.139 -15.946 148 HA SER 20 HA SER 20 10.967 -7.497 -15.059 149 HB2 SER 20 2HB SER 20 9.222 -8.563 -13.453 150 HB3 SER 20 3HB SER 20 8.947 -8.671 -15.192 151 HG SER 20 HG SER 20 8.692 -10.672 -13.945 152 HA PRO 21 HA PRO 21 13.293 -7.218 -11.350 153 HB2 PRO 21 2HB PRO 21 11.696 -5.661 -9.802 154 HB3 PRO 21 3HB PRO 21 12.586 -5.037 -11.196 155 HG2 PRO 21 2HG PRO 21 9.711 -5.845 -10.992 156 HG3 PRO 21 3HG PRO 21 10.422 -4.432 -11.794 157 HD2 PRO 21 2HD PRO 21 9.656 -6.646 -13.152 158 HD3 PRO 21 3HD PRO 21 11.026 -5.639 -13.662 159 H SER 22 H SER 22 13.111 -7.466 -8.908 160 HA SER 22 HA SER 22 11.338 -9.742 -8.326 161 HB2 SER 22 2HB SER 22 13.846 -10.097 -8.235 162 HB3 SER 22 3HB SER 22 13.870 -9.010 -6.847 163 HG SER 22 HG SER 22 13.087 -11.623 -7.008 164 H LYS 23 H LYS 23 10.535 -9.930 -6.114 165 HA LYS 23 HA LYS 23 9.148 -7.689 -5.254 166 HB2 LYS 23 2HB LYS 23 9.956 -10.139 -3.677 167 HB3 LYS 23 3HB LYS 23 8.760 -8.963 -3.148 168 HG2 LYS 23 2HG LYS 23 7.626 -9.513 -5.431 169 HG3 LYS 23 3HG LYS 23 8.592 -10.987 -5.329 170 HD2 LYS 23 2HD LYS 23 7.171 -10.281 -2.859 171 HD3 LYS 23 3HD LYS 23 6.123 -10.666 -4.227 172 HE2 LYS 23 2HE LYS 23 7.642 -12.727 -4.523 173 HE3 LYS 23 3HE LYS 23 8.177 -12.385 -2.879 174 HZ1 LYS 23 1HZ LYS 23 5.306 -12.421 -3.266 175 HZ2 LYS 23 2HZ LYS 23 6.239 -13.072 -2.014 176 HZ3 LYS 23 3HZ LYS 23 6.074 -13.914 -3.473 177 H LYS 24 H LYS 24 12.229 -8.993 -4.095 178 HA LYS 24 HA LYS 24 12.562 -7.122 -1.990 179 HB2 LYS 24 2HB LYS 24 13.778 -9.223 -1.992 180 HB3 LYS 24 3HB LYS 24 14.586 -8.791 -3.494 181 HG2 LYS 24 2HG LYS 24 16.104 -8.478 -1.669 182 HG3 LYS 24 3HG LYS 24 15.664 -6.898 -2.322 183 HD2 LYS 24 2HD LYS 24 15.634 -6.773 0.077 184 HD3 LYS 24 3HD LYS 24 13.972 -6.686 -0.511 185 HE2 LYS 24 2HE LYS 24 13.461 -8.385 0.825 186 HE3 LYS 24 3HE LYS 24 14.527 -9.412 -0.132 187 HZ1 LYS 24 1HZ LYS 24 15.026 -8.096 2.436 188 HZ2 LYS 24 2HZ LYS 24 16.335 -8.310 1.386 189 HZ3 LYS 24 3HZ LYS 24 15.452 -9.650 1.920 190 H GLU 25 H GLU 25 13.422 -7.125 -5.392 191 HA GLU 25 HA GLU 25 15.123 -4.846 -5.284 192 HB2 GLU 25 2HB GLU 25 13.628 -6.100 -7.591 193 HB3 GLU 25 3HB GLU 25 14.810 -4.810 -7.761 194 HG2 GLU 25 2HG GLU 25 16.546 -6.245 -6.869 195 HG3 GLU 25 3HG GLU 25 15.371 -7.535 -6.613 196 H ILE 26 H ILE 26 11.788 -5.259 -6.481 197 HA ILE 26 HA ILE 26 11.235 -2.608 -7.054 198 HB ILE 26 HB ILE 26 9.309 -4.668 -5.972 199 HG12 ILE 26 2HG1 ILE 26 9.859 -3.913 -8.846 200 HG13 ILE 26 3HG1 ILE 26 10.602 -5.295 -8.047 201 HG21 ILE 26 1HG2 ILE 26 8.413 -2.413 -5.814 202 HG22 ILE 26 2HG2 ILE 26 8.797 -2.126 -7.510 203 HG23 ILE 26 3HG2 ILE 26 7.580 -3.324 -7.073 204 HD11 ILE 26 1HD1 ILE 26 7.664 -5.140 -7.907 205 HD12 ILE 26 2HD1 ILE 26 8.363 -5.451 -9.496 206 HD13 ILE 26 3HD1 ILE 26 8.724 -6.529 -8.148 207 H GLY 27 H GLY 27 11.155 -4.291 -3.966 208 HA2 GLY 27 2HA GLY 27 9.893 -2.150 -2.540 209 HA3 GLY 27 3HA GLY 27 10.691 -3.546 -1.832 210 H ALA 28 H ALA 28 13.126 -2.805 -3.526 211 HA ALA 28 HA ALA 28 14.246 -0.962 -1.555 212 HB1 ALA 28 1HB ALA 28 15.570 -2.703 -3.629 213 HB2 ALA 28 2HB ALA 28 16.429 -1.641 -2.512 214 HB3 ALA 28 3HB ALA 28 15.486 -2.996 -1.891 215 H MET 29 H MET 29 12.732 -0.669 -4.430 216 HA MET 29 HA MET 29 14.447 1.534 -5.356 217 HB2 MET 29 2HB MET 29 14.007 -0.233 -7.016 218 HB3 MET 29 3HB MET 29 12.279 0.044 -6.846 219 HG2 MET 29 2HG MET 29 13.962 2.371 -7.557 220 HG3 MET 29 3HG MET 29 13.726 1.130 -8.785 221 HE1 MET 29 1HE MET 29 9.827 0.905 -8.836 222 HE2 MET 29 2HE MET 29 11.072 0.850 -10.084 223 HE3 MET 29 3HE MET 29 11.285 -0.056 -8.585 224 H LEU 30 H LEU 30 11.061 0.652 -4.756 225 HA LEU 30 HA LEU 30 9.818 3.042 -5.314 226 HB2 LEU 30 2HB LEU 30 9.270 0.755 -3.544 227 HB3 LEU 30 3HB LEU 30 8.423 2.245 -3.136 228 HG LEU 30 HG LEU 30 7.349 2.289 -5.286 229 HD11 LEU 30 1HD1 LEU 30 9.459 0.393 -5.969 230 HD12 LEU 30 2HD1 LEU 30 8.534 1.484 -7.000 231 HD13 LEU 30 3HD1 LEU 30 7.863 -0.084 -6.551 232 HD21 LEU 30 1HD2 LEU 30 5.901 0.454 -5.041 233 HD22 LEU 30 2HD2 LEU 30 6.496 0.793 -3.415 234 HD23 LEU 30 3HD2 LEU 30 7.164 -0.556 -4.336 235 H SER 31 H SER 31 10.669 2.052 -1.994 236 HA SER 31 HA SER 31 10.331 4.525 -0.801 237 HB2 SER 31 2HB SER 31 10.634 3.000 0.853 238 HB3 SER 31 3HB SER 31 11.738 2.024 -0.115 239 HG SER 31 HG SER 31 12.285 3.941 1.739 240 H LEU 32 H LEU 32 12.985 3.331 -2.703 241 HA LEU 32 HA LEU 32 15.001 5.103 -1.919 242 HB2 LEU 32 2HB LEU 32 14.924 3.046 -3.597 243 HB3 LEU 32 3HB LEU 32 14.781 4.344 -4.781 244 HG LEU 32 HG LEU 32 17.096 3.550 -4.492 245 HD11 LEU 32 1HD1 LEU 32 17.043 6.316 -3.387 246 HD12 LEU 32 2HD1 LEU 32 16.332 6.007 -4.971 247 HD13 LEU 32 3HD1 LEU 32 18.031 5.635 -4.680 248 HD21 LEU 32 1HD2 LEU 32 17.722 4.838 -2.030 249 HD22 LEU 32 2HD2 LEU 32 17.943 3.147 -2.483 250 HD23 LEU 32 3HD2 LEU 32 16.428 3.673 -1.747 251 H LEU 33 H LEU 33 12.756 5.371 -4.678 252 HA LEU 33 HA LEU 33 13.546 7.950 -5.454 253 HB2 LEU 33 2HB LEU 33 10.762 6.895 -5.809 254 HB3 LEU 33 3HB LEU 33 11.677 7.966 -6.869 255 HG LEU 33 HG LEU 33 12.059 5.001 -6.488 256 HD11 LEU 33 1HD1 LEU 33 10.236 5.494 -7.948 257 HD12 LEU 33 2HD1 LEU 33 11.608 5.001 -8.941 258 HD13 LEU 33 3HD1 LEU 33 11.184 6.708 -8.810 259 HD21 LEU 33 1HD2 LEU 33 13.704 6.920 -8.135 260 HD22 LEU 33 2HD2 LEU 33 13.876 5.165 -8.098 261 HD23 LEU 33 3HD2 LEU 33 14.233 6.116 -6.656 262 H GLN 34 H GLN 34 11.618 6.868 -2.835 263 HA GLN 34 HA GLN 34 10.192 9.346 -2.472 264 HB2 GLN 34 2HB GLN 34 10.119 6.683 -1.352 265 HB3 GLN 34 3HB GLN 34 10.104 7.892 -0.075 266 HG2 GLN 34 2HG GLN 34 8.272 8.963 -1.696 267 HG3 GLN 34 3HG GLN 34 8.072 7.264 -2.121 268 HE21 GLN 34 1HE2 GLN 34 6.467 6.385 -1.051 269 HE22 GLN 34 2HE2 GLN 34 6.045 6.689 0.597 270 H LYS 35 H LYS 35 12.991 7.741 -1.040 271 HA LYS 35 HA LYS 35 13.413 9.823 0.904 272 HB2 LYS 35 2HB LYS 35 15.481 8.591 1.436 273 HB3 LYS 35 3HB LYS 35 14.069 7.542 1.432 274 HG2 LYS 35 2HG LYS 35 14.668 6.710 -0.771 275 HG3 LYS 35 3HG LYS 35 16.061 7.793 -0.813 276 HD2 LYS 35 2HD LYS 35 15.925 6.087 1.568 277 HD3 LYS 35 3HD LYS 35 16.113 5.205 0.051 278 HE2 LYS 35 2HE LYS 35 18.034 6.677 -0.503 279 HE3 LYS 35 3HE LYS 35 17.878 7.420 1.088 280 HZ1 LYS 35 1HZ LYS 35 17.989 4.821 1.717 281 HZ2 LYS 35 2HZ LYS 35 19.335 5.844 1.678 282 HZ3 LYS 35 3HZ LYS 35 18.987 4.853 0.351 283 H GLU 36 H GLU 36 14.723 8.933 -2.237 284 HA GLU 36 HA GLU 36 16.924 10.678 -2.265 285 HB2 GLU 36 2HB GLU 36 15.512 9.002 -4.161 286 HB3 GLU 36 3HB GLU 36 16.014 10.514 -4.904 287 HG2 GLU 36 2HG GLU 36 17.906 8.800 -3.329 288 HG3 GLU 36 3HG GLU 36 17.618 8.556 -5.051 289 H GLY 37 H GLY 37 13.543 11.254 -2.600 290 HA2 GLY 37 2HA GLY 37 12.601 13.418 -2.363 291 HA3 GLY 37 3HA GLY 37 14.099 14.108 -2.968 292 H LEU 38 H LEU 38 12.382 11.446 -4.485 293 HA LEU 38 HA LEU 38 12.028 13.123 -6.863 294 HB2 LEU 38 2HB LEU 38 11.852 10.128 -6.562 295 HB3 LEU 38 3HB LEU 38 11.740 11.022 -8.076 296 HG LEU 38 HG LEU 38 14.201 11.126 -6.355 297 HD11 LEU 38 1HD1 LEU 38 14.598 8.988 -6.804 298 HD12 LEU 38 2HD1 LEU 38 14.726 9.442 -8.503 299 HD13 LEU 38 3HD1 LEU 38 13.185 8.879 -7.855 300 HD21 LEU 38 1HD2 LEU 38 15.025 11.391 -8.886 301 HD22 LEU 38 2HD2 LEU 38 14.515 12.757 -7.894 302 HD23 LEU 38 3HD2 LEU 38 13.393 12.038 -9.049 303 H LEU 39 H LEU 39 10.218 10.403 -5.430 304 HA LEU 39 HA LEU 39 7.736 11.865 -6.046 305 HB2 LEU 39 2HB LEU 39 6.756 9.467 -5.828 306 HB3 LEU 39 3HB LEU 39 7.565 9.962 -7.313 307 HG LEU 39 HG LEU 39 9.638 8.823 -6.405 308 HD11 LEU 39 1HD1 LEU 39 9.067 6.979 -4.750 309 HD12 LEU 39 2HD1 LEU 39 7.613 7.906 -4.386 310 HD13 LEU 39 3HD1 LEU 39 9.203 8.616 -4.108 311 HD21 LEU 39 1HD2 LEU 39 7.761 6.621 -6.631 312 HD22 LEU 39 2HD2 LEU 39 9.075 7.103 -7.705 313 HD23 LEU 39 3HD2 LEU 39 7.489 7.863 -7.853 314 H MET 40 H MET 40 5.867 11.179 -4.588 315 HA MET 40 HA MET 40 6.811 11.296 -1.814 316 HB2 MET 40 2HB MET 40 4.398 12.292 -3.241 317 HB3 MET 40 3HB MET 40 4.209 11.830 -1.554 318 HG2 MET 40 2HG MET 40 6.545 13.493 -1.992 319 HG3 MET 40 3HG MET 40 5.050 14.274 -2.501 320 HE1 MET 40 1HE MET 40 7.301 14.050 0.720 321 HE2 MET 40 2HE MET 40 6.299 12.952 1.669 322 HE3 MET 40 3HE MET 40 6.949 12.431 0.114 323 H SER 41 H SER 41 5.063 9.327 -4.053 324 HA SER 41 HA SER 41 4.791 7.265 -1.999 325 HB2 SER 41 2HB SER 41 2.459 6.870 -3.342 326 HB3 SER 41 3HB SER 41 2.583 7.765 -1.828 327 HG SER 41 HG SER 41 2.079 9.519 -2.860 328 HA PRO 42 HA PRO 42 6.070 4.480 -5.136 329 HB2 PRO 42 2HB PRO 42 4.615 2.256 -4.581 330 HB3 PRO 42 3HB PRO 42 5.955 2.805 -3.567 331 HG2 PRO 42 2HG PRO 42 3.010 3.186 -3.186 332 HG3 PRO 42 3HG PRO 42 4.246 2.754 -1.990 333 HD2 PRO 42 2HD PRO 42 3.278 5.271 -2.241 334 HD3 PRO 42 3HD PRO 42 4.949 4.936 -1.744 335 H SER 43 H SER 43 2.741 5.351 -4.911 336 HA SER 43 HA SER 43 1.921 3.975 -7.307 337 HB2 SER 43 2HB SER 43 -0.107 5.648 -6.938 338 HB3 SER 43 3HB SER 43 0.097 4.221 -5.922 339 HG SER 43 HG SER 43 -0.135 6.608 -5.053 340 H ASP 44 H ASP 44 3.678 6.743 -6.685 341 HA ASP 44 HA ASP 44 2.718 8.519 -8.657 342 HB2 ASP 44 2HB ASP 44 4.555 8.723 -6.686 343 HB3 ASP 44 3HB ASP 44 5.621 8.541 -8.076 344 H LEU 45 H LEU 45 4.364 5.569 -8.914 345 HA LEU 45 HA LEU 45 5.963 5.948 -11.174 346 HB2 LEU 45 2HB LEU 45 4.838 3.706 -9.703 347 HB3 LEU 45 3HB LEU 45 4.975 3.380 -11.430 348 HG LEU 45 HG LEU 45 7.398 4.018 -11.261 349 HD11 LEU 45 1HD1 LEU 45 6.560 4.473 -8.483 350 HD12 LEU 45 2HD1 LEU 45 7.894 5.173 -9.400 351 HD13 LEU 45 3HD1 LEU 45 8.065 3.573 -8.678 352 HD21 LEU 45 1HD2 LEU 45 8.079 1.885 -10.462 353 HD22 LEU 45 2HD2 LEU 45 6.509 1.670 -11.236 354 HD23 LEU 45 3HD2 LEU 45 6.626 1.719 -9.476 355 H TYR 46 H TYR 46 2.551 5.865 -10.846 356 HA TYR 46 HA TYR 46 2.030 5.185 -13.606 357 HB2 TYR 46 2HB TYR 46 0.096 6.300 -11.570 358 HB3 TYR 46 3HB TYR 46 -0.298 5.444 -13.057 359 HD1 TYR 46 HD1 TYR 46 -0.858 4.937 -9.920 360 HD2 TYR 46 HD2 TYR 46 1.649 3.190 -12.882 361 HE1 TYR 46 HE1 TYR 46 -0.886 2.811 -8.682 362 HE2 TYR 46 HE2 TYR 46 1.626 1.059 -11.653 363 HH TYR 46 HH TYR 46 0.291 0.794 -8.461 364 H SER 47 H SER 47 3.312 7.825 -12.269 365 HA SER 47 HA SER 47 1.865 9.710 -14.007 366 HB2 SER 47 2HB SER 47 1.979 10.226 -11.542 367 HB3 SER 47 3HB SER 47 3.724 10.399 -11.723 368 HG SER 47 HG SER 47 2.161 12.322 -11.964 369 HA PRO 48 HA PRO 48 5.825 9.055 -16.228 370 HB2 PRO 48 2HB PRO 48 4.747 9.455 -18.687 371 HB3 PRO 48 3HB PRO 48 4.701 7.893 -17.860 372 HG2 PRO 48 2HG PRO 48 2.574 9.989 -18.071 373 HG3 PRO 48 3HG PRO 48 2.428 8.229 -18.222 374 HD2 PRO 48 2HD PRO 48 1.766 9.556 -15.957 375 HD3 PRO 48 3HD PRO 48 2.423 7.907 -15.940 376 H GLY 49 H GLY 49 6.106 11.211 -14.996 377 HA2 GLY 49 2HA GLY 49 6.545 13.264 -17.004 378 HA3 GLY 49 3HA GLY 49 5.429 13.698 -15.718 379 H SER 50 H SER 50 7.907 11.538 -14.804 380 HA SER 50 HA SER 50 9.751 13.636 -14.003 381 HB2 SER 50 2HB SER 50 7.939 12.225 -12.127 382 HB3 SER 50 3HB SER 50 9.620 12.382 -11.616 383 HG SER 50 HG SER 50 8.099 14.155 -11.068 384 H TRP 51 H TRP 51 9.455 10.952 -15.541 385 HA TRP 51 HA TRP 51 11.302 9.187 -14.249 386 HB2 TRP 51 2HB TRP 51 10.258 9.240 -17.088 387 HB3 TRP 51 3HB TRP 51 11.232 7.942 -16.403 388 HD1 TRP 51 HD1 TRP 51 9.339 8.481 -13.549 389 HE1 TRP 51 HE1 TRP 51 7.135 7.153 -13.481 390 HE3 TRP 51 HE3 TRP 51 8.932 7.328 -18.513 391 HZ2 TRP 51 HZ2 TRP 51 5.447 5.796 -15.291 392 HZ3 TRP 51 HZ3 TRP 51 6.993 6.012 -19.263 393 HH2 TRP 51 HH2 TRP 51 5.288 5.262 -17.684 394 H ASP 52 H ASP 52 11.530 11.777 -16.573 395 HA ASP 52 HA ASP 52 13.976 11.284 -17.757 396 HB2 ASP 52 2HB ASP 52 12.277 13.603 -17.316 397 HB3 ASP 52 3HB ASP 52 13.985 14.031 -17.309 398 HA PRO 53 HA PRO 53 16.199 13.556 -14.121 399 HB2 PRO 53 2HB PRO 53 14.733 14.087 -11.899 400 HB3 PRO 53 3HB PRO 53 14.862 15.212 -13.256 401 HG2 PRO 53 2HG PRO 53 12.671 13.281 -12.599 402 HG3 PRO 53 3HG PRO 53 12.553 14.959 -13.158 403 HD2 PRO 53 2HD PRO 53 12.224 12.845 -14.817 404 HD3 PRO 53 3HD PRO 53 12.921 14.385 -15.359 405 H ILE 54 H ILE 54 13.562 11.507 -12.872 406 HA ILE 54 HA ILE 54 14.956 10.293 -10.794 407 HB ILE 54 HB ILE 54 12.719 9.210 -12.505 408 HG12 ILE 54 2HG1 ILE 54 12.641 10.210 -9.657 409 HG13 ILE 54 3HG1 ILE 54 12.357 11.258 -11.042 410 HG21 ILE 54 1HG2 ILE 54 13.858 7.317 -11.583 411 HG22 ILE 54 2HG2 ILE 54 13.937 8.076 -9.994 412 HG23 ILE 54 3HG2 ILE 54 12.381 7.574 -10.655 413 HD11 ILE 54 1HD1 ILE 54 10.215 10.718 -10.681 414 HD12 ILE 54 2HD1 ILE 54 10.631 9.253 -11.572 415 HD13 ILE 54 3HD1 ILE 54 10.625 9.241 -9.809 416 H THR 55 H THR 55 14.924 9.577 -14.226 417 HA THR 55 HA THR 55 16.306 7.079 -13.991 418 HB THR 55 HB THR 55 15.867 8.873 -16.385 419 HG1 THR 55 HG1 THR 55 14.022 7.849 -16.531 420 HG21 THR 55 1HG2 THR 55 17.511 6.491 -16.033 421 HG22 THR 55 2HG2 THR 55 17.462 7.644 -17.367 422 HG23 THR 55 3HG2 THR 55 16.308 6.312 -17.309 423 H ALA 56 H ALA 56 17.288 10.267 -15.263 424 HA ALA 56 HA ALA 56 19.994 9.670 -15.603 425 HB1 ALA 56 1HB ALA 56 19.141 12.422 -14.821 426 HB2 ALA 56 2HB ALA 56 20.308 11.910 -16.041 427 HB3 ALA 56 3HB ALA 56 18.580 11.733 -16.345 428 H ALA 57 H ALA 57 18.190 10.527 -12.751 429 HA ALA 57 HA ALA 57 20.423 11.251 -11.134 430 HB1 ALA 57 1HB ALA 57 17.655 10.349 -10.345 431 HB2 ALA 57 2HB ALA 57 18.849 11.055 -9.255 432 HB3 ALA 57 3HB ALA 57 18.189 12.014 -10.580 433 H LEU 58 H LEU 58 18.341 8.348 -11.080 434 HA LEU 58 HA LEU 58 19.911 6.873 -9.302 435 HB2 LEU 58 2HB LEU 58 18.120 5.874 -11.512 436 HB3 LEU 58 3HB LEU 58 18.729 4.902 -10.174 437 HG LEU 58 HG LEU 58 16.977 7.314 -9.762 438 HD11 LEU 58 1HD1 LEU 58 15.275 6.173 -10.617 439 HD12 LEU 58 2HD1 LEU 58 15.469 5.021 -9.297 440 HD13 LEU 58 3HD1 LEU 58 16.271 4.734 -10.841 441 HD21 LEU 58 1HD2 LEU 58 16.587 6.344 -7.592 442 HD22 LEU 58 2HD2 LEU 58 18.325 6.493 -7.855 443 HD23 LEU 58 3HD2 LEU 58 17.540 4.921 -8.015 444 H SER 59 H SER 59 20.285 7.488 -12.690 445 HA SER 59 HA SER 59 22.078 5.311 -13.204 446 HB2 SER 59 2HB SER 59 20.968 6.069 -15.124 447 HB3 SER 59 3HB SER 59 21.249 7.765 -14.731 448 HG SER 59 HG SER 59 22.687 6.244 -16.307 449 H GLN 60 H GLN 60 22.372 8.528 -11.973 450 HA GLN 60 HA GLN 60 25.220 8.696 -12.451 451 HB2 GLN 60 2HB GLN 60 24.046 10.765 -12.546 452 HB3 GLN 60 3HB GLN 60 23.257 10.468 -11.002 453 HG2 GLN 60 2HG GLN 60 24.921 11.402 -9.879 454 HG3 GLN 60 3HG GLN 60 26.127 10.435 -10.727 455 HE21 GLN 60 1HE2 GLN 60 26.338 11.193 -13.129 456 HE22 GLN 60 2HE2 GLN 60 26.563 12.894 -13.324 457 H ARG 61 H ARG 61 23.049 8.083 -9.738 458 HA ARG 61 HA ARG 61 24.912 8.122 -7.664 459 HB2 ARG 61 2HB ARG 61 22.327 7.890 -7.603 460 HB3 ARG 61 3HB ARG 61 22.636 6.163 -7.719 461 HG2 ARG 61 2HG ARG 61 24.074 6.363 -5.688 462 HG3 ARG 61 3HG ARG 61 23.526 8.034 -5.540 463 HD2 ARG 61 2HD ARG 61 21.264 7.341 -5.233 464 HD3 ARG 61 3HD ARG 61 21.659 5.674 -5.649 465 HE ARG 61 HE ARG 61 23.212 6.127 -3.497 466 HH11 ARG 61 1HH1 ARG 61 19.823 6.632 -4.110 467 HH12 ARG 61 2HH1 ARG 61 19.354 6.385 -2.461 468 HH21 ARG 61 1HH2 ARG 61 22.607 5.799 -1.322 469 HH22 ARG 61 2HH2 ARG 61 20.938 5.912 -0.876 470 H ALA 62 H ALA 62 23.801 5.368 -9.629 471 HA ALA 62 HA ALA 62 25.383 3.399 -8.444 472 HB1 ALA 62 1HB ALA 62 23.511 2.979 -10.013 473 HB2 ALA 62 2HB ALA 62 24.547 3.513 -11.338 474 HB3 ALA 62 3HB ALA 62 24.973 2.075 -10.409 475 H MET 63 H MET 63 26.236 5.961 -10.587 476 HA MET 63 HA MET 63 28.739 4.735 -11.396 477 HB2 MET 63 2HB MET 63 27.356 7.323 -12.017 478 HB3 MET 63 3HB MET 63 29.063 7.123 -12.391 479 HG2 MET 63 2HG MET 63 28.012 4.856 -13.455 480 HG3 MET 63 3HG MET 63 26.700 6.005 -13.703 481 HE1 MET 63 1HE MET 63 28.514 8.723 -13.925 482 HE2 MET 63 2HE MET 63 28.594 8.856 -15.682 483 HE3 MET 63 3HE MET 63 27.082 8.391 -14.900 484 H ILE 64 H ILE 64 27.575 7.151 -9.140 485 HA ILE 64 HA ILE 64 30.216 8.051 -8.419 486 HB ILE 64 HB ILE 64 27.565 8.549 -7.060 487 HG12 ILE 64 2HG1 ILE 64 29.118 10.480 -8.772 488 HG13 ILE 64 3HG1 ILE 64 27.934 9.379 -9.468 489 HG21 ILE 64 1HG2 ILE 64 28.845 9.275 -5.379 490 HG22 ILE 64 2HG2 ILE 64 30.308 9.236 -6.361 491 HG23 ILE 64 3HG2 ILE 64 29.235 10.633 -6.433 492 HD11 ILE 64 1HD1 ILE 64 26.160 10.406 -8.352 493 HD12 ILE 64 2HD1 ILE 64 27.234 11.232 -7.222 494 HD13 ILE 64 3HD1 ILE 64 27.172 11.737 -8.911 495 H LEU 65 H LEU 65 28.008 5.598 -7.385 496 HA LEU 65 HA LEU 65 29.624 5.086 -4.985 497 HB2 LEU 65 2HB LEU 65 26.797 4.679 -5.694 498 HB3 LEU 65 3HB LEU 65 27.541 3.369 -4.780 499 HG LEU 65 HG LEU 65 26.393 4.892 -3.290 500 HD11 LEU 65 1HD1 LEU 65 28.901 3.939 -2.946 501 HD12 LEU 65 2HD1 LEU 65 27.980 4.788 -1.705 502 HD13 LEU 65 3HD1 LEU 65 29.161 5.663 -2.680 503 HD21 LEU 65 1HD2 LEU 65 26.774 6.870 -4.907 504 HD22 LEU 65 2HD2 LEU 65 28.295 7.081 -4.039 505 HD23 LEU 65 3HD2 LEU 65 26.762 7.181 -3.171 506 H GLY 66 H GLY 66 28.128 3.427 -7.755 507 HA2 GLY 66 2HA GLY 66 29.202 1.790 -9.069 508 HA3 GLY 66 3HA GLY 66 30.385 1.570 -7.787 509 H LYS 67 H LYS 67 26.847 1.488 -7.589 510 HA LYS 67 HA LYS 67 27.042 -1.347 -6.809 511 HB2 LYS 67 2HB LYS 67 25.005 -0.814 -5.339 512 HB3 LYS 67 3HB LYS 67 26.580 -0.264 -4.782 513 HG2 LYS 67 2HG LYS 67 26.077 1.975 -5.709 514 HG3 LYS 67 3HG LYS 67 24.460 1.400 -6.125 515 HD2 LYS 67 2HD LYS 67 24.132 0.838 -3.707 516 HD3 LYS 67 3HD LYS 67 25.670 1.638 -3.372 517 HE2 LYS 67 2HE LYS 67 24.840 3.738 -4.017 518 HE3 LYS 67 3HE LYS 67 23.447 3.031 -4.833 519 HZ1 LYS 67 1HZ LYS 67 23.782 3.741 -2.072 520 HZ2 LYS 67 2HZ LYS 67 23.171 2.177 -2.277 521 HZ3 LYS 67 3HZ LYS 67 22.362 3.497 -2.960 522 H SER 68 H SER 68 24.856 1.182 -8.019 523 HA SER 68 HA SER 68 23.077 1.113 -9.437 524 HB2 SER 68 2HB SER 68 25.136 -0.474 -10.584 525 HB3 SER 68 3HB SER 68 23.606 -1.295 -10.892 526 HG SER 68 HG SER 68 23.475 0.107 -12.460 527 H GLY 69 H GLY 69 23.007 -0.432 -6.888 528 HA2 GLY 69 2HA GLY 69 21.549 -2.829 -7.278 529 HA3 GLY 69 3HA GLY 69 21.623 -1.900 -5.788 530 H GLU 70 H GLU 70 20.405 0.380 -6.213 531 HA GLU 70 HA GLU 70 17.661 -0.343 -6.434 532 HB2 GLU 70 2HB GLU 70 18.806 2.450 -6.386 533 HB3 GLU 70 3HB GLU 70 17.182 1.956 -5.928 534 HG2 GLU 70 2HG GLU 70 17.843 1.684 -3.842 535 HG3 GLU 70 3HG GLU 70 19.011 0.470 -4.360 536 H LEU 71 H LEU 71 19.926 1.389 -8.514 537 HA LEU 71 HA LEU 71 18.080 2.271 -10.438 538 HB2 LEU 71 2HB LEU 71 20.275 3.205 -10.377 539 HB3 LEU 71 3HB LEU 71 21.014 1.624 -10.627 540 HG LEU 71 HG LEU 71 19.856 1.646 -12.910 541 HD11 LEU 71 1HD1 LEU 71 19.918 4.598 -12.781 542 HD12 LEU 71 2HD1 LEU 71 18.548 3.795 -12.015 543 HD13 LEU 71 3HD1 LEU 71 18.887 3.521 -13.723 544 HD21 LEU 71 1HD2 LEU 71 22.150 1.829 -13.007 545 HD22 LEU 71 2HD2 LEU 71 22.180 3.324 -12.073 546 HD23 LEU 71 3HD2 LEU 71 21.646 3.344 -13.754 547 H LYS 72 H LYS 72 19.479 -0.831 -9.836 548 HA LYS 72 HA LYS 72 19.183 -1.992 -12.384 549 HB2 LYS 72 2HB LYS 72 19.887 -2.851 -9.741 550 HB3 LYS 72 3HB LYS 72 18.725 -3.983 -10.420 551 HG2 LYS 72 2HG LYS 72 21.335 -3.151 -11.669 552 HG3 LYS 72 3HG LYS 72 20.988 -4.697 -10.890 553 HD2 LYS 72 2HD LYS 72 18.991 -4.226 -12.858 554 HD3 LYS 72 3HD LYS 72 20.569 -3.941 -13.597 555 HE2 LYS 72 2HE LYS 72 19.748 -6.416 -12.079 556 HE3 LYS 72 3HE LYS 72 19.864 -6.275 -13.832 557 HZ1 LYS 72 1HZ LYS 72 21.940 -6.677 -11.887 558 HZ2 LYS 72 2HZ LYS 72 22.296 -5.444 -12.989 559 HZ3 LYS 72 3HZ LYS 72 21.938 -7.000 -13.547 560 H THR 73 H THR 73 16.917 -1.337 -9.829 561 HA THR 73 HA THR 73 14.855 -3.028 -10.968 562 HB THR 73 HB THR 73 14.283 -0.996 -8.848 563 HG1 THR 73 HG1 THR 73 16.003 -3.201 -8.644 564 HG21 THR 73 1HG2 THR 73 13.011 -3.307 -9.970 565 HG22 THR 73 2HG2 THR 73 12.382 -2.156 -8.790 566 HG23 THR 73 3HG2 THR 73 13.291 -3.566 -8.248 567 H TRP 74 H TRP 74 15.525 0.433 -10.612 568 HA TRP 74 HA TRP 74 13.169 1.452 -11.674 569 HB2 TRP 74 2HB TRP 74 14.872 2.852 -10.596 570 HB3 TRP 74 3HB TRP 74 15.969 2.567 -11.944 571 HD1 TRP 74 HD1 TRP 74 16.083 4.626 -13.440 572 HE1 TRP 74 HE1 TRP 74 14.424 6.410 -14.271 573 HE3 TRP 74 HE3 TRP 74 11.878 3.012 -11.022 574 HZ2 TRP 74 HZ2 TRP 74 11.694 7.049 -13.944 575 HZ3 TRP 74 HZ3 TRP 74 9.784 4.266 -11.333 576 HH2 TRP 74 HH2 TRP 74 9.696 6.242 -12.764 577 H GLY 75 H GLY 75 16.202 0.673 -13.380 578 HA2 GLY 75 2HA GLY 75 15.443 1.383 -15.947 579 HA3 GLY 75 3HA GLY 75 16.586 0.103 -15.571 580 H LEU 76 H LEU 76 14.673 -1.540 -14.152 581 HA LEU 76 HA LEU 76 13.527 -2.870 -16.432 582 HB2 LEU 76 2HB LEU 76 13.881 -3.460 -13.549 583 HB3 LEU 76 3HB LEU 76 12.571 -4.291 -14.386 584 HG LEU 76 HG LEU 76 15.494 -4.400 -15.132 585 HD11 LEU 76 1HD1 LEU 76 15.107 -6.848 -14.487 586 HD12 LEU 76 2HD1 LEU 76 13.682 -6.259 -13.631 587 HD13 LEU 76 3HD1 LEU 76 15.283 -5.670 -13.186 588 HD21 LEU 76 1HD2 LEU 76 13.050 -5.703 -16.316 589 HD22 LEU 76 2HD2 LEU 76 14.698 -6.247 -16.632 590 HD23 LEU 76 3HD2 LEU 76 14.196 -4.626 -17.114 591 H VAL 77 H VAL 77 12.172 -1.599 -13.385 592 HA VAL 77 HA VAL 77 9.485 -1.933 -13.988 593 HB VAL 77 HB VAL 77 10.801 0.211 -12.319 594 HG11 VAL 77 1HG1 VAL 77 8.044 -0.106 -13.136 595 HG12 VAL 77 2HG1 VAL 77 8.217 -0.185 -11.382 596 HG13 VAL 77 3HG1 VAL 77 8.816 1.219 -12.265 597 HG21 VAL 77 1HG2 VAL 77 9.811 -1.295 -10.480 598 HG22 VAL 77 2HG2 VAL 77 9.702 -2.519 -11.745 599 HG23 VAL 77 3HG2 VAL 77 11.269 -1.837 -11.310 600 H LEU 78 H LEU 78 11.492 0.969 -14.488 601 HA LEU 78 HA LEU 78 9.537 2.563 -15.677 602 HB2 LEU 78 2HB LEU 78 12.065 2.978 -14.939 603 HB3 LEU 78 3HB LEU 78 12.322 2.778 -16.671 604 HG LEU 78 HG LEU 78 10.710 4.896 -15.267 605 HD11 LEU 78 1HD1 LEU 78 13.326 4.879 -15.836 606 HD12 LEU 78 2HD1 LEU 78 12.340 6.340 -15.865 607 HD13 LEU 78 3HD1 LEU 78 12.699 5.489 -17.367 608 HD21 LEU 78 1HD2 LEU 78 10.388 5.677 -17.726 609 HD22 LEU 78 2HD2 LEU 78 9.303 4.464 -17.046 610 HD23 LEU 78 3HD2 LEU 78 10.623 3.972 -18.108 611 H GLY 79 H GLY 79 11.736 0.189 -17.096 612 HA2 GLY 79 2HA GLY 79 11.391 0.678 -19.787 613 HA3 GLY 79 3HA GLY 79 11.638 -0.923 -19.105 614 H ALA 80 H ALA 80 9.365 -1.427 -17.749 615 HA ALA 80 HA ALA 80 7.571 -2.222 -19.729 616 HB1 ALA 80 1HB ALA 80 6.474 -1.813 -17.015 617 HB2 ALA 80 2HB ALA 80 6.422 -3.233 -18.062 618 HB3 ALA 80 3HB ALA 80 7.885 -2.865 -17.148 619 H LEU 81 H LEU 81 7.263 0.452 -17.392 620 HA LEU 81 HA LEU 81 4.808 1.425 -18.308 621 HB2 LEU 81 2HB LEU 81 6.987 3.168 -17.199 622 HB3 LEU 81 3HB LEU 81 5.242 3.370 -17.050 623 HG LEU 81 HG LEU 81 6.948 1.302 -15.665 624 HD11 LEU 81 1HD1 LEU 81 6.322 2.465 -13.642 625 HD12 LEU 81 2HD1 LEU 81 5.339 3.602 -14.564 626 HD13 LEU 81 3HD1 LEU 81 7.091 3.590 -14.762 627 HD21 LEU 81 1HD2 LEU 81 3.964 1.687 -15.751 628 HD22 LEU 81 2HD2 LEU 81 4.784 0.783 -14.477 629 HD23 LEU 81 3HD2 LEU 81 4.888 0.239 -16.152 630 H LYS 82 H LYS 82 8.045 2.776 -18.970 631 HA LYS 82 HA LYS 82 7.333 4.650 -20.858 632 HB2 LYS 82 2HB LYS 82 9.712 3.646 -19.846 633 HB3 LYS 82 3HB LYS 82 9.813 3.287 -21.565 634 HG2 LYS 82 2HG LYS 82 9.819 5.504 -22.169 635 HG3 LYS 82 3HG LYS 82 9.003 6.019 -20.690 636 HD2 LYS 82 2HD LYS 82 11.295 4.985 -19.677 637 HD3 LYS 82 3HD LYS 82 11.867 5.600 -21.230 638 HE2 LYS 82 2HE LYS 82 10.155 7.552 -20.076 639 HE3 LYS 82 3HE LYS 82 11.308 7.039 -18.845 640 HZ1 LYS 82 1HZ LYS 82 12.864 8.241 -19.831 641 HZ2 LYS 82 2HZ LYS 82 11.742 8.778 -20.977 642 HZ3 LYS 82 3HZ LYS 82 12.664 7.393 -21.281 643 H ALA 83 H ALA 83 8.199 1.246 -21.413 644 HA ALA 83 HA ALA 83 8.059 1.174 -24.169 645 HB1 ALA 83 1HB ALA 83 8.844 -0.776 -23.220 646 HB2 ALA 83 2HB ALA 83 7.526 -0.864 -22.051 647 HB3 ALA 83 3HB ALA 83 7.229 -1.254 -23.745 648 H ALA 84 H ALA 84 5.473 1.341 -21.839 649 HA ALA 84 HA ALA 84 3.410 0.687 -23.752 650 HB1 ALA 84 1HB ALA 84 2.009 0.561 -21.988 651 HB2 ALA 84 2HB ALA 84 3.514 0.480 -21.072 652 HB3 ALA 84 3HB ALA 84 2.660 2.015 -21.229 653 H ARG 85 H ARG 85 4.811 3.578 -22.327 654 HA ARG 85 HA ARG 85 2.936 5.485 -23.003 655 HB2 ARG 85 2HB ARG 85 5.933 5.827 -23.189 656 HB3 ARG 85 3HB ARG 85 4.744 7.104 -22.970 657 HG2 ARG 85 2HG ARG 85 5.365 4.905 -21.009 658 HG3 ARG 85 3HG ARG 85 5.865 6.592 -20.882 659 HD2 ARG 85 2HD ARG 85 3.092 5.447 -20.704 660 HD3 ARG 85 3HD ARG 85 3.974 6.368 -19.487 661 HE ARG 85 HE ARG 85 3.781 8.112 -21.534 662 HH11 ARG 85 1HH1 ARG 85 1.446 6.138 -19.872 663 HH12 ARG 85 2HH1 ARG 85 0.137 7.244 -20.124 664 HH21 ARG 85 1HH2 ARG 85 2.066 9.578 -21.873 665 HH22 ARG 85 2HH2 ARG 85 0.491 9.200 -21.263 666 H GLU 86 H GLU 86 5.540 4.160 -25.014 667 HA GLU 86 HA GLU 86 5.163 5.780 -27.258 668 HB2 GLU 86 2HB GLU 86 6.599 3.350 -26.612 669 HB3 GLU 86 3HB GLU 86 5.927 3.270 -28.235 670 HG2 GLU 86 2HG GLU 86 7.183 5.825 -27.702 671 HG3 GLU 86 3HG GLU 86 8.294 4.473 -27.486 672 H GLU 87 H GLU 87 4.006 2.432 -26.808 673 HA GLU 87 HA GLU 87 2.182 1.334 -27.610 674 HB2 GLU 87 2HB GLU 87 1.148 3.555 -26.625 675 HB3 GLU 87 3HB GLU 87 0.832 3.903 -28.319 676 HG2 GLU 87 2HG GLU 87 -0.058 1.320 -28.049 677 HG3 GLU 87 3HG GLU 87 -0.496 2.057 -26.509 Start of MODEL 7 1 H1 SER 1 H SER 1 0.652 0.554 1.236 2 HA SER 1 HA SER 1 0.925 0.570 -1.081 3 HB2 SER 1 2HB SER 1 3.853 0.528 -0.561 4 HB3 SER 1 3HB SER 1 2.885 1.693 -1.464 5 HG SER 1 HG SER 1 3.795 1.956 0.970 6 H GLU 2 H GLU 2 0.522 -2.078 -0.380 7 HA GLU 2 HA GLU 2 2.630 -3.636 -1.653 8 HB2 GLU 2 2HB GLU 2 1.329 -5.591 -0.961 9 HB3 GLU 2 3HB GLU 2 1.622 -4.512 0.396 10 HG2 GLU 2 2HG GLU 2 -0.757 -3.577 -0.434 11 HG3 GLU 2 3HG GLU 2 -0.901 -5.266 -0.917 12 H ALA 3 H ALA 3 -0.718 -2.676 -2.185 13 HA ALA 3 HA ALA 3 -1.301 -4.274 -4.397 14 HB1 ALA 3 1HB ALA 3 -2.294 -1.504 -3.738 15 HB2 ALA 3 2HB ALA 3 -3.005 -2.577 -4.945 16 HB3 ALA 3 3HB ALA 3 -3.022 -3.032 -3.242 17 H VAL 4 H VAL 4 0.197 -1.063 -4.232 18 HA VAL 4 HA VAL 4 0.342 -0.473 -6.933 19 HB VAL 4 HB VAL 4 0.962 1.168 -5.272 20 HG11 VAL 4 1HG1 VAL 4 3.417 -0.496 -4.732 21 HG12 VAL 4 2HG1 VAL 4 2.976 1.027 -3.957 22 HG13 VAL 4 3HG1 VAL 4 2.004 -0.420 -3.681 23 HG21 VAL 4 1HG2 VAL 4 3.536 0.726 -6.708 24 HG22 VAL 4 2HG2 VAL 4 2.070 1.005 -7.647 25 HG23 VAL 4 3HG2 VAL 4 2.614 2.212 -6.481 26 H ILE 5 H ILE 5 2.462 -2.496 -4.970 27 HA ILE 5 HA ILE 5 4.449 -2.896 -6.950 28 HB ILE 5 HB ILE 5 3.722 -4.660 -4.608 29 HG12 ILE 5 2HG1 ILE 5 5.941 -2.621 -4.816 30 HG13 ILE 5 3HG1 ILE 5 4.373 -2.269 -4.100 31 HG21 ILE 5 1HG2 ILE 5 6.252 -5.237 -4.928 32 HG22 ILE 5 2HG2 ILE 5 5.024 -6.045 -5.901 33 HG23 ILE 5 3HG2 ILE 5 5.954 -4.712 -6.585 34 HD11 ILE 5 1HD1 ILE 5 6.630 -3.839 -3.049 35 HD12 ILE 5 2HD1 ILE 5 5.454 -2.827 -2.210 36 HD13 ILE 5 3HD1 ILE 5 5.016 -4.461 -2.707 37 H LYS 6 H LYS 6 1.330 -4.274 -6.416 38 HA LYS 6 HA LYS 6 1.744 -6.692 -7.877 39 HB2 LYS 6 2HB LYS 6 -0.853 -5.258 -7.293 40 HB3 LYS 6 3HB LYS 6 -0.676 -6.938 -7.782 41 HG2 LYS 6 2HG LYS 6 0.216 -5.697 -5.190 42 HG3 LYS 6 3HG LYS 6 -1.093 -6.857 -5.429 43 HD2 LYS 6 2HD LYS 6 0.503 -8.335 -4.798 44 HD3 LYS 6 3HD LYS 6 0.935 -8.245 -6.507 45 HE2 LYS 6 2HE LYS 6 2.746 -6.834 -6.096 46 HE3 LYS 6 3HE LYS 6 2.135 -6.357 -4.513 47 HZ1 LYS 6 1HZ LYS 6 4.004 -8.292 -5.025 48 HZ2 LYS 6 2HZ LYS 6 2.602 -9.164 -4.660 49 HZ3 LYS 6 3HZ LYS 6 3.205 -8.033 -3.556 50 H VAL 7 H VAL 7 0.626 -3.457 -8.685 51 HA VAL 7 HA VAL 7 -0.367 -3.987 -11.256 52 HB VAL 7 HB VAL 7 0.903 -1.456 -10.202 53 HG11 VAL 7 1HG1 VAL 7 -0.449 -2.121 -12.768 54 HG12 VAL 7 2HG1 VAL 7 -0.724 -0.530 -12.057 55 HG13 VAL 7 3HG1 VAL 7 0.915 -1.048 -12.455 56 HG21 VAL 7 1HG2 VAL 7 -1.357 -0.721 -9.760 57 HG22 VAL 7 2HG2 VAL 7 -2.007 -2.223 -10.419 58 HG23 VAL 7 3HG2 VAL 7 -1.061 -2.249 -8.930 59 H ILE 8 H ILE 8 2.879 -3.101 -10.146 60 HA ILE 8 HA ILE 8 3.968 -3.108 -12.811 61 HB ILE 8 HB ILE 8 5.375 -3.041 -10.140 62 HG12 ILE 8 2HG1 ILE 8 5.397 -0.650 -11.835 63 HG13 ILE 8 3HG1 ILE 8 3.789 -1.100 -11.279 64 HG21 ILE 8 1HG2 ILE 8 6.836 -3.888 -11.880 65 HG22 ILE 8 2HG2 ILE 8 6.423 -2.525 -12.919 66 HG23 ILE 8 3HG2 ILE 8 7.318 -2.254 -11.424 67 HD11 ILE 8 1HD1 ILE 8 6.188 -0.338 -9.662 68 HD12 ILE 8 2HD1 ILE 8 4.573 0.373 -9.663 69 HD13 ILE 8 3HD1 ILE 8 4.836 -1.219 -8.951 70 H SER 9 H SER 9 3.691 -5.361 -10.159 71 HA SER 9 HA SER 9 5.637 -7.222 -11.025 72 HB2 SER 9 2HB SER 9 5.014 -7.538 -8.808 73 HB3 SER 9 3HB SER 9 3.297 -7.331 -9.154 74 HG SER 9 HG SER 9 4.873 -9.548 -9.971 75 H SER 10 H SER 10 2.422 -6.530 -12.056 76 HA SER 10 HA SER 10 2.281 -9.039 -13.574 77 HB2 SER 10 2HB SER 10 0.262 -8.728 -12.397 78 HB3 SER 10 3HB SER 10 0.209 -7.005 -12.769 79 HG SER 10 HG SER 10 -0.584 -7.427 -14.705 80 H ALA 11 H ALA 11 2.819 -5.665 -13.902 81 HA ALA 11 HA ALA 11 2.198 -5.588 -16.732 82 HB1 ALA 11 1HB ALA 11 2.658 -3.285 -16.644 83 HB2 ALA 11 2HB ALA 11 1.869 -3.658 -15.111 84 HB3 ALA 11 3HB ALA 11 3.619 -3.448 -15.175 85 H CYS 12 H CYS 12 4.986 -5.962 -14.669 86 HA CYS 12 HA CYS 12 6.907 -5.507 -16.759 87 HB2 CYS 12 2HB CYS 12 7.027 -6.381 -13.901 88 HB3 CYS 12 3HB CYS 12 8.419 -6.673 -14.937 89 HG CYS 12 HG CYS 12 7.056 -3.560 -14.600 90 H LYS 13 H LYS 13 5.461 -8.314 -15.181 91 HA LYS 13 HA LYS 13 7.062 -10.297 -16.348 92 HB2 LYS 13 2HB LYS 13 5.129 -11.815 -15.871 93 HB3 LYS 13 3HB LYS 13 5.656 -10.859 -14.492 94 HG2 LYS 13 2HG LYS 13 3.447 -10.497 -14.271 95 HG3 LYS 13 3HG LYS 13 3.761 -9.231 -15.459 96 HD2 LYS 13 2HD LYS 13 2.104 -10.225 -16.613 97 HD3 LYS 13 3HD LYS 13 3.360 -11.377 -17.074 98 HE2 LYS 13 2HE LYS 13 1.582 -12.708 -16.331 99 HE3 LYS 13 3HE LYS 13 2.704 -12.667 -14.971 100 HZ1 LYS 13 1HZ LYS 13 1.008 -10.515 -14.630 101 HZ2 LYS 13 2HZ LYS 13 1.027 -11.952 -13.738 102 HZ3 LYS 13 3HZ LYS 13 0.010 -11.805 -15.082 103 H THR 14 H THR 14 4.196 -8.627 -17.512 104 HA THR 14 HA THR 14 3.941 -10.301 -19.848 105 HB THR 14 HB THR 14 2.560 -7.736 -19.049 106 HG1 THR 14 HG1 THR 14 1.938 -10.486 -18.939 107 HG21 THR 14 1HG2 THR 14 2.027 -7.492 -21.209 108 HG22 THR 14 2HG2 THR 14 1.045 -8.946 -21.028 109 HG23 THR 14 3HG2 THR 14 2.699 -9.067 -21.629 110 H TYR 15 H TYR 15 5.015 -6.990 -19.160 111 HA TYR 15 HA TYR 15 5.715 -6.480 -21.902 112 HB2 TYR 15 2HB TYR 15 6.112 -4.961 -19.332 113 HB3 TYR 15 3HB TYR 15 6.811 -4.409 -20.850 114 HD1 TYR 15 HD1 TYR 15 3.486 -5.708 -19.716 115 HD2 TYR 15 HD2 TYR 15 5.623 -2.733 -21.879 116 HE1 TYR 15 HE1 TYR 15 1.362 -4.605 -20.284 117 HE2 TYR 15 HE2 TYR 15 3.506 -1.620 -22.452 118 HH TYR 15 HH TYR 15 1.128 -2.180 -22.651 119 H CYS 16 H CYS 16 7.818 -6.109 -19.067 120 HA CYS 16 HA CYS 16 10.213 -6.452 -20.413 121 HB2 CYS 16 2HB CYS 16 9.634 -7.168 -17.531 122 HB3 CYS 16 3HB CYS 16 11.224 -6.859 -18.219 123 HG CYS 16 HG CYS 16 9.874 -4.186 -19.017 124 H GLY 17 H GLY 17 8.039 -8.853 -19.063 125 HA2 GLY 17 2HA GLY 17 7.905 -11.064 -19.919 126 HA3 GLY 17 3HA GLY 17 9.573 -10.929 -20.455 127 H LYS 18 H LYS 18 10.307 -12.788 -19.487 128 HA LYS 18 HA LYS 18 9.788 -13.412 -16.749 129 HB2 LYS 18 2HB LYS 18 11.391 -15.222 -17.060 130 HB3 LYS 18 3HB LYS 18 10.277 -15.150 -18.419 131 HG2 LYS 18 2HG LYS 18 12.061 -15.199 -19.734 132 HG3 LYS 18 3HG LYS 18 12.388 -13.546 -19.207 133 HD2 LYS 18 2HD LYS 18 14.366 -14.409 -18.557 134 HD3 LYS 18 3HD LYS 18 13.449 -14.953 -17.150 135 HE2 LYS 18 2HE LYS 18 13.708 -16.620 -19.636 136 HE3 LYS 18 3HE LYS 18 14.904 -16.677 -18.342 137 HZ1 LYS 18 1HZ LYS 18 12.033 -17.397 -18.184 138 HZ2 LYS 18 2HZ LYS 18 13.006 -17.197 -16.816 139 HZ3 LYS 18 3HZ LYS 18 13.369 -18.406 -17.941 140 H THR 19 H THR 19 11.773 -11.157 -18.194 141 HA THR 19 HA THR 19 13.916 -11.300 -16.238 142 HB THR 19 HB THR 19 14.517 -10.683 -18.513 143 HG1 THR 19 HG1 THR 19 15.962 -9.404 -17.660 144 HG21 THR 19 1HG2 THR 19 12.159 -9.128 -18.391 145 HG22 THR 19 2HG2 THR 19 13.249 -9.342 -19.761 146 HG23 THR 19 3HG2 THR 19 13.502 -8.012 -18.631 147 H SER 20 H SER 20 10.884 -10.383 -15.930 148 HA SER 20 HA SER 20 10.762 -7.761 -15.098 149 HB2 SER 20 2HB SER 20 8.934 -8.552 -13.533 150 HB3 SER 20 3HB SER 20 8.743 -9.040 -15.217 151 HG SER 20 HG SER 20 8.429 -10.713 -13.548 152 HA PRO 21 HA PRO 21 13.159 -7.348 -11.446 153 HB2 PRO 21 2HB PRO 21 11.684 -5.553 -10.040 154 HB3 PRO 21 3HB PRO 21 12.612 -5.116 -11.480 155 HG2 PRO 21 2HG PRO 21 9.687 -5.695 -11.215 156 HG3 PRO 21 3HG PRO 21 10.494 -4.410 -12.132 157 HD2 PRO 21 2HD PRO 21 9.566 -6.671 -13.298 158 HD3 PRO 21 3HD PRO 21 11.003 -5.813 -13.889 159 H SER 22 H SER 22 13.388 -8.723 -9.808 160 HA SER 22 HA SER 22 11.416 -10.414 -8.835 161 HB2 SER 22 2HB SER 22 13.624 -11.098 -8.428 162 HB3 SER 22 3HB SER 22 14.076 -9.543 -7.732 163 HG SER 22 HG SER 22 13.820 -10.925 -6.037 164 H LYS 23 H LYS 23 10.333 -10.513 -6.806 165 HA LYS 23 HA LYS 23 8.923 -8.253 -6.082 166 HB2 LYS 23 2HB LYS 23 9.072 -10.953 -5.233 167 HB3 LYS 23 3HB LYS 23 9.168 -9.955 -3.789 168 HG2 LYS 23 2HG LYS 23 7.082 -9.226 -5.744 169 HG3 LYS 23 3HG LYS 23 6.861 -10.750 -4.883 170 HD2 LYS 23 2HD LYS 23 7.520 -8.195 -3.445 171 HD3 LYS 23 3HD LYS 23 5.857 -8.642 -3.836 172 HE2 LYS 23 2HE LYS 23 5.817 -10.342 -2.326 173 HE3 LYS 23 3HE LYS 23 7.533 -10.699 -2.519 174 HZ1 LYS 23 1HZ LYS 23 7.831 -9.644 -0.606 175 HZ2 LYS 23 2HZ LYS 23 6.242 -9.063 -0.580 176 HZ3 LYS 23 3HZ LYS 23 7.445 -8.198 -1.396 177 H LYS 24 H LYS 24 11.870 -9.573 -4.632 178 HA LYS 24 HA LYS 24 12.019 -7.659 -2.534 179 HB2 LYS 24 2HB LYS 24 13.157 -9.850 -2.450 180 HB3 LYS 24 3HB LYS 24 14.220 -9.337 -3.754 181 HG2 LYS 24 2HG LYS 24 15.364 -9.138 -1.650 182 HG3 LYS 24 3HG LYS 24 15.071 -7.529 -2.314 183 HD2 LYS 24 2HD LYS 24 13.920 -6.936 -0.505 184 HD3 LYS 24 3HD LYS 24 12.862 -8.339 -0.664 185 HE2 LYS 24 2HE LYS 24 15.613 -8.523 0.534 186 HE3 LYS 24 3HE LYS 24 14.192 -8.125 1.498 187 HZ1 LYS 24 1HZ LYS 24 14.003 -10.483 -0.202 188 HZ2 LYS 24 2HZ LYS 24 13.392 -10.217 1.352 189 HZ3 LYS 24 3HZ LYS 24 15.025 -10.601 1.141 190 H GLU 25 H GLU 25 12.991 -7.678 -5.863 191 HA GLU 25 HA GLU 25 14.851 -5.510 -5.656 192 HB2 GLU 25 2HB GLU 25 13.568 -7.010 -7.902 193 HB3 GLU 25 3HB GLU 25 14.345 -5.471 -8.242 194 HG2 GLU 25 2HG GLU 25 16.409 -6.380 -7.148 195 HG3 GLU 25 3HG GLU 25 15.605 -7.948 -7.102 196 H ILE 26 H ILE 26 11.424 -5.804 -6.022 197 HA ILE 26 HA ILE 26 11.017 -3.139 -7.027 198 HB ILE 26 HB ILE 26 9.035 -5.083 -5.838 199 HG12 ILE 26 2HG1 ILE 26 9.549 -4.409 -8.740 200 HG13 ILE 26 3HG1 ILE 26 10.210 -5.826 -7.931 201 HG21 ILE 26 1HG2 ILE 26 7.660 -3.407 -7.520 202 HG22 ILE 26 2HG2 ILE 26 7.698 -3.296 -5.761 203 HG23 ILE 26 3HG2 ILE 26 8.801 -2.319 -6.730 204 HD11 ILE 26 1HD1 ILE 26 8.383 -6.910 -8.542 205 HD12 ILE 26 2HD1 ILE 26 7.480 -5.906 -7.408 206 HD13 ILE 26 3HD1 ILE 26 7.617 -5.422 -9.098 207 H GLY 27 H GLY 27 10.524 -4.774 -3.904 208 HA2 GLY 27 2HA GLY 27 9.571 -2.506 -2.521 209 HA3 GLY 27 3HA GLY 27 10.268 -3.939 -1.781 210 H ALA 28 H ALA 28 12.751 -3.418 -3.482 211 HA ALA 28 HA ALA 28 14.006 -1.629 -1.547 212 HB1 ALA 28 1HB ALA 28 16.044 -2.604 -2.098 213 HB2 ALA 28 2HB ALA 28 14.905 -3.945 -2.224 214 HB3 ALA 28 3HB ALA 28 15.475 -3.132 -3.682 215 H MET 29 H MET 29 12.489 -1.250 -4.407 216 HA MET 29 HA MET 29 14.338 0.839 -5.348 217 HB2 MET 29 2HB MET 29 13.889 -0.844 -7.037 218 HB3 MET 29 3HB MET 29 12.155 -0.643 -6.823 219 HG2 MET 29 2HG MET 29 12.488 1.761 -7.545 220 HG3 MET 29 3HG MET 29 14.110 1.280 -8.036 221 HE1 MET 29 1HE MET 29 10.077 0.092 -9.496 222 HE2 MET 29 2HE MET 29 10.580 1.370 -8.390 223 HE3 MET 29 3HE MET 29 10.584 1.657 -10.131 224 H LEU 30 H LEU 30 10.861 0.152 -4.979 225 HA LEU 30 HA LEU 30 9.846 2.663 -5.478 226 HB2 LEU 30 2HB LEU 30 8.978 0.313 -3.936 227 HB3 LEU 30 3HB LEU 30 8.211 1.833 -3.482 228 HG LEU 30 HG LEU 30 7.336 2.117 -5.705 229 HD11 LEU 30 1HD1 LEU 30 7.707 -0.053 -7.205 230 HD12 LEU 30 2HD1 LEU 30 9.241 -0.058 -6.335 231 HD13 LEU 30 3HD1 LEU 30 8.770 1.352 -7.284 232 HD21 LEU 30 1HD2 LEU 30 6.768 -0.761 -5.219 233 HD22 LEU 30 2HD2 LEU 30 5.662 0.570 -5.560 234 HD23 LEU 30 3HD2 LEU 30 6.366 0.398 -3.952 235 H SER 31 H SER 31 10.541 1.368 -2.224 236 HA SER 31 HA SER 31 10.150 3.688 -0.785 237 HB2 SER 31 2HB SER 31 10.451 1.814 0.552 238 HB3 SER 31 3HB SER 31 11.864 1.270 -0.351 239 HG SER 31 HG SER 31 11.725 3.469 1.438 240 H LEU 32 H LEU 32 13.061 2.601 -2.466 241 HA LEU 32 HA LEU 32 14.867 4.504 -1.569 242 HB2 LEU 32 2HB LEU 32 15.233 2.479 -3.093 243 HB3 LEU 32 3HB LEU 32 14.787 3.556 -4.416 244 HG LEU 32 HG LEU 32 17.249 3.239 -4.072 245 HD11 LEU 32 1HD1 LEU 32 17.664 5.309 -4.879 246 HD12 LEU 32 2HD1 LEU 32 16.758 6.113 -3.598 247 HD13 LEU 32 3HD1 LEU 32 15.903 5.375 -4.953 248 HD21 LEU 32 1HD2 LEU 32 17.128 3.219 -1.582 249 HD22 LEU 32 2HD2 LEU 32 16.815 4.954 -1.632 250 HD23 LEU 32 3HD2 LEU 32 18.344 4.316 -2.237 251 H LEU 33 H LEU 33 12.694 4.679 -4.380 252 HA LEU 33 HA LEU 33 13.431 7.189 -5.311 253 HB2 LEU 33 2HB LEU 33 10.690 5.936 -5.337 254 HB3 LEU 33 3HB LEU 33 11.210 7.286 -6.343 255 HG LEU 33 HG LEU 33 12.434 4.534 -6.471 256 HD11 LEU 33 1HD1 LEU 33 9.941 4.748 -7.083 257 HD12 LEU 33 2HD1 LEU 33 11.030 3.978 -8.236 258 HD13 LEU 33 3HD1 LEU 33 10.518 5.647 -8.486 259 HD21 LEU 33 1HD2 LEU 33 13.325 5.326 -8.597 260 HD22 LEU 33 2HD2 LEU 33 13.858 6.355 -7.268 261 HD23 LEU 33 3HD2 LEU 33 12.567 6.898 -8.341 262 H GLN 34 H GLN 34 11.248 6.294 -2.707 263 HA GLN 34 HA GLN 34 10.246 8.943 -2.294 264 HB2 GLN 34 2HB GLN 34 10.225 6.651 -0.329 265 HB3 GLN 34 3HB GLN 34 9.160 8.051 -0.348 266 HG2 GLN 34 2HG GLN 34 8.062 7.291 -2.314 267 HG3 GLN 34 3HG GLN 34 9.253 6.014 -2.555 268 HE21 GLN 34 1HE2 GLN 34 6.916 7.171 -0.154 269 HE22 GLN 34 2HE2 GLN 34 6.403 5.603 0.357 270 H LYS 35 H LYS 35 12.832 6.992 -0.921 271 HA LYS 35 HA LYS 35 13.466 8.770 1.204 272 HB2 LYS 35 2HB LYS 35 14.127 6.260 0.806 273 HB3 LYS 35 3HB LYS 35 15.507 6.959 -0.031 274 HG2 LYS 35 2HG LYS 35 16.088 8.204 2.007 275 HG3 LYS 35 3HG LYS 35 14.732 7.439 2.840 276 HD2 LYS 35 2HD LYS 35 16.747 5.713 1.479 277 HD3 LYS 35 3HD LYS 35 17.166 6.457 3.024 278 HE2 LYS 35 2HE LYS 35 14.805 5.514 3.724 279 HE3 LYS 35 3HE LYS 35 15.109 4.397 2.394 280 HZ1 LYS 35 1HZ LYS 35 15.940 3.979 4.883 281 HZ2 LYS 35 2HZ LYS 35 17.301 4.766 4.261 282 HZ3 LYS 35 3HZ LYS 35 16.731 3.354 3.525 283 H GLU 36 H GLU 36 15.062 8.157 -1.927 284 HA GLU 36 HA GLU 36 17.038 10.080 -1.774 285 HB2 GLU 36 2HB GLU 36 16.016 8.367 -3.748 286 HB3 GLU 36 3HB GLU 36 15.952 9.978 -4.449 287 HG2 GLU 36 2HG GLU 36 18.416 8.829 -3.171 288 HG3 GLU 36 3HG GLU 36 18.051 8.688 -4.889 289 H GLY 37 H GLY 37 13.631 10.468 -2.384 290 HA2 GLY 37 2HA GLY 37 12.540 12.546 -1.933 291 HA3 GLY 37 3HA GLY 37 14.024 13.381 -2.368 292 H LEU 38 H LEU 38 12.721 10.784 -4.304 293 HA LEU 38 HA LEU 38 12.479 12.603 -6.553 294 HB2 LEU 38 2HB LEU 38 12.126 9.615 -6.361 295 HB3 LEU 38 3HB LEU 38 12.066 10.547 -7.856 296 HG LEU 38 HG LEU 38 14.485 10.298 -6.070 297 HD11 LEU 38 1HD1 LEU 38 15.193 9.080 -8.345 298 HD12 LEU 38 2HD1 LEU 38 13.476 8.678 -8.325 299 HD13 LEU 38 3HD1 LEU 38 14.503 8.223 -6.966 300 HD21 LEU 38 1HD2 LEU 38 15.427 11.095 -8.444 301 HD22 LEU 38 2HD2 LEU 38 14.960 12.220 -7.168 302 HD23 LEU 38 3HD2 LEU 38 13.844 11.872 -8.489 303 H LEU 39 H LEU 39 10.391 10.145 -5.026 304 HA LEU 39 HA LEU 39 8.068 11.762 -5.841 305 HB2 LEU 39 2HB LEU 39 6.912 9.406 -5.753 306 HB3 LEU 39 3HB LEU 39 7.748 9.964 -7.200 307 HG LEU 39 HG LEU 39 9.756 8.656 -6.393 308 HD11 LEU 39 1HD1 LEU 39 8.891 6.683 -4.887 309 HD12 LEU 39 2HD1 LEU 39 7.752 7.906 -4.326 310 HD13 LEU 39 3HD1 LEU 39 9.487 8.181 -4.173 311 HD21 LEU 39 1HD2 LEU 39 9.102 6.951 -7.701 312 HD22 LEU 39 2HD2 LEU 39 7.665 7.940 -7.962 313 HD23 LEU 39 3HD2 LEU 39 7.642 6.650 -6.758 314 H MET 40 H MET 40 6.101 11.305 -4.502 315 HA MET 40 HA MET 40 6.871 11.285 -1.695 316 HB2 MET 40 2HB MET 40 5.438 13.084 -2.264 317 HB3 MET 40 3HB MET 40 4.340 12.032 -3.146 318 HG2 MET 40 2HG MET 40 3.368 12.718 -1.040 319 HG3 MET 40 3HG MET 40 3.657 10.980 -1.058 320 HE1 MET 40 1HE MET 40 5.920 14.170 1.301 321 HE2 MET 40 2HE MET 40 6.655 13.730 -0.241 322 HE3 MET 40 3HE MET 40 5.013 14.375 -0.199 323 H SER 41 H SER 41 5.271 9.284 -4.021 324 HA SER 41 HA SER 41 5.002 7.186 -2.017 325 HB2 SER 41 2HB SER 41 2.762 8.675 -2.979 326 HB3 SER 41 3HB SER 41 2.653 7.036 -3.620 327 HG SER 41 HG SER 41 2.915 7.799 -0.900 328 HA PRO 42 HA PRO 42 6.277 4.500 -5.241 329 HB2 PRO 42 2HB PRO 42 4.851 2.246 -4.734 330 HB3 PRO 42 3HB PRO 42 6.195 2.782 -3.718 331 HG2 PRO 42 2HG PRO 42 3.250 3.120 -3.298 332 HG3 PRO 42 3HG PRO 42 4.503 2.669 -2.127 333 HD2 PRO 42 2HD PRO 42 3.506 5.180 -2.299 334 HD3 PRO 42 3HD PRO 42 5.185 4.850 -1.827 335 H SER 43 H SER 43 2.969 5.390 -4.985 336 HA SER 43 HA SER 43 2.122 4.048 -7.397 337 HB2 SER 43 2HB SER 43 0.203 5.966 -6.821 338 HB3 SER 43 3HB SER 43 0.182 4.287 -6.281 339 HG SER 43 HG SER 43 0.138 5.261 -4.392 340 H ASP 44 H ASP 44 3.920 6.767 -6.757 341 HA ASP 44 HA ASP 44 2.921 8.577 -8.701 342 HB2 ASP 44 2HB ASP 44 4.729 8.783 -6.692 343 HB3 ASP 44 3HB ASP 44 5.809 8.674 -8.080 344 H LEU 45 H LEU 45 4.541 5.644 -8.991 345 HA LEU 45 HA LEU 45 6.222 6.072 -11.191 346 HB2 LEU 45 2HB LEU 45 6.170 4.034 -9.771 347 HB3 LEU 45 3HB LEU 45 4.656 3.578 -10.549 348 HG LEU 45 HG LEU 45 5.761 3.245 -12.649 349 HD11 LEU 45 1HD1 LEU 45 7.960 4.716 -11.320 350 HD12 LEU 45 2HD1 LEU 45 7.395 4.780 -12.989 351 HD13 LEU 45 3HD1 LEU 45 8.407 3.439 -12.452 352 HD21 LEU 45 1HD2 LEU 45 6.486 1.227 -12.052 353 HD22 LEU 45 2HD2 LEU 45 6.225 1.724 -10.380 354 HD23 LEU 45 3HD2 LEU 45 7.819 1.901 -11.115 355 H TYR 46 H TYR 46 2.815 6.058 -10.960 356 HA TYR 46 HA TYR 46 2.344 5.389 -13.733 357 HB2 TYR 46 2HB TYR 46 0.400 6.547 -11.728 358 HB3 TYR 46 3HB TYR 46 0.007 5.733 -13.239 359 HD1 TYR 46 HD1 TYR 46 -0.550 5.212 -10.071 360 HD2 TYR 46 HD2 TYR 46 1.786 3.384 -13.121 361 HE1 TYR 46 HE1 TYR 46 -0.678 3.067 -8.875 362 HE2 TYR 46 HE2 TYR 46 1.663 1.233 -11.934 363 HH TYR 46 HH TYR 46 -0.028 0.945 -8.824 364 H SER 47 H SER 47 3.677 7.987 -12.379 365 HA SER 47 HA SER 47 2.315 9.916 -14.135 366 HB2 SER 47 2HB SER 47 2.391 10.461 -11.693 367 HB3 SER 47 3HB SER 47 4.150 10.512 -11.802 368 HG SER 47 HG SER 47 3.876 12.505 -12.385 369 HA PRO 48 HA PRO 48 6.269 9.138 -16.321 370 HB2 PRO 48 2HB PRO 48 5.232 9.606 -18.786 371 HB3 PRO 48 3HB PRO 48 5.115 8.039 -17.977 372 HG2 PRO 48 2HG PRO 48 3.076 10.221 -18.185 373 HG3 PRO 48 3HG PRO 48 2.861 8.470 -18.356 374 HD2 PRO 48 2HD PRO 48 2.231 9.799 -16.084 375 HD3 PRO 48 3HD PRO 48 2.821 8.125 -16.078 376 H GLY 49 H GLY 49 6.419 11.338 -14.992 377 HA2 GLY 49 2HA GLY 49 7.048 13.369 -16.994 378 HA3 GLY 49 3HA GLY 49 5.909 13.826 -15.737 379 H SER 50 H SER 50 8.197 11.590 -14.652 380 HA SER 50 HA SER 50 10.059 13.665 -13.759 381 HB2 SER 50 2HB SER 50 8.276 12.028 -12.028 382 HB3 SER 50 3HB SER 50 9.928 12.287 -11.468 383 HG SER 50 HG SER 50 8.138 14.345 -12.257 384 H TRP 51 H TRP 51 9.763 10.981 -15.408 385 HA TRP 51 HA TRP 51 11.661 9.216 -14.233 386 HB2 TRP 51 2HB TRP 51 10.651 9.429 -17.076 387 HB3 TRP 51 3HB TRP 51 11.652 8.114 -16.468 388 HD1 TRP 51 HD1 TRP 51 9.738 8.385 -13.601 389 HE1 TRP 51 HE1 TRP 51 7.562 7.011 -13.646 390 HE3 TRP 51 HE3 TRP 51 9.363 7.622 -18.643 391 HZ2 TRP 51 HZ2 TRP 51 5.906 5.767 -15.564 392 HZ3 TRP 51 HZ3 TRP 51 7.453 6.329 -19.501 393 HH2 TRP 51 HH2 TRP 51 5.762 5.421 -17.992 394 H ASP 52 H ASP 52 11.893 12.023 -16.245 395 HA ASP 52 HA ASP 52 14.401 11.600 -17.420 396 HB2 ASP 52 2HB ASP 52 12.630 13.896 -16.932 397 HB3 ASP 52 3HB ASP 52 14.339 14.310 -17.037 398 HA PRO 53 HA PRO 53 16.361 13.919 -13.669 399 HB2 PRO 53 2HB PRO 53 14.765 14.418 -11.530 400 HB3 PRO 53 3HB PRO 53 14.937 15.542 -12.884 401 HG2 PRO 53 2HG PRO 53 12.765 13.557 -12.334 402 HG3 PRO 53 3HG PRO 53 12.633 15.230 -12.906 403 HD2 PRO 53 2HD PRO 53 12.447 13.102 -14.570 404 HD3 PRO 53 3HD PRO 53 13.132 14.658 -15.082 405 H ILE 54 H ILE 54 13.907 11.487 -13.054 406 HA ILE 54 HA ILE 54 15.184 10.396 -10.734 407 HB ILE 54 HB ILE 54 12.978 9.388 -12.516 408 HG12 ILE 54 2HG1 ILE 54 12.960 10.156 -9.593 409 HG13 ILE 54 3HG1 ILE 54 12.564 11.271 -10.896 410 HG21 ILE 54 1HG2 ILE 54 14.438 7.989 -10.318 411 HG22 ILE 54 2HG2 ILE 54 12.724 7.673 -10.578 412 HG23 ILE 54 3HG2 ILE 54 13.883 7.364 -11.871 413 HD11 ILE 54 1HD1 ILE 54 11.076 8.745 -10.936 414 HD12 ILE 54 2HD1 ILE 54 10.760 9.787 -9.548 415 HD13 ILE 54 3HD1 ILE 54 10.522 10.401 -11.184 416 H THR 55 H THR 55 15.014 9.501 -14.159 417 HA THR 55 HA THR 55 16.519 7.118 -13.933 418 HB THR 55 HB THR 55 16.096 8.921 -16.323 419 HG1 THR 55 HG1 THR 55 14.196 7.923 -15.464 420 HG21 THR 55 1HG2 THR 55 17.481 6.290 -16.010 421 HG22 THR 55 2HG2 THR 55 17.930 7.685 -16.991 422 HG23 THR 55 3HG2 THR 55 16.605 6.640 -17.499 423 H ALA 56 H ALA 56 17.417 10.468 -14.602 424 HA ALA 56 HA ALA 56 20.175 9.867 -15.090 425 HB1 ALA 56 1HB ALA 56 19.586 11.808 -16.152 426 HB2 ALA 56 2HB ALA 56 18.557 12.352 -14.826 427 HB3 ALA 56 3HB ALA 56 20.312 12.459 -14.682 428 H ALA 57 H ALA 57 18.244 10.599 -12.298 429 HA ALA 57 HA ALA 57 20.384 11.376 -10.582 430 HB1 ALA 57 1HB ALA 57 18.382 12.137 -9.775 431 HB2 ALA 57 2HB ALA 57 17.518 10.662 -10.211 432 HB3 ALA 57 3HB ALA 57 18.578 10.679 -8.802 433 H LEU 58 H LEU 58 18.678 8.329 -11.179 434 HA LEU 58 HA LEU 58 20.144 6.873 -9.199 435 HB2 LEU 58 2HB LEU 58 18.432 5.963 -11.505 436 HB3 LEU 58 3HB LEU 58 19.129 4.880 -10.301 437 HG LEU 58 HG LEU 58 17.278 7.119 -9.532 438 HD11 LEU 58 1HD1 LEU 58 15.534 5.260 -9.453 439 HD12 LEU 58 2HD1 LEU 58 16.604 4.373 -10.538 440 HD13 LEU 58 3HD1 LEU 58 15.936 5.927 -11.036 441 HD21 LEU 58 1HD2 LEU 58 18.285 6.323 -7.617 442 HD22 LEU 58 2HD2 LEU 58 18.400 4.674 -8.233 443 HD23 LEU 58 3HD2 LEU 58 16.842 5.312 -7.706 444 H SER 59 H SER 59 20.474 7.457 -12.641 445 HA SER 59 HA SER 59 22.489 5.482 -13.076 446 HB2 SER 59 2HB SER 59 20.916 6.710 -14.786 447 HB3 SER 59 3HB SER 59 22.215 7.902 -14.822 448 HG SER 59 HG SER 59 22.686 6.431 -16.392 449 H GLN 60 H GLN 60 22.471 8.787 -12.005 450 HA GLN 60 HA GLN 60 25.273 9.234 -12.456 451 HB2 GLN 60 2HB GLN 60 23.896 11.167 -12.491 452 HB3 GLN 60 3HB GLN 60 23.147 10.751 -10.955 453 HG2 GLN 60 2HG GLN 60 24.690 12.587 -10.677 454 HG3 GLN 60 3HG GLN 60 25.265 11.164 -9.811 455 HE21 GLN 60 1HE2 GLN 60 26.251 13.657 -11.627 456 HE22 GLN 60 2HE2 GLN 60 27.670 12.980 -12.342 457 H ARG 61 H ARG 61 23.238 8.477 -9.656 458 HA ARG 61 HA ARG 61 25.110 8.652 -7.634 459 HB2 ARG 61 2HB ARG 61 22.514 7.878 -7.765 460 HB3 ARG 61 3HB ARG 61 23.294 6.330 -7.469 461 HG2 ARG 61 2HG ARG 61 24.313 7.184 -5.454 462 HG3 ARG 61 3HG ARG 61 23.654 8.790 -5.771 463 HD2 ARG 61 2HD ARG 61 21.418 8.011 -5.464 464 HD3 ARG 61 3HD ARG 61 21.952 6.332 -5.409 465 HE ARG 61 HE ARG 61 22.024 8.252 -3.262 466 HH11 ARG 61 1HH1 ARG 61 23.326 5.276 -4.513 467 HH12 ARG 61 2HH1 ARG 61 23.830 4.693 -2.961 468 HH21 ARG 61 1HH2 ARG 61 22.683 7.495 -1.214 469 HH22 ARG 61 2HH2 ARG 61 23.463 5.955 -1.085 470 H ALA 62 H ALA 62 24.322 5.782 -9.593 471 HA ALA 62 HA ALA 62 26.247 4.083 -8.458 472 HB1 ALA 62 1HB ALA 62 24.246 3.807 -10.311 473 HB2 ALA 62 2HB ALA 62 25.703 3.568 -11.276 474 HB3 ALA 62 3HB ALA 62 25.409 2.559 -9.860 475 H MET 63 H MET 63 26.589 6.735 -10.571 476 HA MET 63 HA MET 63 29.153 5.823 -11.620 477 HB2 MET 63 2HB MET 63 27.201 7.913 -12.326 478 HB3 MET 63 3HB MET 63 28.885 8.383 -12.518 479 HG2 MET 63 2HG MET 63 28.898 5.944 -13.690 480 HG3 MET 63 3HG MET 63 27.262 6.487 -14.055 481 HE1 MET 63 1HE MET 63 26.840 9.023 -15.056 482 HE2 MET 63 2HE MET 63 28.047 9.737 -13.987 483 HE3 MET 63 3HE MET 63 28.138 10.010 -15.727 484 H ILE 64 H ILE 64 27.833 7.945 -9.213 485 HA ILE 64 HA ILE 64 30.354 9.315 -8.772 486 HB ILE 64 HB ILE 64 27.734 9.476 -7.280 487 HG12 ILE 64 2HG1 ILE 64 29.048 11.409 -9.201 488 HG13 ILE 64 3HG1 ILE 64 27.684 10.365 -9.586 489 HG21 ILE 64 1HG2 ILE 64 29.535 10.001 -5.773 490 HG22 ILE 64 2HG2 ILE 64 30.266 11.079 -6.962 491 HG23 ILE 64 3HG2 ILE 64 28.716 11.495 -6.230 492 HD11 ILE 64 1HD1 ILE 64 26.889 12.580 -9.155 493 HD12 ILE 64 2HD1 ILE 64 26.372 11.525 -7.839 494 HD13 ILE 64 3HD1 ILE 64 27.729 12.627 -7.606 495 H LEU 65 H LEU 65 28.236 7.088 -6.982 496 HA LEU 65 HA LEU 65 30.285 6.695 -4.957 497 HB2 LEU 65 2HB LEU 65 27.428 5.902 -5.273 498 HB3 LEU 65 3HB LEU 65 28.450 4.994 -4.161 499 HG LEU 65 HG LEU 65 27.173 6.684 -2.976 500 HD11 LEU 65 1HD1 LEU 65 30.008 6.428 -2.945 501 HD12 LEU 65 2HD1 LEU 65 28.913 6.792 -1.612 502 HD13 LEU 65 3HD1 LEU 65 29.585 8.101 -2.584 503 HD21 LEU 65 1HD2 LEU 65 27.407 8.212 -5.191 504 HD22 LEU 65 2HD2 LEU 65 28.628 8.954 -4.157 505 HD23 LEU 65 3HD2 LEU 65 26.957 8.836 -3.604 506 H GLY 66 H GLY 66 28.594 4.813 -7.444 507 HA2 GLY 66 2HA GLY 66 29.925 3.239 -8.752 508 HA3 GLY 66 3HA GLY 66 30.779 2.835 -7.271 509 H LYS 67 H LYS 67 27.453 3.270 -6.805 510 HA LYS 67 HA LYS 67 26.996 0.363 -6.976 511 HB2 LYS 67 2HB LYS 67 25.423 0.715 -5.009 512 HB3 LYS 67 3HB LYS 67 27.144 0.821 -4.662 513 HG2 LYS 67 2HG LYS 67 27.076 3.131 -4.397 514 HG3 LYS 67 3HG LYS 67 25.539 3.278 -5.251 515 HD2 LYS 67 2HD LYS 67 24.338 2.862 -3.398 516 HD3 LYS 67 3HD LYS 67 25.427 1.578 -2.867 517 HE2 LYS 67 2HE LYS 67 27.005 3.263 -2.051 518 HE3 LYS 67 3HE LYS 67 25.916 4.543 -2.583 519 HZ1 LYS 67 1HZ LYS 67 25.757 4.014 -0.185 520 HZ2 LYS 67 2HZ LYS 67 25.188 2.472 -0.586 521 HZ3 LYS 67 3HZ LYS 67 24.289 3.842 -1.008 522 H SER 68 H SER 68 25.385 -0.195 -8.276 523 HA SER 68 HA SER 68 23.598 1.850 -9.303 524 HB2 SER 68 2HB SER 68 24.613 -0.705 -10.231 525 HB3 SER 68 3HB SER 68 22.863 -0.603 -10.424 526 HG SER 68 HG SER 68 23.850 0.259 -12.242 527 H GLY 69 H GLY 69 22.899 -1.531 -8.445 528 HA2 GLY 69 2HA GLY 69 21.126 -2.470 -7.331 529 HA3 GLY 69 3HA GLY 69 21.192 -1.053 -6.294 530 H GLU 70 H GLU 70 19.693 0.551 -6.527 531 HA GLU 70 HA GLU 70 17.199 -0.026 -7.543 532 HB2 GLU 70 2HB GLU 70 18.248 2.022 -6.094 533 HB3 GLU 70 3HB GLU 70 17.926 2.831 -7.622 534 HG2 GLU 70 2HG GLU 70 15.690 1.199 -6.818 535 HG3 GLU 70 3HG GLU 70 16.129 2.353 -5.560 536 H LEU 71 H LEU 71 19.970 1.326 -9.174 537 HA LEU 71 HA LEU 71 18.736 2.407 -11.434 538 HB2 LEU 71 2HB LEU 71 21.166 2.571 -10.713 539 HB3 LEU 71 3HB LEU 71 21.387 0.990 -11.460 540 HG LEU 71 HG LEU 71 20.786 1.911 -13.631 541 HD11 LEU 71 1HD1 LEU 71 20.743 4.529 -13.654 542 HD12 LEU 71 2HD1 LEU 71 20.168 4.326 -11.999 543 HD13 LEU 71 3HD1 LEU 71 19.272 3.608 -13.338 544 HD21 LEU 71 1HD2 LEU 71 23.090 1.978 -13.254 545 HD22 LEU 71 2HD2 LEU 71 22.954 3.279 -12.071 546 HD23 LEU 71 3HD2 LEU 71 22.697 3.614 -13.784 547 H LYS 72 H LYS 72 19.777 -0.897 -10.741 548 HA LYS 72 HA LYS 72 19.287 -1.973 -13.296 549 HB2 LYS 72 2HB LYS 72 20.625 -3.172 -11.670 550 HB3 LYS 72 3HB LYS 72 19.255 -3.285 -10.573 551 HG2 LYS 72 2HG LYS 72 19.492 -5.398 -11.604 552 HG3 LYS 72 3HG LYS 72 18.080 -4.630 -12.335 553 HD2 LYS 72 2HD LYS 72 19.560 -3.890 -14.213 554 HD3 LYS 72 3HD LYS 72 20.849 -4.870 -13.508 555 HE2 LYS 72 2HE LYS 72 19.628 -6.875 -13.852 556 HE3 LYS 72 3HE LYS 72 18.153 -5.991 -14.241 557 HZ1 LYS 72 1HZ LYS 72 20.079 -6.902 -16.005 558 HZ2 LYS 72 2HZ LYS 72 20.241 -5.219 -15.984 559 HZ3 LYS 72 3HZ LYS 72 18.748 -5.920 -16.359 560 H THR 73 H THR 73 17.274 -2.031 -10.355 561 HA THR 73 HA THR 73 15.049 -3.279 -11.528 562 HB THR 73 HB THR 73 14.809 -1.299 -9.274 563 HG1 THR 73 HG1 THR 73 16.220 -2.479 -8.234 564 HG21 THR 73 1HG2 THR 73 12.866 -2.345 -8.781 565 HG22 THR 73 2HG2 THR 73 13.496 -3.937 -9.203 566 HG23 THR 73 3HG2 THR 73 12.938 -2.846 -10.470 567 H TRP 74 H TRP 74 15.874 0.141 -11.136 568 HA TRP 74 HA TRP 74 13.480 1.254 -12.036 569 HB2 TRP 74 2HB TRP 74 15.250 2.577 -10.973 570 HB3 TRP 74 3HB TRP 74 16.294 2.320 -12.368 571 HD1 TRP 74 HD1 TRP 74 16.414 4.455 -13.755 572 HE1 TRP 74 HE1 TRP 74 14.763 6.295 -14.473 573 HE3 TRP 74 HE3 TRP 74 12.232 2.785 -11.334 574 HZ2 TRP 74 HZ2 TRP 74 12.048 6.952 -14.067 575 HZ3 TRP 74 HZ3 TRP 74 10.149 4.077 -11.550 576 HH2 TRP 74 HH2 TRP 74 10.062 6.118 -12.888 577 H GLY 75 H GLY 75 16.354 0.243 -13.855 578 HA2 GLY 75 2HA GLY 75 15.562 1.153 -16.380 579 HA3 GLY 75 3HA GLY 75 16.658 -0.189 -16.088 580 H LEU 76 H LEU 76 14.802 -1.852 -14.694 581 HA LEU 76 HA LEU 76 13.465 -3.001 -16.965 582 HB2 LEU 76 2HB LEU 76 13.910 -3.768 -14.124 583 HB3 LEU 76 3HB LEU 76 12.601 -4.550 -15.008 584 HG LEU 76 HG LEU 76 15.507 -4.573 -15.820 585 HD11 LEU 76 1HD1 LEU 76 15.073 -7.094 -15.283 586 HD12 LEU 76 2HD1 LEU 76 13.820 -6.444 -14.227 587 HD13 LEU 76 3HD1 LEU 76 15.502 -5.967 -13.996 588 HD21 LEU 76 1HD2 LEU 76 14.290 -6.610 -17.134 589 HD22 LEU 76 2HD2 LEU 76 14.592 -5.014 -17.823 590 HD23 LEU 76 3HD2 LEU 76 13.013 -5.394 -17.133 591 H VAL 77 H VAL 77 12.365 -1.809 -13.788 592 HA VAL 77 HA VAL 77 9.633 -2.058 -14.192 593 HB VAL 77 HB VAL 77 11.108 0.038 -12.594 594 HG11 VAL 77 1HG1 VAL 77 9.130 1.035 -12.360 595 HG12 VAL 77 2HG1 VAL 77 8.285 -0.291 -13.160 596 HG13 VAL 77 3HG1 VAL 77 8.628 -0.378 -11.432 597 HG21 VAL 77 1HG2 VAL 77 11.561 -2.277 -11.921 598 HG22 VAL 77 2HG2 VAL 77 10.645 -1.408 -10.690 599 HG23 VAL 77 3HG2 VAL 77 9.829 -2.560 -11.746 600 H LEU 78 H LEU 78 11.845 0.429 -15.287 601 HA LEU 78 HA LEU 78 9.786 2.232 -16.149 602 HB2 LEU 78 2HB LEU 78 12.148 2.851 -15.489 603 HB3 LEU 78 3HB LEU 78 12.658 2.198 -17.045 604 HG LEU 78 HG LEU 78 11.375 3.888 -18.213 605 HD11 LEU 78 1HD1 LEU 78 10.663 5.719 -16.230 606 HD12 LEU 78 2HD1 LEU 78 10.081 4.156 -15.657 607 HD13 LEU 78 3HD1 LEU 78 9.582 4.757 -17.238 608 HD21 LEU 78 1HD2 LEU 78 12.526 5.944 -16.914 609 HD22 LEU 78 2HD2 LEU 78 13.407 4.838 -17.967 610 HD23 LEU 78 3HD2 LEU 78 13.429 4.598 -16.220 611 H GLY 79 H GLY 79 11.431 -0.493 -17.497 612 HA2 GLY 79 2HA GLY 79 11.016 0.103 -20.247 613 HA3 GLY 79 3HA GLY 79 11.363 -1.482 -19.573 614 H ALA 80 H ALA 80 9.062 -1.493 -17.803 615 HA ALA 80 HA ALA 80 7.145 -2.551 -19.634 616 HB1 ALA 80 1HB ALA 80 7.434 -3.575 -17.468 617 HB2 ALA 80 2HB ALA 80 6.976 -2.074 -16.661 618 HB3 ALA 80 3HB ALA 80 5.786 -2.963 -17.613 619 H LEU 81 H LEU 81 7.163 0.264 -17.457 620 HA LEU 81 HA LEU 81 4.605 1.209 -18.175 621 HB2 LEU 81 2HB LEU 81 6.922 2.866 -17.203 622 HB3 LEU 81 3HB LEU 81 5.206 3.241 -17.062 623 HG LEU 81 HG LEU 81 6.112 0.748 -15.757 624 HD11 LEU 81 1HD1 LEU 81 7.124 1.794 -13.898 625 HD12 LEU 81 2HD1 LEU 81 6.708 3.404 -14.482 626 HD13 LEU 81 3HD1 LEU 81 7.927 2.448 -15.325 627 HD21 LEU 81 1HD2 LEU 81 4.487 2.944 -14.546 628 HD22 LEU 81 2HD2 LEU 81 4.397 1.203 -14.279 629 HD23 LEU 81 3HD2 LEU 81 3.781 1.899 -15.779 630 H LYS 82 H LYS 82 7.842 2.286 -19.206 631 HA LYS 82 HA LYS 82 7.097 4.242 -21.005 632 HB2 LYS 82 2HB LYS 82 9.437 2.360 -20.921 633 HB3 LYS 82 3HB LYS 82 9.257 3.507 -22.242 634 HG2 LYS 82 2HG LYS 82 9.044 5.283 -20.399 635 HG3 LYS 82 3HG LYS 82 9.716 4.046 -19.334 636 HD2 LYS 82 2HD LYS 82 11.711 3.904 -20.636 637 HD3 LYS 82 3HD LYS 82 11.019 4.909 -21.911 638 HE2 LYS 82 2HE LYS 82 11.054 6.838 -20.517 639 HE3 LYS 82 3HE LYS 82 11.449 5.877 -19.092 640 HZ1 LYS 82 1HZ LYS 82 13.487 6.710 -19.656 641 HZ2 LYS 82 2HZ LYS 82 13.178 6.695 -21.318 642 HZ3 LYS 82 3HZ LYS 82 13.523 5.250 -20.510 643 H ALA 83 H ALA 83 7.496 0.763 -21.599 644 HA ALA 83 HA ALA 83 6.892 0.840 -24.352 645 HB1 ALA 83 1HB ALA 83 6.969 -1.296 -22.274 646 HB2 ALA 83 2HB ALA 83 6.241 -1.647 -23.843 647 HB3 ALA 83 3HB ALA 83 7.922 -1.121 -23.749 648 H ALA 84 H ALA 84 4.900 0.921 -21.522 649 HA ALA 84 HA ALA 84 2.478 0.100 -22.825 650 HB1 ALA 84 1HB ALA 84 2.943 -0.137 -20.369 651 HB2 ALA 84 2HB ALA 84 2.716 1.607 -20.230 652 HB3 ALA 84 3HB ALA 84 1.385 0.584 -20.773 653 H ARG 85 H ARG 85 4.048 3.156 -22.079 654 HA ARG 85 HA ARG 85 1.873 4.851 -22.676 655 HB2 ARG 85 2HB ARG 85 4.738 5.135 -22.170 656 HB3 ARG 85 3HB ARG 85 4.124 6.317 -23.318 657 HG2 ARG 85 2HG ARG 85 2.600 7.197 -21.756 658 HG3 ARG 85 3HG ARG 85 2.812 5.827 -20.664 659 HD2 ARG 85 2HD ARG 85 4.300 7.086 -19.582 660 HD3 ARG 85 3HD ARG 85 5.369 6.826 -20.960 661 HE ARG 85 HE ARG 85 3.934 9.245 -20.295 662 HH11 ARG 85 1HH1 ARG 85 5.623 7.450 -22.754 663 HH12 ARG 85 2HH1 ARG 85 5.989 8.849 -23.708 664 HH21 ARG 85 1HH2 ARG 85 4.410 11.095 -21.542 665 HH22 ARG 85 2HH2 ARG 85 5.299 10.922 -23.017 666 H GLU 86 H GLU 86 4.372 3.386 -24.668 667 HA GLU 86 HA GLU 86 3.593 4.858 -27.028 668 HB2 GLU 86 2HB GLU 86 5.577 2.661 -26.492 669 HB3 GLU 86 3HB GLU 86 5.203 3.177 -28.130 670 HG2 GLU 86 2HG GLU 86 5.898 5.306 -26.210 671 HG3 GLU 86 3HG GLU 86 7.194 4.206 -26.675 672 H GLU 87 H GLU 87 3.393 1.487 -25.913 673 HA GLU 87 HA GLU 87 2.097 -0.265 -26.573 674 HB2 GLU 87 2HB GLU 87 0.403 1.631 -25.898 675 HB3 GLU 87 3HB GLU 87 0.043 1.642 -27.618 676 HG2 GLU 87 2HG GLU 87 -0.259 -0.903 -27.341 677 HG3 GLU 87 3HG GLU 87 -0.380 -0.538 -25.621 Start of MODEL 8 1 H1 SER 1 H SER 1 2.733 -0.334 1.353 2 HA SER 1 HA SER 1 1.420 0.759 -1.049 3 HB2 SER 1 2HB SER 1 4.404 0.589 -0.750 4 HB3 SER 1 3HB SER 1 3.451 1.660 -1.777 5 HG SER 1 HG SER 1 3.244 1.817 1.026 6 H GLU 2 H GLU 2 0.849 -1.809 -0.535 7 HA GLU 2 HA GLU 2 2.746 -3.500 -1.964 8 HB2 GLU 2 2HB GLU 2 0.217 -4.075 -0.428 9 HB3 GLU 2 3HB GLU 2 1.035 -5.303 -1.383 10 HG2 GLU 2 2HG GLU 2 2.969 -5.205 -0.020 11 HG3 GLU 2 3HG GLU 2 2.395 -3.754 0.800 12 H ALA 3 H ALA 3 -0.541 -2.252 -2.275 13 HA ALA 3 HA ALA 3 -1.367 -3.667 -4.522 14 HB1 ALA 3 1HB ALA 3 -2.599 -1.302 -4.915 15 HB2 ALA 3 2HB ALA 3 -3.130 -2.503 -3.736 16 HB3 ALA 3 3HB ALA 3 -2.137 -1.140 -3.220 17 H VAL 4 H VAL 4 0.311 -0.532 -4.354 18 HA VAL 4 HA VAL 4 0.440 0.015 -7.075 19 HB VAL 4 HB VAL 4 1.076 1.680 -5.438 20 HG11 VAL 4 1HG1 VAL 4 2.131 0.074 -3.847 21 HG12 VAL 4 2HG1 VAL 4 3.550 0.047 -4.896 22 HG13 VAL 4 3HG1 VAL 4 3.062 1.548 -4.109 23 HG21 VAL 4 1HG2 VAL 4 2.053 1.701 -7.763 24 HG22 VAL 4 2HG2 VAL 4 2.945 2.625 -6.553 25 HG23 VAL 4 3HG2 VAL 4 3.530 1.041 -7.060 26 H ILE 5 H ILE 5 2.524 -2.004 -5.074 27 HA ILE 5 HA ILE 5 4.492 -2.466 -7.077 28 HB ILE 5 HB ILE 5 3.832 -4.120 -4.638 29 HG12 ILE 5 2HG1 ILE 5 5.981 -2.027 -5.022 30 HG13 ILE 5 3HG1 ILE 5 4.457 -1.742 -4.189 31 HG21 ILE 5 1HG2 ILE 5 5.682 -4.525 -6.811 32 HG22 ILE 5 2HG2 ILE 5 6.532 -4.377 -5.274 33 HG23 ILE 5 3HG2 ILE 5 5.272 -5.595 -5.470 34 HD11 ILE 5 1HD1 ILE 5 5.369 -3.918 -2.866 35 HD12 ILE 5 2HD1 ILE 5 6.880 -3.107 -3.279 36 HD13 ILE 5 3HD1 ILE 5 5.640 -2.250 -2.363 37 H LYS 6 H LYS 6 1.439 -3.934 -6.275 38 HA LYS 6 HA LYS 6 1.829 -6.363 -7.706 39 HB2 LYS 6 2HB LYS 6 -0.653 -4.930 -6.760 40 HB3 LYS 6 3HB LYS 6 -0.702 -6.483 -7.584 41 HG2 LYS 6 2HG LYS 6 0.550 -7.522 -5.818 42 HG3 LYS 6 3HG LYS 6 0.796 -5.964 -5.024 43 HD2 LYS 6 2HD LYS 6 -1.964 -6.175 -5.364 44 HD3 LYS 6 3HD LYS 6 -1.443 -7.784 -4.860 45 HE2 LYS 6 2HE LYS 6 -0.251 -5.542 -3.372 46 HE3 LYS 6 3HE LYS 6 -1.988 -5.750 -3.158 47 HZ1 LYS 6 1HZ LYS 6 0.207 -7.487 -2.339 48 HZ2 LYS 6 2HZ LYS 6 -1.210 -8.249 -2.861 49 HZ3 LYS 6 3HZ LYS 6 -1.263 -7.162 -1.566 50 H VAL 7 H VAL 7 0.794 -3.155 -8.578 51 HA VAL 7 HA VAL 7 -0.400 -3.826 -11.071 52 HB VAL 7 HB VAL 7 0.823 -1.181 -10.281 53 HG11 VAL 7 1HG1 VAL 7 -1.380 -1.797 -12.244 54 HG12 VAL 7 2HG1 VAL 7 -0.653 -0.222 -11.922 55 HG13 VAL 7 3HG1 VAL 7 0.300 -1.496 -12.686 56 HG21 VAL 7 1HG2 VAL 7 -1.741 -2.486 -9.532 57 HG22 VAL 7 2HG2 VAL 7 -0.697 -1.423 -8.589 58 HG23 VAL 7 3HG2 VAL 7 -1.745 -0.749 -9.837 59 H ILE 8 H ILE 8 2.853 -2.887 -10.080 60 HA ILE 8 HA ILE 8 3.819 -2.891 -12.814 61 HB ILE 8 HB ILE 8 5.391 -2.630 -10.249 62 HG12 ILE 8 2HG1 ILE 8 4.293 -0.499 -12.096 63 HG13 ILE 8 3HG1 ILE 8 3.735 -0.838 -10.462 64 HG21 ILE 8 1HG2 ILE 8 6.154 -1.861 -13.061 65 HG22 ILE 8 2HG2 ILE 8 7.166 -1.768 -11.621 66 HG23 ILE 8 3HG2 ILE 8 6.674 -3.339 -12.252 67 HD11 ILE 8 1HD1 ILE 8 6.518 -0.387 -10.327 68 HD12 ILE 8 2HD1 ILE 8 5.811 0.895 -11.312 69 HD13 ILE 8 3HD1 ILE 8 5.210 0.603 -9.680 70 H SER 9 H SER 9 3.860 -4.974 -10.001 71 HA SER 9 HA SER 9 5.855 -6.768 -10.930 72 HB2 SER 9 2HB SER 9 5.279 -6.669 -8.566 73 HB3 SER 9 3HB SER 9 3.626 -7.172 -8.919 74 HG SER 9 HG SER 9 4.437 -9.167 -9.613 75 H SER 10 H SER 10 2.671 -6.216 -11.902 76 HA SER 10 HA SER 10 2.465 -8.902 -13.091 77 HB2 SER 10 2HB SER 10 0.601 -8.273 -11.582 78 HB3 SER 10 3HB SER 10 0.257 -6.885 -12.614 79 HG SER 10 HG SER 10 0.218 -9.592 -13.470 80 H ALA 11 H ALA 11 2.980 -5.617 -13.760 81 HA ALA 11 HA ALA 11 2.098 -5.834 -16.537 82 HB1 ALA 11 1HB ALA 11 3.149 -3.362 -16.393 83 HB2 ALA 11 2HB ALA 11 1.485 -3.743 -15.951 84 HB3 ALA 11 3HB ALA 11 2.721 -3.613 -14.700 85 H CYS 12 H CYS 12 4.971 -5.912 -14.612 86 HA CYS 12 HA CYS 12 6.766 -5.408 -16.814 87 HB2 CYS 12 2HB CYS 12 7.085 -6.082 -13.916 88 HB3 CYS 12 3HB CYS 12 8.449 -6.312 -15.002 89 HG CYS 12 HG CYS 12 6.819 -3.338 -14.533 90 H LYS 13 H LYS 13 5.465 -8.183 -15.115 91 HA LYS 13 HA LYS 13 7.223 -10.108 -16.253 92 HB2 LYS 13 2HB LYS 13 4.440 -10.589 -15.185 93 HB3 LYS 13 3HB LYS 13 5.741 -11.764 -15.331 94 HG2 LYS 13 2HG LYS 13 5.906 -9.338 -13.564 95 HG3 LYS 13 3HG LYS 13 5.304 -10.904 -13.016 96 HD2 LYS 13 2HD LYS 13 7.780 -11.300 -14.374 97 HD3 LYS 13 3HD LYS 13 7.987 -10.010 -13.187 98 HE2 LYS 13 2HE LYS 13 6.672 -12.629 -12.513 99 HE3 LYS 13 3HE LYS 13 8.415 -12.391 -12.396 100 HZ1 LYS 13 1HZ LYS 13 6.574 -11.817 -10.463 101 HZ2 LYS 13 2HZ LYS 13 6.956 -10.301 -11.108 102 HZ3 LYS 13 3HZ LYS 13 8.182 -11.293 -10.494 103 H THR 14 H THR 14 4.729 -8.293 -17.567 104 HA THR 14 HA THR 14 4.206 -10.290 -19.666 105 HB THR 14 HB THR 14 2.600 -7.858 -18.865 106 HG1 THR 14 HG1 THR 14 2.353 -9.720 -17.524 107 HG21 THR 14 1HG2 THR 14 1.113 -9.458 -20.615 108 HG22 THR 14 2HG2 THR 14 2.701 -9.294 -21.364 109 HG23 THR 14 3HG2 THR 14 1.775 -7.856 -20.937 110 H TYR 15 H TYR 15 5.174 -6.958 -19.067 111 HA TYR 15 HA TYR 15 5.458 -6.349 -21.872 112 HB2 TYR 15 2HB TYR 15 6.030 -4.868 -19.322 113 HB3 TYR 15 3HB TYR 15 6.630 -4.261 -20.861 114 HD1 TYR 15 HD1 TYR 15 3.394 -5.744 -19.699 115 HD2 TYR 15 HD2 TYR 15 5.358 -2.519 -21.660 116 HE1 TYR 15 HE1 TYR 15 1.216 -4.682 -20.121 117 HE2 TYR 15 HE2 TYR 15 3.186 -1.447 -22.086 118 HH TYR 15 HH TYR 15 0.327 -2.966 -21.940 119 H CYS 16 H CYS 16 7.576 -7.162 -19.171 120 HA CYS 16 HA CYS 16 9.964 -6.884 -20.781 121 HB2 CYS 16 2HB CYS 16 9.723 -8.091 -18.022 122 HB3 CYS 16 3HB CYS 16 11.177 -7.466 -18.791 123 HG CYS 16 HG CYS 16 10.664 -4.861 -18.470 124 H GLY 17 H GLY 17 8.318 -9.566 -19.098 125 HA2 GLY 17 2HA GLY 17 8.269 -11.818 -19.539 126 HA3 GLY 17 3HA GLY 17 8.610 -11.393 -21.210 127 H LYS 18 H LYS 18 9.842 -12.715 -18.317 128 HA LYS 18 HA LYS 18 11.796 -13.760 -17.803 129 HB2 LYS 18 2HB LYS 18 11.341 -14.628 -20.213 130 HB3 LYS 18 3HB LYS 18 12.655 -13.553 -20.673 131 HG2 LYS 18 2HG LYS 18 13.648 -14.962 -18.499 132 HG3 LYS 18 3HG LYS 18 12.746 -16.159 -19.433 133 HD2 LYS 18 2HD LYS 18 14.001 -15.106 -21.463 134 HD3 LYS 18 3HD LYS 18 15.119 -14.522 -20.229 135 HE2 LYS 18 2HE LYS 18 15.895 -16.603 -19.754 136 HE3 LYS 18 3HE LYS 18 14.347 -17.376 -20.093 137 HZ1 LYS 18 1HZ LYS 18 15.107 -16.469 -22.520 138 HZ2 LYS 18 2HZ LYS 18 15.335 -18.049 -21.960 139 HZ3 LYS 18 3HZ LYS 18 16.589 -16.919 -21.838 140 H THR 19 H THR 19 11.881 -11.226 -17.121 141 HA THR 19 HA THR 19 14.587 -10.563 -17.043 142 HB THR 19 HB THR 19 13.915 -8.259 -18.427 143 HG1 THR 19 HG1 THR 19 12.125 -9.751 -19.245 144 HG21 THR 19 1HG2 THR 19 15.319 -9.663 -20.277 145 HG22 THR 19 2HG2 THR 19 15.664 -10.594 -18.819 146 HG23 THR 19 3HG2 THR 19 16.040 -8.872 -18.876 147 H SER 20 H SER 20 11.257 -9.636 -16.760 148 HA SER 20 HA SER 20 11.301 -7.203 -15.536 149 HB2 SER 20 2HB SER 20 9.392 -8.289 -14.045 150 HB3 SER 20 3HB SER 20 9.153 -8.004 -15.769 151 HG SER 20 HG SER 20 9.273 -10.104 -16.155 152 HA PRO 21 HA PRO 21 13.387 -7.446 -11.686 153 HB2 PRO 21 2HB PRO 21 11.825 -5.917 -10.075 154 HB3 PRO 21 3HB PRO 21 12.837 -5.239 -11.356 155 HG2 PRO 21 2HG PRO 21 9.903 -5.831 -11.374 156 HG3 PRO 21 3HG PRO 21 10.762 -4.411 -11.998 157 HD2 PRO 21 2HD PRO 21 9.911 -6.421 -13.601 158 HD3 PRO 21 3HD PRO 21 11.380 -5.484 -13.943 159 H SER 22 H SER 22 12.680 -7.560 -9.147 160 HA SER 22 HA SER 22 10.900 -9.901 -8.940 161 HB2 SER 22 2HB SER 22 13.622 -9.755 -8.321 162 HB3 SER 22 3HB SER 22 12.805 -9.680 -6.760 163 HG SER 22 HG SER 22 12.408 -11.653 -8.764 164 H LYS 23 H LYS 23 9.822 -10.173 -6.861 165 HA LYS 23 HA LYS 23 8.410 -7.925 -6.053 166 HB2 LYS 23 2HB LYS 23 7.807 -10.363 -5.688 167 HB3 LYS 23 3HB LYS 23 8.899 -10.339 -4.309 168 HG2 LYS 23 2HG LYS 23 7.531 -8.441 -3.393 169 HG3 LYS 23 3HG LYS 23 6.368 -8.761 -4.681 170 HD2 LYS 23 2HD LYS 23 5.510 -9.986 -2.908 171 HD3 LYS 23 3HD LYS 23 6.433 -11.198 -3.800 172 HE2 LYS 23 2HE LYS 23 7.316 -11.647 -1.779 173 HE3 LYS 23 3HE LYS 23 8.338 -10.254 -2.133 174 HZ1 LYS 23 1HZ LYS 23 7.541 -9.717 -0.074 175 HZ2 LYS 23 2HZ LYS 23 6.040 -10.457 -0.318 176 HZ3 LYS 23 3HZ LYS 23 6.375 -8.965 -1.042 177 H LYS 24 H LYS 24 11.494 -9.110 -5.008 178 HA LYS 24 HA LYS 24 11.558 -7.490 -2.612 179 HB2 LYS 24 2HB LYS 24 12.721 -9.610 -2.578 180 HB3 LYS 24 3HB LYS 24 13.670 -9.158 -3.988 181 HG2 LYS 24 2HG LYS 24 13.857 -7.368 -1.647 182 HG3 LYS 24 3HG LYS 24 14.580 -8.970 -1.485 183 HD2 LYS 24 2HD LYS 24 15.565 -8.344 -3.871 184 HD3 LYS 24 3HD LYS 24 15.336 -6.706 -3.255 185 HE2 LYS 24 2HE LYS 24 16.500 -8.057 -1.140 186 HE3 LYS 24 3HE LYS 24 17.328 -8.702 -2.555 187 HZ1 LYS 24 1HZ LYS 24 18.589 -6.887 -2.373 188 HZ2 LYS 24 2HZ LYS 24 17.487 -6.083 -1.373 189 HZ3 LYS 24 3HZ LYS 24 17.284 -6.050 -3.052 190 H GLU 25 H GLU 25 12.916 -7.404 -5.868 191 HA GLU 25 HA GLU 25 14.607 -5.177 -5.476 192 HB2 GLU 25 2HB GLU 25 13.282 -6.057 -8.046 193 HB3 GLU 25 3HB GLU 25 14.711 -5.045 -7.898 194 HG2 GLU 25 2HG GLU 25 14.627 -7.845 -6.830 195 HG3 GLU 25 3HG GLU 25 15.063 -7.485 -8.499 196 H ILE 26 H ILE 26 11.291 -5.448 -6.714 197 HA ILE 26 HA ILE 26 10.855 -2.787 -7.376 198 HB ILE 26 HB ILE 26 8.853 -4.739 -6.233 199 HG12 ILE 26 2HG1 ILE 26 9.382 -4.062 -9.129 200 HG13 ILE 26 3HG1 ILE 26 10.113 -5.441 -8.314 201 HG21 ILE 26 1HG2 ILE 26 7.996 -2.495 -6.094 202 HG22 ILE 26 2HG2 ILE 26 8.469 -2.170 -7.761 203 HG23 ILE 26 3HG2 ILE 26 7.189 -3.334 -7.419 204 HD11 ILE 26 1HD1 ILE 26 7.200 -5.271 -8.061 205 HD12 ILE 26 2HD1 ILE 26 7.798 -5.522 -9.701 206 HD13 ILE 26 3HD1 ILE 26 8.237 -6.652 -8.420 207 H GLY 27 H GLY 27 10.935 -4.335 -4.252 208 HA2 GLY 27 2HA GLY 27 9.756 -2.057 -2.893 209 HA3 GLY 27 3HA GLY 27 10.366 -3.523 -2.140 210 H ALA 28 H ALA 28 12.862 -2.969 -3.937 211 HA ALA 28 HA ALA 28 14.222 -1.390 -1.893 212 HB1 ALA 28 1HB ALA 28 16.223 -2.148 -3.496 213 HB2 ALA 28 2HB ALA 28 15.571 -3.178 -2.222 214 HB3 ALA 28 3HB ALA 28 15.050 -3.405 -3.891 215 H MET 29 H MET 29 12.726 -0.844 -4.803 216 HA MET 29 HA MET 29 14.512 1.402 -5.465 217 HB2 MET 29 2HB MET 29 14.251 -0.221 -7.282 218 HB3 MET 29 3HB MET 29 12.504 -0.029 -7.216 219 HG2 MET 29 2HG MET 29 14.120 2.413 -7.638 220 HG3 MET 29 3HG MET 29 14.031 1.257 -8.965 221 HE1 MET 29 1HE MET 29 11.552 0.970 -10.491 222 HE2 MET 29 2HE MET 29 11.622 -0.039 -9.046 223 HE3 MET 29 3HE MET 29 10.171 0.902 -9.396 224 H LEU 30 H LEU 30 11.068 0.490 -5.402 225 HA LEU 30 HA LEU 30 9.940 2.975 -5.789 226 HB2 LEU 30 2HB LEU 30 9.107 0.458 -4.521 227 HB3 LEU 30 3HB LEU 30 8.220 1.887 -3.994 228 HG LEU 30 HG LEU 30 7.485 2.326 -6.242 229 HD11 LEU 30 1HD1 LEU 30 9.341 0.079 -6.971 230 HD12 LEU 30 2HD1 LEU 30 9.328 1.734 -7.579 231 HD13 LEU 30 3HD1 LEU 30 8.039 0.618 -8.032 232 HD21 LEU 30 1HD2 LEU 30 5.821 0.924 -5.818 233 HD22 LEU 30 2HD2 LEU 30 6.871 -0.053 -4.791 234 HD23 LEU 30 3HD2 LEU 30 6.766 -0.389 -6.520 235 H SER 31 H SER 31 10.954 1.497 -2.723 236 HA SER 31 HA SER 31 10.166 3.667 -1.088 237 HB2 SER 31 2HB SER 31 10.506 1.516 -0.072 238 HB3 SER 31 3HB SER 31 12.171 1.446 -0.649 239 HG SER 31 HG SER 31 11.603 2.184 1.652 240 H LEU 32 H LEU 32 13.108 2.924 -2.845 241 HA LEU 32 HA LEU 32 14.790 4.833 -1.637 242 HB2 LEU 32 2HB LEU 32 15.689 3.047 -2.979 243 HB3 LEU 32 3HB LEU 32 14.830 3.633 -4.401 244 HG LEU 32 HG LEU 32 16.271 5.508 -4.606 245 HD11 LEU 32 1HD1 LEU 32 18.240 5.491 -2.790 246 HD12 LEU 32 2HD1 LEU 32 16.916 4.891 -1.793 247 HD13 LEU 32 3HD1 LEU 32 16.767 6.445 -2.612 248 HD21 LEU 32 1HD2 LEU 32 18.456 4.459 -4.864 249 HD22 LEU 32 2HD2 LEU 32 17.173 3.397 -5.445 250 HD23 LEU 32 3HD2 LEU 32 17.928 3.095 -3.879 251 H LEU 33 H LEU 33 12.869 4.994 -4.632 252 HA LEU 33 HA LEU 33 13.510 7.549 -5.446 253 HB2 LEU 33 2HB LEU 33 10.808 6.221 -5.606 254 HB3 LEU 33 3HB LEU 33 11.342 7.593 -6.576 255 HG LEU 33 HG LEU 33 12.350 4.755 -6.706 256 HD11 LEU 33 1HD1 LEU 33 10.287 5.014 -7.868 257 HD12 LEU 33 2HD1 LEU 33 11.575 4.989 -9.072 258 HD13 LEU 33 3HD1 LEU 33 10.826 6.519 -8.613 259 HD21 LEU 33 1HD2 LEU 33 13.857 5.514 -8.458 260 HD22 LEU 33 2HD2 LEU 33 14.214 6.330 -6.935 261 HD23 LEU 33 3HD2 LEU 33 13.335 7.180 -8.206 262 H GLN 34 H GLN 34 11.293 6.528 -2.925 263 HA GLN 34 HA GLN 34 10.095 9.076 -2.514 264 HB2 GLN 34 2HB GLN 34 10.323 6.737 -0.612 265 HB3 GLN 34 3HB GLN 34 9.239 8.109 -0.428 266 HG2 GLN 34 2HG GLN 34 7.968 7.466 -2.328 267 HG3 GLN 34 3HG GLN 34 9.154 6.243 -2.781 268 HE21 GLN 34 1HE2 GLN 34 7.095 7.151 -0.038 269 HE22 GLN 34 2HE2 GLN 34 6.644 5.537 0.379 270 H LYS 35 H LYS 35 12.522 7.272 -0.622 271 HA LYS 35 HA LYS 35 13.102 9.273 1.223 272 HB2 LYS 35 2HB LYS 35 15.014 7.208 0.116 273 HB3 LYS 35 3HB LYS 35 15.195 8.081 1.632 274 HG2 LYS 35 2HG LYS 35 13.702 6.783 2.718 275 HG3 LYS 35 3HG LYS 35 12.688 6.561 1.290 276 HD2 LYS 35 2HD LYS 35 14.079 4.865 0.438 277 HD3 LYS 35 3HD LYS 35 15.397 5.281 1.536 278 HE2 LYS 35 2HE LYS 35 12.732 4.272 2.500 279 HE3 LYS 35 3HE LYS 35 14.067 3.194 2.094 280 HZ1 LYS 35 1HZ LYS 35 13.633 4.601 4.478 281 HZ2 LYS 35 2HZ LYS 35 15.052 5.195 3.775 282 HZ3 LYS 35 3HZ LYS 35 14.897 3.542 4.100 283 H GLU 36 H GLU 36 14.510 8.648 -1.964 284 HA GLU 36 HA GLU 36 16.538 10.593 -1.845 285 HB2 GLU 36 2HB GLU 36 15.506 8.766 -3.768 286 HB3 GLU 36 3HB GLU 36 15.594 10.349 -4.527 287 HG2 GLU 36 2HG GLU 36 17.994 9.910 -3.064 288 HG3 GLU 36 3HG GLU 36 17.675 8.500 -4.072 289 H GLY 37 H GLY 37 13.158 10.901 -2.098 290 HA2 GLY 37 2HA GLY 37 11.941 12.888 -1.974 291 HA3 GLY 37 3HA GLY 37 13.409 13.782 -2.335 292 H LEU 38 H LEU 38 12.563 11.126 -4.373 293 HA LEU 38 HA LEU 38 12.279 12.912 -6.623 294 HB2 LEU 38 2HB LEU 38 12.209 9.912 -6.377 295 HB3 LEU 38 3HB LEU 38 12.023 10.770 -7.905 296 HG LEU 38 HG LEU 38 14.471 10.818 -6.141 297 HD11 LEU 38 1HD1 LEU 38 14.732 8.790 -7.094 298 HD12 LEU 38 2HD1 LEU 38 15.282 9.753 -8.464 299 HD13 LEU 38 3HD1 LEU 38 13.627 9.146 -8.421 300 HD21 LEU 38 1HD2 LEU 38 15.060 11.728 -8.716 301 HD22 LEU 38 2HD2 LEU 38 15.010 12.677 -7.230 302 HD23 LEU 38 3HD2 LEU 38 13.575 12.558 -8.251 303 H LEU 39 H LEU 39 10.225 10.821 -4.690 304 HA LEU 39 HA LEU 39 7.879 12.136 -5.794 305 HB2 LEU 39 2HB LEU 39 6.777 9.817 -5.970 306 HB3 LEU 39 3HB LEU 39 7.827 10.365 -7.276 307 HG LEU 39 HG LEU 39 9.663 9.007 -6.079 308 HD11 LEU 39 1HD1 LEU 39 8.002 6.988 -5.092 309 HD12 LEU 39 2HD1 LEU 39 7.401 8.487 -4.384 310 HD13 LEU 39 3HD1 LEU 39 9.091 8.028 -4.173 311 HD21 LEU 39 1HD2 LEU 39 9.340 7.483 -7.683 312 HD22 LEU 39 2HD2 LEU 39 7.940 8.456 -8.135 313 HD23 LEU 39 3HD2 LEU 39 7.738 7.055 -7.083 314 H MET 40 H MET 40 6.049 12.026 -4.449 315 HA MET 40 HA MET 40 6.617 11.842 -1.678 316 HB2 MET 40 2HB MET 40 4.128 12.173 -1.431 317 HB3 MET 40 3HB MET 40 4.963 13.409 -2.362 318 HG2 MET 40 2HG MET 40 4.164 11.479 -4.219 319 HG3 MET 40 3HG MET 40 2.796 11.694 -3.129 320 HE1 MET 40 1HE MET 40 5.343 13.504 -5.505 321 HE2 MET 40 2HE MET 40 4.778 15.173 -5.426 322 HE3 MET 40 3HE MET 40 5.498 14.417 -4.004 323 H SER 41 H SER 41 4.969 9.724 -3.966 324 HA SER 41 HA SER 41 5.175 7.550 -2.018 325 HB2 SER 41 2HB SER 41 2.684 8.742 -2.994 326 HB3 SER 41 3HB SER 41 2.762 6.997 -3.238 327 HG SER 41 HG SER 41 1.915 7.755 -1.153 328 HA PRO 42 HA PRO 42 6.430 5.067 -5.407 329 HB2 PRO 42 2HB PRO 42 5.281 2.671 -4.851 330 HB3 PRO 42 3HB PRO 42 6.645 3.319 -3.932 331 HG2 PRO 42 2HG PRO 42 3.727 3.350 -3.265 332 HG3 PRO 42 3HG PRO 42 5.111 3.005 -2.213 333 HD2 PRO 42 2HD PRO 42 3.860 5.406 -2.233 334 HD3 PRO 42 3HD PRO 42 5.597 5.237 -1.908 335 H SER 43 H SER 43 3.150 5.796 -4.942 336 HA SER 43 HA SER 43 2.179 4.340 -7.249 337 HB2 SER 43 2HB SER 43 0.270 6.265 -6.461 338 HB3 SER 43 3HB SER 43 0.258 4.536 -6.114 339 HG SER 43 HG SER 43 0.214 6.088 -4.270 340 H ASP 44 H ASP 44 3.960 7.074 -6.861 341 HA ASP 44 HA ASP 44 2.676 8.759 -8.810 342 HB2 ASP 44 2HB ASP 44 4.344 9.335 -6.807 343 HB3 ASP 44 3HB ASP 44 5.538 9.156 -8.090 344 H LEU 45 H LEU 45 4.334 5.942 -9.085 345 HA LEU 45 HA LEU 45 6.111 6.453 -11.225 346 HB2 LEU 45 2HB LEU 45 4.771 3.984 -10.180 347 HB3 LEU 45 3HB LEU 45 5.766 3.934 -11.634 348 HG LEU 45 HG LEU 45 6.670 4.673 -8.852 349 HD11 LEU 45 1HD1 LEU 45 7.082 2.275 -10.612 350 HD12 LEU 45 2HD1 LEU 45 6.449 2.337 -8.968 351 HD13 LEU 45 3HD1 LEU 45 8.157 2.657 -9.267 352 HD21 LEU 45 1HD2 LEU 45 8.942 4.681 -9.936 353 HD22 LEU 45 2HD2 LEU 45 7.900 6.044 -10.344 354 HD23 LEU 45 3HD2 LEU 45 8.114 4.722 -11.492 355 H TYR 46 H TYR 46 2.741 6.421 -11.078 356 HA TYR 46 HA TYR 46 2.304 5.554 -13.803 357 HB2 TYR 46 2HB TYR 46 0.368 6.832 -11.862 358 HB3 TYR 46 3HB TYR 46 -0.048 6.019 -13.367 359 HD1 TYR 46 HD1 TYR 46 1.317 3.552 -13.393 360 HD2 TYR 46 HD2 TYR 46 -0.293 5.604 -10.032 361 HE1 TYR 46 HE1 TYR 46 1.123 1.416 -12.190 362 HE2 TYR 46 HE2 TYR 46 -0.490 3.474 -8.818 363 HH TYR 46 HH TYR 46 -0.488 1.197 -9.084 364 H SER 47 H SER 47 3.681 8.207 -12.661 365 HA SER 47 HA SER 47 2.329 10.044 -14.521 366 HB2 SER 47 2HB SER 47 3.276 10.384 -11.851 367 HB3 SER 47 3HB SER 47 4.233 11.423 -12.907 368 HG SER 47 HG SER 47 2.555 12.655 -13.170 369 HA PRO 48 HA PRO 48 6.181 9.036 -16.772 370 HB2 PRO 48 2HB PRO 48 5.099 9.470 -19.224 371 HB3 PRO 48 3HB PRO 48 4.928 7.940 -18.356 372 HG2 PRO 48 2HG PRO 48 2.993 10.212 -18.589 373 HG3 PRO 48 3HG PRO 48 2.689 8.468 -18.691 374 HD2 PRO 48 2HD PRO 48 2.188 9.905 -16.452 375 HD3 PRO 48 3HD PRO 48 2.696 8.205 -16.401 376 H GLY 49 H GLY 49 7.172 10.950 -15.940 377 HA2 GLY 49 2HA GLY 49 7.657 12.943 -17.874 378 HA3 GLY 49 3HA GLY 49 6.526 13.570 -16.684 379 H SER 50 H SER 50 7.698 12.008 -14.499 380 HA SER 50 HA SER 50 9.904 13.818 -13.921 381 HB2 SER 50 2HB SER 50 8.123 12.058 -12.285 382 HB3 SER 50 3HB SER 50 9.690 12.528 -11.626 383 HG SER 50 HG SER 50 7.422 13.989 -11.884 384 H TRP 51 H TRP 51 9.681 10.969 -15.438 385 HA TRP 51 HA TRP 51 11.660 9.390 -14.153 386 HB2 TRP 51 2HB TRP 51 10.685 9.345 -17.017 387 HB3 TRP 51 3HB TRP 51 11.687 8.104 -16.269 388 HD1 TRP 51 HD1 TRP 51 9.844 8.352 -13.456 389 HE1 TRP 51 HE1 TRP 51 7.629 7.040 -13.447 390 HE3 TRP 51 HE3 TRP 51 9.252 7.726 -18.495 391 HZ2 TRP 51 HZ2 TRP 51 5.865 5.892 -15.328 392 HZ3 TRP 51 HZ3 TRP 51 7.275 6.508 -19.308 393 HH2 TRP 51 HH2 TRP 51 5.618 5.611 -17.756 394 H ASP 52 H ASP 52 11.797 12.115 -16.238 395 HA ASP 52 HA ASP 52 14.293 11.714 -17.460 396 HB2 ASP 52 2HB ASP 52 12.458 13.964 -17.030 397 HB3 ASP 52 3HB ASP 52 14.151 14.437 -17.143 398 HA PRO 53 HA PRO 53 16.264 14.205 -13.833 399 HB2 PRO 53 2HB PRO 53 14.690 14.780 -11.696 400 HB3 PRO 53 3HB PRO 53 14.830 15.845 -13.101 401 HG2 PRO 53 2HG PRO 53 12.691 13.859 -12.434 402 HG3 PRO 53 3HG PRO 53 12.530 15.503 -13.078 403 HD2 PRO 53 2HD PRO 53 12.350 13.302 -14.644 404 HD3 PRO 53 3HD PRO 53 13.008 14.842 -15.233 405 H ILE 54 H ILE 54 13.918 11.708 -13.182 406 HA ILE 54 HA ILE 54 15.219 10.754 -10.797 407 HB ILE 54 HB ILE 54 13.028 9.587 -12.509 408 HG12 ILE 54 2HG1 ILE 54 12.935 10.605 -9.666 409 HG13 ILE 54 3HG1 ILE 54 12.578 11.616 -11.062 410 HG21 ILE 54 1HG2 ILE 54 14.577 8.403 -10.275 411 HG22 ILE 54 2HG2 ILE 54 12.836 8.125 -10.300 412 HG23 ILE 54 3HG2 ILE 54 13.827 7.629 -11.671 413 HD11 ILE 54 1HD1 ILE 54 11.094 9.091 -10.960 414 HD12 ILE 54 2HD1 ILE 54 10.737 10.228 -9.659 415 HD13 ILE 54 3HD1 ILE 54 10.546 10.724 -11.341 416 H THR 55 H THR 55 15.047 9.771 -14.192 417 HA THR 55 HA THR 55 16.590 7.408 -13.888 418 HB THR 55 HB THR 55 16.050 9.085 -16.344 419 HG1 THR 55 HG1 THR 55 14.179 8.120 -16.163 420 HG21 THR 55 1HG2 THR 55 17.779 6.770 -15.923 421 HG22 THR 55 2HG2 THR 55 17.692 7.883 -17.288 422 HG23 THR 55 3HG2 THR 55 16.577 6.521 -17.189 423 H ALA 56 H ALA 56 17.383 10.753 -14.662 424 HA ALA 56 HA ALA 56 20.116 10.250 -15.303 425 HB1 ALA 56 1HB ALA 56 20.288 12.486 -15.700 426 HB2 ALA 56 2HB ALA 56 18.536 12.315 -15.806 427 HB3 ALA 56 3HB ALA 56 19.274 12.923 -14.324 428 H ALA 57 H ALA 57 18.359 10.705 -12.361 429 HA ALA 57 HA ALA 57 20.621 11.458 -10.760 430 HB1 ALA 57 1HB ALA 57 17.837 10.555 -10.058 431 HB2 ALA 57 2HB ALA 57 19.052 10.983 -8.853 432 HB3 ALA 57 3HB ALA 57 18.493 12.192 -10.008 433 H LEU 58 H LEU 58 18.605 8.512 -10.875 434 HA LEU 58 HA LEU 58 20.161 6.946 -9.190 435 HB2 LEU 58 2HB LEU 58 18.498 6.097 -11.556 436 HB3 LEU 58 3HB LEU 58 19.117 5.009 -10.315 437 HG LEU 58 HG LEU 58 17.352 7.292 -9.534 438 HD11 LEU 58 1HD1 LEU 58 16.387 4.637 -10.587 439 HD12 LEU 58 2HD1 LEU 58 16.189 6.198 -11.382 440 HD13 LEU 58 3HD1 LEU 58 15.389 5.886 -9.842 441 HD21 LEU 58 1HD2 LEU 58 17.656 4.496 -8.448 442 HD22 LEU 58 2HD2 LEU 58 16.772 5.834 -7.713 443 HD23 LEU 58 3HD2 LEU 58 18.530 5.904 -7.845 444 H SER 59 H SER 59 20.633 7.801 -12.526 445 HA SER 59 HA SER 59 22.549 5.760 -13.108 446 HB2 SER 59 2HB SER 59 21.343 6.756 -14.942 447 HB3 SER 59 3HB SER 59 21.892 8.370 -14.491 448 HG SER 59 HG SER 59 23.781 7.992 -15.386 449 H GLN 60 H GLN 60 22.660 8.903 -11.653 450 HA GLN 60 HA GLN 60 25.518 9.199 -11.964 451 HB2 GLN 60 2HB GLN 60 24.265 11.225 -11.971 452 HB3 GLN 60 3HB GLN 60 23.423 10.789 -10.490 453 HG2 GLN 60 2HG GLN 60 24.997 11.703 -9.230 454 HG3 GLN 60 3HG GLN 60 26.275 10.838 -10.082 455 HE21 GLN 60 1HE2 GLN 60 27.135 11.782 -12.006 456 HE22 GLN 60 2HE2 GLN 60 27.086 13.494 -12.233 457 H ARG 61 H ARG 61 23.249 8.441 -9.351 458 HA ARG 61 HA ARG 61 25.029 8.347 -7.225 459 HB2 ARG 61 2HB ARG 61 22.404 7.990 -7.398 460 HB3 ARG 61 3HB ARG 61 22.871 6.295 -7.374 461 HG2 ARG 61 2HG ARG 61 24.245 6.943 -5.286 462 HG3 ARG 61 3HG ARG 61 23.215 8.375 -5.258 463 HD2 ARG 61 2HD ARG 61 21.239 7.019 -5.099 464 HD3 ARG 61 3HD ARG 61 22.181 5.546 -5.327 465 HE ARG 61 HE ARG 61 23.087 6.997 -3.062 466 HH11 ARG 61 1HH1 ARG 61 20.527 4.914 -4.170 467 HH12 ARG 61 2HH1 ARG 61 20.169 4.297 -2.591 468 HH21 ARG 61 1HH2 ARG 61 22.626 6.191 -0.979 469 HH22 ARG 61 2HH2 ARG 61 21.363 5.024 -0.777 470 H ALA 62 H ALA 62 24.002 5.667 -9.338 471 HA ALA 62 HA ALA 62 25.576 3.664 -8.230 472 HB1 ALA 62 1HB ALA 62 25.345 2.507 -10.375 473 HB2 ALA 62 2HB ALA 62 23.817 3.216 -9.852 474 HB3 ALA 62 3HB ALA 62 24.765 3.999 -11.116 475 H MET 63 H MET 63 26.466 6.320 -10.271 476 HA MET 63 HA MET 63 29.023 5.187 -11.010 477 HB2 MET 63 2HB MET 63 27.663 7.820 -11.503 478 HB3 MET 63 3HB MET 63 29.372 7.612 -11.861 479 HG2 MET 63 2HG MET 63 28.952 6.019 -13.517 480 HG3 MET 63 3HG MET 63 27.305 5.742 -12.954 481 HE1 MET 63 1HE MET 63 29.688 8.556 -14.306 482 HE2 MET 63 2HE MET 63 28.523 9.765 -14.847 483 HE3 MET 63 3HE MET 63 28.679 9.398 -13.129 484 H ILE 64 H ILE 64 27.822 7.727 -8.849 485 HA ILE 64 HA ILE 64 30.368 8.552 -7.924 486 HB ILE 64 HB ILE 64 27.685 8.798 -6.557 487 HG12 ILE 64 2HG1 ILE 64 29.152 10.902 -8.147 488 HG13 ILE 64 3HG1 ILE 64 27.966 9.826 -8.877 489 HG21 ILE 64 1HG2 ILE 64 29.310 10.923 -5.811 490 HG22 ILE 64 2HG2 ILE 64 28.858 9.538 -4.818 491 HG23 ILE 64 3HG2 ILE 64 30.364 9.511 -5.735 492 HD11 ILE 64 1HD1 ILE 64 27.236 12.166 -8.084 493 HD12 ILE 64 2HD1 ILE 64 26.207 10.780 -7.725 494 HD13 ILE 64 3HD1 ILE 64 27.254 11.448 -6.473 495 H LEU 65 H LEU 65 28.216 5.970 -7.023 496 HA LEU 65 HA LEU 65 29.863 5.346 -4.677 497 HB2 LEU 65 2HB LEU 65 27.069 5.018 -5.356 498 HB3 LEU 65 3HB LEU 65 27.786 3.503 -4.810 499 HG LEU 65 HG LEU 65 28.338 5.857 -3.121 500 HD11 LEU 65 1HD1 LEU 65 25.865 5.936 -3.970 501 HD12 LEU 65 2HD1 LEU 65 26.236 6.183 -2.264 502 HD13 LEU 65 3HD1 LEU 65 25.645 4.617 -2.820 503 HD21 LEU 65 1HD2 LEU 65 27.608 4.067 -1.408 504 HD22 LEU 65 2HD2 LEU 65 29.134 3.851 -2.266 505 HD23 LEU 65 3HD2 LEU 65 27.702 2.952 -2.772 506 H GLY 66 H GLY 66 28.195 3.465 -7.216 507 HA2 GLY 66 2HA GLY 66 29.504 2.104 -8.758 508 HA3 GLY 66 3HA GLY 66 30.642 1.829 -7.448 509 H LYS 67 H LYS 67 27.095 1.595 -7.595 510 HA LYS 67 HA LYS 67 27.349 -1.241 -6.837 511 HB2 LYS 67 2HB LYS 67 25.136 -0.847 -5.598 512 HB3 LYS 67 3HB LYS 67 26.606 -0.227 -4.857 513 HG2 LYS 67 2HG LYS 67 26.088 2.002 -5.799 514 HG3 LYS 67 3HG LYS 67 24.562 1.352 -6.404 515 HD2 LYS 67 2HD LYS 67 24.846 0.687 -3.636 516 HD3 LYS 67 3HD LYS 67 25.109 2.419 -3.850 517 HE2 LYS 67 2HE LYS 67 22.737 0.878 -4.898 518 HE3 LYS 67 3HE LYS 67 22.743 1.851 -3.428 519 HZ1 LYS 67 1HZ LYS 67 23.697 3.539 -5.340 520 HZ2 LYS 67 2HZ LYS 67 22.119 3.521 -4.733 521 HZ3 LYS 67 3HZ LYS 67 22.487 2.681 -6.154 522 H SER 68 H SER 68 25.190 1.205 -8.249 523 HA SER 68 HA SER 68 23.577 1.077 -9.851 524 HB2 SER 68 2HB SER 68 24.191 0.023 -11.830 525 HB3 SER 68 3HB SER 68 25.751 0.194 -11.024 526 HG SER 68 HG SER 68 24.317 -2.073 -11.631 527 H GLY 69 H GLY 69 23.211 -0.447 -7.377 528 HA2 GLY 69 2HA GLY 69 21.956 -2.937 -8.027 529 HA3 GLY 69 3HA GLY 69 21.877 -2.104 -6.482 530 H GLU 70 H GLU 70 20.420 -0.167 -6.419 531 HA GLU 70 HA GLU 70 17.815 -0.871 -7.062 532 HB2 GLU 70 2HB GLU 70 19.046 1.814 -6.455 533 HB3 GLU 70 3HB GLU 70 17.316 1.597 -6.681 534 HG2 GLU 70 2HG GLU 70 17.281 1.284 -4.474 535 HG3 GLU 70 3HG GLU 70 17.856 -0.338 -4.858 536 H LEU 71 H LEU 71 20.225 0.719 -8.980 537 HA LEU 71 HA LEU 71 18.599 1.990 -10.874 538 HB2 LEU 71 2HB LEU 71 21.353 1.465 -10.508 539 HB3 LEU 71 3HB LEU 71 20.932 0.936 -12.135 540 HG LEU 71 HG LEU 71 20.623 3.703 -10.980 541 HD11 LEU 71 1HD1 LEU 71 22.633 2.352 -12.594 542 HD12 LEU 71 2HD1 LEU 71 22.724 3.872 -11.706 543 HD13 LEU 71 3HD1 LEU 71 22.037 3.840 -13.329 544 HD21 LEU 71 1HD2 LEU 71 19.551 2.467 -13.487 545 HD22 LEU 71 2HD2 LEU 71 19.964 4.181 -13.434 546 HD23 LEU 71 3HD2 LEU 71 18.747 3.532 -12.334 547 H LYS 72 H LYS 72 19.877 -1.308 -10.751 548 HA LYS 72 HA LYS 72 19.116 -2.216 -13.250 549 HB2 LYS 72 2HB LYS 72 20.468 -3.493 -11.595 550 HB3 LYS 72 3HB LYS 72 19.001 -3.792 -10.671 551 HG2 LYS 72 2HG LYS 72 19.268 -5.739 -11.890 552 HG3 LYS 72 3HG LYS 72 18.099 -4.828 -12.848 553 HD2 LYS 72 2HD LYS 72 19.606 -4.393 -14.523 554 HD3 LYS 72 3HD LYS 72 20.999 -4.494 -13.443 555 HE2 LYS 72 2HE LYS 72 20.242 -7.014 -13.266 556 HE3 LYS 72 3HE LYS 72 19.493 -6.663 -14.823 557 HZ1 LYS 72 1HZ LYS 72 21.470 -6.568 -15.842 558 HZ2 LYS 72 2HZ LYS 72 22.034 -7.445 -14.510 559 HZ3 LYS 72 3HZ LYS 72 22.230 -5.765 -14.561 560 H THR 73 H THR 73 17.192 -1.933 -10.303 561 HA THR 73 HA THR 73 14.873 -3.199 -11.365 562 HB THR 73 HB THR 73 14.707 -1.184 -9.155 563 HG1 THR 73 HG1 THR 73 15.360 -3.088 -7.796 564 HG21 THR 73 1HG2 THR 73 13.454 -3.565 -8.454 565 HG22 THR 73 2HG2 THR 73 13.135 -3.394 -10.180 566 HG23 THR 73 3HG2 THR 73 12.674 -2.107 -9.067 567 H TRP 74 H TRP 74 15.980 0.140 -11.157 568 HA TRP 74 HA TRP 74 13.577 1.367 -11.982 569 HB2 TRP 74 2HB TRP 74 15.427 2.594 -10.904 570 HB3 TRP 74 3HB TRP 74 16.420 2.344 -12.337 571 HD1 TRP 74 HD1 TRP 74 16.572 4.536 -13.632 572 HE1 TRP 74 HE1 TRP 74 14.948 6.429 -14.267 573 HE3 TRP 74 HE3 TRP 74 12.387 2.859 -11.220 574 HZ2 TRP 74 HZ2 TRP 74 12.250 7.121 -13.806 575 HZ3 TRP 74 HZ3 TRP 74 10.327 4.196 -11.367 576 HH2 TRP 74 HH2 TRP 74 10.262 6.282 -12.633 577 H GLY 75 H GLY 75 16.511 0.526 -13.830 578 HA2 GLY 75 2HA GLY 75 15.635 1.369 -16.336 579 HA3 GLY 75 3HA GLY 75 16.811 0.091 -16.063 580 H LEU 76 H LEU 76 15.001 -1.643 -14.630 581 HA LEU 76 HA LEU 76 13.769 -2.902 -16.901 582 HB2 LEU 76 2HB LEU 76 14.219 -3.582 -14.047 583 HB3 LEU 76 3HB LEU 76 12.916 -4.417 -14.890 584 HG LEU 76 HG LEU 76 15.821 -4.414 -15.710 585 HD11 LEU 76 1HD1 LEU 76 15.490 -6.906 -15.130 586 HD12 LEU 76 2HD1 LEU 76 14.124 -6.339 -14.170 587 HD13 LEU 76 3HD1 LEU 76 15.750 -5.755 -13.819 588 HD21 LEU 76 1HD2 LEU 76 13.388 -5.772 -16.854 589 HD22 LEU 76 2HD2 LEU 76 15.044 -6.243 -17.237 590 HD23 LEU 76 3HD2 LEU 76 14.465 -4.630 -17.656 591 H VAL 77 H VAL 77 12.551 -1.651 -13.792 592 HA VAL 77 HA VAL 77 9.837 -2.036 -14.262 593 HB VAL 77 HB VAL 77 11.215 0.101 -12.637 594 HG11 VAL 77 1HG1 VAL 77 8.683 -0.277 -11.585 595 HG12 VAL 77 2HG1 VAL 77 9.234 1.116 -12.517 596 HG13 VAL 77 3HG1 VAL 77 8.417 -0.221 -13.327 597 HG21 VAL 77 1HG2 VAL 77 9.723 -2.229 -11.519 598 HG22 VAL 77 2HG2 VAL 77 11.361 -2.462 -12.131 599 HG23 VAL 77 3HG2 VAL 77 11.062 -1.314 -10.826 600 H LEU 78 H LEU 78 11.834 0.831 -14.929 601 HA LEU 78 HA LEU 78 9.836 2.484 -15.938 602 HB2 LEU 78 2HB LEU 78 12.072 3.275 -15.411 603 HB3 LEU 78 3HB LEU 78 12.741 2.315 -16.728 604 HG LEU 78 HG LEU 78 11.754 3.730 -18.368 605 HD11 LEU 78 1HD1 LEU 78 9.713 4.507 -17.902 606 HD12 LEU 78 2HD1 LEU 78 10.549 5.849 -17.122 607 HD13 LEU 78 3HD1 LEU 78 9.998 4.477 -16.161 608 HD21 LEU 78 1HD2 LEU 78 13.145 5.494 -18.117 609 HD22 LEU 78 2HD2 LEU 78 13.742 4.535 -16.762 610 HD23 LEU 78 3HD2 LEU 78 12.591 5.841 -16.479 611 H GLY 79 H GLY 79 11.468 -0.222 -17.388 612 HA2 GLY 79 2HA GLY 79 10.971 0.314 -20.101 613 HA3 GLY 79 3HA GLY 79 11.193 -1.284 -19.404 614 H ALA 80 H ALA 80 9.140 -1.877 -17.960 615 HA ALA 80 HA ALA 80 7.059 -2.427 -19.703 616 HB1 ALA 80 1HB ALA 80 7.325 -3.704 -17.698 617 HB2 ALA 80 2HB ALA 80 7.048 -2.281 -16.693 618 HB3 ALA 80 3HB ALA 80 5.731 -2.948 -17.658 619 H LEU 81 H LEU 81 7.243 0.141 -17.245 620 HA LEU 81 HA LEU 81 4.713 1.247 -17.706 621 HB2 LEU 81 2HB LEU 81 7.165 2.775 -16.864 622 HB3 LEU 81 3HB LEU 81 5.482 3.169 -16.520 623 HG LEU 81 HG LEU 81 6.909 0.748 -15.426 624 HD11 LEU 81 1HD1 LEU 81 7.514 3.299 -14.747 625 HD12 LEU 81 2HD1 LEU 81 7.631 1.921 -13.654 626 HD13 LEU 81 3HD1 LEU 81 6.201 2.953 -13.621 627 HD21 LEU 81 1HD2 LEU 81 5.022 0.332 -14.173 628 HD22 LEU 81 2HD2 LEU 81 4.318 0.911 -15.683 629 HD23 LEU 81 3HD2 LEU 81 4.442 1.993 -14.295 630 H LYS 82 H LYS 82 7.860 1.981 -19.155 631 HA LYS 82 HA LYS 82 7.070 4.181 -20.698 632 HB2 LYS 82 2HB LYS 82 9.303 2.209 -20.820 633 HB3 LYS 82 3HB LYS 82 9.024 3.229 -22.225 634 HG2 LYS 82 2HG LYS 82 8.952 4.973 -20.060 635 HG3 LYS 82 3HG LYS 82 10.278 3.862 -19.708 636 HD2 LYS 82 2HD LYS 82 11.485 4.503 -21.559 637 HD3 LYS 82 3HD LYS 82 10.050 5.019 -22.448 638 HE2 LYS 82 2HE LYS 82 9.917 7.041 -21.288 639 HE3 LYS 82 3HE LYS 82 10.947 6.464 -19.979 640 HZ1 LYS 82 1HZ LYS 82 11.715 7.925 -22.197 641 HZ2 LYS 82 2HZ LYS 82 12.344 6.374 -22.437 642 HZ3 LYS 82 3HZ LYS 82 12.724 7.231 -21.029 643 H ALA 83 H ALA 83 7.435 0.777 -21.704 644 HA ALA 83 HA ALA 83 6.489 1.011 -24.291 645 HB1 ALA 83 1HB ALA 83 6.695 -1.193 -22.334 646 HB2 ALA 83 2HB ALA 83 5.618 -1.451 -23.706 647 HB3 ALA 83 3HB ALA 83 7.318 -1.071 -23.979 648 H ALA 84 H ALA 84 4.730 1.028 -21.294 649 HA ALA 84 HA ALA 84 2.161 0.463 -22.395 650 HB1 ALA 84 1HB ALA 84 3.240 0.769 -19.831 651 HB2 ALA 84 2HB ALA 84 2.009 2.022 -19.987 652 HB3 ALA 84 3HB ALA 84 1.585 0.332 -20.255 653 H ARG 85 H ARG 85 3.507 3.499 -21.078 654 HA ARG 85 HA ARG 85 2.028 4.969 -23.142 655 HB2 ARG 85 2HB ARG 85 1.764 6.699 -21.103 656 HB3 ARG 85 3HB ARG 85 0.545 5.498 -21.508 657 HG2 ARG 85 2HG ARG 85 0.946 5.522 -19.126 658 HG3 ARG 85 3HG ARG 85 1.483 3.990 -19.819 659 HD2 ARG 85 2HD ARG 85 3.798 5.039 -19.938 660 HD3 ARG 85 3HD ARG 85 3.155 6.314 -18.903 661 HE ARG 85 HE ARG 85 3.936 3.701 -18.100 662 HH11 ARG 85 1HH1 ARG 85 1.640 6.237 -17.452 663 HH12 ARG 85 2HH1 ARG 85 1.401 5.777 -15.799 664 HH21 ARG 85 1HH2 ARG 85 3.629 3.086 -15.925 665 HH22 ARG 85 2HH2 ARG 85 2.534 3.985 -14.931 666 H GLU 86 H GLU 86 4.307 4.887 -23.965 667 HA GLU 86 HA GLU 86 6.328 6.395 -22.629 668 HB2 GLU 86 2HB GLU 86 6.526 4.541 -24.476 669 HB3 GLU 86 3HB GLU 86 6.372 5.899 -25.581 670 HG2 GLU 86 2HG GLU 86 8.404 5.913 -23.383 671 HG3 GLU 86 3HG GLU 86 8.719 5.113 -24.921 672 H GLU 87 H GLU 87 4.720 7.033 -25.751 673 HA GLU 87 HA GLU 87 5.496 9.733 -25.870 674 HB2 GLU 87 2HB GLU 87 4.065 9.925 -27.751 675 HB3 GLU 87 3HB GLU 87 4.699 8.286 -27.786 676 HG2 GLU 87 2HG GLU 87 2.546 7.626 -26.575 677 HG3 GLU 87 3HG GLU 87 1.948 9.213 -27.053 Start of MODEL 9 1 H1 SER 1 H SER 1 3.379 -1.555 0.493 2 HA SER 1 HA SER 1 1.996 0.000 -1.580 3 HB2 SER 1 2HB SER 1 4.033 -0.038 -2.978 4 HB3 SER 1 3HB SER 1 4.288 0.852 -1.477 5 HG SER 1 HG SER 1 5.488 -0.798 -0.689 6 H GLU 2 H GLU 2 1.584 -2.659 -0.326 7 HA GLU 2 HA GLU 2 2.405 -4.744 -1.995 8 HB2 GLU 2 2HB GLU 2 0.688 -6.065 -0.973 9 HB3 GLU 2 3HB GLU 2 1.344 -4.994 0.257 10 HG2 GLU 2 2HG GLU 2 -0.558 -3.536 0.076 11 HG3 GLU 2 3HG GLU 2 -1.193 -4.474 -1.274 12 H ALA 3 H ALA 3 -0.040 -2.333 -2.413 13 HA ALA 3 HA ALA 3 -1.398 -3.755 -4.539 14 HB1 ALA 3 1HB ALA 3 -2.556 -1.450 -4.760 15 HB2 ALA 3 2HB ALA 3 -2.880 -2.441 -3.338 16 HB3 ALA 3 3HB ALA 3 -1.754 -1.088 -3.232 17 H VAL 4 H VAL 4 1.204 -1.518 -4.202 18 HA VAL 4 HA VAL 4 1.108 -0.648 -6.968 19 HB VAL 4 HB VAL 4 3.168 -0.117 -4.823 20 HG11 VAL 4 1HG1 VAL 4 3.993 1.635 -6.321 21 HG12 VAL 4 2HG1 VAL 4 4.135 0.036 -7.055 22 HG13 VAL 4 3HG1 VAL 4 2.839 1.125 -7.552 23 HG21 VAL 4 1HG2 VAL 4 1.048 0.881 -4.259 24 HG22 VAL 4 2HG2 VAL 4 2.155 2.146 -4.793 25 HG23 VAL 4 3HG2 VAL 4 0.896 1.561 -5.880 26 H ILE 5 H ILE 5 2.999 -2.815 -4.935 27 HA ILE 5 HA ILE 5 4.973 -3.416 -6.891 28 HB ILE 5 HB ILE 5 4.120 -5.031 -4.485 29 HG12 ILE 5 2HG1 ILE 5 6.456 -3.135 -4.790 30 HG13 ILE 5 3HG1 ILE 5 4.932 -2.702 -4.022 31 HG21 ILE 5 1HG2 ILE 5 6.603 -5.201 -6.188 32 HG22 ILE 5 2HG2 ILE 5 6.333 -6.085 -4.687 33 HG23 ILE 5 3HG2 ILE 5 5.314 -6.400 -6.090 34 HD11 ILE 5 1HD1 ILE 5 5.664 -3.512 -2.105 35 HD12 ILE 5 2HD1 ILE 5 5.881 -5.102 -2.839 36 HD13 ILE 5 3HD1 ILE 5 7.197 -3.928 -2.872 37 H LYS 6 H LYS 6 1.762 -4.542 -6.297 38 HA LYS 6 HA LYS 6 2.037 -7.001 -7.765 39 HB2 LYS 6 2HB LYS 6 -0.142 -7.438 -7.175 40 HB3 LYS 6 3HB LYS 6 0.311 -6.321 -5.894 41 HG2 LYS 6 2HG LYS 6 -0.650 -4.494 -7.414 42 HG3 LYS 6 3HG LYS 6 -1.401 -5.823 -8.301 43 HD2 LYS 6 2HD LYS 6 -2.703 -6.464 -6.464 44 HD3 LYS 6 3HD LYS 6 -1.697 -5.566 -5.325 45 HE2 LYS 6 2HE LYS 6 -3.304 -4.008 -5.453 46 HE3 LYS 6 3HE LYS 6 -2.549 -3.585 -6.989 47 HZ1 LYS 6 1HZ LYS 6 -4.624 -5.671 -6.895 48 HZ2 LYS 6 2HZ LYS 6 -4.166 -4.678 -8.185 49 HZ3 LYS 6 3HZ LYS 6 -5.070 -4.039 -6.905 50 H VAL 7 H VAL 7 1.044 -3.716 -8.448 51 HA VAL 7 HA VAL 7 -0.153 -4.231 -10.971 52 HB VAL 7 HB VAL 7 1.071 -1.673 -9.927 53 HG11 VAL 7 1HG1 VAL 7 0.907 -1.396 -12.245 54 HG12 VAL 7 2HG1 VAL 7 -0.617 -2.281 -12.333 55 HG13 VAL 7 3HG1 VAL 7 -0.570 -0.671 -11.612 56 HG21 VAL 7 1HG2 VAL 7 -1.827 -1.836 -10.061 57 HG22 VAL 7 2HG2 VAL 7 -1.132 -3.038 -8.974 58 HG23 VAL 7 3HG2 VAL 7 -0.784 -1.326 -8.734 59 H ILE 8 H ILE 8 3.102 -3.249 -9.978 60 HA ILE 8 HA ILE 8 4.080 -3.086 -12.671 61 HB ILE 8 HB ILE 8 5.596 -3.179 -10.061 62 HG12 ILE 8 2HG1 ILE 8 5.613 -0.663 -11.498 63 HG13 ILE 8 3HG1 ILE 8 3.967 -1.168 -11.131 64 HG21 ILE 8 1HG2 ILE 8 7.003 -3.881 -11.902 65 HG22 ILE 8 2HG2 ILE 8 6.520 -2.470 -12.841 66 HG23 ILE 8 3HG2 ILE 8 7.472 -2.266 -11.371 67 HD11 ILE 8 1HD1 ILE 8 5.132 -1.606 -8.752 68 HD12 ILE 8 2HD1 ILE 8 6.117 -0.268 -9.343 69 HD13 ILE 8 3HD1 ILE 8 4.369 -0.084 -9.209 70 H SER 9 H SER 9 4.162 -5.470 -10.080 71 HA SER 9 HA SER 9 6.029 -7.238 -11.178 72 HB2 SER 9 2HB SER 9 5.385 -7.579 -8.915 73 HB3 SER 9 3HB SER 9 3.676 -7.680 -9.339 74 HG SER 9 HG SER 9 5.307 -9.674 -9.064 75 H SER 10 H SER 10 2.802 -6.527 -12.107 76 HA SER 10 HA SER 10 2.648 -8.950 -13.760 77 HB2 SER 10 2HB SER 10 0.739 -8.051 -12.168 78 HB3 SER 10 3HB SER 10 0.382 -7.009 -13.545 79 HG SER 10 HG SER 10 -0.021 -8.782 -14.786 80 H ALA 11 H ALA 11 3.180 -5.569 -13.899 81 HA ALA 11 HA ALA 11 2.478 -5.313 -16.700 82 HB1 ALA 11 1HB ALA 11 3.400 -3.464 -14.564 83 HB2 ALA 11 2HB ALA 11 3.683 -3.007 -16.244 84 HB3 ALA 11 3HB ALA 11 2.041 -3.319 -15.680 85 H CYS 12 H CYS 12 5.292 -5.938 -14.769 86 HA CYS 12 HA CYS 12 7.167 -5.331 -16.878 87 HB2 CYS 12 2HB CYS 12 7.366 -6.369 -14.081 88 HB3 CYS 12 3HB CYS 12 8.722 -6.614 -15.175 89 HG CYS 12 HG CYS 12 8.550 -4.204 -13.291 90 H LYS 13 H LYS 13 5.716 -8.204 -15.438 91 HA LYS 13 HA LYS 13 7.267 -10.131 -16.769 92 HB2 LYS 13 2HB LYS 13 5.347 -11.664 -16.301 93 HB3 LYS 13 3HB LYS 13 5.923 -10.783 -14.892 94 HG2 LYS 13 2HG LYS 13 3.727 -10.420 -14.576 95 HG3 LYS 13 3HG LYS 13 4.000 -9.104 -15.719 96 HD2 LYS 13 2HD LYS 13 2.336 -10.035 -16.898 97 HD3 LYS 13 3HD LYS 13 3.542 -11.230 -17.381 98 HE2 LYS 13 2HE LYS 13 2.873 -12.643 -15.484 99 HE3 LYS 13 3HE LYS 13 1.646 -11.456 -15.045 100 HZ1 LYS 13 1HZ LYS 13 1.139 -11.961 -17.664 101 HZ2 LYS 13 2HZ LYS 13 0.305 -12.631 -16.354 102 HZ3 LYS 13 3HZ LYS 13 1.579 -13.483 -17.070 103 H THR 14 H THR 14 4.403 -8.346 -17.733 104 HA THR 14 HA THR 14 3.965 -9.892 -20.117 105 HB THR 14 HB THR 14 2.813 -7.257 -19.195 106 HG1 THR 14 HG1 THR 14 1.781 -9.911 -19.334 107 HG21 THR 14 1HG2 THR 14 2.204 -6.915 -21.320 108 HG22 THR 14 2HG2 THR 14 1.137 -8.307 -21.139 109 HG23 THR 14 3HG2 THR 14 2.754 -8.517 -21.810 110 H TYR 15 H TYR 15 5.347 -6.716 -19.361 111 HA TYR 15 HA TYR 15 5.944 -6.126 -22.107 112 HB2 TYR 15 2HB TYR 15 6.627 -4.810 -19.488 113 HB3 TYR 15 3HB TYR 15 7.323 -4.250 -21.004 114 HD1 TYR 15 HD1 TYR 15 3.916 -5.260 -19.821 115 HD2 TYR 15 HD2 TYR 15 6.294 -2.382 -21.861 116 HE1 TYR 15 HE1 TYR 15 1.908 -3.902 -20.233 117 HE2 TYR 15 HE2 TYR 15 4.293 -1.016 -22.279 118 HH TYR 15 HH TYR 15 1.293 -2.063 -22.149 119 H CYS 16 H CYS 16 8.204 -6.228 -19.362 120 HA CYS 16 HA CYS 16 10.513 -6.619 -20.802 121 HB2 CYS 16 2HB CYS 16 9.923 -7.782 -18.072 122 HB3 CYS 16 3HB CYS 16 11.516 -7.462 -18.746 123 HG CYS 16 HG CYS 16 9.636 -4.730 -18.740 124 H GLY 17 H GLY 17 8.342 -9.101 -19.479 125 HA2 GLY 17 2HA GLY 17 8.058 -11.309 -20.039 126 HA3 GLY 17 3HA GLY 17 8.792 -10.912 -21.585 127 H LYS 18 H LYS 18 9.195 -12.472 -18.585 128 HA LYS 18 HA LYS 18 10.859 -13.738 -17.690 129 HB2 LYS 18 2HB LYS 18 10.686 -14.584 -20.161 130 HB3 LYS 18 3HB LYS 18 12.245 -13.793 -20.347 131 HG2 LYS 18 2HG LYS 18 12.721 -15.214 -18.120 132 HG3 LYS 18 3HG LYS 18 11.527 -16.256 -18.899 133 HD2 LYS 18 2HD LYS 18 13.290 -15.468 -20.930 134 HD3 LYS 18 3HD LYS 18 14.306 -15.860 -19.541 135 HE2 LYS 18 2HE LYS 18 13.657 -18.060 -19.516 136 HE3 LYS 18 3HE LYS 18 12.093 -17.719 -20.255 137 HZ1 LYS 18 1HZ LYS 18 12.979 -17.718 -22.350 138 HZ2 LYS 18 2HZ LYS 18 13.961 -18.881 -21.613 139 HZ3 LYS 18 3HZ LYS 18 14.536 -17.306 -21.831 140 H THR 19 H THR 19 11.160 -10.780 -17.921 141 HA THR 19 HA THR 19 13.970 -10.683 -17.161 142 HB THR 19 HB THR 19 13.632 -8.319 -18.631 143 HG1 THR 19 HG1 THR 19 12.931 -10.577 -20.222 144 HG21 THR 19 1HG2 THR 19 15.241 -10.817 -18.883 145 HG22 THR 19 2HG2 THR 19 15.770 -9.158 -18.601 146 HG23 THR 19 3HG2 THR 19 15.264 -9.660 -20.214 147 H SER 20 H SER 20 11.106 -10.283 -16.092 148 HA SER 20 HA SER 20 10.923 -7.550 -15.321 149 HB2 SER 20 2HB SER 20 9.315 -8.632 -13.541 150 HB3 SER 20 3HB SER 20 8.860 -8.604 -15.244 151 HG SER 20 HG SER 20 9.766 -10.752 -13.675 152 HA PRO 21 HA PRO 21 13.517 -7.306 -11.792 153 HB2 PRO 21 2HB PRO 21 12.056 -5.753 -10.112 154 HB3 PRO 21 3HB PRO 21 12.836 -5.123 -11.567 155 HG2 PRO 21 2HG PRO 21 9.982 -5.919 -11.142 156 HG3 PRO 21 3HG PRO 21 10.634 -4.504 -11.987 157 HD2 PRO 21 2HD PRO 21 9.752 -6.703 -13.297 158 HD3 PRO 21 3HD PRO 21 11.083 -5.699 -13.906 159 H SER 22 H SER 22 13.606 -7.663 -9.400 160 HA SER 22 HA SER 22 12.071 -10.046 -8.741 161 HB2 SER 22 2HB SER 22 14.691 -9.035 -8.098 162 HB3 SER 22 3HB SER 22 13.814 -9.409 -6.614 163 HG SER 22 HG SER 22 13.286 -11.450 -7.942 164 H LYS 23 H LYS 23 10.657 -10.235 -7.062 165 HA LYS 23 HA LYS 23 9.131 -8.078 -6.265 166 HB2 LYS 23 2HB LYS 23 8.817 -10.697 -6.002 167 HB3 LYS 23 3HB LYS 23 9.425 -10.376 -4.383 168 HG2 LYS 23 2HG LYS 23 7.318 -8.540 -5.220 169 HG3 LYS 23 3HG LYS 23 6.811 -10.230 -5.163 170 HD2 LYS 23 2HD LYS 23 8.410 -9.285 -2.870 171 HD3 LYS 23 3HD LYS 23 6.798 -8.583 -3.026 172 HE2 LYS 23 2HE LYS 23 7.227 -11.545 -3.217 173 HE3 LYS 23 3HE LYS 23 7.080 -10.747 -1.652 174 HZ1 LYS 23 1HZ LYS 23 4.895 -10.791 -1.889 175 HZ2 LYS 23 2HZ LYS 23 5.037 -11.519 -3.409 176 HZ3 LYS 23 3HZ LYS 23 5.005 -9.833 -3.279 177 H LYS 24 H LYS 24 11.928 -9.518 -4.659 178 HA LYS 24 HA LYS 24 11.766 -7.903 -2.322 179 HB2 LYS 24 2HB LYS 24 12.958 -10.023 -2.293 180 HB3 LYS 24 3HB LYS 24 14.083 -9.439 -3.511 181 HG2 LYS 24 2HG LYS 24 15.098 -9.392 -1.314 182 HG3 LYS 24 3HG LYS 24 14.908 -7.754 -1.943 183 HD2 LYS 24 2HD LYS 24 13.248 -7.225 -0.437 184 HD3 LYS 24 3HD LYS 24 12.756 -8.907 -0.228 185 HE2 LYS 24 2HE LYS 24 14.794 -9.353 1.037 186 HE3 LYS 24 3HE LYS 24 15.315 -7.686 0.803 187 HZ1 LYS 24 1HZ LYS 24 14.326 -7.986 2.976 188 HZ2 LYS 24 2HZ LYS 24 12.892 -8.556 2.283 189 HZ3 LYS 24 3HZ LYS 24 13.367 -6.950 2.042 190 H GLU 25 H GLU 25 13.190 -7.498 -5.474 191 HA GLU 25 HA GLU 25 14.919 -5.339 -4.783 192 HB2 GLU 25 2HB GLU 25 13.884 -6.471 -7.360 193 HB3 GLU 25 3HB GLU 25 14.750 -4.941 -7.355 194 HG2 GLU 25 2HG GLU 25 16.113 -7.030 -5.857 195 HG3 GLU 25 3HG GLU 25 15.876 -7.429 -7.557 196 H ILE 26 H ILE 26 11.663 -5.551 -6.158 197 HA ILE 26 HA ILE 26 11.205 -2.894 -6.753 198 HB ILE 26 HB ILE 26 9.219 -4.859 -5.604 199 HG12 ILE 26 2HG1 ILE 26 9.913 -4.181 -8.471 200 HG13 ILE 26 3HG1 ILE 26 10.320 -5.679 -7.640 201 HG21 ILE 26 1HG2 ILE 26 7.520 -3.460 -6.680 202 HG22 ILE 26 2HG2 ILE 26 8.414 -2.571 -5.448 203 HG23 ILE 26 3HG2 ILE 26 8.772 -2.313 -7.155 204 HD11 ILE 26 1HD1 ILE 26 7.947 -6.198 -7.418 205 HD12 ILE 26 2HD1 ILE 26 7.544 -4.698 -8.255 206 HD13 ILE 26 3HD1 ILE 26 8.413 -5.976 -9.104 207 H GLY 27 H GLY 27 11.132 -4.512 -3.633 208 HA2 GLY 27 2HA GLY 27 9.942 -2.352 -2.202 209 HA3 GLY 27 3HA GLY 27 10.802 -3.713 -1.499 210 H ALA 28 H ALA 28 13.204 -3.107 -3.158 211 HA ALA 28 HA ALA 28 14.321 -1.100 -1.363 212 HB1 ALA 28 1HB ALA 28 16.107 -2.410 -1.427 213 HB2 ALA 28 2HB ALA 28 15.309 -3.456 -2.601 214 HB3 ALA 28 3HB ALA 28 16.283 -2.093 -3.153 215 H MET 29 H MET 29 12.775 -1.006 -4.230 216 HA MET 29 HA MET 29 14.489 1.099 -5.358 217 HB2 MET 29 2HB MET 29 13.984 -0.693 -6.916 218 HB3 MET 29 3HB MET 29 12.261 -0.509 -6.617 219 HG2 MET 29 2HG MET 29 12.511 1.856 -7.495 220 HG3 MET 29 3HG MET 29 14.109 1.365 -8.054 221 HE1 MET 29 1HE MET 29 10.372 1.379 -10.031 222 HE2 MET 29 2HE MET 29 10.041 0.007 -8.974 223 HE3 MET 29 3HE MET 29 10.601 1.534 -8.289 224 H LEU 30 H LEU 30 11.043 0.369 -4.804 225 HA LEU 30 HA LEU 30 9.967 2.840 -5.366 226 HB2 LEU 30 2HB LEU 30 9.202 0.552 -3.677 227 HB3 LEU 30 3HB LEU 30 8.416 2.080 -3.286 228 HG LEU 30 HG LEU 30 7.463 2.218 -5.487 229 HD11 LEU 30 1HD1 LEU 30 8.951 1.409 -7.024 230 HD12 LEU 30 2HD1 LEU 30 7.821 0.058 -6.939 231 HD13 LEU 30 3HD1 LEU 30 9.348 -0.013 -6.059 232 HD21 LEU 30 1HD2 LEU 30 6.486 0.684 -3.666 233 HD22 LEU 30 2HD2 LEU 30 7.054 -0.640 -4.683 234 HD23 LEU 30 3HD2 LEU 30 5.883 0.518 -5.315 235 H SER 31 H SER 31 10.767 1.702 -2.078 236 HA SER 31 HA SER 31 10.428 4.124 -0.774 237 HB2 SER 31 2HB SER 31 12.112 3.148 0.904 238 HB3 SER 31 3HB SER 31 10.655 2.207 0.587 239 HG SER 31 HG SER 31 11.856 0.668 -0.177 240 H LEU 32 H LEU 32 13.152 2.934 -2.617 241 HA LEU 32 HA LEU 32 15.110 4.747 -1.771 242 HB2 LEU 32 2HB LEU 32 15.265 2.661 -3.304 243 HB3 LEU 32 3HB LEU 32 14.930 3.802 -4.605 244 HG LEU 32 HG LEU 32 17.339 3.283 -4.307 245 HD11 LEU 32 1HD1 LEU 32 17.165 6.139 -3.604 246 HD12 LEU 32 2HD1 LEU 32 16.186 5.616 -4.975 247 HD13 LEU 32 3HD1 LEU 32 17.929 5.350 -4.984 248 HD21 LEU 32 1HD2 LEU 32 17.107 4.847 -1.744 249 HD22 LEU 32 2HD2 LEU 32 18.547 4.077 -2.410 250 HD23 LEU 32 3HD2 LEU 32 17.212 3.088 -1.816 251 H LEU 33 H LEU 33 12.894 4.940 -4.554 252 HA LEU 33 HA LEU 33 13.699 7.429 -5.506 253 HB2 LEU 33 2HB LEU 33 10.888 6.350 -5.557 254 HB3 LEU 33 3HB LEU 33 11.598 7.523 -6.664 255 HG LEU 33 HG LEU 33 12.678 4.731 -6.472 256 HD11 LEU 33 1HD1 LEU 33 11.115 3.865 -7.901 257 HD12 LEU 33 2HD1 LEU 33 10.665 5.443 -8.547 258 HD13 LEU 33 3HD1 LEU 33 10.105 4.952 -6.948 259 HD21 LEU 33 1HD2 LEU 33 13.324 5.216 -8.804 260 HD22 LEU 33 2HD2 LEU 33 14.037 6.344 -7.651 261 HD23 LEU 33 3HD2 LEU 33 12.655 6.839 -8.630 262 H GLN 34 H GLN 34 11.732 6.593 -2.773 263 HA GLN 34 HA GLN 34 10.553 9.179 -2.436 264 HB2 GLN 34 2HB GLN 34 10.845 6.875 -0.501 265 HB3 GLN 34 3HB GLN 34 9.876 8.313 -0.212 266 HG2 GLN 34 2HG GLN 34 8.500 7.748 -2.174 267 HG3 GLN 34 3HG GLN 34 9.442 6.272 -2.381 268 HE21 GLN 34 1HE2 GLN 34 6.756 7.657 -0.944 269 HE22 GLN 34 2HE2 GLN 34 6.359 6.382 0.152 270 H LYS 35 H LYS 35 13.144 7.417 -0.743 271 HA LYS 35 HA LYS 35 13.862 9.550 0.961 272 HB2 LYS 35 2HB LYS 35 15.499 7.194 0.006 273 HB3 LYS 35 3HB LYS 35 15.953 8.265 1.325 274 HG2 LYS 35 2HG LYS 35 14.322 7.442 2.734 275 HG3 LYS 35 3HG LYS 35 13.331 6.840 1.403 276 HD2 LYS 35 2HD LYS 35 15.446 5.310 0.989 277 HD3 LYS 35 3HD LYS 35 15.717 5.625 2.705 278 HE2 LYS 35 2HE LYS 35 12.980 4.839 1.886 279 HE3 LYS 35 3HE LYS 35 14.226 3.593 1.820 280 HZ1 LYS 35 1HZ LYS 35 13.240 5.092 4.162 281 HZ2 LYS 35 2HZ LYS 35 14.766 4.362 4.186 282 HZ3 LYS 35 3HZ LYS 35 13.380 3.419 3.955 283 H GLU 36 H GLU 36 15.039 8.530 -2.211 284 HA GLU 36 HA GLU 36 17.234 10.249 -2.410 285 HB2 GLU 36 2HB GLU 36 15.682 8.570 -4.192 286 HB3 GLU 36 3HB GLU 36 16.181 10.054 -4.991 287 HG2 GLU 36 2HG GLU 36 18.225 8.573 -3.439 288 HG3 GLU 36 3HG GLU 36 17.688 7.882 -4.969 289 H GLY 37 H GLY 37 13.864 10.906 -2.513 290 HA2 GLY 37 2HA GLY 37 12.934 13.058 -2.325 291 HA3 GLY 37 3HA GLY 37 14.440 13.738 -2.924 292 H LEU 38 H LEU 38 12.937 11.081 -4.581 293 HA LEU 38 HA LEU 38 12.553 12.782 -6.911 294 HB2 LEU 38 2HB LEU 38 12.284 9.798 -6.579 295 HB3 LEU 38 3HB LEU 38 12.156 10.670 -8.105 296 HG LEU 38 HG LEU 38 14.646 10.602 -6.406 297 HD11 LEU 38 1HD1 LEU 38 13.553 8.669 -8.308 298 HD12 LEU 38 2HD1 LEU 38 14.818 8.481 -7.094 299 HD13 LEU 38 3HD1 LEU 38 15.202 9.182 -8.666 300 HD21 LEU 38 1HD2 LEU 38 14.021 12.435 -8.239 301 HD22 LEU 38 2HD2 LEU 38 14.659 11.186 -9.309 302 HD23 LEU 38 3HD2 LEU 38 15.664 11.836 -8.013 303 H LEU 39 H LEU 39 10.622 10.228 -5.331 304 HA LEU 39 HA LEU 39 8.209 11.769 -6.031 305 HB2 LEU 39 2HB LEU 39 7.119 9.416 -5.814 306 HB3 LEU 39 3HB LEU 39 7.951 9.877 -7.297 307 HG LEU 39 HG LEU 39 9.972 8.648 -6.378 308 HD11 LEU 39 1HD1 LEU 39 9.665 8.300 -4.139 309 HD12 LEU 39 2HD1 LEU 39 9.093 6.758 -4.775 310 HD13 LEU 39 3HD1 LEU 39 7.935 8.002 -4.308 311 HD21 LEU 39 1HD2 LEU 39 9.348 6.965 -7.697 312 HD22 LEU 39 2HD2 LEU 39 7.801 7.796 -7.859 313 HD23 LEU 39 3HD2 LEU 39 8.001 6.533 -6.643 314 H MET 40 H MET 40 6.301 11.158 -4.583 315 HA MET 40 HA MET 40 7.234 11.255 -1.805 316 HB2 MET 40 2HB MET 40 5.140 12.581 -3.280 317 HB3 MET 40 3HB MET 40 4.465 11.742 -1.890 318 HG2 MET 40 2HG MET 40 6.820 13.593 -1.687 319 HG3 MET 40 3HG MET 40 5.152 14.140 -1.536 320 HE1 MET 40 1HE MET 40 7.054 14.563 1.429 321 HE2 MET 40 2HE MET 40 7.862 13.001 1.563 322 HE3 MET 40 3HE MET 40 7.935 13.906 0.050 323 H SER 41 H SER 41 5.425 9.329 -4.038 324 HA SER 41 HA SER 41 5.096 7.284 -1.976 325 HB2 SER 41 2HB SER 41 2.751 6.947 -3.306 326 HB3 SER 41 3HB SER 41 2.905 7.861 -1.805 327 HG SER 41 HG SER 41 3.351 9.165 -4.245 328 HA PRO 42 HA PRO 42 6.288 4.449 -5.103 329 HB2 PRO 42 2HB PRO 42 4.768 2.272 -4.539 330 HB3 PRO 42 3HB PRO 42 6.124 2.785 -3.528 331 HG2 PRO 42 2HG PRO 42 3.192 3.255 -3.145 332 HG3 PRO 42 3HG PRO 42 4.416 2.791 -1.949 333 HD2 PRO 42 2HD PRO 42 3.524 5.335 -2.209 334 HD3 PRO 42 3HD PRO 42 5.185 4.951 -1.712 335 H SER 43 H SER 43 2.974 5.394 -4.868 336 HA SER 43 HA SER 43 2.120 4.044 -7.265 337 HB2 SER 43 2HB SER 43 0.258 6.042 -6.732 338 HB3 SER 43 3HB SER 43 0.171 4.366 -6.192 339 HG SER 43 HG SER 43 0.057 6.136 -4.549 340 H ASP 44 H ASP 44 3.942 6.772 -6.645 341 HA ASP 44 HA ASP 44 3.022 8.567 -8.618 342 HB2 ASP 44 2HB ASP 44 4.869 8.724 -6.646 343 HB3 ASP 44 3HB ASP 44 5.924 8.532 -8.043 344 H LEU 45 H LEU 45 4.598 5.581 -8.873 345 HA LEU 45 HA LEU 45 6.198 5.934 -11.143 346 HB2 LEU 45 2HB LEU 45 5.022 3.695 -9.680 347 HB3 LEU 45 3HB LEU 45 5.243 3.377 -11.399 348 HG LEU 45 HG LEU 45 7.650 4.014 -11.119 349 HD11 LEU 45 1HD1 LEU 45 6.686 4.513 -8.396 350 HD12 LEU 45 2HD1 LEU 45 8.081 5.172 -9.249 351 HD13 LEU 45 3HD1 LEU 45 8.181 3.583 -8.492 352 HD21 LEU 45 1HD2 LEU 45 8.300 1.891 -10.250 353 HD22 LEU 45 2HD2 LEU 45 6.785 1.666 -11.124 354 HD23 LEU 45 3HD2 LEU 45 6.786 1.725 -9.361 355 H TYR 46 H TYR 46 2.799 5.940 -10.791 356 HA TYR 46 HA TYR 46 2.233 5.207 -13.531 357 HB2 TYR 46 2HB TYR 46 0.346 6.415 -11.504 358 HB3 TYR 46 3HB TYR 46 -0.082 5.533 -12.966 359 HD1 TYR 46 HD1 TYR 46 -0.629 5.114 -9.815 360 HD2 TYR 46 HD2 TYR 46 1.816 3.239 -12.750 361 HE1 TYR 46 HE1 TYR 46 -0.697 3.021 -8.526 362 HE2 TYR 46 HE2 TYR 46 1.754 1.140 -11.469 363 HH TYR 46 HH TYR 46 1.386 0.473 -9.047 364 H SER 47 H SER 47 3.621 7.827 -12.297 365 HA SER 47 HA SER 47 2.182 9.725 -14.026 366 HB2 SER 47 2HB SER 47 2.290 10.435 -11.694 367 HB3 SER 47 3HB SER 47 4.044 10.252 -11.697 368 HG SER 47 HG SER 47 3.891 12.320 -12.179 369 HA PRO 48 HA PRO 48 6.021 8.889 -16.387 370 HB2 PRO 48 2HB PRO 48 4.869 9.323 -18.807 371 HB3 PRO 48 3HB PRO 48 4.782 7.771 -17.966 372 HG2 PRO 48 2HG PRO 48 2.748 9.962 -18.112 373 HG3 PRO 48 3HG PRO 48 2.515 8.209 -18.243 374 HD2 PRO 48 2HD PRO 48 2.003 9.581 -15.965 375 HD3 PRO 48 3HD PRO 48 2.583 7.903 -15.960 376 H GLY 49 H GLY 49 6.249 11.110 -15.104 377 HA2 GLY 49 2HA GLY 49 6.846 13.087 -17.156 378 HA3 GLY 49 3HA GLY 49 5.700 13.587 -15.921 379 H SER 50 H SER 50 8.016 11.383 -14.791 380 HA SER 50 HA SER 50 9.844 13.500 -13.926 381 HB2 SER 50 2HB SER 50 8.114 11.825 -12.165 382 HB3 SER 50 3HB SER 50 9.749 12.185 -11.613 383 HG SER 50 HG SER 50 8.092 13.735 -10.987 384 H TRP 51 H TRP 51 9.574 10.769 -15.521 385 HA TRP 51 HA TRP 51 11.547 9.093 -14.321 386 HB2 TRP 51 2HB TRP 51 10.445 9.139 -17.139 387 HB3 TRP 51 3HB TRP 51 11.476 7.871 -16.483 388 HD1 TRP 51 HD1 TRP 51 9.708 8.158 -13.576 389 HE1 TRP 51 HE1 TRP 51 7.517 6.809 -13.495 390 HE3 TRP 51 HE3 TRP 51 9.031 7.406 -18.588 391 HZ2 TRP 51 HZ2 TRP 51 5.738 5.587 -15.314 392 HZ3 TRP 51 HZ3 TRP 51 7.060 6.136 -19.334 393 HH2 TRP 51 HH2 TRP 51 5.449 5.246 -17.730 394 H ASP 52 H ASP 52 11.638 11.834 -16.413 395 HA ASP 52 HA ASP 52 14.090 11.423 -17.705 396 HB2 ASP 52 2HB ASP 52 12.297 13.690 -17.194 397 HB3 ASP 52 3HB ASP 52 13.991 14.145 -17.356 398 HA PRO 53 HA PRO 53 16.193 13.851 -14.103 399 HB2 PRO 53 2HB PRO 53 14.698 14.362 -11.895 400 HB3 PRO 53 3HB PRO 53 14.780 15.463 -13.276 401 HG2 PRO 53 2HG PRO 53 12.677 13.449 -12.580 402 HG3 PRO 53 3HG PRO 53 12.484 15.109 -13.175 403 HD2 PRO 53 2HD PRO 53 12.255 12.947 -14.789 404 HD3 PRO 53 3HD PRO 53 12.883 14.505 -15.363 405 H ILE 54 H ILE 54 13.817 11.392 -13.314 406 HA ILE 54 HA ILE 54 15.228 10.367 -11.043 407 HB ILE 54 HB ILE 54 12.972 9.258 -12.702 408 HG12 ILE 54 2HG1 ILE 54 13.032 10.137 -9.811 409 HG13 ILE 54 3HG1 ILE 54 12.583 11.201 -11.139 410 HG21 ILE 54 1HG2 ILE 54 14.372 8.022 -10.341 411 HG22 ILE 54 2HG2 ILE 54 12.774 7.528 -10.900 412 HG23 ILE 54 3HG2 ILE 54 14.174 7.343 -11.957 413 HD11 ILE 54 1HD1 ILE 54 10.647 10.248 -9.965 414 HD12 ILE 54 2HD1 ILE 54 10.696 9.803 -11.671 415 HD13 ILE 54 3HD1 ILE 54 11.178 8.635 -10.440 416 H THR 55 H THR 55 14.921 9.413 -14.442 417 HA THR 55 HA THR 55 16.477 7.061 -14.247 418 HB THR 55 HB THR 55 15.908 8.815 -16.643 419 HG1 THR 55 HG1 THR 55 14.149 7.607 -16.870 420 HG21 THR 55 1HG2 THR 55 17.589 7.623 -17.570 421 HG22 THR 55 2HG2 THR 55 16.379 6.342 -17.649 422 HG23 THR 55 3HG2 THR 55 17.536 6.383 -16.319 423 H ALA 56 H ALA 56 17.280 10.411 -15.046 424 HA ALA 56 HA ALA 56 20.014 9.869 -15.664 425 HB1 ALA 56 1HB ALA 56 19.158 11.799 -16.662 426 HB2 ALA 56 2HB ALA 56 18.459 12.382 -15.151 427 HB3 ALA 56 3HB ALA 56 20.208 12.407 -15.381 428 H ALA 57 H ALA 57 18.249 10.328 -12.753 429 HA ALA 57 HA ALA 57 20.521 11.148 -11.170 430 HB1 ALA 57 1HB ALA 57 17.641 10.737 -10.719 431 HB2 ALA 57 2HB ALA 57 18.685 10.411 -9.335 432 HB3 ALA 57 3HB ALA 57 18.720 11.993 -10.114 433 H LEU 58 H LEU 58 18.441 8.249 -11.253 434 HA LEU 58 HA LEU 58 20.031 6.726 -9.497 435 HB2 LEU 58 2HB LEU 58 18.093 5.855 -11.634 436 HB3 LEU 58 3HB LEU 58 18.794 4.782 -10.425 437 HG LEU 58 HG LEU 58 17.153 7.180 -9.657 438 HD11 LEU 58 1HD1 LEU 58 15.321 5.407 -9.344 439 HD12 LEU 58 2HD1 LEU 58 16.246 4.452 -10.503 440 HD13 LEU 58 3HD1 LEU 58 15.612 6.030 -10.968 441 HD21 LEU 58 1HD2 LEU 58 16.774 5.770 -7.633 442 HD22 LEU 58 2HD2 LEU 58 18.449 6.268 -7.868 443 HD23 LEU 58 3HD2 LEU 58 17.952 4.624 -8.274 444 H SER 59 H SER 59 20.211 7.317 -12.924 445 HA SER 59 HA SER 59 21.988 5.150 -13.507 446 HB2 SER 59 2HB SER 59 20.581 6.086 -15.266 447 HB3 SER 59 3HB SER 59 21.350 7.662 -15.074 448 HG SER 59 HG SER 59 22.395 5.289 -16.164 449 H GLN 60 H GLN 60 22.340 8.448 -12.455 450 HA GLN 60 HA GLN 60 25.186 8.510 -12.999 451 HB2 GLN 60 2HB GLN 60 24.051 10.586 -13.290 452 HB3 GLN 60 3HB GLN 60 23.287 10.466 -11.711 453 HG2 GLN 60 2HG GLN 60 25.093 11.254 -10.623 454 HG3 GLN 60 3HG GLN 60 26.231 10.468 -11.716 455 HE21 GLN 60 1HE2 GLN 60 23.721 12.976 -11.898 456 HE22 GLN 60 2HE2 GLN 60 24.670 14.100 -12.803 457 H ARG 61 H ARG 61 23.029 8.130 -10.248 458 HA ARG 61 HA ARG 61 24.797 8.415 -8.145 459 HB2 ARG 61 2HB ARG 61 22.346 8.067 -7.927 460 HB3 ARG 61 3HB ARG 61 22.578 6.373 -8.339 461 HG2 ARG 61 2HG ARG 61 24.063 6.173 -6.341 462 HG3 ARG 61 3HG ARG 61 23.585 7.813 -5.900 463 HD2 ARG 61 2HD ARG 61 21.239 7.096 -5.831 464 HD3 ARG 61 3HD ARG 61 21.734 5.456 -6.248 465 HE ARG 61 HE ARG 61 23.169 5.948 -4.028 466 HH11 ARG 61 1HH1 ARG 61 19.790 6.329 -4.774 467 HH12 ARG 61 2HH1 ARG 61 19.265 6.045 -3.147 468 HH21 ARG 61 1HH2 ARG 61 22.491 5.573 -1.882 469 HH22 ARG 61 2HH2 ARG 61 20.802 5.617 -1.503 470 H ALA 62 H ALA 62 24.231 5.596 -10.199 471 HA ALA 62 HA ALA 62 25.744 3.715 -8.817 472 HB1 ALA 62 1HB ALA 62 24.927 2.486 -10.473 473 HB2 ALA 62 2HB ALA 62 24.527 3.933 -11.399 474 HB3 ALA 62 3HB ALA 62 26.124 3.200 -11.553 475 H MET 63 H MET 63 26.751 6.437 -10.691 476 HA MET 63 HA MET 63 29.513 5.468 -10.798 477 HB2 MET 63 2HB MET 63 28.119 7.799 -12.110 478 HB3 MET 63 3HB MET 63 29.863 7.578 -12.167 479 HG2 MET 63 2HG MET 63 28.744 5.131 -12.951 480 HG3 MET 63 3HG MET 63 27.824 6.384 -13.780 481 HE1 MET 63 1HE MET 63 30.678 8.437 -15.465 482 HE2 MET 63 2HE MET 63 29.052 7.930 -15.921 483 HE3 MET 63 3HE MET 63 29.349 8.600 -14.317 484 H ILE 64 H ILE 64 27.651 8.297 -9.711 485 HA ILE 64 HA ILE 64 29.673 9.774 -8.558 486 HB ILE 64 HB ILE 64 26.858 9.449 -7.512 487 HG12 ILE 64 2HG1 ILE 64 26.995 10.158 -9.883 488 HG13 ILE 64 3HG1 ILE 64 26.333 11.415 -8.844 489 HG21 ILE 64 1HG2 ILE 64 27.963 10.507 -5.779 490 HG22 ILE 64 2HG2 ILE 64 29.065 11.356 -6.863 491 HG23 ILE 64 3HG2 ILE 64 27.383 11.870 -6.735 492 HD11 ILE 64 1HD1 ILE 64 29.196 11.301 -9.756 493 HD12 ILE 64 2HD1 ILE 64 27.928 12.248 -10.536 494 HD13 ILE 64 3HD1 ILE 64 28.406 12.611 -8.878 495 H LEU 65 H LEU 65 27.780 7.152 -7.094 496 HA LEU 65 HA LEU 65 29.554 7.199 -4.761 497 HB2 LEU 65 2HB LEU 65 26.779 6.435 -5.245 498 HB3 LEU 65 3HB LEU 65 27.671 5.257 -4.284 499 HG LEU 65 HG LEU 65 26.496 6.783 -2.832 500 HD11 LEU 65 1HD1 LEU 65 29.246 7.817 -2.529 501 HD12 LEU 65 2HD1 LEU 65 29.056 6.064 -2.542 502 HD13 LEU 65 3HD1 LEU 65 28.187 7.036 -1.355 503 HD21 LEU 65 1HD2 LEU 65 26.255 8.686 -4.285 504 HD22 LEU 65 2HD2 LEU 65 27.999 8.947 -4.297 505 HD23 LEU 65 3HD2 LEU 65 27.081 9.190 -2.811 506 H GLY 66 H GLY 66 28.021 4.724 -6.835 507 HA2 GLY 66 2HA GLY 66 29.675 3.257 -8.033 508 HA3 GLY 66 3HA GLY 66 30.454 3.089 -6.467 509 H LYS 67 H LYS 67 26.978 3.147 -6.926 510 HA LYS 67 HA LYS 67 26.878 0.255 -6.403 511 HB2 LYS 67 2HB LYS 67 24.830 0.786 -4.957 512 HB3 LYS 67 3HB LYS 67 26.414 1.127 -4.273 513 HG2 LYS 67 2HG LYS 67 26.171 3.463 -4.691 514 HG3 LYS 67 3HG LYS 67 24.695 3.196 -5.621 515 HD2 LYS 67 2HD LYS 67 23.446 3.219 -3.775 516 HD3 LYS 67 3HD LYS 67 24.490 2.036 -2.984 517 HE2 LYS 67 2HE LYS 67 25.669 4.702 -3.178 518 HE3 LYS 67 3HE LYS 67 24.183 4.656 -2.232 519 HZ1 LYS 67 1HZ LYS 67 25.420 2.547 -1.234 520 HZ2 LYS 67 2HZ LYS 67 25.631 4.105 -0.610 521 HZ3 LYS 67 3HZ LYS 67 26.777 3.458 -1.673 522 H SER 68 H SER 68 25.769 -0.743 -7.938 523 HA SER 68 HA SER 68 23.673 0.759 -9.363 524 HB2 SER 68 2HB SER 68 24.113 -1.033 -11.178 525 HB3 SER 68 3HB SER 68 25.303 0.252 -10.975 526 HG SER 68 HG SER 68 25.569 -2.431 -10.612 527 H GLY 69 H GLY 69 22.860 -0.315 -7.040 528 HA2 GLY 69 2HA GLY 69 21.752 -2.966 -7.569 529 HA3 GLY 69 3HA GLY 69 21.688 -2.098 -6.042 530 H GLU 70 H GLU 70 20.343 -0.008 -6.167 531 HA GLU 70 HA GLU 70 17.694 -0.714 -6.773 532 HB2 GLU 70 2HB GLU 70 18.724 2.102 -6.435 533 HB3 GLU 70 3HB GLU 70 17.098 1.512 -6.121 534 HG2 GLU 70 2HG GLU 70 17.696 1.291 -4.003 535 HG3 GLU 70 3HG GLU 70 18.710 -0.059 -4.509 536 H LEU 71 H LEU 71 20.054 1.250 -8.517 537 HA LEU 71 HA LEU 71 18.430 2.322 -10.489 538 HB2 LEU 71 2HB LEU 71 20.630 3.106 -10.386 539 HB3 LEU 71 3HB LEU 71 21.306 1.480 -10.465 540 HG LEU 71 HG LEU 71 20.570 1.352 -12.838 541 HD11 LEU 71 1HD1 LEU 71 20.322 4.045 -13.503 542 HD12 LEU 71 2HD1 LEU 71 19.262 3.815 -12.113 543 HD13 LEU 71 3HD1 LEU 71 19.061 2.813 -13.551 544 HD21 LEU 71 1HD2 LEU 71 22.243 3.168 -13.611 545 HD22 LEU 71 2HD2 LEU 71 22.825 1.837 -12.611 546 HD23 LEU 71 3HD2 LEU 71 22.517 3.415 -11.886 547 H LYS 72 H LYS 72 19.949 -0.861 -10.321 548 HA LYS 72 HA LYS 72 19.423 -1.770 -12.892 549 HB2 LYS 72 2HB LYS 72 20.270 -2.895 -10.412 550 HB3 LYS 72 3HB LYS 72 19.014 -3.930 -11.078 551 HG2 LYS 72 2HG LYS 72 21.553 -3.087 -12.459 552 HG3 LYS 72 3HG LYS 72 21.190 -4.684 -11.800 553 HD2 LYS 72 2HD LYS 72 19.054 -4.148 -13.483 554 HD3 LYS 72 3HD LYS 72 20.454 -3.515 -14.353 555 HE2 LYS 72 2HE LYS 72 20.205 -6.295 -13.208 556 HE3 LYS 72 3HE LYS 72 20.004 -5.866 -14.906 557 HZ1 LYS 72 1HZ LYS 72 22.358 -4.900 -14.659 558 HZ2 LYS 72 2HZ LYS 72 22.183 -6.576 -14.797 559 HZ3 LYS 72 3HZ LYS 72 22.463 -5.877 -13.282 560 H THR 73 H THR 73 17.372 -1.938 -9.999 561 HA THR 73 HA THR 73 15.232 -3.317 -11.218 562 HB THR 73 HB THR 73 14.978 -1.402 -8.898 563 HG1 THR 73 HG1 THR 73 16.465 -2.722 -8.088 564 HG21 THR 73 1HG2 THR 73 13.505 -3.936 -8.908 565 HG22 THR 73 2HG2 THR 73 13.059 -2.837 -10.214 566 HG23 THR 73 3HG2 THR 73 12.951 -2.304 -8.536 567 H TRP 74 H TRP 74 15.962 0.115 -10.851 568 HA TRP 74 HA TRP 74 13.518 1.165 -11.707 569 HB2 TRP 74 2HB TRP 74 15.219 2.567 -10.680 570 HB3 TRP 74 3HB TRP 74 16.311 2.281 -12.032 571 HD1 TRP 74 HD1 TRP 74 16.414 4.294 -13.590 572 HE1 TRP 74 HE1 TRP 74 14.778 6.118 -14.377 573 HE3 TRP 74 HE3 TRP 74 12.259 2.831 -10.996 574 HZ2 TRP 74 HZ2 TRP 74 12.082 6.841 -13.954 575 HZ3 TRP 74 HZ3 TRP 74 10.192 4.143 -11.242 576 HH2 TRP 74 HH2 TRP 74 10.108 6.106 -12.691 577 H GLY 75 H GLY 75 16.462 0.485 -13.604 578 HA2 GLY 75 2HA GLY 75 15.574 1.277 -16.097 579 HA3 GLY 75 3HA GLY 75 16.724 -0.025 -15.828 580 H LEU 76 H LEU 76 14.685 -1.560 -14.286 581 HA LEU 76 HA LEU 76 13.442 -2.821 -16.590 582 HB2 LEU 76 2HB LEU 76 13.988 -3.584 -13.772 583 HB3 LEU 76 3HB LEU 76 12.642 -4.374 -14.592 584 HG LEU 76 HG LEU 76 15.529 -4.409 -15.472 585 HD11 LEU 76 1HD1 LEU 76 14.810 -6.980 -15.053 586 HD12 LEU 76 2HD1 LEU 76 13.879 -6.170 -13.794 587 HD13 LEU 76 3HD1 LEU 76 15.630 -5.972 -13.861 588 HD21 LEU 76 1HD2 LEU 76 14.182 -4.481 -17.423 589 HD22 LEU 76 2HD2 LEU 76 13.037 -5.594 -16.675 590 HD23 LEU 76 3HD2 LEU 76 14.665 -6.142 -17.079 591 H VAL 77 H VAL 77 12.376 -1.653 -13.393 592 HA VAL 77 HA VAL 77 9.636 -1.952 -13.786 593 HB VAL 77 HB VAL 77 11.107 0.086 -12.112 594 HG11 VAL 77 1HG1 VAL 77 8.264 -0.259 -12.661 595 HG12 VAL 77 2HG1 VAL 77 8.655 -0.300 -10.941 596 HG13 VAL 77 3HG1 VAL 77 9.120 1.093 -11.919 597 HG21 VAL 77 1HG2 VAL 77 9.918 -2.612 -11.494 598 HG22 VAL 77 2HG2 VAL 77 11.613 -2.137 -11.399 599 HG23 VAL 77 3HG2 VAL 77 10.444 -1.466 -10.261 600 H LEU 78 H LEU 78 11.820 0.552 -14.861 601 HA LEU 78 HA LEU 78 9.727 2.370 -15.636 602 HB2 LEU 78 2HB LEU 78 12.296 2.752 -15.028 603 HB3 LEU 78 3HB LEU 78 12.452 2.607 -16.778 604 HG LEU 78 HG LEU 78 10.949 4.687 -15.209 605 HD11 LEU 78 1HD1 LEU 78 12.811 5.291 -17.431 606 HD12 LEU 78 2HD1 LEU 78 13.510 4.697 -15.925 607 HD13 LEU 78 3HD1 LEU 78 12.522 6.157 -15.922 608 HD21 LEU 78 1HD2 LEU 78 10.435 5.548 -17.597 609 HD22 LEU 78 2HD2 LEU 78 9.416 4.289 -16.899 610 HD23 LEU 78 3HD2 LEU 78 10.665 3.865 -18.072 611 H GLY 79 H GLY 79 11.813 0.011 -17.231 612 HA2 GLY 79 2HA GLY 79 11.352 0.576 -19.887 613 HA3 GLY 79 3HA GLY 79 11.588 -1.048 -19.259 614 H ALA 80 H ALA 80 9.379 -1.563 -17.829 615 HA ALA 80 HA ALA 80 7.472 -2.244 -19.740 616 HB1 ALA 80 1HB ALA 80 7.106 -3.557 -17.958 617 HB2 ALA 80 2HB ALA 80 7.662 -2.334 -16.815 618 HB3 ALA 80 3HB ALA 80 6.017 -2.268 -17.446 619 H LEU 81 H LEU 81 7.353 0.369 -17.319 620 HA LEU 81 HA LEU 81 4.876 1.424 -18.076 621 HB2 LEU 81 2HB LEU 81 7.202 2.994 -16.985 622 HB3 LEU 81 3HB LEU 81 5.490 3.389 -16.854 623 HG LEU 81 HG LEU 81 6.672 0.930 -15.587 624 HD11 LEU 81 1HD1 LEU 81 6.194 3.516 -14.143 625 HD12 LEU 81 2HD1 LEU 81 7.761 3.117 -14.846 626 HD13 LEU 81 3HD1 LEU 81 7.070 2.087 -13.594 627 HD21 LEU 81 1HD2 LEU 81 4.045 2.074 -15.824 628 HD22 LEU 81 2HD2 LEU 81 4.525 1.980 -14.130 629 HD23 LEU 81 3HD2 LEU 81 4.536 0.528 -15.132 630 H LYS 82 H LYS 82 8.104 2.731 -18.862 631 HA LYS 82 HA LYS 82 7.340 4.668 -20.662 632 HB2 LYS 82 2HB LYS 82 9.749 3.546 -19.818 633 HB3 LYS 82 3HB LYS 82 9.745 3.306 -21.560 634 HG2 LYS 82 2HG LYS 82 9.758 5.563 -22.009 635 HG3 LYS 82 3HG LYS 82 9.057 5.985 -20.445 636 HD2 LYS 82 2HD LYS 82 11.355 4.877 -19.617 637 HD3 LYS 82 3HD LYS 82 11.873 5.475 -21.195 638 HE2 LYS 82 2HE LYS 82 10.415 7.572 -20.127 639 HE3 LYS 82 3HE LYS 82 11.302 6.928 -18.747 640 HZ1 LYS 82 1HZ LYS 82 12.366 8.051 -21.260 641 HZ2 LYS 82 2HZ LYS 82 13.307 7.015 -20.309 642 HZ3 LYS 82 3HZ LYS 82 12.743 8.475 -19.665 643 H ALA 83 H ALA 83 8.165 1.281 -21.386 644 HA ALA 83 HA ALA 83 7.843 1.305 -24.125 645 HB1 ALA 83 1HB ALA 83 7.475 -0.801 -22.045 646 HB2 ALA 83 2HB ALA 83 7.026 -1.142 -23.716 647 HB3 ALA 83 3HB ALA 83 8.683 -0.681 -23.325 648 H ALA 84 H ALA 84 5.410 1.374 -21.630 649 HA ALA 84 HA ALA 84 3.214 0.707 -23.346 650 HB1 ALA 84 1HB ALA 84 1.869 0.911 -21.492 651 HB2 ALA 84 2HB ALA 84 3.423 0.533 -20.748 652 HB3 ALA 84 3HB ALA 84 2.848 2.199 -20.789 653 H ARG 85 H ARG 85 4.306 3.739 -21.818 654 HA ARG 85 HA ARG 85 2.571 5.247 -23.627 655 HB2 ARG 85 2HB ARG 85 4.264 6.342 -21.383 656 HB3 ARG 85 3HB ARG 85 2.910 7.123 -22.187 657 HG2 ARG 85 2HG ARG 85 1.689 6.413 -20.470 658 HG3 ARG 85 3HG ARG 85 1.784 4.818 -21.218 659 HD2 ARG 85 2HD ARG 85 3.399 4.081 -19.760 660 HD3 ARG 85 3HD ARG 85 4.004 5.706 -19.442 661 HE ARG 85 HE ARG 85 2.540 5.853 -17.699 662 HH11 ARG 85 1HH1 ARG 85 1.481 3.316 -19.836 663 HH12 ARG 85 2HH1 ARG 85 0.204 2.790 -18.790 664 HH21 ARG 85 1HH2 ARG 85 0.862 5.169 -16.314 665 HH22 ARG 85 2HH2 ARG 85 -0.148 3.845 -16.787 666 H GLU 86 H GLU 86 4.206 4.381 -25.315 667 HA GLU 86 HA GLU 86 6.423 6.308 -25.554 668 HB2 GLU 86 2HB GLU 86 6.408 3.466 -25.760 669 HB3 GLU 86 3HB GLU 86 6.774 4.124 -27.349 670 HG2 GLU 86 2HG GLU 86 8.366 5.631 -25.717 671 HG3 GLU 86 3HG GLU 86 8.393 4.056 -24.926 672 H GLU 87 H GLU 87 4.543 4.211 -27.745 673 HA GLU 87 HA GLU 87 4.791 5.813 -30.003 674 HB2 GLU 87 2HB GLU 87 3.461 3.429 -29.319 675 HB3 GLU 87 3HB GLU 87 2.227 4.495 -29.977 676 HG2 GLU 87 2HG GLU 87 4.501 4.674 -31.653 677 HG3 GLU 87 3HG GLU 87 4.180 2.967 -31.354 Start of MODEL 10 1 H1 SER 1 H SER 1 2.299 -0.325 1.236 2 HA SER 1 HA SER 1 1.454 -0.070 -1.307 3 HB2 SER 1 2HB SER 1 3.856 0.083 -1.999 4 HB3 SER 1 3HB SER 1 3.472 1.032 -0.563 5 HG SER 1 HG SER 1 4.901 -1.387 -0.766 6 H GLU 2 H GLU 2 0.415 -2.458 -0.987 7 HA GLU 2 HA GLU 2 2.111 -4.498 -2.172 8 HB2 GLU 2 2HB GLU 2 -0.718 -4.509 -1.131 9 HB3 GLU 2 3HB GLU 2 -0.018 -5.888 -1.967 10 HG2 GLU 2 2HG GLU 2 1.870 -5.673 -0.202 11 HG3 GLU 2 3HG GLU 2 0.673 -4.745 0.700 12 H ALA 3 H ALA 3 -0.936 -2.838 -2.957 13 HA ALA 3 HA ALA 3 -1.464 -3.982 -5.412 14 HB1 ALA 3 1HB ALA 3 -2.669 -2.087 -3.957 15 HB2 ALA 3 2HB ALA 3 -1.949 -1.074 -5.209 16 HB3 ALA 3 3HB ALA 3 -3.045 -2.381 -5.656 17 H VAL 4 H VAL 4 0.526 -1.110 -4.737 18 HA VAL 4 HA VAL 4 1.201 -0.389 -7.311 19 HB VAL 4 HB VAL 4 2.991 -0.300 -4.878 20 HG11 VAL 4 1HG1 VAL 4 3.142 1.247 -7.464 21 HG12 VAL 4 2HG1 VAL 4 4.173 1.491 -6.052 22 HG13 VAL 4 3HG1 VAL 4 4.250 -0.025 -6.951 23 HG21 VAL 4 1HG2 VAL 4 0.844 1.501 -5.923 24 HG22 VAL 4 2HG2 VAL 4 1.130 0.941 -4.275 25 HG23 VAL 4 3HG2 VAL 4 2.183 2.164 -4.986 26 H ILE 5 H ILE 5 2.374 -3.063 -5.401 27 HA ILE 5 HA ILE 5 4.567 -3.658 -7.181 28 HB ILE 5 HB ILE 5 3.389 -5.322 -4.953 29 HG12 ILE 5 2HG1 ILE 5 5.862 -3.579 -4.960 30 HG13 ILE 5 3HG1 ILE 5 4.322 -3.120 -4.242 31 HG21 ILE 5 1HG2 ILE 5 6.041 -6.020 -5.295 32 HG22 ILE 5 2HG2 ILE 5 4.638 -6.953 -5.813 33 HG23 ILE 5 3HG2 ILE 5 5.431 -5.854 -6.941 34 HD11 ILE 5 1HD1 ILE 5 4.699 -4.321 -2.404 35 HD12 ILE 5 2HD1 ILE 5 5.328 -5.695 -3.314 36 HD13 ILE 5 3HD1 ILE 5 6.380 -4.331 -2.936 37 H LYS 6 H LYS 6 1.318 -4.888 -6.565 38 HA LYS 6 HA LYS 6 1.519 -7.099 -8.351 39 HB2 LYS 6 2HB LYS 6 -0.971 -5.699 -7.360 40 HB3 LYS 6 3HB LYS 6 -0.888 -7.311 -8.059 41 HG2 LYS 6 2HG LYS 6 0.458 -8.067 -6.168 42 HG3 LYS 6 3HG LYS 6 0.382 -6.449 -5.467 43 HD2 LYS 6 2HD LYS 6 -2.260 -7.381 -6.113 44 HD3 LYS 6 3HD LYS 6 -1.427 -8.561 -5.099 45 HE2 LYS 6 2HE LYS 6 -1.508 -7.231 -3.299 46 HE3 LYS 6 3HE LYS 6 -1.049 -5.802 -4.224 47 HZ1 LYS 6 1HZ LYS 6 -3.444 -5.916 -5.093 48 HZ2 LYS 6 2HZ LYS 6 -3.187 -5.330 -3.527 49 HZ3 LYS 6 3HZ LYS 6 -3.740 -6.912 -3.757 50 H VAL 7 H VAL 7 1.282 -3.791 -8.865 51 HA VAL 7 HA VAL 7 -0.129 -4.054 -11.413 52 HB VAL 7 HB VAL 7 0.920 -1.565 -10.060 53 HG11 VAL 7 1HG1 VAL 7 -1.000 -1.848 -12.368 54 HG12 VAL 7 2HG1 VAL 7 -0.421 -0.342 -11.654 55 HG13 VAL 7 3HG1 VAL 7 0.698 -1.399 -12.515 56 HG21 VAL 7 1HG2 VAL 7 -1.331 -3.169 -9.444 57 HG22 VAL 7 2HG2 VAL 7 -0.878 -1.609 -8.757 58 HG23 VAL 7 3HG2 VAL 7 -1.921 -1.677 -10.177 59 H ILE 8 H ILE 8 3.046 -3.355 -10.096 60 HA ILE 8 HA ILE 8 4.142 -2.807 -12.736 61 HB ILE 8 HB ILE 8 5.526 -2.913 -10.053 62 HG12 ILE 8 2HG1 ILE 8 4.619 -0.548 -11.709 63 HG13 ILE 8 3HG1 ILE 8 3.863 -1.103 -10.219 64 HG21 ILE 8 1HG2 ILE 8 7.037 -3.372 -11.918 65 HG22 ILE 8 2HG2 ILE 8 6.507 -1.892 -12.715 66 HG23 ILE 8 3HG2 ILE 8 7.381 -1.805 -11.186 67 HD11 ILE 8 1HD1 ILE 8 6.562 -0.733 -9.602 68 HD12 ILE 8 2HD1 ILE 8 6.091 0.655 -10.584 69 HD13 ILE 8 3HD1 ILE 8 5.195 0.269 -9.115 70 H SER 9 H SER 9 3.942 -5.386 -10.425 71 HA SER 9 HA SER 9 6.048 -6.942 -11.658 72 HB2 SER 9 2HB SER 9 5.649 -7.087 -9.227 73 HB3 SER 9 3HB SER 9 4.034 -7.726 -9.535 74 HG SER 9 HG SER 9 5.365 -9.461 -9.197 75 H SER 10 H SER 10 3.013 -6.194 -12.579 76 HA SER 10 HA SER 10 2.524 -8.834 -13.792 77 HB2 SER 10 2HB SER 10 0.779 -7.678 -12.215 78 HB3 SER 10 3HB SER 10 0.417 -6.704 -13.639 79 HG SER 10 HG SER 10 0.204 -9.508 -13.332 80 H ALA 11 H ALA 11 3.094 -5.476 -14.380 81 HA ALA 11 HA ALA 11 2.393 -5.689 -17.202 82 HB1 ALA 11 1HB ALA 11 1.808 -3.576 -16.804 83 HB2 ALA 11 2HB ALA 11 2.726 -3.521 -15.299 84 HB3 ALA 11 3HB ALA 11 3.532 -3.204 -16.835 85 H CYS 12 H CYS 12 5.123 -5.976 -15.165 86 HA CYS 12 HA CYS 12 7.074 -5.310 -17.184 87 HB2 CYS 12 2HB CYS 12 7.174 -6.274 -14.356 88 HB3 CYS 12 3HB CYS 12 8.600 -6.468 -15.368 89 HG CYS 12 HG CYS 12 9.335 -4.210 -14.237 90 H LYS 13 H LYS 13 5.584 -8.197 -15.870 91 HA LYS 13 HA LYS 13 7.360 -10.049 -17.111 92 HB2 LYS 13 2HB LYS 13 4.518 -10.614 -16.278 93 HB3 LYS 13 3HB LYS 13 5.860 -11.746 -16.379 94 HG2 LYS 13 2HG LYS 13 6.952 -10.620 -14.506 95 HG3 LYS 13 3HG LYS 13 5.603 -9.487 -14.403 96 HD2 LYS 13 2HD LYS 13 4.151 -11.085 -13.585 97 HD3 LYS 13 3HD LYS 13 5.071 -12.423 -14.277 98 HE2 LYS 13 2HE LYS 13 6.557 -12.478 -12.541 99 HE3 LYS 13 3HE LYS 13 6.383 -10.759 -12.195 100 HZ1 LYS 13 1HZ LYS 13 3.947 -12.146 -11.735 101 HZ2 LYS 13 2HZ LYS 13 4.853 -11.195 -10.670 102 HZ3 LYS 13 3HZ LYS 13 5.204 -12.841 -10.841 103 H THR 14 H THR 14 4.967 -8.042 -18.336 104 HA THR 14 HA THR 14 4.477 -9.803 -20.642 105 HB THR 14 HB THR 14 2.944 -7.366 -19.717 106 HG1 THR 14 HG1 THR 14 1.886 -8.816 -18.610 107 HG21 THR 14 1HG2 THR 14 1.354 -7.928 -21.505 108 HG22 THR 14 2HG2 THR 14 2.437 -9.205 -22.060 109 HG23 THR 14 3HG2 THR 14 2.941 -7.518 -22.153 110 H TYR 15 H TYR 15 5.773 -6.723 -19.647 111 HA TYR 15 HA TYR 15 6.183 -5.864 -22.400 112 HB2 TYR 15 2HB TYR 15 6.563 -4.568 -19.717 113 HB3 TYR 15 3HB TYR 15 7.311 -3.880 -21.154 114 HD1 TYR 15 HD1 TYR 15 3.952 -5.310 -20.317 115 HD2 TYR 15 HD2 TYR 15 6.155 -2.085 -22.006 116 HE1 TYR 15 HE1 TYR 15 1.845 -4.160 -20.855 117 HE2 TYR 15 HE2 TYR 15 4.055 -0.926 -22.547 118 HH TYR 15 HH TYR 15 1.327 -1.362 -21.258 119 H CYS 16 H CYS 16 8.168 -6.483 -19.508 120 HA CYS 16 HA CYS 16 10.654 -6.226 -20.804 121 HB2 CYS 16 2HB CYS 16 10.067 -7.912 -18.366 122 HB3 CYS 16 3HB CYS 16 11.614 -7.212 -18.826 123 HG CYS 16 HG CYS 16 10.210 -4.546 -18.649 124 H GLY 17 H GLY 17 8.627 -9.054 -20.118 125 HA2 GLY 17 2HA GLY 17 8.524 -11.085 -21.207 126 HA3 GLY 17 3HA GLY 17 9.651 -10.449 -22.396 127 H LYS 18 H LYS 18 9.325 -12.134 -19.357 128 HA LYS 18 HA LYS 18 10.755 -13.426 -18.145 129 HB2 LYS 18 2HB LYS 18 10.787 -14.554 -20.428 130 HB3 LYS 18 3HB LYS 18 12.320 -13.739 -20.704 131 HG2 LYS 18 2HG LYS 18 12.737 -14.904 -18.274 132 HG3 LYS 18 3HG LYS 18 11.704 -16.087 -19.081 133 HD2 LYS 18 2HD LYS 18 13.521 -15.360 -21.035 134 HD3 LYS 18 3HD LYS 18 14.491 -15.408 -19.561 135 HE2 LYS 18 2HE LYS 18 13.888 -17.665 -19.138 136 HE3 LYS 18 3HE LYS 18 12.632 -17.631 -20.375 137 HZ1 LYS 18 1HZ LYS 18 15.017 -18.660 -20.805 138 HZ2 LYS 18 2HZ LYS 18 15.358 -17.061 -21.240 139 HZ3 LYS 18 3HZ LYS 18 14.127 -17.908 -22.032 140 H THR 19 H THR 19 11.281 -10.622 -18.162 141 HA THR 19 HA THR 19 14.049 -10.692 -17.281 142 HB THR 19 HB THR 19 13.904 -8.251 -18.660 143 HG1 THR 19 HG1 THR 19 13.176 -8.728 -20.647 144 HG21 THR 19 1HG2 THR 19 15.635 -9.443 -20.143 145 HG22 THR 19 2HG2 THR 19 15.386 -10.829 -19.081 146 HG23 THR 19 3HG2 THR 19 15.980 -9.307 -18.419 147 H SER 20 H SER 20 11.183 -10.222 -16.310 148 HA SER 20 HA SER 20 11.071 -7.510 -15.441 149 HB2 SER 20 2HB SER 20 9.344 -8.637 -13.774 150 HB3 SER 20 3HB SER 20 8.957 -8.429 -15.482 151 HG SER 20 HG SER 20 9.910 -10.775 -14.203 152 HA PRO 21 HA PRO 21 13.474 -7.534 -11.772 153 HB2 PRO 21 2HB PRO 21 11.979 -6.022 -10.085 154 HB3 PRO 21 3HB PRO 21 12.852 -5.344 -11.464 155 HG2 PRO 21 2HG PRO 21 9.956 -6.063 -11.224 156 HG3 PRO 21 3HG PRO 21 10.696 -4.629 -11.959 157 HD2 PRO 21 2HD PRO 21 9.813 -6.727 -13.426 158 HD3 PRO 21 3HD PRO 21 11.204 -5.738 -13.914 159 H SER 22 H SER 22 12.981 -7.595 -9.181 160 HA SER 22 HA SER 22 11.517 -10.116 -8.792 161 HB2 SER 22 2HB SER 22 14.114 -9.372 -8.060 162 HB3 SER 22 3HB SER 22 13.193 -9.340 -6.557 163 HG SER 22 HG SER 22 12.908 -11.445 -6.667 164 H LYS 23 H LYS 23 10.100 -10.367 -7.060 165 HA LYS 23 HA LYS 23 8.421 -8.269 -6.438 166 HB2 LYS 23 2HB LYS 23 8.552 -10.987 -5.836 167 HB3 LYS 23 3HB LYS 23 8.549 -10.195 -4.265 168 HG2 LYS 23 2HG LYS 23 6.535 -8.891 -5.092 169 HG3 LYS 23 3HG LYS 23 6.478 -10.040 -6.431 170 HD2 LYS 23 2HD LYS 23 5.828 -11.774 -5.095 171 HD3 LYS 23 3HD LYS 23 6.664 -11.137 -3.677 172 HE2 LYS 23 2HE LYS 23 4.914 -9.304 -3.644 173 HE3 LYS 23 3HE LYS 23 4.029 -10.257 -4.834 174 HZ1 LYS 23 1HZ LYS 23 3.333 -11.668 -3.277 175 HZ2 LYS 23 2HZ LYS 23 3.824 -10.511 -2.144 176 HZ3 LYS 23 3HZ LYS 23 4.857 -11.787 -2.551 177 H LYS 24 H LYS 24 11.041 -9.600 -4.430 178 HA LYS 24 HA LYS 24 10.746 -7.768 -2.308 179 HB2 LYS 24 2HB LYS 24 11.994 -9.939 -2.207 180 HB3 LYS 24 3HB LYS 24 13.277 -9.190 -3.149 181 HG2 LYS 24 2HG LYS 24 13.919 -9.138 -0.860 182 HG3 LYS 24 3HG LYS 24 13.514 -7.489 -1.342 183 HD2 LYS 24 2HD LYS 24 11.785 -7.372 0.088 184 HD3 LYS 24 3HD LYS 24 11.253 -9.016 -0.274 185 HE2 LYS 24 2HE LYS 24 13.328 -9.730 1.096 186 HE3 LYS 24 3HE LYS 24 13.292 -8.079 1.713 187 HZ1 LYS 24 1HZ LYS 24 10.885 -8.552 2.274 188 HZ2 LYS 24 2HZ LYS 24 12.047 -9.335 3.221 189 HZ3 LYS 24 3HZ LYS 24 11.235 -10.185 2.004 190 H GLU 25 H GLU 25 12.939 -7.787 -5.107 191 HA GLU 25 HA GLU 25 14.418 -5.525 -4.559 192 HB2 GLU 25 2HB GLU 25 13.518 -6.804 -7.114 193 HB3 GLU 25 3HB GLU 25 14.383 -5.274 -7.166 194 HG2 GLU 25 2HG GLU 25 15.731 -7.425 -7.410 195 HG3 GLU 25 3HG GLU 25 16.328 -6.196 -6.297 196 H ILE 26 H ILE 26 11.282 -5.731 -6.211 197 HA ILE 26 HA ILE 26 10.960 -3.057 -6.875 198 HB ILE 26 HB ILE 26 8.825 -5.019 -6.028 199 HG12 ILE 26 2HG1 ILE 26 9.375 -4.252 -8.861 200 HG13 ILE 26 3HG1 ILE 26 10.457 -5.400 -8.081 201 HG21 ILE 26 1HG2 ILE 26 7.997 -2.746 -5.902 202 HG22 ILE 26 2HG2 ILE 26 8.598 -2.412 -7.525 203 HG23 ILE 26 3HG2 ILE 26 7.288 -3.568 -7.291 204 HD11 ILE 26 1HD1 ILE 26 9.019 -7.034 -8.444 205 HD12 ILE 26 2HD1 ILE 26 7.760 -6.163 -7.568 206 HD13 ILE 26 3HD1 ILE 26 7.976 -5.897 -9.298 207 H GLY 27 H GLY 27 10.649 -4.645 -3.788 208 HA2 GLY 27 2HA GLY 27 9.304 -2.407 -2.539 209 HA3 GLY 27 3HA GLY 27 9.879 -3.861 -1.737 210 H ALA 28 H ALA 28 12.546 -3.303 -3.188 211 HA ALA 28 HA ALA 28 13.603 -1.600 -1.060 212 HB1 ALA 28 1HB ALA 28 14.571 -3.879 -1.610 213 HB2 ALA 28 2HB ALA 28 15.219 -3.138 -3.074 214 HB3 ALA 28 3HB ALA 28 15.717 -2.544 -1.490 215 H MET 29 H MET 29 12.418 -1.130 -4.063 216 HA MET 29 HA MET 29 14.377 0.961 -4.735 217 HB2 MET 29 2HB MET 29 14.057 -0.720 -6.489 218 HB3 MET 29 3HB MET 29 12.329 -0.393 -6.500 219 HG2 MET 29 2HG MET 29 14.158 1.889 -6.968 220 HG3 MET 29 3HG MET 29 13.997 0.689 -8.248 221 HE1 MET 29 1HE MET 29 11.521 0.835 -9.991 222 HE2 MET 29 2HE MET 29 11.729 -0.338 -8.690 223 HE3 MET 29 3HE MET 29 10.223 0.571 -8.827 224 H LEU 30 H LEU 30 10.869 0.331 -4.896 225 HA LEU 30 HA LEU 30 9.990 2.900 -5.362 226 HB2 LEU 30 2HB LEU 30 8.832 0.512 -4.038 227 HB3 LEU 30 3HB LEU 30 8.003 2.049 -3.804 228 HG LEU 30 HG LEU 30 6.973 0.834 -5.612 229 HD11 LEU 30 1HD1 LEU 30 8.372 2.776 -7.278 230 HD12 LEU 30 2HD1 LEU 30 7.824 3.436 -5.738 231 HD13 LEU 30 3HD1 LEU 30 6.668 2.678 -6.833 232 HD21 LEU 30 1HD2 LEU 30 8.353 0.469 -7.718 233 HD22 LEU 30 2HD2 LEU 30 8.645 -0.632 -6.372 234 HD23 LEU 30 3HD2 LEU 30 9.772 0.687 -6.695 235 H SER 31 H SER 31 11.209 1.508 -2.415 236 HA SER 31 HA SER 31 10.260 3.613 -0.707 237 HB2 SER 31 2HB SER 31 10.589 1.552 0.391 238 HB3 SER 31 3HB SER 31 12.179 1.320 -0.336 239 HG SER 31 HG SER 31 11.478 2.664 1.933 240 H LEU 32 H LEU 32 13.461 2.684 -1.964 241 HA LEU 32 HA LEU 32 14.973 4.725 -0.896 242 HB2 LEU 32 2HB LEU 32 16.107 2.997 -2.004 243 HB3 LEU 32 3HB LEU 32 15.179 3.225 -3.485 244 HG LEU 32 HG LEU 32 16.411 5.157 -4.072 245 HD11 LEU 32 1HD1 LEU 32 16.967 5.258 -1.210 246 HD12 LEU 32 2HD1 LEU 32 16.899 6.556 -2.401 247 HD13 LEU 32 3HD1 LEU 32 18.373 5.607 -2.216 248 HD21 LEU 32 1HD2 LEU 32 17.633 2.674 -3.680 249 HD22 LEU 32 2HD2 LEU 32 18.802 3.870 -3.118 250 HD23 LEU 32 3HD2 LEU 32 18.157 3.969 -4.758 251 H LEU 33 H LEU 33 13.097 4.736 -3.905 252 HA LEU 33 HA LEU 33 13.829 7.191 -4.928 253 HB2 LEU 33 2HB LEU 33 11.109 5.893 -4.951 254 HB3 LEU 33 3HB LEU 33 11.586 7.247 -5.974 255 HG LEU 33 HG LEU 33 12.607 4.415 -6.076 256 HD11 LEU 33 1HD1 LEU 33 11.037 6.153 -7.965 257 HD12 LEU 33 2HD1 LEU 33 10.532 4.642 -7.208 258 HD13 LEU 33 3HD1 LEU 33 11.794 4.632 -8.439 259 HD21 LEU 33 1HD2 LEU 33 14.079 5.143 -7.872 260 HD22 LEU 33 2HD2 LEU 33 14.474 5.971 -6.366 261 HD23 LEU 33 3HD2 LEU 33 13.573 6.815 -7.627 262 H GLN 34 H GLN 34 11.588 6.460 -2.323 263 HA GLN 34 HA GLN 34 10.464 9.045 -2.087 264 HB2 GLN 34 2HB GLN 34 10.771 6.879 -0.001 265 HB3 GLN 34 3HB GLN 34 9.741 8.296 0.152 266 HG2 GLN 34 2HG GLN 34 8.385 7.553 -1.705 267 HG3 GLN 34 3HG GLN 34 9.451 6.172 -1.960 268 HE21 GLN 34 1HE2 GLN 34 6.663 7.249 -0.486 269 HE22 GLN 34 2HE2 GLN 34 6.417 5.940 0.613 270 H LYS 35 H LYS 35 12.876 7.437 -0.004 271 HA LYS 35 HA LYS 35 13.569 9.688 1.487 272 HB2 LYS 35 2HB LYS 35 15.733 8.435 1.906 273 HB3 LYS 35 3HB LYS 35 14.253 7.569 2.299 274 HG2 LYS 35 2HG LYS 35 14.411 6.272 0.284 275 HG3 LYS 35 3HG LYS 35 15.796 7.221 -0.263 276 HD2 LYS 35 2HD LYS 35 15.819 5.670 2.315 277 HD3 LYS 35 3HD LYS 35 16.296 4.952 0.775 278 HE2 LYS 35 2HE LYS 35 18.330 5.798 1.049 279 HE3 LYS 35 3HE LYS 35 17.641 7.418 0.968 280 HZ1 LYS 35 1HZ LYS 35 18.138 5.782 3.388 281 HZ2 LYS 35 2HZ LYS 35 17.186 7.180 3.407 282 HZ3 LYS 35 3HZ LYS 35 18.822 7.277 2.988 283 H GLU 36 H GLU 36 14.597 8.651 -1.680 284 HA GLU 36 HA GLU 36 16.876 10.345 -1.870 285 HB2 GLU 36 2HB GLU 36 15.431 8.499 -3.593 286 HB3 GLU 36 3HB GLU 36 15.975 9.924 -4.467 287 HG2 GLU 36 2HG GLU 36 17.875 8.457 -2.697 288 HG3 GLU 36 3HG GLU 36 17.501 7.830 -4.302 289 H GLY 37 H GLY 37 13.589 11.007 -1.819 290 HA2 GLY 37 2HA GLY 37 12.520 13.053 -1.978 291 HA3 GLY 37 3HA GLY 37 14.042 13.768 -2.489 292 H LEU 38 H LEU 38 12.919 10.988 -4.190 293 HA LEU 38 HA LEU 38 12.602 12.581 -6.592 294 HB2 LEU 38 2HB LEU 38 12.550 9.613 -6.089 295 HB3 LEU 38 3HB LEU 38 12.301 10.338 -7.676 296 HG LEU 38 HG LEU 38 14.817 10.497 -6.016 297 HD11 LEU 38 1HD1 LEU 38 15.043 8.426 -6.878 298 HD12 LEU 38 2HD1 LEU 38 15.526 9.316 -8.321 299 HD13 LEU 38 3HD1 LEU 38 13.876 8.715 -8.169 300 HD21 LEU 38 1HD2 LEU 38 13.846 12.096 -8.228 301 HD22 LEU 38 2HD2 LEU 38 15.362 11.284 -8.618 302 HD23 LEU 38 3HD2 LEU 38 15.260 12.329 -7.201 303 H LEU 39 H LEU 39 10.642 10.347 -4.647 304 HA LEU 39 HA LEU 39 8.240 11.647 -5.722 305 HB2 LEU 39 2HB LEU 39 7.179 9.301 -5.578 306 HB3 LEU 39 3HB LEU 39 8.173 9.711 -6.975 307 HG LEU 39 HG LEU 39 10.079 8.532 -5.740 308 HD11 LEU 39 1HD1 LEU 39 7.716 7.631 -4.112 309 HD12 LEU 39 2HD1 LEU 39 9.214 8.368 -3.544 310 HD13 LEU 39 3HD1 LEU 39 9.230 6.730 -4.198 311 HD21 LEU 39 1HD2 LEU 39 8.817 6.230 -6.291 312 HD22 LEU 39 2HD2 LEU 39 9.463 7.303 -7.534 313 HD23 LEU 39 3HD2 LEU 39 7.748 7.360 -7.124 314 H MET 40 H MET 40 6.296 11.221 -4.375 315 HA MET 40 HA MET 40 7.037 11.333 -1.555 316 HB2 MET 40 2HB MET 40 4.747 12.283 -3.184 317 HB3 MET 40 3HB MET 40 4.396 11.827 -1.522 318 HG2 MET 40 2HG MET 40 5.282 13.697 -0.732 319 HG3 MET 40 3HG MET 40 6.753 13.481 -1.679 320 HE1 MET 40 1HE MET 40 5.954 14.756 -5.051 321 HE2 MET 40 2HE MET 40 7.091 15.602 -4.002 322 HE3 MET 40 3HE MET 40 6.991 13.842 -3.955 323 H SER 41 H SER 41 5.396 9.291 -3.828 324 HA SER 41 HA SER 41 5.097 7.256 -1.762 325 HB2 SER 41 2HB SER 41 2.747 6.825 -2.979 326 HB3 SER 41 3HB SER 41 2.901 7.873 -1.569 327 HG SER 41 HG SER 41 2.963 9.651 -2.946 328 HA PRO 42 HA PRO 42 6.319 4.455 -4.907 329 HB2 PRO 42 2HB PRO 42 4.860 2.240 -4.325 330 HB3 PRO 42 3HB PRO 42 6.217 2.785 -3.332 331 HG2 PRO 42 2HG PRO 42 3.280 3.183 -2.911 332 HG3 PRO 42 3HG PRO 42 4.530 2.749 -1.731 333 HD2 PRO 42 2HD PRO 42 3.572 5.269 -1.977 334 HD3 PRO 42 3HD PRO 42 5.248 4.927 -1.501 335 H SER 43 H SER 43 3.049 5.448 -4.686 336 HA SER 43 HA SER 43 2.176 4.040 -7.061 337 HB2 SER 43 2HB SER 43 0.306 6.045 -6.443 338 HB3 SER 43 3HB SER 43 0.202 4.331 -6.041 339 HG SER 43 HG SER 43 1.025 6.491 -4.457 340 H ASP 44 H ASP 44 3.993 6.754 -6.472 341 HA ASP 44 HA ASP 44 3.007 8.587 -8.377 342 HB2 ASP 44 2HB ASP 44 4.849 8.801 -6.475 343 HB3 ASP 44 3HB ASP 44 5.933 8.445 -7.817 344 H LEU 45 H LEU 45 4.558 5.598 -8.745 345 HA LEU 45 HA LEU 45 6.079 5.968 -11.058 346 HB2 LEU 45 2HB LEU 45 5.058 3.767 -9.522 347 HB3 LEU 45 3HB LEU 45 4.892 3.428 -11.243 348 HG LEU 45 HG LEU 45 6.956 2.495 -10.498 349 HD11 LEU 45 1HD1 LEU 45 6.772 4.409 -12.526 350 HD12 LEU 45 2HD1 LEU 45 7.985 3.141 -12.354 351 HD13 LEU 45 3HD1 LEU 45 8.288 4.747 -11.690 352 HD21 LEU 45 1HD2 LEU 45 8.531 3.535 -9.177 353 HD22 LEU 45 2HD2 LEU 45 7.032 4.188 -8.516 354 HD23 LEU 45 3HD2 LEU 45 8.000 5.155 -9.630 355 H TYR 46 H TYR 46 2.673 5.942 -10.599 356 HA TYR 46 HA TYR 46 2.010 5.314 -13.331 357 HB2 TYR 46 2HB TYR 46 0.229 6.545 -11.223 358 HB3 TYR 46 3HB TYR 46 -0.276 5.710 -12.688 359 HD1 TYR 46 HD1 TYR 46 -0.688 5.252 -9.506 360 HD2 TYR 46 HD2 TYR 46 1.507 3.338 -12.608 361 HE1 TYR 46 HE1 TYR 46 -0.783 3.134 -8.259 362 HE2 TYR 46 HE2 TYR 46 1.417 1.215 -11.370 363 HH TYR 46 HH TYR 46 1.036 0.333 -9.254 364 H SER 47 H SER 47 3.417 7.929 -11.991 365 HA SER 47 HA SER 47 2.046 9.844 -13.757 366 HB2 SER 47 2HB SER 47 2.162 10.384 -11.300 367 HB3 SER 47 3HB SER 47 3.915 10.485 -11.465 368 HG SER 47 HG SER 47 2.486 12.479 -11.718 369 HA PRO 48 HA PRO 48 5.980 9.046 -15.968 370 HB2 PRO 48 2HB PRO 48 4.926 9.506 -18.428 371 HB3 PRO 48 3HB PRO 48 4.809 7.944 -17.610 372 HG2 PRO 48 2HG PRO 48 2.777 10.132 -17.813 373 HG3 PRO 48 3HG PRO 48 2.554 8.381 -17.974 374 HD2 PRO 48 2HD PRO 48 1.947 9.723 -15.702 375 HD3 PRO 48 3HD PRO 48 2.530 8.047 -15.693 376 H GLY 49 H GLY 49 6.267 11.211 -14.689 377 HA2 GLY 49 2HA GLY 49 6.848 13.241 -16.692 378 HA3 GLY 49 3HA GLY 49 5.722 13.716 -15.429 379 H SER 50 H SER 50 8.074 11.461 -14.441 380 HA SER 50 HA SER 50 9.935 13.527 -13.547 381 HB2 SER 50 2HB SER 50 8.144 11.939 -11.787 382 HB3 SER 50 3HB SER 50 9.811 12.137 -11.249 383 HG SER 50 HG SER 50 7.865 14.120 -11.749 384 H TRP 51 H TRP 51 9.610 10.856 -15.193 385 HA TRP 51 HA TRP 51 11.532 9.098 -14.020 386 HB2 TRP 51 2HB TRP 51 10.427 9.226 -16.833 387 HB3 TRP 51 3HB TRP 51 11.427 7.919 -16.205 388 HD1 TRP 51 HD1 TRP 51 9.627 8.274 -13.294 389 HE1 TRP 51 HE1 TRP 51 7.421 6.948 -13.230 390 HE3 TRP 51 HE3 TRP 51 9.031 7.447 -18.303 391 HZ2 TRP 51 HZ2 TRP 51 5.663 5.714 -15.061 392 HZ3 TRP 51 HZ3 TRP 51 7.061 6.185 -19.065 393 HH2 TRP 51 HH2 TRP 51 5.413 5.337 -17.475 394 H ASP 52 H ASP 52 11.668 11.810 -16.185 395 HA ASP 52 HA ASP 52 14.088 11.394 -17.471 396 HB2 ASP 52 2HB ASP 52 12.390 13.695 -16.845 397 HB3 ASP 52 3HB ASP 52 14.097 14.108 -16.976 398 HA PRO 53 HA PRO 53 16.358 13.568 -13.804 399 HB2 PRO 53 2HB PRO 53 14.934 13.997 -11.533 400 HB3 PRO 53 3HB PRO 53 15.016 15.171 -12.852 401 HG2 PRO 53 2HG PRO 53 12.870 13.184 -12.215 402 HG3 PRO 53 3HG PRO 53 12.713 14.879 -12.711 403 HD2 PRO 53 2HD PRO 53 12.378 12.819 -14.437 404 HD3 PRO 53 3HD PRO 53 13.040 14.388 -14.940 405 H ILE 54 H ILE 54 13.815 11.315 -12.772 406 HA ILE 54 HA ILE 54 15.275 10.080 -10.705 407 HB ILE 54 HB ILE 54 12.995 9.046 -12.388 408 HG12 ILE 54 2HG1 ILE 54 12.985 9.910 -9.497 409 HG13 ILE 54 3HG1 ILE 54 12.672 11.031 -10.818 410 HG21 ILE 54 1HG2 ILE 54 12.733 7.335 -10.590 411 HG22 ILE 54 2HG2 ILE 54 14.172 7.128 -11.588 412 HG23 ILE 54 3HG2 ILE 54 14.312 7.821 -9.973 413 HD11 ILE 54 1HD1 ILE 54 10.929 9.077 -11.429 414 HD12 ILE 54 2HD1 ILE 54 10.970 8.932 -9.672 415 HD13 ILE 54 3HD1 ILE 54 10.540 10.470 -10.420 416 H THR 55 H THR 55 15.162 9.546 -14.162 417 HA THR 55 HA THR 55 16.674 7.083 -14.016 418 HB THR 55 HB THR 55 15.868 8.752 -16.407 419 HG1 THR 55 HG1 THR 55 14.123 7.497 -16.474 420 HG21 THR 55 1HG2 THR 55 17.257 6.093 -16.177 421 HG22 THR 55 2HG2 THR 55 17.747 7.513 -17.102 422 HG23 THR 55 3HG2 THR 55 16.358 6.558 -17.620 423 H ALA 56 H ALA 56 17.254 10.471 -14.756 424 HA ALA 56 HA ALA 56 19.946 10.063 -15.660 425 HB1 ALA 56 1HB ALA 56 19.158 12.735 -14.689 426 HB2 ALA 56 2HB ALA 56 19.934 12.255 -16.199 427 HB3 ALA 56 3HB ALA 56 18.191 12.068 -16.005 428 H ALA 57 H ALA 57 18.399 10.543 -12.602 429 HA ALA 57 HA ALA 57 20.780 11.388 -11.218 430 HB1 ALA 57 1HB ALA 57 19.308 10.912 -9.175 431 HB2 ALA 57 2HB ALA 57 18.813 12.209 -10.264 432 HB3 ALA 57 3HB ALA 57 18.012 10.639 -10.340 433 H LEU 58 H LEU 58 18.883 8.399 -11.460 434 HA LEU 58 HA LEU 58 20.430 6.882 -9.660 435 HB2 LEU 58 2HB LEU 58 18.638 6.123 -11.950 436 HB3 LEU 58 3HB LEU 58 19.453 4.919 -10.953 437 HG LEU 58 HG LEU 58 17.504 6.970 -9.906 438 HD11 LEU 58 1HD1 LEU 58 16.521 4.329 -9.690 439 HD12 LEU 58 2HD1 LEU 58 17.023 4.573 -11.363 440 HD13 LEU 58 3HD1 LEU 58 15.859 5.672 -10.623 441 HD21 LEU 58 1HD2 LEU 58 17.902 6.179 -7.846 442 HD22 LEU 58 2HD2 LEU 58 19.423 5.612 -8.535 443 HD23 LEU 58 3HD2 LEU 58 18.050 4.513 -8.405 444 H SER 59 H SER 59 20.548 7.146 -13.204 445 HA SER 59 HA SER 59 22.607 5.325 -13.663 446 HB2 SER 59 2HB SER 59 21.331 6.169 -15.518 447 HB3 SER 59 3HB SER 59 21.825 7.826 -15.174 448 HG SER 59 HG SER 59 23.197 7.239 -16.733 449 H GLN 60 H GLN 60 22.720 8.719 -12.740 450 HA GLN 60 HA GLN 60 25.551 8.972 -13.050 451 HB2 GLN 60 2HB GLN 60 23.439 10.728 -12.677 452 HB3 GLN 60 3HB GLN 60 24.332 10.833 -11.166 453 HG2 GLN 60 2HG GLN 60 25.023 12.502 -12.849 454 HG3 GLN 60 3HG GLN 60 26.334 11.451 -12.314 455 HE21 GLN 60 1HE2 GLN 60 27.641 11.391 -14.027 456 HE22 GLN 60 2HE2 GLN 60 27.176 10.896 -15.616 457 H ARG 61 H ARG 61 23.437 7.870 -10.539 458 HA ARG 61 HA ARG 61 25.226 8.192 -8.356 459 HB2 ARG 61 2HB ARG 61 22.733 7.856 -8.193 460 HB3 ARG 61 3HB ARG 61 23.001 6.165 -8.597 461 HG2 ARG 61 2HG ARG 61 24.535 6.067 -6.588 462 HG3 ARG 61 3HG ARG 61 23.892 7.649 -6.145 463 HD2 ARG 61 2HD ARG 61 21.615 6.688 -6.170 464 HD3 ARG 61 3HD ARG 61 22.313 5.106 -6.516 465 HE ARG 61 HE ARG 61 23.353 6.366 -4.143 466 HH11 ARG 61 1HH1 ARG 61 20.874 4.310 -5.464 467 HH12 ARG 61 2HH1 ARG 61 20.531 3.532 -3.954 468 HH21 ARG 61 1HH2 ARG 61 22.911 5.350 -2.149 469 HH22 ARG 61 2HH2 ARG 61 21.690 4.126 -2.069 470 H ALA 62 H ALA 62 24.623 5.603 -10.664 471 HA ALA 62 HA ALA 62 26.185 3.622 -9.386 472 HB1 ALA 62 1HB ALA 62 26.046 2.402 -11.453 473 HB2 ALA 62 2HB ALA 62 24.488 3.167 -11.137 474 HB3 ALA 62 3HB ALA 62 25.586 3.861 -12.331 475 H MET 63 H MET 63 27.059 6.468 -10.989 476 HA MET 63 HA MET 63 29.766 5.451 -11.532 477 HB2 MET 63 2HB MET 63 28.378 7.918 -12.594 478 HB3 MET 63 3HB MET 63 30.034 7.456 -12.963 479 HG2 MET 63 2HG MET 63 28.790 5.206 -13.688 480 HG3 MET 63 3HG MET 63 27.487 6.359 -13.966 481 HE1 MET 63 1HE MET 63 29.545 9.037 -15.919 482 HE2 MET 63 2HE MET 63 27.944 8.439 -16.355 483 HE3 MET 63 3HE MET 63 28.342 8.740 -14.663 484 H ILE 64 H ILE 64 27.936 8.014 -9.949 485 HA ILE 64 HA ILE 64 30.263 9.357 -8.943 486 HB ILE 64 HB ILE 64 27.371 9.609 -8.111 487 HG12 ILE 64 2HG1 ILE 64 28.893 11.611 -9.745 488 HG13 ILE 64 3HG1 ILE 64 28.181 10.204 -10.528 489 HG21 ILE 64 1HG2 ILE 64 28.572 11.980 -7.505 490 HG22 ILE 64 2HG2 ILE 64 28.252 10.684 -6.354 491 HG23 ILE 64 3HG2 ILE 64 29.839 10.819 -7.109 492 HD11 ILE 64 1HD1 ILE 64 25.997 10.857 -9.905 493 HD12 ILE 64 2HD1 ILE 64 26.608 12.100 -8.813 494 HD13 ILE 64 3HD1 ILE 64 26.794 12.289 -10.556 495 H LEU 65 H LEU 65 27.789 7.230 -7.537 496 HA LEU 65 HA LEU 65 29.433 6.981 -5.118 497 HB2 LEU 65 2HB LEU 65 26.540 6.572 -5.719 498 HB3 LEU 65 3HB LEU 65 27.270 5.698 -4.374 499 HG LEU 65 HG LEU 65 27.889 8.527 -4.270 500 HD11 LEU 65 1HD1 LEU 65 25.714 9.402 -3.871 501 HD12 LEU 65 2HD1 LEU 65 24.974 7.810 -4.037 502 HD13 LEU 65 3HD1 LEU 65 25.678 8.606 -5.445 503 HD21 LEU 65 1HD2 LEU 65 26.777 6.402 -2.494 504 HD22 LEU 65 2HD2 LEU 65 26.635 8.094 -2.016 505 HD23 LEU 65 3HD2 LEU 65 28.227 7.388 -2.301 506 H GLY 66 H GLY 66 29.254 5.522 -7.984 507 HA2 GLY 66 2HA GLY 66 29.732 3.423 -8.786 508 HA3 GLY 66 3HA GLY 66 30.661 3.243 -7.305 509 H LYS 67 H LYS 67 27.217 3.763 -7.233 510 HA LYS 67 HA LYS 67 26.796 0.916 -6.626 511 HB2 LYS 67 2HB LYS 67 25.417 1.446 -4.737 512 HB3 LYS 67 3HB LYS 67 26.952 2.280 -4.534 513 HG2 LYS 67 2HG LYS 67 25.730 4.284 -5.625 514 HG3 LYS 67 3HG LYS 67 24.263 3.405 -5.186 515 HD2 LYS 67 2HD LYS 67 26.464 4.220 -3.287 516 HD3 LYS 67 3HD LYS 67 24.903 5.025 -3.460 517 HE2 LYS 67 2HE LYS 67 24.406 3.673 -1.700 518 HE3 LYS 67 3HE LYS 67 24.019 2.561 -3.012 519 HZ1 LYS 67 1HZ LYS 67 25.693 2.012 -0.982 520 HZ2 LYS 67 2HZ LYS 67 26.781 2.503 -2.180 521 HZ3 LYS 67 3HZ LYS 67 25.714 1.225 -2.480 522 H SER 68 H SER 68 25.091 0.026 -7.615 523 HA SER 68 HA SER 68 23.034 1.807 -8.736 524 HB2 SER 68 2HB SER 68 23.004 0.564 -10.802 525 HB3 SER 68 3HB SER 68 24.667 1.059 -10.489 526 HG SER 68 HG SER 68 23.533 -1.496 -9.993 527 H GLY 69 H GLY 69 22.484 0.742 -6.390 528 HA2 GLY 69 2HA GLY 69 21.481 -1.890 -6.343 529 HA3 GLY 69 3HA GLY 69 21.022 -0.602 -5.239 530 H GLU 70 H GLU 70 19.168 0.602 -5.632 531 HA GLU 70 HA GLU 70 17.003 -0.682 -6.759 532 HB2 GLU 70 2HB GLU 70 15.790 1.137 -6.135 533 HB3 GLU 70 3HB GLU 70 17.268 1.525 -5.266 534 HG2 GLU 70 2HG GLU 70 17.972 2.977 -7.091 535 HG3 GLU 70 3HG GLU 70 16.505 2.577 -7.981 536 H LEU 71 H LEU 71 19.372 1.378 -8.278 537 HA LEU 71 HA LEU 71 18.087 2.135 -10.600 538 HB2 LEU 71 2HB LEU 71 20.254 2.980 -10.131 539 HB3 LEU 71 3HB LEU 71 20.950 1.362 -10.101 540 HG LEU 71 HG LEU 71 20.679 1.169 -12.504 541 HD11 LEU 71 1HD1 LEU 71 18.822 3.291 -12.128 542 HD12 LEU 71 2HD1 LEU 71 19.154 2.355 -13.585 543 HD13 LEU 71 3HD1 LEU 71 20.070 3.825 -13.255 544 HD21 LEU 71 1HD2 LEU 71 22.053 3.379 -13.067 545 HD22 LEU 71 2HD2 LEU 71 22.760 2.022 -12.189 546 HD23 LEU 71 3HD2 LEU 71 22.171 3.432 -11.308 547 H LYS 72 H LYS 72 19.463 -0.976 -9.744 548 HA LYS 72 HA LYS 72 19.414 -2.157 -12.299 549 HB2 LYS 72 2HB LYS 72 20.075 -2.948 -9.675 550 HB3 LYS 72 3HB LYS 72 18.855 -4.085 -10.234 551 HG2 LYS 72 2HG LYS 72 21.476 -3.447 -11.569 552 HG3 LYS 72 3HG LYS 72 21.037 -4.943 -10.742 553 HD2 LYS 72 2HD LYS 72 19.042 -4.484 -12.674 554 HD3 LYS 72 3HD LYS 72 20.589 -4.182 -13.470 555 HE2 LYS 72 2HE LYS 72 21.148 -6.452 -12.100 556 HE3 LYS 72 3HE LYS 72 19.436 -6.689 -12.447 557 HZ1 LYS 72 1HZ LYS 72 19.979 -6.185 -14.811 558 HZ2 LYS 72 2HZ LYS 72 20.665 -7.617 -14.229 559 HZ3 LYS 72 3HZ LYS 72 21.619 -6.230 -14.400 560 H THR 73 H THR 73 16.942 -1.663 -9.883 561 HA THR 73 HA THR 73 15.043 -3.378 -11.257 562 HB THR 73 HB THR 73 14.731 -1.627 -8.813 563 HG1 THR 73 HG1 THR 73 16.020 -3.627 -8.696 564 HG21 THR 73 1HG2 THR 73 12.783 -3.571 -10.060 565 HG22 THR 73 2HG2 THR 73 12.598 -1.819 -9.973 566 HG23 THR 73 3HG2 THR 73 12.579 -2.783 -8.496 567 H TRP 74 H TRP 74 15.781 0.021 -10.908 568 HA TRP 74 HA TRP 74 13.376 1.094 -11.885 569 HB2 TRP 74 2HB TRP 74 15.091 2.447 -10.755 570 HB3 TRP 74 3HB TRP 74 16.179 2.210 -12.120 571 HD1 TRP 74 HD1 TRP 74 16.244 4.240 -13.658 572 HE1 TRP 74 HE1 TRP 74 14.595 6.084 -14.368 573 HE3 TRP 74 HE3 TRP 74 12.148 2.735 -10.994 574 HZ2 TRP 74 HZ2 TRP 74 11.913 6.805 -13.866 575 HZ3 TRP 74 HZ3 TRP 74 10.080 4.058 -11.164 576 HH2 TRP 74 HH2 TRP 74 9.967 6.051 -12.570 577 H GLY 75 H GLY 75 16.409 0.307 -13.583 578 HA2 GLY 75 2HA GLY 75 15.613 1.090 -16.144 579 HA3 GLY 75 3HA GLY 75 16.829 -0.131 -15.796 580 H LEU 76 H LEU 76 14.625 -1.625 -14.278 581 HA LEU 76 HA LEU 76 13.649 -3.060 -16.627 582 HB2 LEU 76 2HB LEU 76 13.993 -3.725 -13.740 583 HB3 LEU 76 3HB LEU 76 12.838 -4.644 -14.702 584 HG LEU 76 HG LEU 76 15.806 -4.417 -15.202 585 HD11 LEU 76 1HD1 LEU 76 15.903 -6.041 -13.681 586 HD12 LEU 76 2HD1 LEU 76 15.127 -7.066 -14.888 587 HD13 LEU 76 3HD1 LEU 76 14.151 -6.249 -13.667 588 HD21 LEU 76 1HD2 LEU 76 15.053 -4.707 -17.334 589 HD22 LEU 76 2HD2 LEU 76 13.556 -5.486 -16.822 590 HD23 LEU 76 3HD2 LEU 76 15.072 -6.390 -16.805 591 H VAL 77 H VAL 77 12.476 -1.346 -13.784 592 HA VAL 77 HA VAL 77 9.719 -1.955 -14.224 593 HB VAL 77 HB VAL 77 11.020 0.201 -12.556 594 HG11 VAL 77 1HG1 VAL 77 8.536 -0.203 -11.496 595 HG12 VAL 77 2HG1 VAL 77 8.981 1.132 -12.560 596 HG13 VAL 77 3HG1 VAL 77 8.219 -0.312 -13.227 597 HG21 VAL 77 1HG2 VAL 77 11.301 -2.326 -12.038 598 HG22 VAL 77 2HG2 VAL 77 10.850 -1.225 -10.737 599 HG23 VAL 77 3HG2 VAL 77 9.622 -2.228 -11.508 600 H LEU 78 H LEU 78 11.870 0.672 -15.136 601 HA LEU 78 HA LEU 78 9.825 2.393 -16.123 602 HB2 LEU 78 2HB LEU 78 12.536 2.603 -15.616 603 HB3 LEU 78 3HB LEU 78 12.428 2.729 -17.370 604 HG LEU 78 HG LEU 78 11.209 4.536 -15.298 605 HD11 LEU 78 1HD1 LEU 78 13.620 4.755 -16.189 606 HD12 LEU 78 2HD1 LEU 78 12.591 6.186 -16.161 607 HD13 LEU 78 3HD1 LEU 78 12.853 5.318 -17.674 608 HD21 LEU 78 1HD2 LEU 78 10.374 4.010 -18.085 609 HD22 LEU 78 2HD2 LEU 78 10.494 5.701 -17.598 610 HD23 LEU 78 3HD2 LEU 78 9.440 4.599 -16.709 611 H GLY 79 H GLY 79 12.022 0.054 -17.630 612 HA2 GLY 79 2HA GLY 79 11.484 0.507 -20.300 613 HA3 GLY 79 3HA GLY 79 11.865 -1.071 -19.628 614 H ALA 80 H ALA 80 9.435 -0.978 -17.908 615 HA ALA 80 HA ALA 80 7.630 -2.130 -19.839 616 HB1 ALA 80 1HB ALA 80 7.235 -1.726 -16.877 617 HB2 ALA 80 2HB ALA 80 6.292 -2.776 -17.934 618 HB3 ALA 80 3HB ALA 80 7.987 -3.140 -17.616 619 H LEU 81 H LEU 81 7.380 0.507 -17.448 620 HA LEU 81 HA LEU 81 4.862 1.428 -18.276 621 HB2 LEU 81 2HB LEU 81 7.052 3.100 -17.064 622 HB3 LEU 81 3HB LEU 81 5.317 3.398 -16.997 623 HG LEU 81 HG LEU 81 6.855 1.232 -15.573 624 HD11 LEU 81 1HD1 LEU 81 5.853 2.375 -13.577 625 HD12 LEU 81 2HD1 LEU 81 5.351 3.674 -14.659 626 HD13 LEU 81 3HD1 LEU 81 7.065 3.314 -14.449 627 HD21 LEU 81 1HD2 LEU 81 4.073 1.343 -16.378 628 HD22 LEU 81 2HD2 LEU 81 4.253 1.240 -14.626 629 HD23 LEU 81 3HD2 LEU 81 4.991 0.018 -15.662 630 H LYS 82 H LYS 82 8.092 2.755 -19.003 631 HA LYS 82 HA LYS 82 7.358 4.771 -20.730 632 HB2 LYS 82 2HB LYS 82 9.745 3.592 -19.930 633 HB3 LYS 82 3HB LYS 82 9.729 3.369 -21.674 634 HG2 LYS 82 2HG LYS 82 9.856 5.608 -22.104 635 HG3 LYS 82 3HG LYS 82 9.066 6.056 -20.590 636 HD2 LYS 82 2HD LYS 82 11.309 4.906 -19.635 637 HD3 LYS 82 3HD LYS 82 11.913 5.538 -21.169 638 HE2 LYS 82 2HE LYS 82 10.269 7.500 -19.868 639 HE3 LYS 82 3HE LYS 82 11.521 6.934 -18.763 640 HZ1 LYS 82 1HZ LYS 82 12.640 8.576 -19.841 641 HZ2 LYS 82 2HZ LYS 82 11.790 8.385 -21.291 642 HZ3 LYS 82 3HZ LYS 82 13.010 7.289 -20.875 643 H ALA 83 H ALA 83 8.144 1.405 -21.591 644 HA ALA 83 HA ALA 83 7.778 1.538 -24.321 645 HB1 ALA 83 1HB ALA 83 6.921 -0.925 -23.956 646 HB2 ALA 83 2HB ALA 83 8.605 -0.490 -23.664 647 HB3 ALA 83 3HB ALA 83 7.485 -0.635 -22.310 648 H ALA 84 H ALA 84 5.375 1.434 -21.781 649 HA ALA 84 HA ALA 84 3.162 0.902 -23.523 650 HB1 ALA 84 1HB ALA 84 2.425 2.186 -21.042 651 HB2 ALA 84 2HB ALA 84 2.059 0.561 -21.622 652 HB3 ALA 84 3HB ALA 84 3.573 0.874 -20.775 653 H ARG 85 H ARG 85 4.212 3.797 -21.720 654 HA ARG 85 HA ARG 85 2.375 5.470 -23.195 655 HB2 ARG 85 2HB ARG 85 4.482 6.121 -21.128 656 HB3 ARG 85 3HB ARG 85 3.402 7.309 -21.846 657 HG2 ARG 85 2HG ARG 85 1.900 6.858 -20.290 658 HG3 ARG 85 3HG ARG 85 1.792 5.201 -20.886 659 HD2 ARG 85 2HD ARG 85 3.355 4.417 -19.344 660 HD3 ARG 85 3HD ARG 85 3.996 6.030 -19.035 661 HE ARG 85 HE ARG 85 2.403 6.300 -17.425 662 HH11 ARG 85 1HH1 ARG 85 1.428 3.713 -19.540 663 HH12 ARG 85 2HH1 ARG 85 0.055 3.271 -18.581 664 HH21 ARG 85 1HH2 ARG 85 0.597 5.729 -16.153 665 HH22 ARG 85 2HH2 ARG 85 -0.418 4.419 -16.655 666 H GLU 86 H GLU 86 3.574 4.634 -25.225 667 HA GLU 86 HA GLU 86 5.857 6.398 -25.814 668 HB2 GLU 86 2HB GLU 86 5.608 3.653 -26.157 669 HB3 GLU 86 3HB GLU 86 5.353 4.303 -27.771 670 HG2 GLU 86 2HG GLU 86 7.699 5.070 -26.062 671 HG3 GLU 86 3HG GLU 86 7.722 3.694 -27.163 672 H GLU 87 H GLU 87 2.991 7.101 -25.906 673 HA GLU 87 HA GLU 87 2.208 7.225 -28.653 674 HB2 GLU 87 2HB GLU 87 0.380 8.624 -27.874 675 HB3 GLU 87 3HB GLU 87 0.569 7.234 -26.814 676 HG2 GLU 87 2HG GLU 87 2.069 8.922 -25.451 677 HG3 GLU 87 3HG GLU 87 1.068 10.109 -26.284 Start of MODEL 11 1 H1 SER 1 H SER 1 0.009 -0.041 0.504 2 HA SER 1 HA SER 1 0.715 1.144 -2.071 3 HB2 SER 1 2HB SER 1 3.087 0.893 -1.121 4 HB3 SER 1 3HB SER 1 2.021 2.045 -0.318 5 HG SER 1 HG SER 1 2.493 0.946 1.407 6 H GLU 2 H GLU 2 0.617 -1.911 -0.438 7 HA GLU 2 HA GLU 2 2.460 -3.417 -1.834 8 HB2 GLU 2 2HB GLU 2 1.047 -5.362 -1.335 9 HB3 GLU 2 3HB GLU 2 1.200 -4.300 0.057 10 HG2 GLU 2 2HG GLU 2 -1.006 -3.331 -0.487 11 HG3 GLU 2 3HG GLU 2 -1.160 -4.499 -1.799 12 H ALA 3 H ALA 3 -0.742 -2.365 -2.823 13 HA ALA 3 HA ALA 3 -1.143 -3.969 -5.051 14 HB1 ALA 3 1HB ALA 3 -2.783 -2.454 -5.719 15 HB2 ALA 3 2HB ALA 3 -2.704 -2.238 -3.970 16 HB3 ALA 3 3HB ALA 3 -1.920 -1.074 -5.039 17 H VAL 4 H VAL 4 0.680 -0.950 -4.757 18 HA VAL 4 HA VAL 4 1.236 -0.506 -7.450 19 HB VAL 4 HB VAL 4 3.126 0.066 -5.166 20 HG11 VAL 4 1HG1 VAL 4 4.122 1.666 -6.531 21 HG12 VAL 4 2HG1 VAL 4 3.830 0.320 -7.635 22 HG13 VAL 4 3HG1 VAL 4 2.751 1.716 -7.639 23 HG21 VAL 4 1HG2 VAL 4 0.622 1.444 -6.055 24 HG22 VAL 4 2HG2 VAL 4 1.159 1.048 -4.423 25 HG23 VAL 4 3HG2 VAL 4 1.932 2.361 -5.311 26 H ILE 5 H ILE 5 3.293 -2.161 -5.049 27 HA ILE 5 HA ILE 5 5.265 -2.998 -6.853 28 HB ILE 5 HB ILE 5 4.430 -4.372 -4.296 29 HG12 ILE 5 2HG1 ILE 5 6.618 -2.326 -4.680 30 HG13 ILE 5 3HG1 ILE 5 5.001 -1.912 -4.120 31 HG21 ILE 5 1HG2 ILE 5 6.486 -4.917 -6.259 32 HG22 ILE 5 2HG2 ILE 5 7.165 -4.645 -4.654 33 HG23 ILE 5 3HG2 ILE 5 5.942 -5.893 -4.895 34 HD11 ILE 5 1HD1 ILE 5 5.936 -2.164 -2.099 35 HD12 ILE 5 2HD1 ILE 5 5.624 -3.876 -2.389 36 HD13 ILE 5 3HD1 ILE 5 7.223 -3.205 -2.705 37 H LYS 6 H LYS 6 2.079 -4.140 -6.338 38 HA LYS 6 HA LYS 6 2.579 -6.768 -7.463 39 HB2 LYS 6 2HB LYS 6 0.106 -5.361 -6.472 40 HB3 LYS 6 3HB LYS 6 0.023 -6.907 -7.307 41 HG2 LYS 6 2HG LYS 6 1.453 -7.908 -5.592 42 HG3 LYS 6 3HG LYS 6 1.519 -6.357 -4.751 43 HD2 LYS 6 2HD LYS 6 -1.204 -6.903 -5.193 44 HD3 LYS 6 3HD LYS 6 -0.483 -8.410 -4.623 45 HE2 LYS 6 2HE LYS 6 0.266 -5.923 -3.196 46 HE3 LYS 6 3HE LYS 6 -1.380 -6.514 -2.969 47 HZ1 LYS 6 1HZ LYS 6 -0.290 -7.627 -1.321 48 HZ2 LYS 6 2HZ LYS 6 1.162 -7.744 -2.180 49 HZ3 LYS 6 3HZ LYS 6 -0.135 -8.760 -2.568 50 H VAL 7 H VAL 7 1.324 -3.658 -8.455 51 HA VAL 7 HA VAL 7 0.149 -4.512 -10.895 52 HB VAL 7 HB VAL 7 1.181 -1.780 -10.121 53 HG11 VAL 7 1HG1 VAL 7 -0.633 -1.154 -11.888 54 HG12 VAL 7 2HG1 VAL 7 0.986 -1.620 -12.412 55 HG13 VAL 7 3HG1 VAL 7 -0.337 -2.785 -12.487 56 HG21 VAL 7 1HG2 VAL 7 -0.911 -3.203 -9.023 57 HG22 VAL 7 2HG2 VAL 7 -0.699 -1.453 -8.960 58 HG23 VAL 7 3HG2 VAL 7 -1.698 -2.175 -10.221 59 H ILE 8 H ILE 8 3.324 -3.172 -10.064 60 HA ILE 8 HA ILE 8 4.273 -3.183 -12.763 61 HB ILE 8 HB ILE 8 5.820 -3.005 -10.174 62 HG12 ILE 8 2HG1 ILE 8 5.626 -0.607 -11.819 63 HG13 ILE 8 3HG1 ILE 8 4.046 -1.179 -11.294 64 HG21 ILE 8 1HG2 ILE 8 7.268 -3.736 -11.950 65 HG22 ILE 8 2HG2 ILE 8 6.657 -2.476 -13.020 66 HG23 ILE 8 3HG2 ILE 8 7.606 -2.041 -11.599 67 HD11 ILE 8 1HD1 ILE 8 6.370 -0.310 -9.618 68 HD12 ILE 8 2HD1 ILE 8 4.725 0.326 -9.648 69 HD13 ILE 8 3HD1 ILE 8 5.044 -1.264 -8.955 70 H SER 9 H SER 9 4.083 -5.514 -10.233 71 HA SER 9 HA SER 9 6.173 -7.221 -11.206 72 HB2 SER 9 2HB SER 9 5.419 -8.799 -9.535 73 HB3 SER 9 3HB SER 9 5.413 -7.185 -8.823 74 HG SER 9 HG SER 9 3.360 -8.908 -9.179 75 H SER 10 H SER 10 3.025 -6.559 -12.202 76 HA SER 10 HA SER 10 2.667 -9.195 -13.434 77 HB2 SER 10 2HB SER 10 0.459 -7.623 -14.095 78 HB3 SER 10 3HB SER 10 0.538 -8.835 -12.817 79 HG SER 10 HG SER 10 0.316 -7.259 -11.463 80 H ALA 11 H ALA 11 2.319 -5.769 -14.373 81 HA ALA 11 HA ALA 11 2.166 -6.102 -17.107 82 HB1 ALA 11 1HB ALA 11 1.779 -3.933 -16.626 83 HB2 ALA 11 2HB ALA 11 2.955 -3.902 -15.312 84 HB3 ALA 11 3HB ALA 11 3.498 -3.768 -16.984 85 H CYS 12 H CYS 12 5.052 -5.881 -15.072 86 HA CYS 12 HA CYS 12 6.988 -5.755 -17.065 87 HB2 CYS 12 2HB CYS 12 6.958 -6.751 -14.247 88 HB3 CYS 12 3HB CYS 12 8.367 -7.089 -15.246 89 HG CYS 12 HG CYS 12 8.628 -4.788 -13.490 90 H LYS 13 H LYS 13 5.079 -8.435 -15.947 91 HA LYS 13 HA LYS 13 6.704 -10.488 -17.095 92 HB2 LYS 13 2HB LYS 13 3.765 -10.718 -16.477 93 HB3 LYS 13 3HB LYS 13 4.977 -11.992 -16.482 94 HG2 LYS 13 2HG LYS 13 4.819 -9.721 -14.510 95 HG3 LYS 13 3HG LYS 13 4.320 -11.389 -14.217 96 HD2 LYS 13 2HD LYS 13 6.899 -11.658 -15.147 97 HD3 LYS 13 3HD LYS 13 6.977 -10.193 -14.165 98 HE2 LYS 13 2HE LYS 13 7.453 -11.960 -12.687 99 HE3 LYS 13 3HE LYS 13 5.777 -11.520 -12.362 100 HZ1 LYS 13 1HZ LYS 13 6.628 -14.020 -12.819 101 HZ2 LYS 13 2HZ LYS 13 6.121 -13.571 -14.369 102 HZ3 LYS 13 3HZ LYS 13 5.039 -13.497 -13.071 103 H THR 14 H THR 14 4.392 -8.281 -18.321 104 HA THR 14 HA THR 14 3.945 -9.890 -20.731 105 HB THR 14 HB THR 14 2.629 -7.328 -19.812 106 HG1 THR 14 HG1 THR 14 2.054 -9.350 -18.736 107 HG21 THR 14 1HG2 THR 14 2.747 -7.396 -22.246 108 HG22 THR 14 2HG2 THR 14 1.091 -7.669 -21.703 109 HG23 THR 14 3HG2 THR 14 2.076 -9.026 -22.248 110 H TYR 15 H TYR 15 5.487 -6.972 -19.595 111 HA TYR 15 HA TYR 15 6.172 -6.159 -22.314 112 HB2 TYR 15 2HB TYR 15 6.437 -4.857 -19.617 113 HB3 TYR 15 3HB TYR 15 7.318 -4.238 -21.009 114 HD1 TYR 15 HD1 TYR 15 6.270 -2.805 -22.539 115 HD2 TYR 15 HD2 TYR 15 3.895 -5.016 -19.788 116 HE1 TYR 15 HE1 TYR 15 4.288 -1.522 -23.229 117 HE2 TYR 15 HE2 TYR 15 1.906 -3.741 -20.471 118 HH TYR 15 HH TYR 15 1.122 -2.083 -21.720 119 H CYS 16 H CYS 16 7.937 -6.620 -19.246 120 HA CYS 16 HA CYS 16 10.463 -6.836 -20.560 121 HB2 CYS 16 2HB CYS 16 9.822 -7.723 -17.746 122 HB3 CYS 16 3HB CYS 16 11.382 -7.222 -18.388 123 HG CYS 16 HG CYS 16 9.027 -4.864 -18.634 124 H GLY 17 H GLY 17 7.969 -9.066 -19.668 125 HA2 GLY 17 2HA GLY 17 7.711 -11.288 -20.226 126 HA3 GLY 17 3HA GLY 17 9.209 -11.180 -21.138 127 H LYS 18 H LYS 18 10.684 -12.566 -20.456 128 HA LYS 18 HA LYS 18 10.579 -13.573 -17.726 129 HB2 LYS 18 2HB LYS 18 12.207 -15.231 -18.487 130 HB3 LYS 18 3HB LYS 18 10.819 -15.176 -19.566 131 HG2 LYS 18 2HG LYS 18 13.046 -13.428 -20.334 132 HG3 LYS 18 3HG LYS 18 13.401 -15.157 -20.374 133 HD2 LYS 18 2HD LYS 18 10.833 -14.287 -21.567 134 HD3 LYS 18 3HD LYS 18 12.306 -13.846 -22.435 135 HE2 LYS 18 2HE LYS 18 11.637 -15.930 -23.316 136 HE3 LYS 18 3HE LYS 18 12.987 -16.276 -22.237 137 HZ1 LYS 18 1HZ LYS 18 11.082 -17.821 -22.009 138 HZ2 LYS 18 2HZ LYS 18 10.137 -16.533 -21.453 139 HZ3 LYS 18 3HZ LYS 18 11.488 -17.035 -20.567 140 H THR 19 H THR 19 11.284 -10.959 -17.679 141 HA THR 19 HA THR 19 13.981 -11.103 -16.612 142 HB THR 19 HB THR 19 13.998 -8.662 -18.007 143 HG1 THR 19 HG1 THR 19 13.836 -9.597 -20.207 144 HG21 THR 19 1HG2 THR 19 15.767 -10.018 -19.390 145 HG22 THR 19 2HG2 THR 19 15.468 -11.257 -18.172 146 HG23 THR 19 3HG2 THR 19 16.050 -9.665 -17.686 147 H SER 20 H SER 20 11.072 -10.551 -15.842 148 HA SER 20 HA SER 20 10.798 -7.870 -15.071 149 HB2 SER 20 2HB SER 20 9.263 -9.002 -13.240 150 HB3 SER 20 3HB SER 20 8.795 -9.017 -14.941 151 HG SER 20 HG SER 20 10.164 -11.104 -13.586 152 HA PRO 21 HA PRO 21 13.350 -7.337 -11.543 153 HB2 PRO 21 2HB PRO 21 11.782 -5.833 -9.915 154 HB3 PRO 21 3HB PRO 21 12.523 -5.199 -11.389 155 HG2 PRO 21 2HG PRO 21 9.727 -6.172 -10.942 156 HG3 PRO 21 3HG PRO 21 10.286 -4.743 -11.831 157 HD2 PRO 21 2HD PRO 21 9.558 -7.038 -13.070 158 HD3 PRO 21 3HD PRO 21 10.820 -5.966 -13.710 159 H SER 22 H SER 22 13.388 -7.541 -9.099 160 HA SER 22 HA SER 22 11.910 -9.962 -8.353 161 HB2 SER 22 2HB SER 22 14.576 -9.462 -8.195 162 HB3 SER 22 3HB SER 22 14.062 -8.990 -6.575 163 HG SER 22 HG SER 22 13.174 -11.420 -7.671 164 H LYS 23 H LYS 23 10.874 -10.141 -6.338 165 HA LYS 23 HA LYS 23 9.311 -8.015 -5.532 166 HB2 LYS 23 2HB LYS 23 9.225 -10.586 -4.966 167 HB3 LYS 23 3HB LYS 23 10.094 -10.087 -3.522 168 HG2 LYS 23 2HG LYS 23 8.315 -8.826 -2.731 169 HG3 LYS 23 3HG LYS 23 7.559 -8.716 -4.322 170 HD2 LYS 23 2HD LYS 23 7.122 -11.163 -4.217 171 HD3 LYS 23 3HD LYS 23 7.749 -11.164 -2.567 172 HE2 LYS 23 2HE LYS 23 5.929 -10.066 -1.729 173 HE3 LYS 23 3HE LYS 23 5.610 -9.216 -3.240 174 HZ1 LYS 23 1HZ LYS 23 4.308 -11.445 -2.292 175 HZ2 LYS 23 2HZ LYS 23 5.276 -12.019 -3.555 176 HZ3 LYS 23 3HZ LYS 23 4.169 -10.772 -3.839 177 H LYS 24 H LYS 24 12.437 -9.064 -4.270 178 HA LYS 24 HA LYS 24 12.488 -7.190 -2.118 179 HB2 LYS 24 2HB LYS 24 13.823 -9.185 -1.956 180 HB3 LYS 24 3HB LYS 24 14.666 -8.803 -3.452 181 HG2 LYS 24 2HG LYS 24 16.106 -8.325 -1.601 182 HG3 LYS 24 3HG LYS 24 15.622 -6.803 -2.353 183 HD2 LYS 24 2HD LYS 24 15.443 -6.442 -0.031 184 HD3 LYS 24 3HD LYS 24 13.789 -6.692 -0.595 185 HE2 LYS 24 2HE LYS 24 14.591 -9.238 0.004 186 HE3 LYS 24 3HE LYS 24 15.422 -8.289 1.236 187 HZ1 LYS 24 1HZ LYS 24 12.724 -7.443 0.922 188 HZ2 LYS 24 2HZ LYS 24 13.525 -7.972 2.314 189 HZ3 LYS 24 3HZ LYS 24 12.799 -9.096 1.279 190 H GLU 25 H GLU 25 13.500 -7.144 -5.464 191 HA GLU 25 HA GLU 25 15.099 -4.789 -5.271 192 HB2 GLU 25 2HB GLU 25 14.110 -6.550 -7.419 193 HB3 GLU 25 3HB GLU 25 14.366 -4.876 -7.891 194 HG2 GLU 25 2HG GLU 25 16.670 -4.997 -7.100 195 HG3 GLU 25 3HG GLU 25 16.416 -6.672 -6.614 196 H ILE 26 H ILE 26 11.808 -5.406 -6.478 197 HA ILE 26 HA ILE 26 11.120 -2.835 -7.223 198 HB ILE 26 HB ILE 26 9.313 -4.892 -5.945 199 HG12 ILE 26 2HG1 ILE 26 9.795 -4.327 -8.876 200 HG13 ILE 26 3HG1 ILE 26 10.573 -5.633 -7.989 201 HG21 ILE 26 1HG2 ILE 26 8.117 -2.890 -5.878 202 HG22 ILE 26 2HG2 ILE 26 8.767 -2.341 -7.421 203 HG23 ILE 26 3HG2 ILE 26 7.585 -3.648 -7.378 204 HD11 ILE 26 1HD1 ILE 26 8.227 -5.814 -9.376 205 HD12 ILE 26 2HD1 ILE 26 8.775 -6.935 -8.129 206 HD13 ILE 26 3HD1 ILE 26 7.676 -5.620 -7.713 207 H GLY 27 H GLY 27 10.951 -4.333 -4.016 208 HA2 GLY 27 2HA GLY 27 9.771 -2.031 -2.777 209 HA3 GLY 27 3HA GLY 27 10.441 -3.431 -1.952 210 H ALA 28 H ALA 28 12.944 -2.824 -3.718 211 HA ALA 28 HA ALA 28 14.178 -1.096 -1.717 212 HB1 ALA 28 1HB ALA 28 16.293 -1.778 -3.033 213 HB2 ALA 28 2HB ALA 28 15.484 -2.987 -2.035 214 HB3 ALA 28 3HB ALA 28 15.244 -2.982 -3.782 215 H MET 29 H MET 29 12.658 -0.685 -4.611 216 HA MET 29 HA MET 29 14.382 1.566 -5.402 217 HB2 MET 29 2HB MET 29 14.018 -0.141 -7.142 218 HB3 MET 29 3HB MET 29 12.282 0.113 -7.022 219 HG2 MET 29 2HG MET 29 13.971 2.478 -7.586 220 HG3 MET 29 3HG MET 29 13.777 1.286 -8.869 221 HE1 MET 29 1HE MET 29 11.101 1.179 -10.324 222 HE2 MET 29 2HE MET 29 11.453 0.106 -8.969 223 HE3 MET 29 3HE MET 29 9.924 0.984 -9.024 224 H LEU 30 H LEU 30 10.987 0.620 -4.961 225 HA LEU 30 HA LEU 30 9.739 3.023 -5.460 226 HB2 LEU 30 2HB LEU 30 9.149 0.709 -3.693 227 HB3 LEU 30 3HB LEU 30 8.192 2.173 -3.480 228 HG LEU 30 HG LEU 30 8.432 0.585 -6.035 229 HD11 LEU 30 1HD1 LEU 30 7.040 -0.159 -3.852 230 HD12 LEU 30 2HD1 LEU 30 6.537 -0.508 -5.506 231 HD13 LEU 30 3HD1 LEU 30 5.851 0.872 -4.649 232 HD21 LEU 30 1HD2 LEU 30 6.234 2.227 -6.212 233 HD22 LEU 30 2HD2 LEU 30 7.795 2.501 -6.988 234 HD23 LEU 30 3HD2 LEU 30 7.438 3.256 -5.434 235 H SER 31 H SER 31 10.543 1.879 -2.176 236 HA SER 31 HA SER 31 10.103 4.282 -0.865 237 HB2 SER 31 2HB SER 31 10.352 2.539 0.620 238 HB3 SER 31 3HB SER 31 11.709 1.839 -0.263 239 HG SER 31 HG SER 31 12.036 3.050 1.868 240 H LEU 32 H LEU 32 12.813 3.255 -2.774 241 HA LEU 32 HA LEU 32 14.766 5.039 -1.833 242 HB2 LEU 32 2HB LEU 32 14.828 3.036 -3.562 243 HB3 LEU 32 3HB LEU 32 14.658 4.350 -4.723 244 HG LEU 32 HG LEU 32 16.999 3.644 -4.384 245 HD11 LEU 32 1HD1 LEU 32 16.632 6.417 -3.298 246 HD12 LEU 32 2HD1 LEU 32 16.257 6.010 -4.972 247 HD13 LEU 32 3HD1 LEU 32 17.899 5.806 -4.362 248 HD21 LEU 32 1HD2 LEU 32 16.252 3.712 -1.656 249 HD22 LEU 32 2HD2 LEU 32 17.508 4.926 -1.894 250 HD23 LEU 32 3HD2 LEU 32 17.803 3.249 -2.356 251 H LEU 33 H LEU 33 12.647 5.335 -4.688 252 HA LEU 33 HA LEU 33 13.382 7.941 -5.373 253 HB2 LEU 33 2HB LEU 33 10.621 6.835 -5.780 254 HB3 LEU 33 3HB LEU 33 11.505 7.974 -6.793 255 HG LEU 33 HG LEU 33 11.989 5.012 -6.521 256 HD11 LEU 33 1HD1 LEU 33 10.163 5.448 -7.970 257 HD12 LEU 33 2HD1 LEU 33 11.560 5.120 -8.994 258 HD13 LEU 33 3HD1 LEU 33 11.015 6.779 -8.753 259 HD21 LEU 33 1HD2 LEU 33 14.120 6.219 -6.647 260 HD22 LEU 33 2HD2 LEU 33 13.561 7.046 -8.101 261 HD23 LEU 33 3HD2 LEU 33 13.801 5.298 -8.116 262 H GLN 34 H GLN 34 11.374 6.769 -2.835 263 HA GLN 34 HA GLN 34 9.904 9.196 -2.426 264 HB2 GLN 34 2HB GLN 34 10.241 6.638 -0.905 265 HB3 GLN 34 3HB GLN 34 9.499 8.026 -0.121 266 HG2 GLN 34 2HG GLN 34 7.849 8.114 -1.976 267 HG3 GLN 34 3HG GLN 34 8.543 6.619 -2.600 268 HE21 GLN 34 1HE2 GLN 34 6.093 7.840 -0.826 269 HE22 GLN 34 2HE2 GLN 34 5.705 6.461 0.140 270 H LYS 35 H LYS 35 12.571 7.600 -0.688 271 HA LYS 35 HA LYS 35 12.977 9.723 1.143 272 HB2 LYS 35 2HB LYS 35 14.798 7.480 0.258 273 HB3 LYS 35 3HB LYS 35 15.173 8.588 1.571 274 HG2 LYS 35 2HG LYS 35 13.751 7.588 3.002 275 HG3 LYS 35 3HG LYS 35 12.564 7.234 1.745 276 HD2 LYS 35 2HD LYS 35 13.481 5.164 2.570 277 HD3 LYS 35 3HD LYS 35 14.047 5.426 0.919 278 HE2 LYS 35 2HE LYS 35 16.161 5.331 1.594 279 HE3 LYS 35 3HE LYS 35 15.881 6.635 2.747 280 HZ1 LYS 35 1HZ LYS 35 15.028 3.899 3.409 281 HZ2 LYS 35 2HZ LYS 35 15.462 5.164 4.444 282 HZ3 LYS 35 3HZ LYS 35 16.655 4.329 3.583 283 H GLU 36 H GLU 36 14.444 8.892 -1.961 284 HA GLU 36 HA GLU 36 16.524 10.749 -1.970 285 HB2 GLU 36 2HB GLU 36 15.177 9.064 -3.905 286 HB3 GLU 36 3HB GLU 36 15.623 10.610 -4.613 287 HG2 GLU 36 2HG GLU 36 17.575 8.928 -3.077 288 HG3 GLU 36 3HG GLU 36 17.300 8.722 -4.806 289 H GLY 37 H GLY 37 13.122 11.200 -2.310 290 HA2 GLY 37 2HA GLY 37 12.066 13.298 -2.055 291 HA3 GLY 37 3HA GLY 37 13.557 14.083 -2.555 292 H LEU 38 H LEU 38 12.195 11.410 -4.338 293 HA LEU 38 HA LEU 38 11.860 13.168 -6.640 294 HB2 LEU 38 2HB LEU 38 11.675 10.165 -6.451 295 HB3 LEU 38 3HB LEU 38 11.669 11.114 -7.936 296 HG LEU 38 HG LEU 38 14.005 11.157 -6.048 297 HD11 LEU 38 1HD1 LEU 38 14.588 9.522 -8.267 298 HD12 LEU 38 2HD1 LEU 38 13.085 8.922 -7.566 299 HD13 LEU 38 3HD1 LEU 38 14.528 9.068 -6.563 300 HD21 LEU 38 1HD2 LEU 38 13.370 12.177 -8.739 301 HD22 LEU 38 2HD2 LEU 38 14.974 11.469 -8.541 302 HD23 LEU 38 3HD2 LEU 38 14.467 12.809 -7.512 303 H LEU 39 H LEU 39 9.993 10.472 -5.227 304 HA LEU 39 HA LEU 39 7.538 11.914 -5.987 305 HB2 LEU 39 2HB LEU 39 6.572 9.489 -5.866 306 HB3 LEU 39 3HB LEU 39 7.403 10.058 -7.313 307 HG LEU 39 HG LEU 39 9.473 8.915 -6.434 308 HD11 LEU 39 1HD1 LEU 39 7.481 8.034 -4.388 309 HD12 LEU 39 2HD1 LEU 39 9.145 8.577 -4.173 310 HD13 LEU 39 3HD1 LEU 39 8.819 6.978 -4.842 311 HD21 LEU 39 1HD2 LEU 39 7.636 8.018 -8.088 312 HD22 LEU 39 2HD2 LEU 39 7.334 6.871 -6.782 313 HD23 LEU 39 3HD2 LEU 39 8.935 6.970 -7.518 314 H MET 40 H MET 40 5.668 11.545 -4.605 315 HA MET 40 HA MET 40 6.455 11.486 -1.806 316 HB2 MET 40 2HB MET 40 3.892 12.226 -3.212 317 HB3 MET 40 3HB MET 40 4.021 12.142 -1.461 318 HG2 MET 40 2HG MET 40 6.175 13.713 -2.305 319 HG3 MET 40 3HG MET 40 4.786 14.247 -3.249 320 HE1 MET 40 1HE MET 40 5.101 12.989 0.635 321 HE2 MET 40 2HE MET 40 6.507 13.890 0.066 322 HE3 MET 40 3HE MET 40 5.425 14.606 1.262 323 H SER 41 H SER 41 4.885 9.483 -4.134 324 HA SER 41 HA SER 41 4.552 7.408 -2.109 325 HB2 SER 41 2HB SER 41 2.350 8.798 -3.442 326 HB3 SER 41 3HB SER 41 2.281 7.047 -3.644 327 HG SER 41 HG SER 41 1.424 8.304 -1.602 328 HA PRO 42 HA PRO 42 6.006 4.681 -5.221 329 HB2 PRO 42 2HB PRO 42 4.587 2.419 -4.731 330 HB3 PRO 42 3HB PRO 42 5.878 2.992 -3.669 331 HG2 PRO 42 2HG PRO 42 2.915 3.301 -3.383 332 HG3 PRO 42 3HG PRO 42 4.121 2.889 -2.150 333 HD2 PRO 42 2HD PRO 42 3.102 5.384 -2.415 334 HD3 PRO 42 3HD PRO 42 4.763 5.084 -1.865 335 H SER 43 H SER 43 2.682 5.538 -5.128 336 HA SER 43 HA SER 43 1.926 4.123 -7.520 337 HB2 SER 43 2HB SER 43 0.015 6.087 -7.125 338 HB3 SER 43 3HB SER 43 -0.050 4.443 -6.488 339 HG SER 43 HG SER 43 0.565 5.146 -4.551 340 H ASP 44 H ASP 44 3.703 6.880 -6.905 341 HA ASP 44 HA ASP 44 2.839 8.626 -8.943 342 HB2 ASP 44 2HB ASP 44 4.607 8.859 -6.928 343 HB3 ASP 44 3HB ASP 44 5.726 8.581 -8.259 344 H LEU 45 H LEU 45 4.441 5.641 -9.088 345 HA LEU 45 HA LEU 45 6.101 5.939 -11.315 346 HB2 LEU 45 2HB LEU 45 4.923 3.760 -9.807 347 HB3 LEU 45 3HB LEU 45 5.046 3.382 -11.524 348 HG LEU 45 HG LEU 45 7.494 4.023 -11.345 349 HD11 LEU 45 1HD1 LEU 45 7.946 5.124 -9.432 350 HD12 LEU 45 2HD1 LEU 45 8.152 3.494 -8.793 351 HD13 LEU 45 3HD1 LEU 45 6.631 4.352 -8.547 352 HD21 LEU 45 1HD2 LEU 45 8.132 1.852 -10.593 353 HD22 LEU 45 2HD2 LEU 45 6.586 1.693 -11.428 354 HD23 LEU 45 3HD2 LEU 45 6.644 1.673 -9.664 355 H TYR 46 H TYR 46 2.667 5.846 -11.068 356 HA TYR 46 HA TYR 46 2.224 5.154 -13.836 357 HB2 TYR 46 2HB TYR 46 0.232 6.282 -11.864 358 HB3 TYR 46 3HB TYR 46 -0.118 5.410 -13.352 359 HD1 TYR 46 HD1 TYR 46 1.802 3.154 -13.118 360 HD2 TYR 46 HD2 TYR 46 -0.736 4.942 -10.210 361 HE1 TYR 46 HE1 TYR 46 1.753 1.036 -11.868 362 HE2 TYR 46 HE2 TYR 46 -0.791 2.830 -8.951 363 HH TYR 46 HH TYR 46 0.168 0.793 -8.729 364 H SER 47 H SER 47 3.428 7.823 -12.450 365 HA SER 47 HA SER 47 2.048 9.677 -14.273 366 HB2 SER 47 2HB SER 47 3.596 10.180 -11.726 367 HB3 SER 47 3HB SER 47 3.077 11.469 -12.812 368 HG SER 47 HG SER 47 1.378 11.359 -11.532 369 HA PRO 48 HA PRO 48 6.111 9.059 -16.303 370 HB2 PRO 48 2HB PRO 48 5.148 9.460 -18.810 371 HB3 PRO 48 3HB PRO 48 5.070 7.896 -17.989 372 HG2 PRO 48 2HG PRO 48 2.945 9.982 -18.295 373 HG3 PRO 48 3HG PRO 48 2.815 8.221 -18.457 374 HD2 PRO 48 2HD PRO 48 2.041 9.540 -16.222 375 HD3 PRO 48 3HD PRO 48 2.705 7.894 -16.178 376 H GLY 49 H GLY 49 6.192 11.252 -15.012 377 HA2 GLY 49 2HA GLY 49 6.774 13.299 -17.004 378 HA3 GLY 49 3HA GLY 49 5.575 13.719 -15.790 379 H SER 50 H SER 50 7.945 11.587 -14.641 380 HA SER 50 HA SER 50 9.677 13.747 -13.695 381 HB2 SER 50 2HB SER 50 7.898 12.063 -12.011 382 HB3 SER 50 3HB SER 50 9.526 12.360 -11.401 383 HG SER 50 HG SER 50 7.584 13.938 -11.058 384 H TRP 51 H TRP 51 9.549 11.044 -15.332 385 HA TRP 51 HA TRP 51 11.495 9.380 -14.080 386 HB2 TRP 51 2HB TRP 51 10.543 9.493 -16.949 387 HB3 TRP 51 3HB TRP 51 11.576 8.230 -16.284 388 HD1 TRP 51 HD1 TRP 51 9.588 8.475 -13.473 389 HE1 TRP 51 HE1 TRP 51 7.462 7.025 -13.544 390 HE3 TRP 51 HE3 TRP 51 9.348 7.629 -18.510 391 HZ2 TRP 51 HZ2 TRP 51 5.891 5.699 -15.478 392 HZ3 TRP 51 HZ3 TRP 51 7.503 6.259 -19.389 393 HH2 TRP 51 HH2 TRP 51 5.812 5.315 -17.903 394 H ASP 52 H ASP 52 11.639 12.164 -16.125 395 HA ASP 52 HA ASP 52 14.169 11.847 -17.272 396 HB2 ASP 52 2HB ASP 52 12.303 14.063 -16.799 397 HB3 ASP 52 3HB ASP 52 13.993 14.556 -16.856 398 HA PRO 53 HA PRO 53 16.019 14.214 -13.495 399 HB2 PRO 53 2HB PRO 53 14.394 14.638 -11.361 400 HB3 PRO 53 3HB PRO 53 14.530 15.777 -12.706 401 HG2 PRO 53 2HG PRO 53 12.432 13.706 -12.183 402 HG3 PRO 53 3HG PRO 53 12.239 15.377 -12.743 403 HD2 PRO 53 2HD PRO 53 12.144 13.256 -14.424 404 HD3 PRO 53 3HD PRO 53 12.772 14.840 -14.921 405 H ILE 54 H ILE 54 13.636 11.706 -12.877 406 HA ILE 54 HA ILE 54 14.940 10.644 -10.566 407 HB ILE 54 HB ILE 54 12.813 9.532 -12.387 408 HG12 ILE 54 2HG1 ILE 54 12.667 10.316 -9.473 409 HG13 ILE 54 3HG1 ILE 54 12.302 11.428 -10.789 410 HG21 ILE 54 1HG2 ILE 54 13.729 7.548 -11.694 411 HG22 ILE 54 2HG2 ILE 54 14.321 8.224 -10.177 412 HG23 ILE 54 3HG2 ILE 54 12.606 7.863 -10.371 413 HD11 ILE 54 1HD1 ILE 54 10.289 10.529 -11.143 414 HD12 ILE 54 2HD1 ILE 54 10.874 8.879 -10.926 415 HD13 ILE 54 3HD1 ILE 54 10.487 9.870 -9.519 416 H THR 55 H THR 55 14.877 9.793 -14.002 417 HA THR 55 HA THR 55 16.480 7.468 -13.761 418 HB THR 55 HB THR 55 15.984 9.245 -16.157 419 HG1 THR 55 HG1 THR 55 14.343 7.863 -16.588 420 HG21 THR 55 1HG2 THR 55 17.697 8.107 -17.067 421 HG22 THR 55 2HG2 THR 55 16.571 6.751 -17.121 422 HG23 THR 55 3HG2 THR 55 17.704 6.904 -15.778 423 H ALA 56 H ALA 56 17.213 10.858 -14.436 424 HA ALA 56 HA ALA 56 19.963 10.472 -15.008 425 HB1 ALA 56 1HB ALA 56 20.168 12.866 -14.826 426 HB2 ALA 56 2HB ALA 56 18.673 12.475 -15.677 427 HB3 ALA 56 3HB ALA 56 18.621 12.971 -13.985 428 H ALA 57 H ALA 57 18.156 11.012 -12.049 429 HA ALA 57 HA ALA 57 20.395 11.572 -10.391 430 HB1 ALA 57 1HB ALA 57 17.862 10.362 -9.355 431 HB2 ALA 57 2HB ALA 57 18.913 11.566 -8.608 432 HB3 ALA 57 3HB ALA 57 17.883 12.016 -9.968 433 H LEU 58 H LEU 58 18.416 8.629 -10.780 434 HA LEU 58 HA LEU 58 19.996 6.999 -9.122 435 HB2 LEU 58 2HB LEU 58 18.232 6.221 -11.439 436 HB3 LEU 58 3HB LEU 58 18.860 5.116 -10.218 437 HG LEU 58 HG LEU 58 17.129 7.434 -9.435 438 HD11 LEU 58 1HD1 LEU 58 16.328 4.944 -10.827 439 HD12 LEU 58 2HD1 LEU 58 15.588 6.545 -10.844 440 HD13 LEU 58 3HD1 LEU 58 15.338 5.473 -9.466 441 HD21 LEU 58 1HD2 LEU 58 16.686 5.041 -7.978 442 HD22 LEU 58 2HD2 LEU 58 17.401 6.554 -7.418 443 HD23 LEU 58 3HD2 LEU 58 18.428 5.291 -8.099 444 H SER 59 H SER 59 19.919 7.281 -12.673 445 HA SER 59 HA SER 59 21.898 5.458 -13.297 446 HB2 SER 59 2HB SER 59 20.465 6.639 -14.955 447 HB3 SER 59 3HB SER 59 21.419 8.100 -14.698 448 HG SER 59 HG SER 59 22.549 7.268 -16.282 449 H GLN 60 H GLN 60 22.197 8.705 -12.042 450 HA GLN 60 HA GLN 60 24.995 8.967 -12.549 451 HB2 GLN 60 2HB GLN 60 23.749 10.979 -12.303 452 HB3 GLN 60 3HB GLN 60 23.079 10.457 -10.763 453 HG2 GLN 60 2HG GLN 60 24.778 11.323 -9.640 454 HG3 GLN 60 3HG GLN 60 25.957 10.510 -10.669 455 HE21 GLN 60 1HE2 GLN 60 27.131 11.703 -12.010 456 HE22 GLN 60 2HE2 GLN 60 26.849 13.367 -12.383 457 H ARG 61 H ARG 61 23.060 8.079 -9.715 458 HA ARG 61 HA ARG 61 25.019 7.910 -7.793 459 HB2 ARG 61 2HB ARG 61 22.424 7.386 -7.755 460 HB3 ARG 61 3HB ARG 61 22.986 5.728 -7.921 461 HG2 ARG 61 2HG ARG 61 24.428 6.114 -5.907 462 HG3 ARG 61 3HG ARG 61 23.602 7.660 -5.702 463 HD2 ARG 61 2HD ARG 61 21.547 6.634 -5.259 464 HD3 ARG 61 3HD ARG 61 22.071 5.092 -5.937 465 HE ARG 61 HE ARG 61 22.960 4.546 -3.903 466 HH11 ARG 61 1HH1 ARG 61 22.387 7.978 -4.003 467 HH12 ARG 61 2HH1 ARG 61 22.763 8.222 -2.330 468 HH21 ARG 61 1HH2 ARG 61 23.457 4.854 -1.698 469 HH22 ARG 61 2HH2 ARG 61 23.372 6.444 -1.020 470 H ALA 62 H ALA 62 23.999 5.316 -10.013 471 HA ALA 62 HA ALA 62 25.802 3.367 -9.180 472 HB1 ALA 62 1HB ALA 62 24.196 2.521 -10.577 473 HB2 ALA 62 2HB ALA 62 24.309 3.872 -11.706 474 HB3 ALA 62 3HB ALA 62 25.561 2.631 -11.690 475 H MET 63 H MET 63 26.335 6.242 -10.999 476 HA MET 63 HA MET 63 28.884 5.336 -12.062 477 HB2 MET 63 2HB MET 63 27.566 8.054 -12.203 478 HB3 MET 63 3HB MET 63 29.010 7.567 -13.079 479 HG2 MET 63 2HG MET 63 27.824 6.127 -14.476 480 HG3 MET 63 3HG MET 63 26.427 6.093 -13.404 481 HE1 MET 63 1HE MET 63 28.676 8.373 -15.545 482 HE2 MET 63 2HE MET 63 27.636 9.740 -15.947 483 HE3 MET 63 3HE MET 63 28.247 9.549 -14.303 484 H ILE 64 H ILE 64 27.658 7.616 -9.651 485 HA ILE 64 HA ILE 64 29.996 8.873 -8.903 486 HB ILE 64 HB ILE 64 27.725 8.012 -7.108 487 HG12 ILE 64 2HG1 ILE 64 26.961 9.432 -8.922 488 HG13 ILE 64 3HG1 ILE 64 26.964 10.357 -7.424 489 HG21 ILE 64 1HG2 ILE 64 28.924 10.369 -6.161 490 HG22 ILE 64 2HG2 ILE 64 28.927 8.775 -5.407 491 HG23 ILE 64 3HG2 ILE 64 30.237 9.240 -6.492 492 HD11 ILE 64 1HD1 ILE 64 29.090 11.382 -8.081 493 HD12 ILE 64 2HD1 ILE 64 29.040 10.482 -9.597 494 HD13 ILE 64 3HD1 ILE 64 27.805 11.692 -9.249 495 H LEU 65 H LEU 65 28.711 5.775 -7.743 496 HA LEU 65 HA LEU 65 31.298 5.265 -6.434 497 HB2 LEU 65 2HB LEU 65 28.536 4.205 -5.912 498 HB3 LEU 65 3HB LEU 65 29.977 3.432 -5.256 499 HG LEU 65 HG LEU 65 30.024 6.225 -4.621 500 HD11 LEU 65 1HD1 LEU 65 27.472 5.677 -4.933 501 HD12 LEU 65 2HD1 LEU 65 28.037 6.640 -3.569 502 HD13 LEU 65 3HD1 LEU 65 27.667 4.930 -3.347 503 HD21 LEU 65 1HD2 LEU 65 31.219 4.435 -3.444 504 HD22 LEU 65 2HD2 LEU 65 29.678 3.774 -2.896 505 HD23 LEU 65 3HD2 LEU 65 30.197 5.371 -2.353 506 H GLY 66 H GLY 66 28.691 3.336 -7.938 507 HA2 GLY 66 2HA GLY 66 29.741 2.291 -10.123 508 HA3 GLY 66 3HA GLY 66 30.705 1.456 -8.914 509 H LYS 67 H LYS 67 28.188 1.612 -7.143 510 HA LYS 67 HA LYS 67 27.236 -1.000 -7.800 511 HB2 LYS 67 2HB LYS 67 25.966 -0.879 -5.814 512 HB3 LYS 67 3HB LYS 67 27.443 0.013 -5.472 513 HG2 LYS 67 2HG LYS 67 25.684 1.923 -6.462 514 HG3 LYS 67 3HG LYS 67 24.699 0.898 -5.416 515 HD2 LYS 67 2HD LYS 67 27.362 1.775 -4.422 516 HD3 LYS 67 3HD LYS 67 26.056 2.962 -4.464 517 HE2 LYS 67 2HE LYS 67 24.828 0.777 -3.363 518 HE3 LYS 67 3HE LYS 67 26.458 0.662 -2.702 519 HZ1 LYS 67 1HZ LYS 67 25.888 2.206 -1.243 520 HZ2 LYS 67 2HZ LYS 67 24.375 2.418 -1.969 521 HZ3 LYS 67 3HZ LYS 67 25.702 3.321 -2.502 522 H SER 68 H SER 68 24.534 -0.902 -7.250 523 HA SER 68 HA SER 68 23.258 0.968 -9.051 524 HB2 SER 68 2HB SER 68 22.222 -0.897 -10.405 525 HB3 SER 68 3HB SER 68 23.943 -0.641 -10.690 526 HG SER 68 HG SER 68 24.407 -2.485 -9.675 527 H GLY 69 H GLY 69 22.331 -2.303 -8.011 528 HA2 GLY 69 2HA GLY 69 20.555 -3.038 -6.755 529 HA3 GLY 69 3HA GLY 69 20.858 -1.629 -5.750 530 H GLU 70 H GLU 70 19.531 0.132 -5.892 531 HA GLU 70 HA GLU 70 16.910 -0.160 -6.642 532 HB2 GLU 70 2HB GLU 70 16.675 2.228 -6.427 533 HB3 GLU 70 3HB GLU 70 17.807 1.661 -5.207 534 HG2 GLU 70 2HG GLU 70 19.561 2.271 -7.101 535 HG3 GLU 70 3HG GLU 70 18.268 3.369 -7.580 536 H LEU 71 H LEU 71 19.607 0.984 -8.591 537 HA LEU 71 HA LEU 71 18.132 1.915 -10.796 538 HB2 LEU 71 2HB LEU 71 20.890 1.403 -10.140 539 HB3 LEU 71 3HB LEU 71 20.537 0.888 -11.788 540 HG LEU 71 HG LEU 71 20.188 3.655 -10.640 541 HD11 LEU 71 1HD1 LEU 71 22.233 4.057 -11.391 542 HD12 LEU 71 2HD1 LEU 71 21.788 3.486 -12.999 543 HD13 LEU 71 3HD1 LEU 71 22.400 2.349 -11.797 544 HD21 LEU 71 1HD2 LEU 71 19.039 2.362 -13.007 545 HD22 LEU 71 2HD2 LEU 71 19.855 3.892 -13.329 546 HD23 LEU 71 3HD2 LEU 71 18.541 3.823 -12.154 547 H LYS 72 H LYS 72 19.455 -1.271 -10.022 548 HA LYS 72 HA LYS 72 18.963 -2.572 -12.426 549 HB2 LYS 72 2HB LYS 72 19.559 -3.322 -9.700 550 HB3 LYS 72 3HB LYS 72 18.402 -4.441 -10.407 551 HG2 LYS 72 2HG LYS 72 21.061 -3.701 -11.612 552 HG3 LYS 72 3HG LYS 72 20.720 -5.176 -10.704 553 HD2 LYS 72 2HD LYS 72 18.744 -4.946 -12.715 554 HD3 LYS 72 3HD LYS 72 20.306 -4.640 -13.477 555 HE2 LYS 72 2HE LYS 72 20.030 -6.948 -11.610 556 HE3 LYS 72 3HE LYS 72 19.368 -7.084 -13.238 557 HZ1 LYS 72 1HZ LYS 72 22.175 -6.332 -12.635 558 HZ2 LYS 72 2HZ LYS 72 21.515 -6.643 -14.161 559 HZ3 LYS 72 3HZ LYS 72 21.673 -7.897 -13.037 560 H THR 73 H THR 73 16.759 -1.529 -9.970 561 HA THR 73 HA THR 73 14.577 -3.147 -11.033 562 HB THR 73 HB THR 73 14.212 -1.079 -8.893 563 HG1 THR 73 HG1 THR 73 15.005 -2.502 -7.371 564 HG21 THR 73 1HG2 THR 73 12.687 -3.222 -10.036 565 HG22 THR 73 2HG2 THR 73 12.194 -2.022 -8.841 566 HG23 THR 73 3HG2 THR 73 12.944 -3.530 -8.319 567 H TRP 74 H TRP 74 15.575 0.230 -10.783 568 HA TRP 74 HA TRP 74 13.255 1.418 -11.805 569 HB2 TRP 74 2HB TRP 74 15.101 2.660 -10.710 570 HB3 TRP 74 3HB TRP 74 16.109 2.371 -12.125 571 HD1 TRP 74 HD1 TRP 74 16.296 4.567 -13.416 572 HE1 TRP 74 HE1 TRP 74 14.673 6.428 -14.144 573 HE3 TRP 74 HE3 TRP 74 12.039 2.864 -11.154 574 HZ2 TRP 74 HZ2 TRP 74 11.950 7.087 -13.804 575 HZ3 TRP 74 HZ3 TRP 74 9.968 4.168 -11.404 576 HH2 TRP 74 HH2 TRP 74 9.926 6.236 -12.701 577 H GLY 75 H GLY 75 16.183 0.279 -13.469 578 HA2 GLY 75 2HA GLY 75 15.494 1.091 -16.056 579 HA3 GLY 75 3HA GLY 75 16.563 -0.249 -15.669 580 H LEU 76 H LEU 76 14.745 -1.920 -14.345 581 HA LEU 76 HA LEU 76 13.457 -3.126 -16.590 582 HB2 LEU 76 2HB LEU 76 13.822 -3.764 -13.720 583 HB3 LEU 76 3HB LEU 76 12.467 -4.529 -14.547 584 HG LEU 76 HG LEU 76 15.369 -4.752 -15.346 585 HD11 LEU 76 1HD1 LEU 76 13.513 -6.562 -13.835 586 HD12 LEU 76 2HD1 LEU 76 15.130 -6.016 -13.391 587 HD13 LEU 76 3HD1 LEU 76 14.921 -7.179 -14.700 588 HD21 LEU 76 1HD2 LEU 76 12.835 -5.882 -16.505 589 HD22 LEU 76 2HD2 LEU 76 14.420 -6.597 -16.805 590 HD23 LEU 76 3HD2 LEU 76 14.088 -4.941 -17.315 591 H VAL 77 H VAL 77 12.210 -1.773 -13.534 592 HA VAL 77 HA VAL 77 9.506 -2.027 -14.019 593 HB VAL 77 HB VAL 77 10.920 0.214 -12.570 594 HG11 VAL 77 1HG1 VAL 77 8.147 -0.132 -13.234 595 HG12 VAL 77 2HG1 VAL 77 8.371 -0.197 -11.485 596 HG13 VAL 77 3HG1 VAL 77 8.938 1.203 -12.396 597 HG21 VAL 77 1HG2 VAL 77 9.494 -1.778 -11.000 598 HG22 VAL 77 2HG2 VAL 77 10.811 -2.468 -11.950 599 HG23 VAL 77 3HG2 VAL 77 11.134 -1.155 -10.817 600 H LEU 78 H LEU 78 11.669 0.613 -14.983 601 HA LEU 78 HA LEU 78 9.659 2.221 -16.160 602 HB2 LEU 78 2HB LEU 78 12.088 2.796 -15.451 603 HB3 LEU 78 3HB LEU 78 12.509 2.241 -17.069 604 HG LEU 78 HG LEU 78 11.073 3.970 -18.037 605 HD11 LEU 78 1HD1 LEU 78 10.685 5.650 -15.782 606 HD12 LEU 78 2HD1 LEU 78 10.001 4.067 -15.416 607 HD13 LEU 78 3HD1 LEU 78 9.475 4.943 -16.853 608 HD21 LEU 78 1HD2 LEU 78 13.386 4.532 -16.316 609 HD22 LEU 78 2HD2 LEU 78 12.413 5.940 -16.741 610 HD23 LEU 78 3HD2 LEU 78 13.104 4.930 -18.011 611 H GLY 79 H GLY 79 11.825 -0.263 -17.439 612 HA2 GLY 79 2HA GLY 79 11.383 0.049 -20.157 613 HA3 GLY 79 3HA GLY 79 11.729 -1.488 -19.378 614 H ALA 80 H ALA 80 9.238 -1.209 -17.732 615 HA ALA 80 HA ALA 80 7.466 -2.445 -19.660 616 HB1 ALA 80 1HB ALA 80 7.638 -3.540 -17.552 617 HB2 ALA 80 2HB ALA 80 7.268 -2.050 -16.681 618 HB3 ALA 80 3HB ALA 80 6.023 -2.838 -17.650 619 H LEU 81 H LEU 81 7.046 0.131 -17.221 620 HA LEU 81 HA LEU 81 4.605 1.083 -18.139 621 HB2 LEU 81 2HB LEU 81 6.787 2.755 -16.909 622 HB3 LEU 81 3HB LEU 81 5.056 3.087 -16.894 623 HG LEU 81 HG LEU 81 6.042 0.584 -15.611 624 HD11 LEU 81 1HD1 LEU 81 6.142 3.285 -14.278 625 HD12 LEU 81 2HD1 LEU 81 7.551 2.371 -14.814 626 HD13 LEU 81 3HD1 LEU 81 6.513 1.725 -13.543 627 HD21 LEU 81 1HD2 LEU 81 3.586 1.737 -15.915 628 HD22 LEU 81 2HD2 LEU 81 4.053 2.288 -14.306 629 HD23 LEU 81 3HD2 LEU 81 4.010 0.563 -14.670 630 H LYS 82 H LYS 82 7.868 2.280 -18.916 631 HA LYS 82 HA LYS 82 7.182 4.328 -20.641 632 HB2 LYS 82 2HB LYS 82 9.510 3.462 -19.768 633 HB3 LYS 82 3HB LYS 82 9.525 2.584 -21.292 634 HG2 LYS 82 2HG LYS 82 9.725 4.479 -22.546 635 HG3 LYS 82 3HG LYS 82 8.908 5.489 -21.351 636 HD2 LYS 82 2HD LYS 82 11.204 4.579 -20.064 637 HD3 LYS 82 3HD LYS 82 11.730 4.961 -21.705 638 HE2 LYS 82 2HE LYS 82 9.950 6.941 -20.448 639 HE3 LYS 82 3HE LYS 82 11.538 6.771 -19.702 640 HZ1 LYS 82 1HZ LYS 82 11.059 8.354 -21.777 641 HZ2 LYS 82 2HZ LYS 82 11.505 6.947 -22.602 642 HZ3 LYS 82 3HZ LYS 82 12.567 7.646 -21.485 643 H ALA 83 H ALA 83 8.022 0.986 -21.575 644 HA ALA 83 HA ALA 83 7.447 1.206 -24.284 645 HB1 ALA 83 1HB ALA 83 7.045 -1.302 -24.138 646 HB2 ALA 83 2HB ALA 83 8.613 -0.710 -23.588 647 HB3 ALA 83 3HB ALA 83 7.371 -1.141 -22.412 648 H ALA 84 H ALA 84 5.309 0.854 -21.562 649 HA ALA 84 HA ALA 84 3.016 0.004 -23.024 650 HB1 ALA 84 1HB ALA 84 3.437 -0.219 -20.519 651 HB2 ALA 84 2HB ALA 84 2.933 1.468 -20.404 652 HB3 ALA 84 3HB ALA 84 1.815 0.254 -21.027 653 H ARG 85 H ARG 85 4.521 3.063 -22.450 654 HA ARG 85 HA ARG 85 2.181 4.623 -23.099 655 HB2 ARG 85 2HB ARG 85 5.018 5.211 -22.393 656 HB3 ARG 85 3HB ARG 85 4.106 6.444 -23.253 657 HG2 ARG 85 2HG ARG 85 2.776 6.897 -21.481 658 HG3 ARG 85 3HG ARG 85 2.799 5.231 -20.898 659 HD2 ARG 85 2HD ARG 85 3.988 6.954 -19.465 660 HD3 ARG 85 3HD ARG 85 4.903 5.506 -19.881 661 HE ARG 85 HE ARG 85 6.396 6.839 -20.970 662 HH11 ARG 85 1HH1 ARG 85 3.385 8.561 -20.674 663 HH12 ARG 85 2HH1 ARG 85 4.010 10.032 -21.344 664 HH21 ARG 85 1HH2 ARG 85 7.230 8.769 -21.853 665 HH22 ARG 85 2HH2 ARG 85 6.197 10.149 -22.015 666 H GLU 86 H GLU 86 4.995 3.370 -24.748 667 HA GLU 86 HA GLU 86 4.839 4.976 -27.067 668 HB2 GLU 86 2HB GLU 86 6.437 2.816 -26.125 669 HB3 GLU 86 3HB GLU 86 5.858 2.396 -27.731 670 HG2 GLU 86 2HG GLU 86 7.363 4.890 -26.973 671 HG3 GLU 86 3HG GLU 86 8.001 3.505 -27.858 672 H GLU 87 H GLU 87 3.933 1.542 -26.693 673 HA GLU 87 HA GLU 87 1.961 1.928 -28.843 674 HB2 GLU 87 2HB GLU 87 2.076 -0.566 -29.081 675 HB3 GLU 87 3HB GLU 87 3.570 0.275 -29.469 676 HG2 GLU 87 2HG GLU 87 4.701 -0.670 -27.777 677 HG3 GLU 87 3HG GLU 87 3.321 -0.612 -26.681 Start of MODEL 12 1 H1 SER 1 H SER 1 2.049 -1.970 1.579 2 HA SER 1 HA SER 1 1.652 0.023 -0.495 3 HB2 SER 1 2HB SER 1 4.062 0.445 -0.785 4 HB3 SER 1 3HB SER 1 3.508 0.970 0.804 5 HG SER 1 HG SER 1 4.292 -1.101 1.582 6 H GLU 2 H GLU 2 1.024 -2.782 -0.173 7 HA GLU 2 HA GLU 2 2.873 -4.124 -1.995 8 HB2 GLU 2 2HB GLU 2 1.609 -6.158 -1.468 9 HB3 GLU 2 3HB GLU 2 2.170 -5.357 -0.007 10 HG2 GLU 2 2HG GLU 2 -0.380 -4.316 -0.539 11 HG3 GLU 2 3HG GLU 2 -0.491 -6.058 -0.784 12 H ALA 3 H ALA 3 -0.278 -2.690 -1.913 13 HA ALA 3 HA ALA 3 -1.388 -3.957 -4.186 14 HB1 ALA 3 1HB ALA 3 -2.716 -2.731 -2.508 15 HB2 ALA 3 2HB ALA 3 -2.021 -1.219 -3.094 16 HB3 ALA 3 3HB ALA 3 -3.038 -2.192 -4.157 17 H VAL 4 H VAL 4 0.942 -1.443 -3.804 18 HA VAL 4 HA VAL 4 0.623 -0.452 -6.517 19 HB VAL 4 HB VAL 4 1.202 1.100 -4.671 20 HG11 VAL 4 1HG1 VAL 4 2.684 -0.556 -3.490 21 HG12 VAL 4 2HG1 VAL 4 3.922 -0.190 -4.693 22 HG13 VAL 4 3HG1 VAL 4 3.330 1.080 -3.621 23 HG21 VAL 4 1HG2 VAL 4 1.908 1.311 -7.176 24 HG22 VAL 4 2HG2 VAL 4 2.542 2.443 -5.981 25 HG23 VAL 4 3HG2 VAL 4 3.536 1.094 -6.533 26 H ILE 5 H ILE 5 2.724 -2.570 -4.693 27 HA ILE 5 HA ILE 5 4.748 -2.759 -6.711 28 HB ILE 5 HB ILE 5 4.182 -4.598 -4.382 29 HG12 ILE 5 2HG1 ILE 5 6.264 -2.419 -4.615 30 HG13 ILE 5 3HG1 ILE 5 4.705 -2.193 -3.828 31 HG21 ILE 5 1HG2 ILE 5 6.889 -4.678 -5.041 32 HG22 ILE 5 2HG2 ILE 5 5.690 -5.942 -5.307 33 HG23 ILE 5 3HG2 ILE 5 6.036 -4.772 -6.581 34 HD11 ILE 5 1HD1 ILE 5 5.583 -4.393 -2.546 35 HD12 ILE 5 2HD1 ILE 5 7.112 -3.585 -2.895 36 HD13 ILE 5 3HD1 ILE 5 5.855 -2.743 -1.988 37 H LYS 6 H LYS 6 1.778 -4.429 -5.989 38 HA LYS 6 HA LYS 6 2.263 -6.747 -7.554 39 HB2 LYS 6 2HB LYS 6 0.070 -7.346 -7.097 40 HB3 LYS 6 3HB LYS 6 0.455 -6.303 -5.734 41 HG2 LYS 6 2HG LYS 6 -0.579 -4.420 -7.126 42 HG3 LYS 6 3HG LYS 6 -1.251 -5.712 -8.124 43 HD2 LYS 6 2HD LYS 6 -2.544 -6.554 -6.364 44 HD3 LYS 6 3HD LYS 6 -1.598 -5.700 -5.142 45 HE2 LYS 6 2HE LYS 6 -3.122 -4.083 -5.190 46 HE3 LYS 6 3HE LYS 6 -2.605 -3.714 -6.835 47 HZ1 LYS 6 1HZ LYS 6 -4.320 -5.921 -6.931 48 HZ2 LYS 6 2HZ LYS 6 -4.575 -4.371 -7.557 49 HZ3 LYS 6 3HZ LYS 6 -5.066 -4.737 -5.980 50 H VAL 7 H VAL 7 0.985 -3.561 -8.254 51 HA VAL 7 HA VAL 7 -0.135 -4.111 -10.778 52 HB VAL 7 HB VAL 7 1.056 -1.527 -9.760 53 HG11 VAL 7 1HG1 VAL 7 -0.692 -2.130 -12.135 54 HG12 VAL 7 2HG1 VAL 7 -0.491 -0.510 -11.465 55 HG13 VAL 7 3HG1 VAL 7 0.900 -1.372 -12.125 56 HG21 VAL 7 1HG2 VAL 7 -0.779 -1.249 -8.534 57 HG22 VAL 7 2HG2 VAL 7 -1.822 -1.641 -9.901 58 HG23 VAL 7 3HG2 VAL 7 -1.189 -2.930 -8.877 59 H ILE 8 H ILE 8 3.101 -3.006 -9.830 60 HA ILE 8 HA ILE 8 4.065 -2.893 -12.525 61 HB ILE 8 HB ILE 8 5.605 -2.917 -9.927 62 HG12 ILE 8 2HG1 ILE 8 5.512 -0.420 -11.415 63 HG13 ILE 8 3HG1 ILE 8 3.903 -0.965 -10.955 64 HG21 ILE 8 1HG2 ILE 8 7.452 -1.999 -11.245 65 HG22 ILE 8 2HG2 ILE 8 6.987 -3.604 -11.809 66 HG23 ILE 8 3HG2 ILE 8 6.489 -2.173 -12.712 67 HD11 ILE 8 1HD1 ILE 8 4.655 0.440 -9.226 68 HD12 ILE 8 2HD1 ILE 8 4.797 -1.208 -8.611 69 HD13 ILE 8 3HD1 ILE 8 6.232 -0.347 -9.168 70 H SER 9 H SER 9 3.870 -5.322 -10.059 71 HA SER 9 HA SER 9 5.833 -7.062 -11.249 72 HB2 SER 9 2HB SER 9 5.438 -8.509 -9.460 73 HB3 SER 9 3HB SER 9 5.084 -6.932 -8.755 74 HG SER 9 HG SER 9 3.407 -8.291 -8.233 75 H SER 10 H SER 10 2.820 -6.173 -12.179 76 HA SER 10 HA SER 10 2.243 -8.800 -13.384 77 HB2 SER 10 2HB SER 10 0.505 -7.941 -11.798 78 HB3 SER 10 3HB SER 10 0.271 -6.562 -12.871 79 HG SER 10 HG SER 10 -1.206 -8.361 -13.195 80 H ALA 11 H ALA 11 2.967 -5.497 -13.952 81 HA ALA 11 HA ALA 11 2.175 -5.672 -16.768 82 HB1 ALA 11 1HB ALA 11 3.218 -3.168 -16.451 83 HB2 ALA 11 2HB ALA 11 1.513 -3.588 -16.288 84 HB3 ALA 11 3HB ALA 11 2.538 -3.490 -14.856 85 H CYS 12 H CYS 12 4.855 -6.189 -14.820 86 HA CYS 12 HA CYS 12 6.801 -5.407 -16.846 87 HB2 CYS 12 2HB CYS 12 6.956 -6.264 -13.985 88 HB3 CYS 12 3HB CYS 12 8.373 -6.462 -15.008 89 HG CYS 12 HG CYS 12 9.209 -4.115 -14.390 90 H LYS 13 H LYS 13 5.478 -8.291 -15.320 91 HA LYS 13 HA LYS 13 7.246 -10.142 -16.539 92 HB2 LYS 13 2HB LYS 13 4.428 -10.738 -15.649 93 HB3 LYS 13 3HB LYS 13 5.795 -11.842 -15.721 94 HG2 LYS 13 2HG LYS 13 5.494 -9.517 -13.831 95 HG3 LYS 13 3HG LYS 13 5.291 -11.223 -13.429 96 HD2 LYS 13 2HD LYS 13 7.808 -10.959 -14.683 97 HD3 LYS 13 3HD LYS 13 7.684 -9.662 -13.492 98 HE2 LYS 13 2HE LYS 13 7.077 -12.551 -12.890 99 HE3 LYS 13 3HE LYS 13 8.659 -11.814 -12.639 100 HZ1 LYS 13 1HZ LYS 13 7.803 -10.389 -11.005 101 HZ2 LYS 13 2HZ LYS 13 7.132 -11.901 -10.654 102 HZ3 LYS 13 3HZ LYS 13 6.196 -10.718 -11.418 103 H THR 14 H THR 14 4.788 -8.248 -17.817 104 HA THR 14 HA THR 14 4.320 -10.115 -20.043 105 HB THR 14 HB THR 14 2.731 -7.698 -19.167 106 HG1 THR 14 HG1 THR 14 2.006 -10.452 -19.290 107 HG21 THR 14 1HG2 THR 14 2.037 -7.561 -21.288 108 HG22 THR 14 2HG2 THR 14 1.248 -9.118 -21.036 109 HG23 THR 14 3HG2 THR 14 2.869 -9.052 -21.728 110 H TYR 15 H TYR 15 5.433 -6.896 -19.212 111 HA TYR 15 HA TYR 15 5.830 -6.171 -21.997 112 HB2 TYR 15 2HB TYR 15 6.214 -4.742 -19.379 113 HB3 TYR 15 3HB TYR 15 6.883 -4.090 -20.871 114 HD1 TYR 15 HD1 TYR 15 5.619 -2.410 -21.799 115 HD2 TYR 15 HD2 TYR 15 3.623 -5.602 -19.817 116 HE1 TYR 15 HE1 TYR 15 3.452 -1.370 -22.320 117 HE2 TYR 15 HE2 TYR 15 1.450 -4.572 -20.334 118 HH TYR 15 HH TYR 15 0.703 -2.786 -22.391 119 H CYS 16 H CYS 16 7.904 -6.422 -19.104 120 HA CYS 16 HA CYS 16 10.360 -6.121 -20.317 121 HB2 CYS 16 2HB CYS 16 9.741 -7.994 -18.023 122 HB3 CYS 16 3HB CYS 16 11.312 -7.304 -18.411 123 HG CYS 16 HG CYS 16 10.583 -4.685 -17.802 124 H GLY 17 H GLY 17 8.610 -9.173 -19.745 125 HA2 GLY 17 2HA GLY 17 8.693 -11.178 -20.863 126 HA3 GLY 17 3HA GLY 17 9.454 -10.318 -22.193 127 H LYS 18 H LYS 18 9.919 -12.420 -19.531 128 HA LYS 18 HA LYS 18 11.727 -13.530 -18.701 129 HB2 LYS 18 2HB LYS 18 11.686 -14.270 -21.117 130 HB3 LYS 18 3HB LYS 18 12.927 -13.064 -21.433 131 HG2 LYS 18 2HG LYS 18 14.138 -14.315 -19.443 132 HG3 LYS 18 3HG LYS 18 13.109 -15.644 -19.982 133 HD2 LYS 18 2HD LYS 18 14.003 -14.970 -22.351 134 HD3 LYS 18 3HD LYS 18 15.315 -14.241 -21.423 135 HE2 LYS 18 2HE LYS 18 16.179 -16.237 -20.840 136 HE3 LYS 18 3HE LYS 18 14.592 -16.972 -20.616 137 HZ1 LYS 18 1HZ LYS 18 14.594 -17.782 -22.684 138 HZ2 LYS 18 2HZ LYS 18 16.265 -17.518 -22.651 139 HZ3 LYS 18 3HZ LYS 18 15.242 -16.373 -23.361 140 H THR 19 H THR 19 11.731 -10.898 -17.962 141 HA THR 19 HA THR 19 14.371 -10.474 -17.152 142 HB THR 19 HB THR 19 14.890 -9.864 -19.429 143 HG1 THR 19 HG1 THR 19 16.057 -8.368 -18.506 144 HG21 THR 19 1HG2 THR 19 12.266 -8.756 -19.399 145 HG22 THR 19 2HG2 THR 19 13.364 -8.949 -20.766 146 HG23 THR 19 3HG2 THR 19 13.407 -7.474 -19.800 147 H SER 20 H SER 20 12.120 -10.466 -15.727 148 HA SER 20 HA SER 20 11.348 -7.671 -15.296 149 HB2 SER 20 2HB SER 20 9.711 -8.901 -13.631 150 HB3 SER 20 3HB SER 20 9.379 -8.885 -15.363 151 HG SER 20 HG SER 20 10.000 -10.959 -15.520 152 HA PRO 21 HA PRO 21 13.619 -7.203 -11.573 153 HB2 PRO 21 2HB PRO 21 11.895 -5.799 -10.015 154 HB3 PRO 21 3HB PRO 21 12.724 -5.094 -11.407 155 HG2 PRO 21 2HG PRO 21 9.931 -6.152 -11.203 156 HG3 PRO 21 3HG PRO 21 10.514 -4.678 -11.999 157 HD2 PRO 21 2HD PRO 21 9.943 -6.944 -13.367 158 HD3 PRO 21 3HD PRO 21 11.219 -5.819 -13.874 159 H SER 22 H SER 22 13.482 -7.494 -9.141 160 HA SER 22 HA SER 22 11.928 -9.925 -8.569 161 HB2 SER 22 2HB SER 22 14.609 -9.605 -8.377 162 HB3 SER 22 3HB SER 22 14.127 -9.149 -6.743 163 HG SER 22 HG SER 22 14.399 -11.328 -6.700 164 H LYS 23 H LYS 23 10.945 -10.174 -6.507 165 HA LYS 23 HA LYS 23 9.426 -8.047 -5.623 166 HB2 LYS 23 2HB LYS 23 9.926 -10.763 -4.787 167 HB3 LYS 23 3HB LYS 23 9.764 -9.716 -3.383 168 HG2 LYS 23 2HG LYS 23 7.706 -9.036 -5.206 169 HG3 LYS 23 3HG LYS 23 7.731 -10.793 -5.042 170 HD2 LYS 23 2HD LYS 23 6.344 -10.195 -3.303 171 HD3 LYS 23 3HD LYS 23 7.909 -10.262 -2.489 172 HE2 LYS 23 2HE LYS 23 7.743 -8.122 -1.918 173 HE3 LYS 23 3HE LYS 23 7.532 -7.656 -3.606 174 HZ1 LYS 23 1HZ LYS 23 5.634 -6.913 -2.452 175 HZ2 LYS 23 2HZ LYS 23 5.429 -8.389 -1.652 176 HZ3 LYS 23 3HZ LYS 23 5.135 -8.281 -3.314 177 H LYS 24 H LYS 24 12.486 -9.256 -4.295 178 HA LYS 24 HA LYS 24 12.619 -7.417 -2.148 179 HB2 LYS 24 2HB LYS 24 13.918 -9.532 -2.268 180 HB3 LYS 24 3HB LYS 24 14.896 -8.829 -3.550 181 HG2 LYS 24 2HG LYS 24 16.057 -8.712 -1.433 182 HG3 LYS 24 3HG LYS 24 15.662 -7.090 -2.007 183 HD2 LYS 24 2HD LYS 24 14.195 -6.705 -0.318 184 HD3 LYS 24 3HD LYS 24 13.677 -8.390 -0.240 185 HE2 LYS 24 2HE LYS 24 15.377 -8.988 1.177 186 HE3 LYS 24 3HE LYS 24 16.453 -7.717 0.598 187 HZ1 LYS 24 1HZ LYS 24 15.817 -6.437 2.269 188 HZ2 LYS 24 2HZ LYS 24 14.850 -7.687 2.869 189 HZ3 LYS 24 3HZ LYS 24 14.195 -6.548 1.804 190 H GLU 25 H GLU 25 13.455 -7.215 -5.514 191 HA GLU 25 HA GLU 25 15.129 -4.902 -5.266 192 HB2 GLU 25 2HB GLU 25 14.130 -6.610 -7.430 193 HB3 GLU 25 3HB GLU 25 14.273 -4.916 -7.877 194 HG2 GLU 25 2HG GLU 25 16.620 -4.954 -7.098 195 HG3 GLU 25 3HG GLU 25 16.454 -6.683 -6.793 196 H ILE 26 H ILE 26 11.791 -5.458 -6.359 197 HA ILE 26 HA ILE 26 11.127 -2.832 -6.989 198 HB ILE 26 HB ILE 26 9.319 -4.959 -5.834 199 HG12 ILE 26 2HG1 ILE 26 9.787 -4.197 -8.723 200 HG13 ILE 26 3HG1 ILE 26 10.550 -5.572 -7.932 201 HG21 ILE 26 1HG2 ILE 26 8.805 -2.268 -7.008 202 HG22 ILE 26 2HG2 ILE 26 7.637 -3.561 -7.271 203 HG23 ILE 26 3HG2 ILE 26 8.042 -3.060 -5.630 204 HD11 ILE 26 1HD1 ILE 26 8.201 -5.628 -9.320 205 HD12 ILE 26 2HD1 ILE 26 8.732 -6.836 -8.149 206 HD13 ILE 26 3HD1 ILE 26 7.653 -5.536 -7.646 207 H GLY 27 H GLY 27 11.246 -4.458 -3.880 208 HA2 GLY 27 2HA GLY 27 9.948 -2.309 -2.465 209 HA3 GLY 27 3HA GLY 27 10.737 -3.706 -1.748 210 H ALA 28 H ALA 28 13.188 -3.055 -3.411 211 HA ALA 28 HA ALA 28 14.336 -1.201 -1.476 212 HB1 ALA 28 1HB ALA 28 15.709 -3.052 -1.682 213 HB2 ALA 28 2HB ALA 28 15.477 -3.159 -3.427 214 HB3 ALA 28 3HB ALA 28 16.488 -1.884 -2.749 215 H MET 29 H MET 29 12.835 -0.930 -4.384 216 HA MET 29 HA MET 29 14.556 1.259 -5.321 217 HB2 MET 29 2HB MET 29 14.011 -0.514 -6.957 218 HB3 MET 29 3HB MET 29 12.302 -0.149 -6.762 219 HG2 MET 29 2HG MET 29 14.099 2.080 -7.516 220 HG3 MET 29 3HG MET 29 13.760 0.852 -8.733 221 HE1 MET 29 1HE MET 29 11.280 -0.188 -8.492 222 HE2 MET 29 2HE MET 29 9.858 0.842 -8.657 223 HE3 MET 29 3HE MET 29 11.035 0.745 -9.968 224 H LEU 30 H LEU 30 11.172 0.464 -4.610 225 HA LEU 30 HA LEU 30 9.969 2.880 -5.146 226 HB2 LEU 30 2HB LEU 30 9.422 0.613 -3.354 227 HB3 LEU 30 3HB LEU 30 8.632 2.125 -2.913 228 HG LEU 30 HG LEU 30 7.473 2.201 -5.013 229 HD11 LEU 30 1HD1 LEU 30 8.556 1.385 -6.784 230 HD12 LEU 30 2HD1 LEU 30 7.900 -0.180 -6.308 231 HD13 LEU 30 3HD1 LEU 30 9.523 0.286 -5.800 232 HD21 LEU 30 1HD2 LEU 30 7.278 -0.644 -4.059 233 HD22 LEU 30 2HD2 LEU 30 6.008 0.372 -4.742 234 HD23 LEU 30 3HD2 LEU 30 6.646 0.717 -3.133 235 H SER 31 H SER 31 10.997 1.876 -1.879 236 HA SER 31 HA SER 31 10.722 4.356 -0.664 237 HB2 SER 31 2HB SER 31 11.082 2.828 0.974 238 HB3 SER 31 3HB SER 31 12.128 1.837 -0.043 239 HG SER 31 HG SER 31 13.402 2.716 1.541 240 H LEU 32 H LEU 32 13.261 3.134 -2.697 241 HA LEU 32 HA LEU 32 15.325 4.902 -2.003 242 HB2 LEU 32 2HB LEU 32 15.205 2.810 -3.617 243 HB3 LEU 32 3HB LEU 32 14.980 4.062 -4.836 244 HG LEU 32 HG LEU 32 17.322 3.302 -4.628 245 HD11 LEU 32 1HD1 LEU 32 17.394 6.095 -3.655 246 HD12 LEU 32 2HD1 LEU 32 16.434 5.770 -5.098 247 HD13 LEU 32 3HD1 LEU 32 18.150 5.363 -5.071 248 HD21 LEU 32 1HD2 LEU 32 17.588 4.756 -2.049 249 HD22 LEU 32 2HD2 LEU 32 18.553 3.436 -2.711 250 HD23 LEU 32 3HD2 LEU 32 16.964 3.106 -2.018 251 H LEU 33 H LEU 33 13.024 5.116 -4.723 252 HA LEU 33 HA LEU 33 13.780 7.665 -5.585 253 HB2 LEU 33 2HB LEU 33 10.972 6.622 -5.766 254 HB3 LEU 33 3HB LEU 33 11.825 7.677 -6.891 255 HG LEU 33 HG LEU 33 12.212 4.716 -6.492 256 HD11 LEU 33 1HD1 LEU 33 10.372 5.092 -7.898 257 HD12 LEU 33 2HD1 LEU 33 11.725 4.788 -8.988 258 HD13 LEU 33 3HD1 LEU 33 11.164 6.438 -8.717 259 HD21 LEU 33 1HD2 LEU 33 14.390 5.790 -6.758 260 HD22 LEU 33 2HD2 LEU 33 13.813 6.610 -8.209 261 HD23 LEU 33 3HD2 LEU 33 13.959 4.852 -8.189 262 H GLN 34 H GLN 34 11.896 6.672 -2.878 263 HA GLN 34 HA GLN 34 10.516 9.155 -2.503 264 HB2 GLN 34 2HB GLN 34 10.914 6.694 -0.828 265 HB3 GLN 34 3HB GLN 34 10.178 8.136 -0.141 266 HG2 GLN 34 2HG GLN 34 8.459 8.060 -1.909 267 HG3 GLN 34 3HG GLN 34 9.172 6.559 -2.498 268 HE21 GLN 34 1HE2 GLN 34 6.660 7.664 -0.860 269 HE22 GLN 34 2HE2 GLN 34 6.386 6.365 0.246 270 H LYS 35 H LYS 35 13.244 7.576 -0.843 271 HA LYS 35 HA LYS 35 13.814 9.775 0.846 272 HB2 LYS 35 2HB LYS 35 15.956 8.609 1.273 273 HB3 LYS 35 3HB LYS 35 14.563 7.547 1.429 274 HG2 LYS 35 2HG LYS 35 15.003 6.670 -0.825 275 HG3 LYS 35 3HG LYS 35 16.432 7.701 -0.927 276 HD2 LYS 35 2HD LYS 35 17.505 5.893 -0.123 277 HD3 LYS 35 3HD LYS 35 16.872 6.436 1.433 278 HE2 LYS 35 2HE LYS 35 14.775 4.998 0.509 279 HE3 LYS 35 3HE LYS 35 16.118 4.120 -0.222 280 HZ1 LYS 35 1HZ LYS 35 16.359 4.811 2.602 281 HZ2 LYS 35 2HZ LYS 35 16.878 3.427 1.779 282 HZ3 LYS 35 3HZ LYS 35 15.249 3.598 2.203 283 H GLU 36 H GLU 36 15.057 8.758 -2.299 284 HA GLU 36 HA GLU 36 17.179 10.553 -2.528 285 HB2 GLU 36 2HB GLU 36 15.662 8.822 -4.294 286 HB3 GLU 36 3HB GLU 36 16.121 10.316 -5.100 287 HG2 GLU 36 2HG GLU 36 18.098 8.633 -3.598 288 HG3 GLU 36 3HG GLU 36 17.716 8.359 -5.297 289 H GLY 37 H GLY 37 13.777 11.085 -2.666 290 HA2 GLY 37 2HA GLY 37 12.797 13.224 -2.448 291 HA3 GLY 37 3HA GLY 37 14.268 13.937 -3.094 292 H LEU 38 H LEU 38 12.760 11.213 -4.651 293 HA LEU 38 HA LEU 38 12.284 12.863 -7.005 294 HB2 LEU 38 2HB LEU 38 12.049 9.879 -6.655 295 HB3 LEU 38 3HB LEU 38 11.972 10.757 -8.181 296 HG LEU 38 HG LEU 38 14.421 10.808 -6.439 297 HD11 LEU 38 1HD1 LEU 38 13.353 8.557 -7.831 298 HD12 LEU 38 2HD1 LEU 38 14.856 8.691 -6.919 299 HD13 LEU 38 3HD1 LEU 38 14.829 9.094 -8.636 300 HD21 LEU 38 1HD2 LEU 38 14.833 12.405 -7.978 301 HD22 LEU 38 2HD2 LEU 38 13.650 11.764 -9.119 302 HD23 LEU 38 3HD2 LEU 38 15.246 11.022 -8.992 303 H LEU 39 H LEU 39 10.467 10.260 -5.372 304 HA LEU 39 HA LEU 39 7.994 11.735 -6.003 305 HB2 LEU 39 2HB LEU 39 6.982 9.346 -5.754 306 HB3 LEU 39 3HB LEU 39 7.745 9.842 -7.264 307 HG LEU 39 HG LEU 39 9.834 8.672 -6.442 308 HD11 LEU 39 1HD1 LEU 39 9.544 8.422 -4.148 309 HD12 LEU 39 2HD1 LEU 39 9.242 6.804 -4.779 310 HD13 LEU 39 3HD1 LEU 39 7.888 7.838 -4.321 311 HD21 LEU 39 1HD2 LEU 39 7.780 6.573 -6.617 312 HD22 LEU 39 2HD2 LEU 39 9.215 6.847 -7.605 313 HD23 LEU 39 3HD2 LEU 39 7.745 7.777 -7.906 314 H MET 40 H MET 40 6.153 11.154 -4.504 315 HA MET 40 HA MET 40 7.156 11.222 -1.751 316 HB2 MET 40 2HB MET 40 4.448 11.959 -2.876 317 HB3 MET 40 3HB MET 40 4.908 12.091 -1.184 318 HG2 MET 40 2HG MET 40 6.869 13.539 -2.232 319 HG3 MET 40 3HG MET 40 5.664 13.773 -3.496 320 HE1 MET 40 1HE MET 40 5.741 14.665 0.813 321 HE2 MET 40 2HE MET 40 7.055 14.364 -0.323 322 HE3 MET 40 3HE MET 40 6.485 16.011 -0.050 323 H SER 41 H SER 41 5.346 9.280 -3.954 324 HA SER 41 HA SER 41 5.049 7.237 -1.888 325 HB2 SER 41 2HB SER 41 2.692 6.881 -3.189 326 HB3 SER 41 3HB SER 41 2.856 7.796 -1.690 327 HG SER 41 HG SER 41 1.899 8.701 -3.897 328 HA PRO 42 HA PRO 42 6.234 4.416 -5.031 329 HB2 PRO 42 2HB PRO 42 4.754 2.219 -4.437 330 HB3 PRO 42 3HB PRO 42 6.120 2.753 -3.450 331 HG2 PRO 42 2HG PRO 42 3.189 3.184 -3.019 332 HG3 PRO 42 3HG PRO 42 4.439 2.739 -1.842 333 HD2 PRO 42 2HD PRO 42 3.508 5.269 -2.092 334 HD3 PRO 42 3HD PRO 42 5.182 4.910 -1.622 335 H SER 43 H SER 43 2.946 5.389 -4.773 336 HA SER 43 HA SER 43 2.051 3.996 -7.138 337 HB2 SER 43 2HB SER 43 0.099 5.806 -6.706 338 HB3 SER 43 3HB SER 43 0.209 4.283 -5.823 339 HG SER 43 HG SER 43 0.144 5.656 -4.194 340 H ASP 44 H ASP 44 3.904 6.701 -6.587 341 HA ASP 44 HA ASP 44 2.940 8.506 -8.533 342 HB2 ASP 44 2HB ASP 44 4.829 8.669 -6.616 343 HB3 ASP 44 3HB ASP 44 5.860 8.423 -8.024 344 H LEU 45 H LEU 45 4.468 5.500 -8.832 345 HA LEU 45 HA LEU 45 6.020 5.816 -11.133 346 HB2 LEU 45 2HB LEU 45 4.837 3.617 -9.638 347 HB3 LEU 45 3HB LEU 45 4.933 3.290 -11.367 348 HG LEU 45 HG LEU 45 7.381 3.840 -11.235 349 HD11 LEU 45 1HD1 LEU 45 8.058 3.348 -8.657 350 HD12 LEU 45 2HD1 LEU 45 6.602 4.319 -8.446 351 HD13 LEU 45 3HD1 LEU 45 7.959 4.956 -9.376 352 HD21 LEU 45 1HD2 LEU 45 7.960 1.673 -10.652 353 HD22 LEU 45 2HD2 LEU 45 6.257 1.515 -11.084 354 HD23 LEU 45 3HD2 LEU 45 6.735 1.576 -9.387 355 H TYR 46 H TYR 46 2.615 5.863 -10.715 356 HA TYR 46 HA TYR 46 1.998 5.211 -13.463 357 HB2 TYR 46 2HB TYR 46 0.157 6.392 -11.379 358 HB3 TYR 46 3HB TYR 46 -0.303 5.548 -12.853 359 HD1 TYR 46 HD1 TYR 46 1.541 3.219 -12.737 360 HD2 TYR 46 HD2 TYR 46 -0.776 5.073 -9.687 361 HE1 TYR 46 HE1 TYR 46 1.476 1.093 -11.502 362 HE2 TYR 46 HE2 TYR 46 -0.846 2.952 -8.443 363 HH TYR 46 HH TYR 46 -0.158 0.845 -8.357 364 H SER 47 H SER 47 3.413 7.796 -12.157 365 HA SER 47 HA SER 47 1.988 9.741 -13.845 366 HB2 SER 47 2HB SER 47 2.173 10.275 -11.407 367 HB3 SER 47 3HB SER 47 3.927 10.315 -11.592 368 HG SER 47 HG SER 47 3.179 12.396 -11.806 369 HA PRO 48 HA PRO 48 5.836 8.948 -16.207 370 HB2 PRO 48 2HB PRO 48 4.696 9.438 -18.621 371 HB3 PRO 48 3HB PRO 48 4.602 7.868 -17.816 372 HG2 PRO 48 2HG PRO 48 2.573 10.066 -17.922 373 HG3 PRO 48 3HG PRO 48 2.337 8.317 -18.093 374 HD2 PRO 48 2HD PRO 48 1.818 9.638 -15.788 375 HD3 PRO 48 3HD PRO 48 2.395 7.960 -15.817 376 H GLY 49 H GLY 49 6.112 11.122 -14.891 377 HA2 GLY 49 2HA GLY 49 6.664 13.160 -16.899 378 HA3 GLY 49 3HA GLY 49 5.569 13.626 -15.605 379 H SER 50 H SER 50 7.896 11.366 -14.628 380 HA SER 50 HA SER 50 9.793 13.426 -13.781 381 HB2 SER 50 2HB SER 50 8.048 11.808 -11.998 382 HB3 SER 50 3HB SER 50 9.724 12.025 -11.493 383 HG SER 50 HG SER 50 8.442 13.702 -10.686 384 H TRP 51 H TRP 51 9.418 10.746 -15.424 385 HA TRP 51 HA TRP 51 11.358 8.977 -14.318 386 HB2 TRP 51 2HB TRP 51 10.229 9.167 -17.118 387 HB3 TRP 51 3HB TRP 51 11.236 7.847 -16.530 388 HD1 TRP 51 HD1 TRP 51 9.456 8.152 -13.593 389 HE1 TRP 51 HE1 TRP 51 7.254 6.819 -13.536 390 HE3 TRP 51 HE3 TRP 51 8.831 7.400 -18.611 391 HZ2 TRP 51 HZ2 TRP 51 5.487 5.609 -15.374 392 HZ3 TRP 51 HZ3 TRP 51 6.859 6.144 -19.379 393 HH2 TRP 51 HH2 TRP 51 5.223 5.268 -17.792 394 H ASP 52 H ASP 52 11.504 11.768 -16.358 395 HA ASP 52 HA ASP 52 13.952 11.326 -17.648 396 HB2 ASP 52 2HB ASP 52 12.202 13.622 -17.112 397 HB3 ASP 52 3HB ASP 52 13.905 14.045 -17.269 398 HA PRO 53 HA PRO 53 16.088 13.669 -14.009 399 HB2 PRO 53 2HB PRO 53 14.597 14.178 -11.799 400 HB3 PRO 53 3HB PRO 53 14.703 15.295 -13.165 401 HG2 PRO 53 2HG PRO 53 12.561 13.311 -12.502 402 HG3 PRO 53 3HG PRO 53 12.400 14.982 -13.075 403 HD2 PRO 53 2HD PRO 53 12.136 12.846 -14.718 404 HD3 PRO 53 3HD PRO 53 12.795 14.400 -15.270 405 H ILE 54 H ILE 54 13.668 11.241 -13.263 406 HA ILE 54 HA ILE 54 15.056 10.162 -11.002 407 HB ILE 54 HB ILE 54 12.769 9.139 -12.672 408 HG12 ILE 54 2HG1 ILE 54 12.873 9.915 -9.753 409 HG13 ILE 54 3HG1 ILE 54 12.446 11.040 -11.039 410 HG21 ILE 54 1HG2 ILE 54 12.552 7.365 -10.900 411 HG22 ILE 54 2HG2 ILE 54 13.906 7.167 -12.010 412 HG23 ILE 54 3HG2 ILE 54 14.183 7.791 -10.384 413 HD11 ILE 54 1HD1 ILE 54 10.973 8.492 -10.421 414 HD12 ILE 54 2HD1 ILE 54 10.489 10.104 -9.893 415 HD13 ILE 54 3HD1 ILE 54 10.520 9.710 -11.612 416 H THR 55 H THR 55 14.735 9.264 -14.414 417 HA THR 55 HA THR 55 16.279 6.889 -14.225 418 HB THR 55 HB THR 55 15.656 8.609 -16.632 419 HG1 THR 55 HG1 THR 55 13.813 7.664 -15.674 420 HG21 THR 55 1HG2 THR 55 16.094 6.275 -17.752 421 HG22 THR 55 2HG2 THR 55 17.098 6.012 -16.326 422 HG23 THR 55 3HG2 THR 55 17.436 7.364 -17.406 423 H ALA 56 H ALA 56 17.051 10.250 -14.903 424 HA ALA 56 HA ALA 56 19.777 9.702 -15.641 425 HB1 ALA 56 1HB ALA 56 18.496 11.641 -16.515 426 HB2 ALA 56 2HB ALA 56 18.540 12.348 -14.899 427 HB3 ALA 56 3HB ALA 56 20.041 12.083 -15.787 428 H ALA 57 H ALA 57 18.045 10.386 -12.714 429 HA ALA 57 HA ALA 57 20.308 11.216 -11.175 430 HB1 ALA 57 1HB ALA 57 17.477 10.514 -10.583 431 HB2 ALA 57 2HB ALA 57 18.639 10.546 -9.256 432 HB3 ALA 57 3HB ALA 57 18.373 11.992 -10.230 433 H LEU 58 H LEU 58 18.413 8.199 -11.300 434 HA LEU 58 HA LEU 58 19.964 6.744 -9.487 435 HB2 LEU 58 2HB LEU 58 18.321 5.820 -11.836 436 HB3 LEU 58 3HB LEU 58 19.021 4.735 -10.637 437 HG LEU 58 HG LEU 58 17.055 6.909 -9.943 438 HD11 LEU 58 1HD1 LEU 58 15.529 5.683 -11.017 439 HD12 LEU 58 2HD1 LEU 58 15.719 4.531 -9.695 440 HD13 LEU 58 3HD1 LEU 58 16.622 4.309 -11.194 441 HD21 LEU 58 1HD2 LEU 58 16.749 5.516 -7.922 442 HD22 LEU 58 2HD2 LEU 58 18.384 6.158 -8.079 443 HD23 LEU 58 3HD2 LEU 58 18.056 4.471 -8.478 444 H SER 59 H SER 59 20.286 7.179 -12.975 445 HA SER 59 HA SER 59 22.272 5.281 -13.467 446 HB2 SER 59 2HB SER 59 21.457 6.130 -15.439 447 HB3 SER 59 3HB SER 59 21.356 7.775 -14.813 448 HG SER 59 HG SER 59 23.040 7.797 -16.209 449 H GLN 60 H GLN 60 22.496 8.584 -12.272 450 HA GLN 60 HA GLN 60 25.379 8.595 -12.327 451 HB2 GLN 60 2HB GLN 60 24.360 10.707 -12.670 452 HB3 GLN 60 3HB GLN 60 23.311 10.514 -11.271 453 HG2 GLN 60 2HG GLN 60 24.817 11.394 -9.902 454 HG3 GLN 60 3HG GLN 60 26.109 10.384 -10.548 455 HE21 GLN 60 1HE2 GLN 60 24.130 13.175 -11.487 456 HE22 GLN 60 2HE2 GLN 60 25.421 14.062 -12.216 457 H ARG 61 H ARG 61 22.843 8.306 -9.876 458 HA ARG 61 HA ARG 61 24.352 8.370 -7.572 459 HB2 ARG 61 2HB ARG 61 21.813 8.141 -7.841 460 HB3 ARG 61 3HB ARG 61 22.100 6.410 -7.963 461 HG2 ARG 61 2HG ARG 61 23.234 6.520 -5.742 462 HG3 ARG 61 3HG ARG 61 22.708 8.200 -5.625 463 HD2 ARG 61 2HD ARG 61 20.400 7.542 -5.707 464 HD3 ARG 61 3HD ARG 61 20.845 5.868 -6.036 465 HE ARG 61 HE ARG 61 21.145 5.563 -3.795 466 HH11 ARG 61 1HH1 ARG 61 21.237 8.975 -4.480 467 HH12 ARG 61 2HH1 ARG 61 21.306 9.440 -2.812 468 HH21 ARG 61 1HH2 ARG 61 21.236 6.163 -1.596 469 HH22 ARG 61 2HH2 ARG 61 21.306 7.840 -1.173 470 H ALA 62 H ALA 62 23.667 5.564 -9.641 471 HA ALA 62 HA ALA 62 24.966 3.613 -8.146 472 HB1 ALA 62 1HB ALA 62 23.562 3.010 -9.997 473 HB2 ALA 62 2HB ALA 62 24.634 3.830 -11.134 474 HB3 ALA 62 3HB ALA 62 25.184 2.382 -10.291 475 H MET 63 H MET 63 26.269 6.172 -10.070 476 HA MET 63 HA MET 63 28.906 4.976 -10.242 477 HB2 MET 63 2HB MET 63 28.145 7.805 -10.955 478 HB3 MET 63 3HB MET 63 29.530 6.885 -11.526 479 HG2 MET 63 2HG MET 63 27.471 5.315 -12.344 480 HG3 MET 63 3HG MET 63 26.765 6.924 -12.481 481 HE1 MET 63 1HE MET 63 29.473 8.794 -14.356 482 HE2 MET 63 2HE MET 63 27.822 8.664 -14.961 483 HE3 MET 63 3HE MET 63 28.117 8.825 -13.229 484 H ILE 64 H ILE 64 27.435 7.826 -8.696 485 HA ILE 64 HA ILE 64 29.640 8.814 -7.367 486 HB ILE 64 HB ILE 64 26.848 8.728 -6.222 487 HG12 ILE 64 2HG1 ILE 64 26.689 9.595 -8.459 488 HG13 ILE 64 3HG1 ILE 64 26.597 10.957 -7.349 489 HG21 ILE 64 1HG2 ILE 64 28.696 9.456 -4.713 490 HG22 ILE 64 2HG2 ILE 64 29.024 10.775 -5.835 491 HG23 ILE 64 3HG2 ILE 64 27.471 10.691 -5.004 492 HD11 ILE 64 1HD1 ILE 64 27.986 11.484 -9.259 493 HD12 ILE 64 2HD1 ILE 64 28.950 11.456 -7.782 494 HD13 ILE 64 3HD1 ILE 64 29.023 10.101 -8.909 495 H LEU 65 H LEU 65 27.698 6.015 -6.617 496 HA LEU 65 HA LEU 65 29.252 5.593 -4.154 497 HB2 LEU 65 2HB LEU 65 26.483 5.073 -4.915 498 HB3 LEU 65 3HB LEU 65 27.270 3.688 -4.160 499 HG LEU 65 HG LEU 65 27.738 6.127 -2.667 500 HD11 LEU 65 1HD1 LEU 65 24.880 5.259 -2.637 501 HD12 LEU 65 2HD1 LEU 65 25.424 6.472 -3.796 502 HD13 LEU 65 3HD1 LEU 65 25.604 6.763 -2.067 503 HD21 LEU 65 1HD2 LEU 65 26.931 4.735 -0.832 504 HD22 LEU 65 2HD2 LEU 65 28.111 3.869 -1.816 505 HD23 LEU 65 3HD2 LEU 65 26.391 3.515 -1.986 506 H GLY 66 H GLY 66 27.715 3.587 -6.682 507 HA2 GLY 66 2HA GLY 66 29.150 2.216 -8.118 508 HA3 GLY 66 3HA GLY 66 30.184 1.964 -6.720 509 H LYS 67 H LYS 67 26.651 1.778 -6.973 510 HA LYS 67 HA LYS 67 26.841 -1.047 -6.154 511 HB2 LYS 67 2HB LYS 67 24.533 -0.642 -5.155 512 HB3 LYS 67 3HB LYS 67 25.892 0.106 -4.327 513 HG2 LYS 67 2HG LYS 67 25.370 2.221 -5.550 514 HG3 LYS 67 3HG LYS 67 23.905 1.439 -6.149 515 HD2 LYS 67 2HD LYS 67 23.102 1.133 -3.884 516 HD3 LYS 67 3HD LYS 67 24.602 1.799 -3.235 517 HE2 LYS 67 2HE LYS 67 23.016 3.547 -3.139 518 HE3 LYS 67 3HE LYS 67 24.062 3.915 -4.510 519 HZ1 LYS 67 1HZ LYS 67 21.279 3.585 -4.485 520 HZ2 LYS 67 2HZ LYS 67 21.940 2.353 -5.436 521 HZ3 LYS 67 3HZ LYS 67 22.279 3.971 -5.795 522 H SER 68 H SER 68 24.785 1.292 -7.877 523 HA SER 68 HA SER 68 23.345 1.059 -9.625 524 HB2 SER 68 2HB SER 68 25.747 -0.296 -10.299 525 HB3 SER 68 3HB SER 68 24.410 -1.274 -10.905 526 HG SER 68 HG SER 68 24.285 0.123 -12.455 527 H GLY 69 H GLY 69 22.870 -0.490 -7.136 528 HA2 GLY 69 2HA GLY 69 21.735 -3.008 -7.862 529 HA3 GLY 69 3HA GLY 69 21.504 -2.165 -6.338 530 H GLU 70 H GLU 70 20.080 -0.116 -6.590 531 HA GLU 70 HA GLU 70 17.512 -0.936 -7.312 532 HB2 GLU 70 2HB GLU 70 18.684 1.794 -6.808 533 HB3 GLU 70 3HB GLU 70 16.978 1.560 -7.166 534 HG2 GLU 70 2HG GLU 70 16.763 1.413 -4.949 535 HG3 GLU 70 3HG GLU 70 17.335 -0.239 -5.175 536 H LEU 71 H LEU 71 20.033 0.512 -9.188 537 HA LEU 71 HA LEU 71 18.529 1.631 -11.273 538 HB2 LEU 71 2HB LEU 71 21.293 0.949 -10.761 539 HB3 LEU 71 3HB LEU 71 20.854 0.641 -12.440 540 HG LEU 71 HG LEU 71 20.641 3.273 -10.981 541 HD11 LEU 71 1HD1 LEU 71 22.236 3.129 -13.408 542 HD12 LEU 71 2HD1 LEU 71 22.845 2.086 -12.123 543 HD13 LEU 71 3HD1 LEU 71 22.629 3.812 -11.830 544 HD21 LEU 71 1HD2 LEU 71 20.326 3.701 -13.700 545 HD22 LEU 71 2HD2 LEU 71 19.065 3.779 -12.470 546 HD23 LEU 71 3HD2 LEU 71 19.329 2.284 -13.368 547 H LYS 72 H LYS 72 19.701 -1.652 -10.740 548 HA LYS 72 HA LYS 72 19.025 -2.700 -13.266 549 HB2 LYS 72 2HB LYS 72 20.516 -3.813 -11.609 550 HB3 LYS 72 3HB LYS 72 19.104 -4.161 -10.619 551 HG2 LYS 72 2HG LYS 72 19.790 -6.096 -11.936 552 HG3 LYS 72 3HG LYS 72 18.176 -5.542 -12.386 553 HD2 LYS 72 2HD LYS 72 18.896 -4.692 -14.420 554 HD3 LYS 72 3HD LYS 72 20.574 -4.562 -13.885 555 HE2 LYS 72 2HE LYS 72 19.362 -7.270 -13.987 556 HE3 LYS 72 3HE LYS 72 19.744 -6.488 -15.520 557 HZ1 LYS 72 1HZ LYS 72 21.520 -7.539 -13.485 558 HZ2 LYS 72 2HZ LYS 72 21.990 -6.057 -14.151 559 HZ3 LYS 72 3HZ LYS 72 21.749 -7.397 -15.155 560 H THR 73 H THR 73 17.112 -1.854 -10.535 561 HA THR 73 HA THR 73 14.846 -3.477 -11.369 562 HB THR 73 HB THR 73 14.812 -1.402 -9.185 563 HG1 THR 73 HG1 THR 73 16.552 -2.831 -8.776 564 HG21 THR 73 1HG2 THR 73 13.153 -3.773 -9.946 565 HG22 THR 73 2HG2 THR 73 12.642 -2.145 -9.499 566 HG23 THR 73 3HG2 THR 73 13.225 -3.257 -8.261 567 H TRP 74 H TRP 74 15.686 -0.039 -11.071 568 HA TRP 74 HA TRP 74 13.251 0.997 -12.001 569 HB2 TRP 74 2HB TRP 74 14.902 2.390 -10.864 570 HB3 TRP 74 3HB TRP 74 16.035 2.166 -12.194 571 HD1 TRP 74 HD1 TRP 74 16.127 4.201 -13.724 572 HE1 TRP 74 HE1 TRP 74 14.480 6.025 -14.487 573 HE3 TRP 74 HE3 TRP 74 11.963 2.641 -11.202 574 HZ2 TRP 74 HZ2 TRP 74 11.773 6.713 -14.074 575 HZ3 TRP 74 HZ3 TRP 74 9.885 3.938 -11.439 576 HH2 TRP 74 HH2 TRP 74 9.795 5.932 -12.845 577 H GLY 75 H GLY 75 16.261 0.250 -13.745 578 HA2 GLY 75 2HA GLY 75 15.462 1.112 -16.279 579 HA3 GLY 75 3HA GLY 75 16.660 -0.136 -15.971 580 H LEU 76 H LEU 76 14.443 -1.635 -14.478 581 HA LEU 76 HA LEU 76 13.393 -2.956 -16.870 582 HB2 LEU 76 2HB LEU 76 13.831 -3.790 -14.035 583 HB3 LEU 76 3HB LEU 76 12.669 -4.662 -15.033 584 HG LEU 76 HG LEU 76 15.631 -4.380 -15.530 585 HD11 LEU 76 1HD1 LEU 76 14.003 -6.306 -14.130 586 HD12 LEU 76 2HD1 LEU 76 15.758 -6.180 -14.236 587 HD13 LEU 76 3HD1 LEU 76 14.861 -7.054 -15.478 588 HD21 LEU 76 1HD2 LEU 76 13.418 -5.502 -17.219 589 HD22 LEU 76 2HD2 LEU 76 15.083 -6.061 -17.379 590 HD23 LEU 76 3HD2 LEU 76 14.690 -4.367 -17.672 591 H VAL 77 H VAL 77 12.353 -1.402 -13.888 592 HA VAL 77 HA VAL 77 9.585 -1.995 -14.193 593 HB VAL 77 HB VAL 77 10.923 0.190 -12.591 594 HG11 VAL 77 1HG1 VAL 77 8.110 -0.528 -13.019 595 HG12 VAL 77 2HG1 VAL 77 8.581 -0.349 -11.327 596 HG13 VAL 77 3HG1 VAL 77 8.825 0.983 -12.458 597 HG21 VAL 77 1HG2 VAL 77 9.745 -2.143 -11.245 598 HG22 VAL 77 2HG2 VAL 77 11.178 -2.481 -12.215 599 HG23 VAL 77 3HG2 VAL 77 11.252 -1.285 -10.922 600 H LEU 78 H LEU 78 11.688 0.524 -15.365 601 HA LEU 78 HA LEU 78 9.592 2.319 -16.133 602 HB2 LEU 78 2HB LEU 78 12.314 2.512 -15.832 603 HB3 LEU 78 3HB LEU 78 12.116 2.557 -17.583 604 HG LEU 78 HG LEU 78 11.039 4.484 -15.539 605 HD11 LEU 78 1HD1 LEU 78 12.373 6.080 -16.603 606 HD12 LEU 78 2HD1 LEU 78 12.602 5.070 -18.031 607 HD13 LEU 78 3HD1 LEU 78 13.396 4.646 -16.514 608 HD21 LEU 78 1HD2 LEU 78 9.202 4.543 -16.850 609 HD22 LEU 78 2HD2 LEU 78 10.030 3.824 -18.232 610 HD23 LEU 78 3HD2 LEU 78 10.236 5.539 -17.876 611 H GLY 79 H GLY 79 11.594 -0.078 -17.810 612 HA2 GLY 79 2HA GLY 79 10.834 0.379 -20.426 613 HA3 GLY 79 3HA GLY 79 11.243 -1.203 -19.782 614 H ALA 80 H ALA 80 8.978 -1.060 -17.854 615 HA ALA 80 HA ALA 80 6.992 -2.198 -19.600 616 HB1 ALA 80 1HB ALA 80 7.568 -3.110 -17.340 617 HB2 ALA 80 2HB ALA 80 6.760 -1.708 -16.638 618 HB3 ALA 80 3HB ALA 80 5.845 -2.854 -17.617 619 H LEU 81 H LEU 81 7.059 0.540 -17.319 620 HA LEU 81 HA LEU 81 4.475 1.484 -17.939 621 HB2 LEU 81 2HB LEU 81 6.791 3.131 -16.946 622 HB3 LEU 81 3HB LEU 81 5.072 3.467 -16.744 623 HG LEU 81 HG LEU 81 6.257 0.991 -15.555 624 HD11 LEU 81 1HD1 LEU 81 6.107 3.298 -13.766 625 HD12 LEU 81 2HD1 LEU 81 7.366 3.419 -14.994 626 HD13 LEU 81 3HD1 LEU 81 7.333 2.038 -13.898 627 HD21 LEU 81 1HD2 LEU 81 3.775 2.529 -15.390 628 HD22 LEU 81 2HD2 LEU 81 4.435 2.060 -13.822 629 HD23 LEU 81 3HD2 LEU 81 4.085 0.829 -15.037 630 H LYS 82 H LYS 82 7.679 2.619 -19.008 631 HA LYS 82 HA LYS 82 6.875 4.656 -20.693 632 HB2 LYS 82 2HB LYS 82 9.272 3.355 -20.100 633 HB3 LYS 82 3HB LYS 82 9.080 3.154 -21.837 634 HG2 LYS 82 2HG LYS 82 9.274 5.388 -22.261 635 HG3 LYS 82 3HG LYS 82 8.648 5.856 -20.678 636 HD2 LYS 82 2HD LYS 82 10.895 4.632 -19.901 637 HD3 LYS 82 3HD LYS 82 11.406 5.155 -21.507 638 HE2 LYS 82 2HE LYS 82 10.022 7.294 -20.209 639 HE3 LYS 82 3HE LYS 82 11.274 6.676 -19.132 640 HZ1 LYS 82 1HZ LYS 82 12.742 6.820 -21.231 641 HZ2 LYS 82 2HZ LYS 82 12.399 8.236 -20.372 642 HZ3 LYS 82 3HZ LYS 82 11.560 7.888 -21.800 643 H ALA 83 H ALA 83 6.742 1.212 -21.176 644 HA ALA 83 HA ALA 83 6.094 1.496 -24.003 645 HB1 ALA 83 1HB ALA 83 7.408 -0.367 -23.771 646 HB2 ALA 83 2HB ALA 83 6.717 -0.796 -22.206 647 HB3 ALA 83 3HB ALA 83 5.803 -1.093 -23.684 648 H ALA 84 H ALA 84 4.521 1.114 -20.955 649 HA ALA 84 HA ALA 84 2.077 0.006 -21.898 650 HB1 ALA 84 1HB ALA 84 2.131 1.710 -19.461 651 HB2 ALA 84 2HB ALA 84 1.337 0.159 -19.741 652 HB3 ALA 84 3HB ALA 84 3.078 0.222 -19.468 653 H ARG 85 H ARG 85 2.804 3.309 -20.744 654 HA ARG 85 HA ARG 85 0.409 4.456 -21.631 655 HB2 ARG 85 2HB ARG 85 1.360 6.540 -21.113 656 HB3 ARG 85 3HB ARG 85 2.153 5.415 -20.018 657 HG2 ARG 85 2HG ARG 85 3.795 5.428 -22.237 658 HG3 ARG 85 3HG ARG 85 3.279 7.108 -22.080 659 HD2 ARG 85 2HD ARG 85 3.833 6.554 -19.509 660 HD3 ARG 85 3HD ARG 85 4.967 5.461 -20.302 661 HE ARG 85 HE ARG 85 5.201 8.275 -20.092 662 HH11 ARG 85 1HH1 ARG 85 5.785 5.624 -22.272 663 HH12 ARG 85 2HH1 ARG 85 7.081 6.421 -23.101 664 HH21 ARG 85 1HH2 ARG 85 6.906 9.334 -21.176 665 HH22 ARG 85 2HH2 ARG 85 7.719 8.530 -22.476 666 H GLU 86 H GLU 86 3.192 3.478 -23.367 667 HA GLU 86 HA GLU 86 3.076 5.263 -25.547 668 HB2 GLU 86 2HB GLU 86 4.600 2.987 -24.799 669 HB3 GLU 86 3HB GLU 86 3.972 2.690 -26.414 670 HG2 GLU 86 2HG GLU 86 4.963 5.365 -26.259 671 HG3 GLU 86 3HG GLU 86 6.190 4.243 -25.673 672 H GLU 87 H GLU 87 1.295 2.371 -24.756 673 HA GLU 87 HA GLU 87 -0.294 1.170 -25.895 674 HB2 GLU 87 2HB GLU 87 -2.192 2.458 -26.477 675 HB3 GLU 87 3HB GLU 87 -1.405 3.330 -25.169 676 HG2 GLU 87 2HG GLU 87 -0.511 4.940 -26.666 677 HG3 GLU 87 3HG GLU 87 -0.991 3.990 -28.071 Start of MODEL 13 1 H1 SER 1 H SER 1 4.840 -0.252 -3.266 2 HA SER 1 HA SER 1 3.724 -0.238 -0.880 3 HB2 SER 1 2HB SER 1 1.810 0.938 -0.736 4 HB3 SER 1 3HB SER 1 2.288 1.695 -2.255 5 HG SER 1 HG SER 1 0.198 0.811 -2.401 6 H GLU 2 H GLU 2 1.694 -1.745 -0.640 7 HA GLU 2 HA GLU 2 2.335 -4.181 -1.891 8 HB2 GLU 2 2HB GLU 2 0.226 -5.013 -0.862 9 HB3 GLU 2 3HB GLU 2 1.281 -4.181 0.271 10 HG2 GLU 2 2HG GLU 2 -0.617 -3.153 0.871 11 HG3 GLU 2 3HG GLU 2 -0.257 -2.126 -0.516 12 H ALA 3 H ALA 3 -0.312 -1.887 -2.449 13 HA ALA 3 HA ALA 3 -1.423 -3.432 -4.603 14 HB1 ALA 3 1HB ALA 3 -2.626 -1.075 -4.919 15 HB2 ALA 3 2HB ALA 3 -3.107 -2.229 -3.674 16 HB3 ALA 3 3HB ALA 3 -2.060 -0.871 -3.261 17 H VAL 4 H VAL 4 0.979 -0.972 -4.277 18 HA VAL 4 HA VAL 4 0.895 -0.095 -7.013 19 HB VAL 4 HB VAL 4 2.961 0.318 -4.850 20 HG11 VAL 4 1HG1 VAL 4 4.366 0.926 -6.465 21 HG12 VAL 4 2HG1 VAL 4 3.113 0.780 -7.699 22 HG13 VAL 4 3HG1 VAL 4 3.285 2.282 -6.790 23 HG21 VAL 4 1HG2 VAL 4 0.929 1.454 -4.328 24 HG22 VAL 4 2HG2 VAL 4 2.068 2.658 -4.931 25 HG23 VAL 4 3HG2 VAL 4 0.778 2.063 -5.976 26 H ILE 5 H ILE 5 2.955 -2.253 -5.098 27 HA ILE 5 HA ILE 5 4.759 -2.863 -7.199 28 HB ILE 5 HB ILE 5 4.100 -4.434 -4.705 29 HG12 ILE 5 2HG1 ILE 5 6.593 -2.829 -5.147 30 HG13 ILE 5 3HG1 ILE 5 5.116 -2.017 -4.640 31 HG21 ILE 5 1HG2 ILE 5 5.158 -6.051 -5.899 32 HG22 ILE 5 2HG2 ILE 5 6.012 -4.895 -6.919 33 HG23 ILE 5 3HG2 ILE 5 6.580 -5.211 -5.279 34 HD11 ILE 5 1HD1 ILE 5 5.570 -2.554 -2.549 35 HD12 ILE 5 2HD1 ILE 5 5.456 -4.264 -2.968 36 HD13 ILE 5 3HD1 ILE 5 7.008 -3.433 -3.068 37 H LYS 6 H LYS 6 1.608 -4.005 -6.371 38 HA LYS 6 HA LYS 6 1.763 -6.497 -7.767 39 HB2 LYS 6 2HB LYS 6 -0.450 -4.864 -6.576 40 HB3 LYS 6 3HB LYS 6 -0.838 -6.209 -7.641 41 HG2 LYS 6 2HG LYS 6 0.407 -7.722 -6.171 42 HG3 LYS 6 3HG LYS 6 0.766 -6.369 -5.096 43 HD2 LYS 6 2HD LYS 6 -2.057 -6.496 -5.634 44 HD3 LYS 6 3HD LYS 6 -1.477 -8.054 -5.039 45 HE2 LYS 6 2HE LYS 6 -0.321 -6.748 -3.194 46 HE3 LYS 6 3HE LYS 6 -1.273 -5.359 -3.717 47 HZ1 LYS 6 1HZ LYS 6 -2.065 -7.614 -2.152 48 HZ2 LYS 6 2HZ LYS 6 -3.097 -7.373 -3.470 49 HZ3 LYS 6 3HZ LYS 6 -2.838 -6.124 -2.359 50 H VAL 7 H VAL 7 1.094 -3.215 -8.649 51 HA VAL 7 HA VAL 7 -0.180 -3.866 -11.151 52 HB VAL 7 HB VAL 7 0.917 -1.236 -10.145 53 HG11 VAL 7 1HG1 VAL 7 -0.850 -1.832 -12.517 54 HG12 VAL 7 2HG1 VAL 7 -0.429 -0.222 -11.929 55 HG13 VAL 7 3HG1 VAL 7 0.825 -1.282 -12.575 56 HG21 VAL 7 1HG2 VAL 7 -1.318 -2.667 -9.308 57 HG22 VAL 7 2HG2 VAL 7 -0.980 -0.962 -9.009 58 HG23 VAL 7 3HG2 VAL 7 -1.954 -1.438 -10.400 59 H ILE 8 H ILE 8 3.047 -3.218 -10.019 60 HA ILE 8 HA ILE 8 4.088 -2.972 -12.731 61 HB ILE 8 HB ILE 8 5.509 -2.858 -10.068 62 HG12 ILE 8 2HG1 ILE 8 5.424 -0.494 -11.823 63 HG13 ILE 8 3HG1 ILE 8 3.861 -0.977 -11.172 64 HG21 ILE 8 1HG2 ILE 8 7.428 -2.021 -11.362 65 HG22 ILE 8 2HG2 ILE 8 7.001 -3.677 -11.789 66 HG23 ILE 8 3HG2 ILE 8 6.545 -2.347 -12.853 67 HD11 ILE 8 1HD1 ILE 8 4.738 0.595 -9.668 68 HD12 ILE 8 2HD1 ILE 8 4.965 -0.976 -8.899 69 HD13 ILE 8 3HD1 ILE 8 6.328 -0.168 -9.673 70 H SER 9 H SER 9 4.230 -5.170 -9.969 71 HA SER 9 HA SER 9 6.070 -6.984 -11.169 72 HB2 SER 9 2HB SER 9 5.618 -8.423 -9.300 73 HB3 SER 9 3HB SER 9 5.640 -6.767 -8.694 74 HG SER 9 HG SER 9 3.213 -6.996 -9.204 75 H SER 10 H SER 10 2.856 -6.309 -11.799 76 HA SER 10 HA SER 10 2.308 -9.019 -12.794 77 HB2 SER 10 2HB SER 10 0.625 -7.977 -11.271 78 HB3 SER 10 3HB SER 10 0.374 -6.712 -12.474 79 HG SER 10 HG SER 10 -0.950 -8.024 -13.416 80 H ALA 11 H ALA 11 3.122 -5.860 -13.784 81 HA ALA 11 HA ALA 11 2.226 -6.364 -16.535 82 HB1 ALA 11 1HB ALA 11 1.485 -4.250 -15.759 83 HB2 ALA 11 2HB ALA 11 3.085 -3.842 -15.137 84 HB3 ALA 11 3HB ALA 11 2.815 -3.941 -16.877 85 H CYS 12 H CYS 12 5.044 -6.064 -14.539 86 HA CYS 12 HA CYS 12 6.905 -5.673 -16.680 87 HB2 CYS 12 2HB CYS 12 7.114 -6.259 -13.754 88 HB3 CYS 12 3HB CYS 12 8.527 -6.500 -14.773 89 HG CYS 12 HG CYS 12 8.568 -3.991 -13.388 90 H LYS 13 H LYS 13 5.373 -8.394 -15.206 91 HA LYS 13 HA LYS 13 7.285 -10.327 -16.174 92 HB2 LYS 13 2HB LYS 13 4.502 -10.815 -15.103 93 HB3 LYS 13 3HB LYS 13 5.798 -11.994 -15.253 94 HG2 LYS 13 2HG LYS 13 6.080 -9.556 -13.532 95 HG3 LYS 13 3HG LYS 13 5.325 -11.038 -12.940 96 HD2 LYS 13 2HD LYS 13 7.784 -11.681 -14.256 97 HD3 LYS 13 3HD LYS 13 8.073 -10.414 -13.063 98 HE2 LYS 13 2HE LYS 13 8.336 -12.348 -11.817 99 HE3 LYS 13 3HE LYS 13 6.660 -11.910 -11.492 100 HZ1 LYS 13 1HZ LYS 13 5.962 -13.500 -13.179 101 HZ2 LYS 13 2HZ LYS 13 6.865 -14.261 -11.969 102 HZ3 LYS 13 3HZ LYS 13 7.572 -13.930 -13.470 103 H THR 14 H THR 14 4.902 -8.526 -17.612 104 HA THR 14 HA THR 14 4.479 -10.560 -19.705 105 HB THR 14 HB THR 14 2.621 -8.335 -18.846 106 HG1 THR 14 HG1 THR 14 2.170 -11.144 -18.910 107 HG21 THR 14 1HG2 THR 14 2.683 -10.057 -21.281 108 HG22 THR 14 2HG2 THR 14 2.209 -8.367 -21.108 109 HG23 THR 14 3HG2 THR 14 1.122 -9.647 -20.571 110 H TYR 15 H TYR 15 5.087 -7.163 -19.001 111 HA TYR 15 HA TYR 15 5.262 -6.387 -21.755 112 HB2 TYR 15 2HB TYR 15 5.885 -5.042 -19.143 113 HB3 TYR 15 3HB TYR 15 6.369 -4.305 -20.667 114 HD1 TYR 15 HD1 TYR 15 4.970 -2.565 -21.230 115 HD2 TYR 15 HD2 TYR 15 3.279 -6.065 -19.499 116 HE1 TYR 15 HE1 TYR 15 2.723 -1.595 -21.477 117 HE2 TYR 15 HE2 TYR 15 1.028 -5.105 -19.742 118 HH TYR 15 HH TYR 15 0.171 -2.886 -21.659 119 H CYS 16 H CYS 16 7.698 -6.587 -19.154 120 HA CYS 16 HA CYS 16 9.956 -6.157 -20.678 121 HB2 CYS 16 2HB CYS 16 9.736 -8.052 -18.331 122 HB3 CYS 16 3HB CYS 16 11.208 -7.289 -18.920 123 HG CYS 16 HG CYS 16 10.820 -5.788 -16.769 124 H GLY 17 H GLY 17 8.421 -9.280 -19.920 125 HA2 GLY 17 2HA GLY 17 8.275 -11.139 -21.328 126 HA3 GLY 17 3HA GLY 17 9.374 -10.348 -22.448 127 H LYS 18 H LYS 18 9.164 -12.183 -19.455 128 HA LYS 18 HA LYS 18 10.660 -13.495 -18.349 129 HB2 LYS 18 2HB LYS 18 10.593 -14.489 -20.743 130 HB3 LYS 18 3HB LYS 18 12.188 -13.770 -20.922 131 HG2 LYS 18 2HG LYS 18 12.498 -15.073 -18.579 132 HG3 LYS 18 3HG LYS 18 11.333 -16.124 -19.387 133 HD2 LYS 18 2HD LYS 18 12.863 -16.106 -21.384 134 HD3 LYS 18 3HD LYS 18 14.055 -15.287 -20.373 135 HE2 LYS 18 2HE LYS 18 13.731 -17.245 -18.749 136 HE3 LYS 18 3HE LYS 18 12.942 -18.062 -20.098 137 HZ1 LYS 18 1HZ LYS 18 15.596 -16.868 -20.500 138 HZ2 LYS 18 2HZ LYS 18 14.888 -18.194 -21.275 139 HZ3 LYS 18 3HZ LYS 18 15.477 -18.352 -19.697 140 H THR 19 H THR 19 11.168 -10.736 -18.216 141 HA THR 19 HA THR 19 13.970 -10.796 -17.502 142 HB THR 19 HB THR 19 13.740 -8.333 -18.859 143 HG1 THR 19 HG1 THR 19 12.919 -8.808 -20.787 144 HG21 THR 19 1HG2 THR 19 15.863 -9.227 -18.737 145 HG22 THR 19 2HG2 THR 19 15.440 -9.598 -20.408 146 HG23 THR 19 3HG2 THR 19 15.321 -10.848 -19.170 147 H SER 20 H SER 20 11.193 -10.378 -16.358 148 HA SER 20 HA SER 20 11.022 -7.676 -15.497 149 HB2 SER 20 2HB SER 20 9.678 -9.277 -13.613 150 HB3 SER 20 3HB SER 20 8.973 -8.433 -14.993 151 HG SER 20 HG SER 20 9.980 -11.085 -14.934 152 HA PRO 21 HA PRO 21 13.743 -7.493 -12.063 153 HB2 PRO 21 2HB PRO 21 12.321 -6.032 -10.270 154 HB3 PRO 21 3HB PRO 21 13.026 -5.335 -11.732 155 HG2 PRO 21 2HG PRO 21 10.210 -6.210 -11.220 156 HG3 PRO 21 3HG PRO 21 10.796 -4.751 -12.040 157 HD2 PRO 21 2HD PRO 21 9.907 -6.924 -13.390 158 HD3 PRO 21 3HD PRO 21 11.190 -5.869 -14.017 159 H SER 22 H SER 22 13.469 -7.516 -9.431 160 HA SER 22 HA SER 22 12.168 -10.096 -8.869 161 HB2 SER 22 2HB SER 22 14.805 -9.324 -8.474 162 HB3 SER 22 3HB SER 22 14.088 -9.188 -6.869 163 HG SER 22 HG SER 22 14.977 -11.326 -7.625 164 H LYS 23 H LYS 23 10.778 -10.309 -7.178 165 HA LYS 23 HA LYS 23 9.268 -8.168 -6.313 166 HB2 LYS 23 2HB LYS 23 8.825 -10.711 -6.131 167 HB3 LYS 23 3HB LYS 23 9.662 -10.599 -4.588 168 HG2 LYS 23 2HG LYS 23 7.510 -8.636 -5.036 169 HG3 LYS 23 3HG LYS 23 7.010 -10.321 -4.870 170 HD2 LYS 23 2HD LYS 23 8.800 -10.088 -2.835 171 HD3 LYS 23 3HD LYS 23 8.106 -8.466 -2.873 172 HE2 LYS 23 2HE LYS 23 5.919 -9.291 -2.523 173 HE3 LYS 23 3HE LYS 23 6.411 -10.950 -2.860 174 HZ1 LYS 23 1HZ LYS 23 6.586 -11.149 -0.664 175 HZ2 LYS 23 2HZ LYS 23 6.523 -9.480 -0.403 176 HZ3 LYS 23 3HZ LYS 23 7.996 -10.222 -0.778 177 H LYS 24 H LYS 24 12.251 -9.424 -5.015 178 HA LYS 24 HA LYS 24 12.086 -7.899 -2.570 179 HB2 LYS 24 2HB LYS 24 13.260 -10.013 -2.527 180 HB3 LYS 24 3HB LYS 24 14.334 -9.488 -3.817 181 HG2 LYS 24 2HG LYS 24 15.524 -9.359 -1.759 182 HG3 LYS 24 3HG LYS 24 15.187 -7.712 -2.297 183 HD2 LYS 24 2HD LYS 24 13.608 -7.357 -0.644 184 HD3 LYS 24 3HD LYS 24 13.292 -9.081 -0.433 185 HE2 LYS 24 2HE LYS 24 15.289 -9.400 0.776 186 HE3 LYS 24 3HE LYS 24 15.937 -7.840 0.273 187 HZ1 LYS 24 1HZ LYS 24 13.504 -7.423 1.607 188 HZ2 LYS 24 2HZ LYS 24 15.053 -6.921 2.064 189 HZ3 LYS 24 3HZ LYS 24 14.468 -8.427 2.568 190 H GLU 25 H GLU 25 13.557 -7.570 -5.732 191 HA GLU 25 HA GLU 25 15.244 -5.374 -5.060 192 HB2 GLU 25 2HB GLU 25 14.229 -6.450 -7.687 193 HB3 GLU 25 3HB GLU 25 15.294 -5.055 -7.584 194 HG2 GLU 25 2HG GLU 25 16.330 -7.259 -6.045 195 HG3 GLU 25 3HG GLU 25 16.030 -7.732 -7.717 196 H ILE 26 H ILE 26 12.038 -5.651 -6.545 197 HA ILE 26 HA ILE 26 11.578 -3.013 -7.214 198 HB ILE 26 HB ILE 26 9.572 -4.973 -6.095 199 HG12 ILE 26 2HG1 ILE 26 10.102 -4.312 -8.990 200 HG13 ILE 26 3HG1 ILE 26 10.915 -5.636 -8.163 201 HG21 ILE 26 1HG2 ILE 26 7.933 -3.589 -7.379 202 HG22 ILE 26 2HG2 ILE 26 8.644 -2.779 -5.984 203 HG23 ILE 26 3HG2 ILE 26 9.211 -2.396 -7.609 204 HD11 ILE 26 1HD1 ILE 26 8.944 -6.324 -9.494 205 HD12 ILE 26 2HD1 ILE 26 8.836 -6.753 -7.786 206 HD13 ILE 26 3HD1 ILE 26 7.930 -5.374 -8.408 207 H GLY 27 H GLY 27 11.047 -4.606 -4.083 208 HA2 GLY 27 2HA GLY 27 9.940 -2.366 -2.770 209 HA3 GLY 27 3HA GLY 27 10.692 -3.747 -1.984 210 H ALA 28 H ALA 28 13.182 -3.112 -3.648 211 HA ALA 28 HA ALA 28 14.312 -1.264 -1.697 212 HB1 ALA 28 1HB ALA 28 15.525 -3.315 -2.068 213 HB2 ALA 28 2HB ALA 28 15.627 -2.982 -3.798 214 HB3 ALA 28 3HB ALA 28 16.485 -1.954 -2.650 215 H MET 29 H MET 29 12.825 -0.976 -4.608 216 HA MET 29 HA MET 29 14.539 1.238 -5.506 217 HB2 MET 29 2HB MET 29 14.070 -0.537 -7.164 218 HB3 MET 29 3HB MET 29 12.350 -0.205 -7.011 219 HG2 MET 29 2HG MET 29 14.135 2.054 -7.712 220 HG3 MET 29 3HG MET 29 13.827 0.831 -8.942 221 HE1 MET 29 1HE MET 29 9.996 0.811 -9.192 222 HE2 MET 29 2HE MET 29 11.269 0.909 -10.408 223 HE3 MET 29 3HE MET 29 11.440 -0.190 -9.038 224 H LEU 30 H LEU 30 11.073 0.416 -5.278 225 HA LEU 30 HA LEU 30 10.030 2.949 -5.630 226 HB2 LEU 30 2HB LEU 30 9.114 0.487 -4.253 227 HB3 LEU 30 3HB LEU 30 8.235 1.978 -3.921 228 HG LEU 30 HG LEU 30 7.119 0.717 -5.656 229 HD11 LEU 30 1HD1 LEU 30 8.064 3.389 -5.934 230 HD12 LEU 30 2HD1 LEU 30 6.551 2.684 -6.500 231 HD13 LEU 30 3HD1 LEU 30 7.981 2.645 -7.531 232 HD21 LEU 30 1HD2 LEU 30 8.304 0.467 -7.879 233 HD22 LEU 30 2HD2 LEU 30 8.833 -0.610 -6.586 234 HD23 LEU 30 3HD2 LEU 30 9.802 0.802 -7.011 235 H SER 31 H SER 31 11.496 1.534 -2.791 236 HA SER 31 HA SER 31 10.659 3.656 -1.030 237 HB2 SER 31 2HB SER 31 12.281 2.540 0.568 238 HB3 SER 31 3HB SER 31 10.970 1.515 -0.016 239 HG SER 31 HG SER 31 13.702 1.437 -0.611 240 H LEU 32 H LEU 32 13.483 2.860 -2.941 241 HA LEU 32 HA LEU 32 15.269 4.716 -1.785 242 HB2 LEU 32 2HB LEU 32 15.673 2.739 -3.433 243 HB3 LEU 32 3HB LEU 32 15.393 3.958 -4.674 244 HG LEU 32 HG LEU 32 17.480 4.310 -2.540 245 HD11 LEU 32 1HD1 LEU 32 17.644 2.179 -4.073 246 HD12 LEU 32 2HD1 LEU 32 19.061 3.171 -3.733 247 HD13 LEU 32 3HD1 LEU 32 18.202 3.355 -5.263 248 HD21 LEU 32 1HD2 LEU 32 16.545 5.793 -4.862 249 HD22 LEU 32 2HD2 LEU 32 18.286 5.512 -4.883 250 HD23 LEU 32 3HD2 LEU 32 17.539 6.321 -3.505 251 H LEU 33 H LEU 33 13.250 4.920 -4.712 252 HA LEU 33 HA LEU 33 13.926 7.460 -5.548 253 HB2 LEU 33 2HB LEU 33 11.152 6.288 -5.622 254 HB3 LEU 33 3HB LEU 33 11.804 7.535 -6.683 255 HG LEU 33 HG LEU 33 12.528 4.610 -6.625 256 HD11 LEU 33 1HD1 LEU 33 10.517 4.975 -7.825 257 HD12 LEU 33 2HD1 LEU 33 11.799 4.799 -9.023 258 HD13 LEU 33 3HD1 LEU 33 11.174 6.400 -8.629 259 HD21 LEU 33 1HD2 LEU 33 14.095 5.114 -8.432 260 HD22 LEU 33 2HD2 LEU 33 14.551 5.936 -6.940 261 HD23 LEU 33 3HD2 LEU 33 13.769 6.836 -8.240 262 H GLN 34 H GLN 34 11.918 6.490 -2.872 263 HA GLN 34 HA GLN 34 10.690 9.029 -2.449 264 HB2 GLN 34 2HB GLN 34 10.990 6.552 -0.771 265 HB3 GLN 34 3HB GLN 34 10.261 8.014 -0.119 266 HG2 GLN 34 2HG GLN 34 8.570 7.952 -1.887 267 HG3 GLN 34 3HG GLN 34 9.294 6.473 -2.517 268 HE21 GLN 34 1HE2 GLN 34 6.740 7.489 -0.915 269 HE22 GLN 34 2HE2 GLN 34 6.459 6.163 0.155 270 H LYS 35 H LYS 35 13.211 7.297 -0.610 271 HA LYS 35 HA LYS 35 13.899 9.417 1.071 272 HB2 LYS 35 2HB LYS 35 16.098 8.186 1.309 273 HB3 LYS 35 3HB LYS 35 14.653 7.245 1.653 274 HG2 LYS 35 2HG LYS 35 14.786 6.158 -0.486 275 HG3 LYS 35 3HG LYS 35 16.135 7.190 -0.967 276 HD2 LYS 35 2HD LYS 35 17.245 5.284 -0.305 277 HD3 LYS 35 3HD LYS 35 17.255 6.221 1.192 278 HE2 LYS 35 2HE LYS 35 14.849 4.808 1.228 279 HE3 LYS 35 3HE LYS 35 16.046 3.661 0.627 280 HZ1 LYS 35 1HZ LYS 35 15.660 4.601 3.263 281 HZ2 LYS 35 2HZ LYS 35 17.224 4.989 2.750 282 HZ3 LYS 35 3HZ LYS 35 16.695 3.382 2.711 283 H GLU 36 H GLU 36 15.099 8.536 -2.129 284 HA GLU 36 HA GLU 36 17.250 10.326 -2.262 285 HB2 GLU 36 2HB GLU 36 15.904 8.543 -4.028 286 HB3 GLU 36 3HB GLU 36 16.057 10.093 -4.843 287 HG2 GLU 36 2HG GLU 36 18.545 9.682 -3.701 288 HG3 GLU 36 3HG GLU 36 18.062 8.090 -4.281 289 H GLY 37 H GLY 37 13.867 10.876 -2.344 290 HA2 GLY 37 2HA GLY 37 12.843 12.975 -2.138 291 HA3 GLY 37 3HA GLY 37 14.338 13.732 -2.669 292 H LEU 38 H LEU 38 13.048 11.085 -4.489 293 HA LEU 38 HA LEU 38 12.653 12.849 -6.760 294 HB2 LEU 38 2HB LEU 38 12.458 9.850 -6.525 295 HB3 LEU 38 3HB LEU 38 12.341 10.763 -8.028 296 HG LEU 38 HG LEU 38 14.790 10.723 -6.271 297 HD11 LEU 38 1HD1 LEU 38 15.485 9.363 -8.501 298 HD12 LEU 38 2HD1 LEU 38 13.817 8.828 -8.295 299 HD13 LEU 38 3HD1 LEU 38 14.983 8.604 -6.991 300 HD21 LEU 38 1HD2 LEU 38 14.171 12.588 -8.056 301 HD22 LEU 38 2HD2 LEU 38 14.826 11.382 -9.163 302 HD23 LEU 38 3HD2 LEU 38 15.821 12.002 -7.844 303 H LEU 39 H LEU 39 10.747 10.345 -5.083 304 HA LEU 39 HA LEU 39 8.317 11.807 -5.873 305 HB2 LEU 39 2HB LEU 39 7.260 9.436 -5.789 306 HB3 LEU 39 3HB LEU 39 8.126 9.967 -7.229 307 HG LEU 39 HG LEU 39 10.135 8.722 -6.315 308 HD11 LEU 39 1HD1 LEU 39 8.029 7.825 -4.378 309 HD12 LEU 39 2HD1 LEU 39 9.661 8.407 -4.051 310 HD13 LEU 39 3HD1 LEU 39 9.420 6.814 -4.768 311 HD21 LEU 39 1HD2 LEU 39 9.536 7.164 -7.778 312 HD22 LEU 39 2HD2 LEU 39 7.916 7.862 -7.796 313 HD23 LEU 39 3HD2 LEU 39 8.298 6.547 -6.684 314 H MET 40 H MET 40 6.421 11.275 -4.474 315 HA MET 40 HA MET 40 7.296 11.187 -1.684 316 HB2 MET 40 2HB MET 40 4.737 12.097 -2.996 317 HB3 MET 40 3HB MET 40 4.914 11.958 -1.252 318 HG2 MET 40 2HG MET 40 7.105 13.443 -1.962 319 HG3 MET 40 3HG MET 40 5.865 14.016 -3.075 320 HE1 MET 40 1HE MET 40 5.967 14.255 1.461 321 HE2 MET 40 2HE MET 40 6.936 13.253 0.382 322 HE3 MET 40 3HE MET 40 7.261 14.982 0.509 323 H SER 41 H SER 41 5.547 9.358 -4.035 324 HA SER 41 HA SER 41 5.156 7.234 -2.069 325 HB2 SER 41 2HB SER 41 3.017 8.822 -3.166 326 HB3 SER 41 3HB SER 41 2.851 7.148 -3.693 327 HG SER 41 HG SER 41 1.838 7.605 -1.653 328 HA PRO 42 HA PRO 42 6.410 4.528 -5.284 329 HB2 PRO 42 2HB PRO 42 4.870 2.335 -4.847 330 HB3 PRO 42 3HB PRO 42 6.204 2.799 -3.785 331 HG2 PRO 42 2HG PRO 42 3.266 3.266 -3.450 332 HG3 PRO 42 3HG PRO 42 4.460 2.747 -2.247 333 HD2 PRO 42 2HD PRO 42 3.583 5.302 -2.420 334 HD3 PRO 42 3HD PRO 42 5.230 4.891 -1.901 335 H SER 43 H SER 43 3.056 5.393 -5.058 336 HA SER 43 HA SER 43 2.277 4.180 -7.544 337 HB2 SER 43 2HB SER 43 0.381 6.125 -6.967 338 HB3 SER 43 3HB SER 43 0.309 4.431 -6.483 339 HG SER 43 HG SER 43 0.588 5.040 -4.500 340 H ASP 44 H ASP 44 4.091 6.862 -6.774 341 HA ASP 44 HA ASP 44 3.195 8.768 -8.650 342 HB2 ASP 44 2HB ASP 44 5.019 8.824 -6.668 343 HB3 ASP 44 3HB ASP 44 6.097 8.650 -8.050 344 H LEU 45 H LEU 45 4.740 5.784 -9.066 345 HA LEU 45 HA LEU 45 6.361 6.227 -11.297 346 HB2 LEU 45 2HB LEU 45 5.188 3.962 -9.931 347 HB3 LEU 45 3HB LEU 45 5.230 3.714 -11.675 348 HG LEU 45 HG LEU 45 7.587 4.284 -9.880 349 HD11 LEU 45 1HD1 LEU 45 6.976 1.833 -11.516 350 HD12 LEU 45 2HD1 LEU 45 6.586 1.988 -9.804 351 HD13 LEU 45 3HD1 LEU 45 8.266 2.053 -10.334 352 HD21 LEU 45 1HD2 LEU 45 7.221 4.628 -12.732 353 HD22 LEU 45 2HD2 LEU 45 8.496 3.465 -12.369 354 HD23 LEU 45 3HD2 LEU 45 8.575 5.096 -11.702 355 H TYR 46 H TYR 46 2.949 6.274 -10.984 356 HA TYR 46 HA TYR 46 2.420 5.771 -13.784 357 HB2 TYR 46 2HB TYR 46 0.501 6.837 -11.709 358 HB3 TYR 46 3HB TYR 46 0.103 6.049 -13.232 359 HD1 TYR 46 HD1 TYR 46 1.958 3.732 -13.148 360 HD2 TYR 46 HD2 TYR 46 -0.471 5.444 -10.103 361 HE1 TYR 46 HE1 TYR 46 1.870 1.556 -12.004 362 HE2 TYR 46 HE2 TYR 46 -0.564 3.273 -8.949 363 HH TYR 46 HH TYR 46 1.393 0.948 -9.242 364 H SER 47 H SER 47 3.831 8.256 -12.342 365 HA SER 47 HA SER 47 2.415 10.318 -13.892 366 HB2 SER 47 2HB SER 47 2.981 10.439 -11.280 367 HB3 SER 47 3HB SER 47 4.502 11.074 -11.907 368 HG SER 47 HG SER 47 3.237 12.614 -13.087 369 HA PRO 48 HA PRO 48 6.171 9.643 -16.408 370 HB2 PRO 48 2HB PRO 48 5.001 10.425 -18.729 371 HB3 PRO 48 3HB PRO 48 4.851 8.787 -18.082 372 HG2 PRO 48 2HG PRO 48 2.927 11.074 -17.913 373 HG3 PRO 48 3HG PRO 48 2.604 9.364 -18.251 374 HD2 PRO 48 2HD PRO 48 2.201 10.468 -15.812 375 HD3 PRO 48 3HD PRO 48 2.697 8.776 -16.024 376 H GLY 49 H GLY 49 6.514 11.682 -14.862 377 HA2 GLY 49 2HA GLY 49 7.163 13.871 -16.677 378 HA3 GLY 49 3HA GLY 49 6.087 14.259 -15.343 379 H SER 50 H SER 50 8.266 11.823 -14.522 380 HA SER 50 HA SER 50 10.242 13.727 -13.484 381 HB2 SER 50 2HB SER 50 8.502 11.886 -11.906 382 HB3 SER 50 3HB SER 50 10.167 12.115 -11.371 383 HG SER 50 HG SER 50 8.579 14.348 -11.992 384 H TRP 51 H TRP 51 9.729 11.156 -15.350 385 HA TRP 51 HA TRP 51 11.652 9.267 -14.501 386 HB2 TRP 51 2HB TRP 51 10.545 9.829 -17.260 387 HB3 TRP 51 3HB TRP 51 11.519 8.423 -16.839 388 HD1 TRP 51 HD1 TRP 51 9.759 8.358 -13.893 389 HE1 TRP 51 HE1 TRP 51 7.518 7.096 -14.004 390 HE3 TRP 51 HE3 TRP 51 9.080 8.353 -18.960 391 HZ2 TRP 51 HZ2 TRP 51 5.704 6.214 -15.978 392 HZ3 TRP 51 HZ3 TRP 51 7.066 7.279 -19.879 393 HH2 TRP 51 HH2 TRP 51 5.414 6.231 -18.417 394 H ASP 52 H ASP 52 11.892 12.282 -16.177 395 HA ASP 52 HA ASP 52 14.392 11.881 -17.437 396 HB2 ASP 52 2HB ASP 52 12.602 14.145 -16.887 397 HB3 ASP 52 3HB ASP 52 14.309 14.579 -16.948 398 HA PRO 53 HA PRO 53 16.335 14.078 -13.607 399 HB2 PRO 53 2HB PRO 53 14.728 14.527 -11.465 400 HB3 PRO 53 3HB PRO 53 14.914 15.686 -12.787 401 HG2 PRO 53 2HG PRO 53 12.729 13.697 -12.304 402 HG3 PRO 53 3HG PRO 53 12.608 15.386 -12.831 403 HD2 PRO 53 2HD PRO 53 12.423 13.305 -14.554 404 HD3 PRO 53 3HD PRO 53 13.118 14.871 -15.019 405 H ILE 54 H ILE 54 14.114 11.466 -13.405 406 HA ILE 54 HA ILE 54 15.334 10.348 -11.009 407 HB ILE 54 HB ILE 54 13.032 9.480 -12.740 408 HG12 ILE 54 2HG1 ILE 54 13.154 10.001 -9.768 409 HG13 ILE 54 3HG1 ILE 54 12.782 11.255 -10.946 410 HG21 ILE 54 1HG2 ILE 54 14.055 7.421 -12.264 411 HG22 ILE 54 2HG2 ILE 54 14.481 7.916 -10.626 412 HG23 ILE 54 3HG2 ILE 54 12.797 7.597 -11.041 413 HD11 ILE 54 1HD1 ILE 54 10.805 10.081 -11.639 414 HD12 ILE 54 2HD1 ILE 54 11.205 8.718 -10.592 415 HD13 ILE 54 3HD1 ILE 54 10.786 10.279 -9.887 416 H THR 55 H THR 55 14.941 9.502 -14.439 417 HA THR 55 HA THR 55 16.433 7.121 -14.369 418 HB THR 55 HB THR 55 15.957 9.024 -16.671 419 HG1 THR 55 HG1 THR 55 14.063 8.056 -15.826 420 HG21 THR 55 1HG2 THR 55 17.783 7.760 -17.389 421 HG22 THR 55 2HG2 THR 55 16.400 6.849 -17.996 422 HG23 THR 55 3HG2 THR 55 17.238 6.314 -16.540 423 H ALA 56 H ALA 56 17.381 10.476 -14.931 424 HA ALA 56 HA ALA 56 20.104 9.837 -15.556 425 HB1 ALA 56 1HB ALA 56 19.402 11.831 -16.512 426 HB2 ALA 56 2HB ALA 56 18.613 12.379 -15.033 427 HB3 ALA 56 3HB ALA 56 20.373 12.371 -15.142 428 H ALA 57 H ALA 57 18.333 10.789 -12.671 429 HA ALA 57 HA ALA 57 20.530 11.364 -11.015 430 HB1 ALA 57 1HB ALA 57 17.706 10.521 -10.464 431 HB2 ALA 57 2HB ALA 57 18.868 10.748 -9.156 432 HB3 ALA 57 3HB ALA 57 18.465 12.095 -10.220 433 H LEU 58 H LEU 58 18.710 8.350 -11.506 434 HA LEU 58 HA LEU 58 20.123 6.789 -9.651 435 HB2 LEU 58 2HB LEU 58 18.701 5.993 -12.185 436 HB3 LEU 58 3HB LEU 58 19.286 4.856 -10.972 437 HG LEU 58 HG LEU 58 17.185 6.968 -10.489 438 HD11 LEU 58 1HD1 LEU 58 16.264 5.360 -11.980 439 HD12 LEU 58 2HD1 LEU 58 15.660 4.985 -10.367 440 HD13 LEU 58 3HD1 LEU 58 16.961 4.022 -11.067 441 HD21 LEU 58 1HD2 LEU 58 16.838 5.887 -8.380 442 HD22 LEU 58 2HD2 LEU 58 18.551 6.285 -8.521 443 HD23 LEU 58 3HD2 LEU 58 18.006 4.626 -8.777 444 H SER 59 H SER 59 20.721 7.500 -13.052 445 HA SER 59 HA SER 59 22.793 5.647 -13.472 446 HB2 SER 59 2HB SER 59 21.879 6.600 -15.419 447 HB3 SER 59 3HB SER 59 22.045 8.243 -14.800 448 HG SER 59 HG SER 59 23.652 7.277 -16.428 449 H GLN 60 H GLN 60 22.716 8.721 -11.876 450 HA GLN 60 HA GLN 60 25.612 8.977 -11.863 451 HB2 GLN 60 2HB GLN 60 24.439 11.035 -12.114 452 HB3 GLN 60 3HB GLN 60 23.386 10.679 -10.752 453 HG2 GLN 60 2HG GLN 60 24.803 11.583 -9.309 454 HG3 GLN 60 3HG GLN 60 26.162 10.670 -9.964 455 HE21 GLN 60 1HE2 GLN 60 27.552 11.638 -11.358 456 HE22 GLN 60 2HE2 GLN 60 27.471 13.307 -11.795 457 H ARG 61 H ARG 61 22.976 8.306 -9.606 458 HA ARG 61 HA ARG 61 24.354 8.298 -7.213 459 HB2 ARG 61 2HB ARG 61 21.830 7.851 -7.778 460 HB3 ARG 61 3HB ARG 61 22.327 6.164 -7.758 461 HG2 ARG 61 2HG ARG 61 23.332 6.720 -5.450 462 HG3 ARG 61 3HG ARG 61 22.294 8.145 -5.520 463 HD2 ARG 61 2HD ARG 61 20.334 6.814 -5.668 464 HD3 ARG 61 3HD ARG 61 21.272 5.348 -5.949 465 HE ARG 61 HE ARG 61 21.499 5.126 -3.691 466 HH11 ARG 61 1HH1 ARG 61 20.662 8.429 -4.408 467 HH12 ARG 61 2HH1 ARG 61 20.498 8.885 -2.744 468 HH21 ARG 61 1HH2 ARG 61 21.285 5.715 -1.498 469 HH22 ARG 61 2HH2 ARG 61 20.853 7.341 -1.090 470 H ALA 62 H ALA 62 23.990 5.643 -9.543 471 HA ALA 62 HA ALA 62 25.320 3.653 -8.127 472 HB1 ALA 62 1HB ALA 62 24.910 4.158 -11.048 473 HB2 ALA 62 2HB ALA 62 25.896 2.800 -10.501 474 HB3 ALA 62 3HB ALA 62 24.203 2.912 -10.018 475 H MET 63 H MET 63 26.567 6.439 -9.759 476 HA MET 63 HA MET 63 29.292 5.423 -9.779 477 HB2 MET 63 2HB MET 63 28.153 8.099 -10.603 478 HB3 MET 63 3HB MET 63 29.841 7.635 -10.773 479 HG2 MET 63 2HG MET 63 29.020 5.700 -12.183 480 HG3 MET 63 3HG MET 63 27.454 6.506 -12.195 481 HE1 MET 63 1HE MET 63 28.082 9.746 -14.171 482 HE2 MET 63 2HE MET 63 26.891 8.655 -13.465 483 HE3 MET 63 3HE MET 63 28.006 9.538 -12.422 484 H ILE 64 H ILE 64 27.539 8.166 -8.327 485 HA ILE 64 HA ILE 64 29.628 9.104 -6.726 486 HB ILE 64 HB ILE 64 26.665 9.242 -6.153 487 HG12 ILE 64 2HG1 ILE 64 28.489 11.186 -7.586 488 HG13 ILE 64 3HG1 ILE 64 27.268 10.174 -8.350 489 HG21 ILE 64 1HG2 ILE 64 27.181 10.310 -4.280 490 HG22 ILE 64 2HG2 ILE 64 28.893 10.029 -4.594 491 HG23 ILE 64 3HG2 ILE 64 28.115 11.492 -5.197 492 HD11 ILE 64 1HD1 ILE 64 25.532 11.346 -7.071 493 HD12 ILE 64 2HD1 ILE 64 26.773 12.390 -6.379 494 HD13 ILE 64 3HD1 ILE 64 26.456 12.427 -8.113 495 H LEU 65 H LEU 65 26.915 6.975 -5.816 496 HA LEU 65 HA LEU 65 28.066 6.400 -3.247 497 HB2 LEU 65 2HB LEU 65 25.576 5.869 -4.649 498 HB3 LEU 65 3HB LEU 65 26.136 4.477 -3.724 499 HG LEU 65 HG LEU 65 26.201 6.985 -2.221 500 HD11 LEU 65 1HD1 LEU 65 24.259 7.677 -3.258 501 HD12 LEU 65 2HD1 LEU 65 23.638 6.755 -1.889 502 HD13 LEU 65 3HD1 LEU 65 23.673 6.031 -3.496 503 HD21 LEU 65 1HD2 LEU 65 26.535 5.043 -0.987 504 HD22 LEU 65 2HD2 LEU 65 25.255 4.169 -1.829 505 HD23 LEU 65 3HD2 LEU 65 24.845 5.436 -0.671 506 H GLY 66 H GLY 66 27.404 4.434 -6.153 507 HA2 GLY 66 2HA GLY 66 29.196 3.017 -7.016 508 HA3 GLY 66 3HA GLY 66 29.665 2.711 -5.350 509 H LYS 67 H LYS 67 26.349 2.732 -6.505 510 HA LYS 67 HA LYS 67 26.266 -0.195 -6.388 511 HB2 LYS 67 2HB LYS 67 24.053 0.057 -5.118 512 HB3 LYS 67 3HB LYS 67 25.541 0.290 -4.209 513 HG2 LYS 67 2HG LYS 67 25.088 2.440 -3.775 514 HG3 LYS 67 3HG LYS 67 24.441 2.736 -5.391 515 HD2 LYS 67 2HD LYS 67 22.498 2.917 -4.235 516 HD3 LYS 67 3HD LYS 67 22.499 1.164 -4.435 517 HE2 LYS 67 2HE LYS 67 24.030 1.930 -2.118 518 HE3 LYS 67 3HE LYS 67 22.404 2.607 -2.039 519 HZ1 LYS 67 1HZ LYS 67 21.448 0.490 -2.160 520 HZ2 LYS 67 2HZ LYS 67 22.733 0.309 -1.076 521 HZ3 LYS 67 3HZ LYS 67 22.885 -0.244 -2.668 522 H SER 68 H SER 68 25.367 -0.926 -8.188 523 HA SER 68 HA SER 68 23.567 0.834 -9.694 524 HB2 SER 68 2HB SER 68 24.083 -0.504 -11.631 525 HB3 SER 68 3HB SER 68 25.602 -0.115 -10.824 526 HG SER 68 HG SER 68 25.607 -2.290 -11.323 527 H GLY 69 H GLY 69 22.784 -0.752 -7.316 528 HA2 GLY 69 2HA GLY 69 21.274 -3.009 -8.127 529 HA3 GLY 69 3HA GLY 69 21.078 -2.125 -6.621 530 H GLU 70 H GLU 70 19.961 0.066 -6.899 531 HA GLU 70 HA GLU 70 17.364 -0.304 -7.743 532 HB2 GLU 70 2HB GLU 70 18.607 1.641 -6.380 533 HB3 GLU 70 3HB GLU 70 18.443 2.457 -7.929 534 HG2 GLU 70 2HG GLU 70 15.949 1.301 -7.413 535 HG3 GLU 70 3HG GLU 70 16.482 2.006 -5.887 536 H LEU 71 H LEU 71 20.063 1.140 -9.521 537 HA LEU 71 HA LEU 71 18.746 2.075 -11.757 538 HB2 LEU 71 2HB LEU 71 21.465 1.204 -11.117 539 HB3 LEU 71 3HB LEU 71 21.050 1.055 -12.823 540 HG LEU 71 HG LEU 71 20.940 3.586 -11.183 541 HD11 LEU 71 1HD1 LEU 71 22.673 3.652 -13.462 542 HD12 LEU 71 2HD1 LEU 71 23.108 2.300 -12.417 543 HD13 LEU 71 3HD1 LEU 71 23.050 3.936 -11.763 544 HD21 LEU 71 1HD2 LEU 71 20.128 2.934 -13.991 545 HD22 LEU 71 2HD2 LEU 71 20.676 4.555 -13.562 546 HD23 LEU 71 3HD2 LEU 71 19.263 3.861 -12.765 547 H LYS 72 H LYS 72 19.638 -1.216 -10.931 548 HA LYS 72 HA LYS 72 19.057 -2.342 -13.481 549 HB2 LYS 72 2HB LYS 72 19.970 -3.267 -10.910 550 HB3 LYS 72 3HB LYS 72 18.704 -4.328 -11.513 551 HG2 LYS 72 2HG LYS 72 21.240 -3.586 -12.957 552 HG3 LYS 72 3HG LYS 72 20.886 -5.132 -12.183 553 HD2 LYS 72 2HD LYS 72 18.762 -4.513 -13.976 554 HD3 LYS 72 3HD LYS 72 20.292 -4.306 -14.831 555 HE2 LYS 72 2HE LYS 72 19.397 -6.758 -13.318 556 HE3 LYS 72 3HE LYS 72 19.485 -6.584 -15.070 557 HZ1 LYS 72 1HZ LYS 72 21.963 -6.002 -14.513 558 HZ2 LYS 72 2HZ LYS 72 21.459 -7.610 -14.657 559 HZ3 LYS 72 3HZ LYS 72 21.648 -6.918 -13.125 560 H THR 73 H THR 73 17.187 -1.712 -10.584 561 HA THR 73 HA THR 73 14.895 -3.212 -11.461 562 HB THR 73 HB THR 73 14.569 -1.106 -9.394 563 HG1 THR 73 HG1 THR 73 16.291 -3.353 -9.128 564 HG21 THR 73 1HG2 THR 73 12.806 -2.384 -8.929 565 HG22 THR 73 2HG2 THR 73 13.874 -3.738 -8.558 566 HG23 THR 73 3HG2 THR 73 13.285 -3.504 -10.204 567 H TRP 74 H TRP 74 16.000 0.096 -11.659 568 HA TRP 74 HA TRP 74 13.499 1.235 -12.405 569 HB2 TRP 74 2HB TRP 74 15.352 2.572 -11.467 570 HB3 TRP 74 3HB TRP 74 16.299 2.261 -12.919 571 HD1 TRP 74 HD1 TRP 74 16.234 4.194 -14.579 572 HE1 TRP 74 HE1 TRP 74 14.577 6.070 -15.176 573 HE3 TRP 74 HE3 TRP 74 12.446 2.984 -11.365 574 HZ2 TRP 74 HZ2 TRP 74 12.004 6.925 -14.388 575 HZ3 TRP 74 HZ3 TRP 74 10.422 4.383 -11.349 576 HH2 TRP 74 HH2 TRP 74 10.207 6.312 -12.830 577 H GLY 75 H GLY 75 16.325 0.108 -14.237 578 HA2 GLY 75 2HA GLY 75 15.461 0.860 -16.789 579 HA3 GLY 75 3HA GLY 75 16.566 -0.463 -16.446 580 H LEU 76 H LEU 76 14.253 -1.580 -14.718 581 HA LEU 76 HA LEU 76 12.933 -2.945 -16.960 582 HB2 LEU 76 2HB LEU 76 13.548 -3.741 -14.139 583 HB3 LEU 76 3HB LEU 76 12.296 -4.575 -15.057 584 HG LEU 76 HG LEU 76 15.219 -4.407 -15.792 585 HD11 LEU 76 1HD1 LEU 76 13.535 -6.484 -14.458 586 HD12 LEU 76 2HD1 LEU 76 15.153 -5.917 -14.046 587 HD13 LEU 76 3HD1 LEU 76 14.915 -6.960 -15.448 588 HD21 LEU 76 1HD2 LEU 76 12.841 -5.630 -17.160 589 HD22 LEU 76 2HD2 LEU 76 14.486 -6.191 -17.457 590 HD23 LEU 76 3HD2 LEU 76 14.044 -4.522 -17.820 591 H VAL 77 H VAL 77 12.223 -1.689 -13.703 592 HA VAL 77 HA VAL 77 9.430 -1.916 -13.875 593 HB VAL 77 HB VAL 77 11.102 -0.005 -12.239 594 HG11 VAL 77 1HG1 VAL 77 9.182 1.035 -11.788 595 HG12 VAL 77 2HG1 VAL 77 8.229 -0.212 -12.595 596 HG13 VAL 77 3HG1 VAL 77 8.714 -0.422 -10.912 597 HG21 VAL 77 1HG2 VAL 77 9.718 -2.514 -11.327 598 HG22 VAL 77 2HG2 VAL 77 11.383 -2.505 -11.907 599 HG23 VAL 77 3HG2 VAL 77 10.942 -1.570 -10.478 600 H LEU 78 H LEU 78 11.646 0.564 -14.964 601 HA LEU 78 HA LEU 78 9.577 2.483 -15.530 602 HB2 LEU 78 2HB LEU 78 11.941 3.062 -14.937 603 HB3 LEU 78 3HB LEU 78 12.420 2.460 -16.523 604 HG LEU 78 HG LEU 78 12.050 5.025 -16.088 605 HD11 LEU 78 1HD1 LEU 78 12.732 4.475 -18.209 606 HD12 LEU 78 2HD1 LEU 78 11.115 5.100 -18.530 607 HD13 LEU 78 3HD1 LEU 78 11.392 3.359 -18.471 608 HD21 LEU 78 1HD2 LEU 78 9.900 5.844 -16.354 609 HD22 LEU 78 2HD2 LEU 78 9.649 4.443 -15.311 610 HD23 LEU 78 3HD2 LEU 78 9.297 4.333 -17.036 611 H GLY 79 H GLY 79 11.102 -0.138 -17.187 612 HA2 GLY 79 2HA GLY 79 10.512 0.712 -19.848 613 HA3 GLY 79 3HA GLY 79 10.945 -0.917 -19.350 614 H ALA 80 H ALA 80 9.059 -1.896 -17.893 615 HA ALA 80 HA ALA 80 6.968 -2.538 -19.561 616 HB1 ALA 80 1HB ALA 80 5.809 -3.385 -17.572 617 HB2 ALA 80 2HB ALA 80 7.515 -3.833 -17.580 618 HB3 ALA 80 3HB ALA 80 6.952 -2.521 -16.545 619 H LEU 81 H LEU 81 7.233 0.154 -17.325 620 HA LEU 81 HA LEU 81 4.501 0.939 -17.455 621 HB2 LEU 81 2HB LEU 81 7.028 2.273 -16.558 622 HB3 LEU 81 3HB LEU 81 5.517 3.175 -16.650 623 HG LEU 81 HG LEU 81 6.029 0.745 -14.935 624 HD11 LEU 81 1HD1 LEU 81 5.766 2.369 -13.079 625 HD12 LEU 81 2HD1 LEU 81 5.771 3.672 -14.267 626 HD13 LEU 81 3HD1 LEU 81 7.198 2.655 -14.069 627 HD21 LEU 81 1HD2 LEU 81 3.791 1.654 -13.936 628 HD22 LEU 81 2HD2 LEU 81 3.772 0.598 -15.350 629 HD23 LEU 81 3HD2 LEU 81 3.584 2.341 -15.547 630 H LYS 82 H LYS 82 7.439 2.021 -19.122 631 HA LYS 82 HA LYS 82 6.416 4.140 -20.569 632 HB2 LYS 82 2HB LYS 82 8.800 2.717 -20.521 633 HB3 LYS 82 3HB LYS 82 8.219 2.501 -22.167 634 HG2 LYS 82 2HG LYS 82 8.945 4.518 -22.697 635 HG3 LYS 82 3HG LYS 82 7.890 5.232 -21.475 636 HD2 LYS 82 2HD LYS 82 9.828 4.397 -19.864 637 HD3 LYS 82 3HD LYS 82 10.782 4.558 -21.341 638 HE2 LYS 82 2HE LYS 82 8.987 6.812 -20.737 639 HE3 LYS 82 3HE LYS 82 10.310 6.575 -19.597 640 HZ1 LYS 82 1HZ LYS 82 11.835 7.185 -21.108 641 HZ2 LYS 82 2HZ LYS 82 10.534 7.962 -21.859 642 HZ3 LYS 82 3HZ LYS 82 11.037 6.441 -22.401 643 H ALA 83 H ALA 83 6.321 0.687 -21.343 644 HA ALA 83 HA ALA 83 5.007 1.071 -23.859 645 HB1 ALA 83 1HB ALA 83 5.996 -0.935 -24.018 646 HB2 ALA 83 2HB ALA 83 5.972 -1.197 -22.274 647 HB3 ALA 83 3HB ALA 83 4.532 -1.533 -23.236 648 H ALA 84 H ALA 84 3.990 0.875 -20.583 649 HA ALA 84 HA ALA 84 1.413 -0.161 -20.833 650 HB1 ALA 84 1HB ALA 84 2.890 0.727 -18.762 651 HB2 ALA 84 2HB ALA 84 1.739 2.055 -18.920 652 HB3 ALA 84 3HB ALA 84 1.158 0.409 -18.668 653 H ARG 85 H ARG 85 2.612 3.133 -21.292 654 HA ARG 85 HA ARG 85 -0.063 4.079 -21.959 655 HB2 ARG 85 2HB ARG 85 0.932 6.292 -22.039 656 HB3 ARG 85 3HB ARG 85 1.406 5.478 -20.554 657 HG2 ARG 85 2HG ARG 85 3.430 4.822 -22.299 658 HG3 ARG 85 3HG ARG 85 3.038 6.488 -22.733 659 HD2 ARG 85 2HD ARG 85 3.132 6.954 -20.211 660 HD3 ARG 85 3HD ARG 85 3.945 5.394 -20.089 661 HE ARG 85 HE ARG 85 5.822 6.327 -21.031 662 HH11 ARG 85 1HH1 ARG 85 3.128 8.502 -21.390 663 HH12 ARG 85 2HH1 ARG 85 4.102 9.825 -21.942 664 HH21 ARG 85 1HH2 ARG 85 7.115 8.060 -21.757 665 HH22 ARG 85 2HH2 ARG 85 6.369 9.572 -22.151 666 H GLU 86 H GLU 86 3.005 3.348 -23.488 667 HA GLU 86 HA GLU 86 3.684 3.327 -25.666 668 HB2 GLU 86 2HB GLU 86 0.875 2.351 -25.682 669 HB3 GLU 86 3HB GLU 86 1.608 2.718 -27.238 670 HG2 GLU 86 2HG GLU 86 3.253 1.091 -25.429 671 HG3 GLU 86 3HG GLU 86 1.770 0.329 -26.000 672 H GLU 87 H GLU 87 4.023 5.678 -25.490 673 HA GLU 87 HA GLU 87 3.914 7.788 -26.333 674 HB2 GLU 87 2HB GLU 87 3.772 6.225 -28.461 675 HB3 GLU 87 3HB GLU 87 2.145 6.882 -28.561 676 HG2 GLU 87 2HG GLU 87 3.566 9.148 -28.208 677 HG3 GLU 87 3HG GLU 87 4.737 8.159 -29.080 Start of MODEL 14 1 H1 SER 1 H SER 1 2.676 -0.919 1.645 2 HA SER 1 HA SER 1 1.982 -0.212 -0.515 3 HB2 SER 1 2HB SER 1 4.269 -0.479 -2.120 4 HB3 SER 1 3HB SER 1 3.494 1.024 -1.619 5 HG SER 1 HG SER 1 5.624 -0.346 -0.347 6 H GLU 2 H GLU 2 0.878 -1.885 -1.266 7 HA GLU 2 HA GLU 2 2.345 -4.357 -1.921 8 HB2 GLU 2 2HB GLU 2 1.033 -5.094 -0.182 9 HB3 GLU 2 3HB GLU 2 -0.241 -3.927 -0.505 10 HG2 GLU 2 2HG GLU 2 -1.262 -5.252 -2.054 11 HG3 GLU 2 3HG GLU 2 0.233 -6.071 -2.502 12 H ALA 3 H ALA 3 -0.808 -2.826 -2.601 13 HA ALA 3 HA ALA 3 -1.213 -4.047 -5.080 14 HB1 ALA 3 1HB ALA 3 -3.166 -3.120 -4.471 15 HB2 ALA 3 2HB ALA 3 -2.387 -1.792 -3.610 16 HB3 ALA 3 3HB ALA 3 -2.571 -1.719 -5.363 17 H VAL 4 H VAL 4 0.257 -0.916 -4.285 18 HA VAL 4 HA VAL 4 0.653 0.035 -6.871 19 HB VAL 4 HB VAL 4 1.019 1.336 -4.762 20 HG11 VAL 4 1HG1 VAL 4 3.216 1.220 -3.691 21 HG12 VAL 4 2HG1 VAL 4 2.354 -0.314 -3.558 22 HG13 VAL 4 3HG1 VAL 4 3.655 -0.131 -4.735 23 HG21 VAL 4 1HG2 VAL 4 1.889 1.899 -7.138 24 HG22 VAL 4 2HG2 VAL 4 2.491 2.823 -5.762 25 HG23 VAL 4 3HG2 VAL 4 3.476 1.537 -6.459 26 H ILE 5 H ILE 5 2.259 -2.494 -5.163 27 HA ILE 5 HA ILE 5 4.547 -2.510 -6.961 28 HB ILE 5 HB ILE 5 3.829 -4.397 -4.714 29 HG12 ILE 5 2HG1 ILE 5 5.821 -2.122 -4.837 30 HG13 ILE 5 3HG1 ILE 5 4.308 -2.118 -3.938 31 HG21 ILE 5 1HG2 ILE 5 5.704 -4.660 -6.827 32 HG22 ILE 5 2HG2 ILE 5 6.599 -4.398 -5.331 33 HG23 ILE 5 3HG2 ILE 5 5.446 -5.727 -5.447 34 HD11 ILE 5 1HD1 ILE 5 6.756 -3.774 -3.417 35 HD12 ILE 5 2HD1 ILE 5 6.036 -2.536 -2.387 36 HD13 ILE 5 3HD1 ILE 5 5.202 -4.069 -2.638 37 H LYS 6 H LYS 6 1.891 -4.708 -6.067 38 HA LYS 6 HA LYS 6 2.396 -6.768 -7.831 39 HB2 LYS 6 2HB LYS 6 0.308 -7.545 -7.312 40 HB3 LYS 6 3HB LYS 6 0.498 -6.368 -6.019 41 HG2 LYS 6 2HG LYS 6 -0.665 -4.727 -7.610 42 HG3 LYS 6 3HG LYS 6 -1.138 -6.164 -8.519 43 HD2 LYS 6 2HD LYS 6 -2.427 -6.998 -6.758 44 HD3 LYS 6 3HD LYS 6 -1.629 -5.970 -5.566 45 HE2 LYS 6 2HE LYS 6 -3.756 -5.017 -5.893 46 HE3 LYS 6 3HE LYS 6 -2.641 -4.000 -6.804 47 HZ1 LYS 6 1HZ LYS 6 -4.619 -4.465 -8.088 48 HZ2 LYS 6 2HZ LYS 6 -4.373 -6.131 -7.935 49 HZ3 LYS 6 3HZ LYS 6 -3.278 -5.193 -8.819 50 H VAL 7 H VAL 7 1.006 -3.625 -8.457 51 HA VAL 7 HA VAL 7 -0.104 -4.145 -10.992 52 HB VAL 7 HB VAL 7 1.015 -1.558 -9.902 53 HG11 VAL 7 1HG1 VAL 7 -0.692 -2.137 -12.313 54 HG12 VAL 7 2HG1 VAL 7 -0.532 -0.531 -11.598 55 HG13 VAL 7 3HG1 VAL 7 0.883 -1.346 -12.265 56 HG21 VAL 7 1HG2 VAL 7 -0.834 -1.372 -8.682 57 HG22 VAL 7 2HG2 VAL 7 -1.854 -1.722 -10.078 58 HG23 VAL 7 3HG2 VAL 7 -1.215 -3.043 -9.100 59 H ILE 8 H ILE 8 3.142 -3.245 -9.966 60 HA ILE 8 HA ILE 8 4.090 -2.967 -12.685 61 HB ILE 8 HB ILE 8 5.619 -2.978 -10.080 62 HG12 ILE 8 2HG1 ILE 8 5.456 -0.490 -11.608 63 HG13 ILE 8 3HG1 ILE 8 3.884 -1.062 -11.060 64 HG21 ILE 8 1HG2 ILE 8 6.509 -2.228 -12.862 65 HG22 ILE 8 2HG2 ILE 8 7.458 -2.022 -11.391 66 HG23 ILE 8 3HG2 ILE 8 7.031 -3.641 -11.945 67 HD11 ILE 8 1HD1 ILE 8 4.948 -1.268 -8.760 68 HD12 ILE 8 2HD1 ILE 8 6.274 -0.310 -9.421 69 HD13 ILE 8 3HD1 ILE 8 4.643 0.358 -9.372 70 H SER 9 H SER 9 4.240 -5.336 -10.089 71 HA SER 9 HA SER 9 6.120 -7.046 -11.392 72 HB2 SER 9 2HB SER 9 5.191 -6.871 -8.841 73 HB3 SER 9 3HB SER 9 4.279 -8.262 -9.427 74 HG SER 9 HG SER 9 6.046 -9.323 -9.041 75 H SER 10 H SER 10 2.916 -6.350 -12.007 76 HA SER 10 HA SER 10 2.365 -9.005 -13.136 77 HB2 SER 10 2HB SER 10 0.671 -7.973 -11.599 78 HB3 SER 10 3HB SER 10 0.442 -6.694 -12.791 79 HG SER 10 HG SER 10 -1.046 -8.554 -12.881 80 H ALA 11 H ALA 11 2.765 -5.628 -13.955 81 HA ALA 11 HA ALA 11 1.973 -5.969 -16.705 82 HB1 ALA 11 1HB ALA 11 3.291 -3.596 -16.663 83 HB2 ALA 11 2HB ALA 11 1.585 -3.802 -16.267 84 HB3 ALA 11 3HB ALA 11 2.788 -3.742 -14.979 85 H CYS 12 H CYS 12 5.011 -5.676 -14.918 86 HA CYS 12 HA CYS 12 6.764 -5.512 -17.080 87 HB2 CYS 12 2HB CYS 12 7.012 -6.458 -14.255 88 HB3 CYS 12 3HB CYS 12 8.338 -6.765 -15.370 89 HG CYS 12 HG CYS 12 8.603 -4.407 -13.645 90 H LYS 13 H LYS 13 5.052 -8.228 -15.743 91 HA LYS 13 HA LYS 13 6.631 -10.249 -17.008 92 HB2 LYS 13 2HB LYS 13 3.784 -10.495 -16.033 93 HB3 LYS 13 3HB LYS 13 4.947 -11.794 -16.266 94 HG2 LYS 13 2HG LYS 13 5.329 -9.575 -14.274 95 HG3 LYS 13 3HG LYS 13 4.547 -11.109 -13.889 96 HD2 LYS 13 2HD LYS 13 7.081 -11.485 -15.253 97 HD3 LYS 13 3HD LYS 13 7.261 -10.561 -13.760 98 HE2 LYS 13 2HE LYS 13 6.222 -12.296 -12.483 99 HE3 LYS 13 3HE LYS 13 5.769 -13.172 -13.945 100 HZ1 LYS 13 1HZ LYS 13 7.702 -14.158 -12.891 101 HZ2 LYS 13 2HZ LYS 13 8.546 -12.697 -13.004 102 HZ3 LYS 13 3HZ LYS 13 8.114 -13.535 -14.409 103 H THR 14 H THR 14 4.388 -8.032 -18.160 104 HA THR 14 HA THR 14 3.677 -9.740 -20.449 105 HB THR 14 HB THR 14 2.383 -7.189 -19.468 106 HG1 THR 14 HG1 THR 14 0.641 -8.621 -19.024 107 HG21 THR 14 1HG2 THR 14 0.700 -7.600 -21.214 108 HG22 THR 14 2HG2 THR 14 1.660 -8.953 -21.812 109 HG23 THR 14 3HG2 THR 14 2.297 -7.311 -21.903 110 H TYR 15 H TYR 15 5.394 -6.899 -19.483 111 HA TYR 15 HA TYR 15 5.773 -6.067 -22.267 112 HB2 TYR 15 2HB TYR 15 6.229 -4.731 -19.617 113 HB3 TYR 15 3HB TYR 15 7.035 -4.134 -21.063 114 HD1 TYR 15 HD1 TYR 15 3.669 -4.910 -19.678 115 HD2 TYR 15 HD2 TYR 15 5.922 -2.680 -22.516 116 HE1 TYR 15 HE1 TYR 15 1.653 -3.629 -20.262 117 HE2 TYR 15 HE2 TYR 15 3.912 -1.392 -23.108 118 HH TYR 15 HH TYR 15 0.809 -1.978 -21.480 119 H CYS 16 H CYS 16 7.741 -6.660 -19.353 120 HA CYS 16 HA CYS 16 10.163 -6.837 -20.900 121 HB2 CYS 16 2HB CYS 16 9.446 -6.975 -18.014 122 HB3 CYS 16 3HB CYS 16 10.950 -7.739 -18.513 123 HG CYS 16 HG CYS 16 12.330 -5.570 -18.998 124 H GLY 17 H GLY 17 7.780 -9.029 -19.650 125 HA2 GLY 17 2HA GLY 17 7.455 -11.262 -20.150 126 HA3 GLY 17 3HA GLY 17 8.889 -11.200 -21.163 127 H LYS 18 H LYS 18 10.427 -12.539 -20.529 128 HA LYS 18 HA LYS 18 10.488 -13.469 -17.770 129 HB2 LYS 18 2HB LYS 18 12.185 -15.083 -18.630 130 HB3 LYS 18 3HB LYS 18 10.633 -15.183 -19.451 131 HG2 LYS 18 2HG LYS 18 11.561 -14.758 -21.419 132 HG3 LYS 18 3HG LYS 18 12.398 -13.337 -20.791 133 HD2 LYS 18 2HD LYS 18 14.223 -14.589 -21.290 134 HD3 LYS 18 3HD LYS 18 13.910 -15.241 -19.680 135 HE2 LYS 18 2HE LYS 18 12.756 -16.450 -22.181 136 HE3 LYS 18 3HE LYS 18 14.321 -16.929 -21.528 137 HZ1 LYS 18 1HZ LYS 18 13.243 -18.318 -20.205 138 HZ2 LYS 18 2HZ LYS 18 11.739 -17.736 -20.713 139 HZ3 LYS 18 3HZ LYS 18 12.535 -16.999 -19.416 140 H THR 19 H THR 19 11.185 -10.846 -17.863 141 HA THR 19 HA THR 19 13.955 -10.955 -16.979 142 HB THR 19 HB THR 19 13.855 -8.530 -18.375 143 HG1 THR 19 HG1 THR 19 13.264 -10.567 -20.235 144 HG21 THR 19 1HG2 THR 19 15.244 -11.155 -18.838 145 HG22 THR 19 2HG2 THR 19 15.898 -9.666 -18.156 146 HG23 THR 19 3HG2 THR 19 15.529 -9.760 -19.877 147 H SER 20 H SER 20 11.086 -10.415 -16.017 148 HA SER 20 HA SER 20 10.973 -7.708 -15.192 149 HB2 SER 20 2HB SER 20 9.351 -8.830 -13.411 150 HB3 SER 20 3HB SER 20 8.882 -8.668 -15.104 151 HG SER 20 HG SER 20 9.084 -10.772 -15.380 152 HA PRO 21 HA PRO 21 13.520 -7.542 -11.624 153 HB2 PRO 21 2HB PRO 21 12.049 -6.020 -9.925 154 HB3 PRO 21 3HB PRO 21 12.844 -5.362 -11.360 155 HG2 PRO 21 2HG PRO 21 9.984 -6.157 -10.976 156 HG3 PRO 21 3HG PRO 21 10.648 -4.726 -11.786 157 HD2 PRO 21 2HD PRO 21 9.771 -6.895 -13.149 158 HD3 PRO 21 3HD PRO 21 11.110 -5.883 -13.725 159 H SER 22 H SER 22 13.136 -7.534 -9.016 160 HA SER 22 HA SER 22 11.633 -10.008 -8.464 161 HB2 SER 22 2HB SER 22 14.252 -9.895 -8.261 162 HB3 SER 22 3HB SER 22 13.899 -9.100 -6.727 163 HG SER 22 HG SER 22 12.437 -11.024 -6.424 164 H LYS 23 H LYS 23 10.452 -10.162 -6.551 165 HA LYS 23 HA LYS 23 9.049 -7.939 -5.712 166 HB2 LYS 23 2HB LYS 23 9.133 -10.691 -5.056 167 HB3 LYS 23 3HB LYS 23 9.220 -9.806 -3.538 168 HG2 LYS 23 2HG LYS 23 7.217 -8.472 -4.448 169 HG3 LYS 23 3HG LYS 23 7.050 -9.801 -5.598 170 HD2 LYS 23 2HD LYS 23 7.403 -10.637 -2.807 171 HD3 LYS 23 3HD LYS 23 5.920 -9.732 -3.119 172 HE2 LYS 23 2HE LYS 23 5.382 -11.288 -4.948 173 HE3 LYS 23 3HE LYS 23 6.844 -12.204 -4.583 174 HZ1 LYS 23 1HZ LYS 23 4.292 -12.300 -3.319 175 HZ2 LYS 23 2HZ LYS 23 5.520 -12.010 -2.193 176 HZ3 LYS 23 3HZ LYS 23 5.594 -13.374 -3.192 177 H LYS 24 H LYS 24 12.069 -9.236 -4.496 178 HA LYS 24 HA LYS 24 12.148 -7.540 -2.181 179 HB2 LYS 24 2HB LYS 24 13.305 -9.682 -2.166 180 HB3 LYS 24 3HB LYS 24 14.304 -9.181 -3.524 181 HG2 LYS 24 2HG LYS 24 15.540 -9.041 -1.446 182 HG3 LYS 24 3HG LYS 24 15.310 -7.435 -2.140 183 HD2 LYS 24 2HD LYS 24 13.907 -6.766 -0.472 184 HD3 LYS 24 3HD LYS 24 13.276 -8.392 -0.203 185 HE2 LYS 24 2HE LYS 24 15.641 -8.909 0.696 186 HE3 LYS 24 3HE LYS 24 15.814 -7.158 0.805 187 HZ1 LYS 24 1HZ LYS 24 14.865 -7.383 2.792 188 HZ2 LYS 24 2HZ LYS 24 14.322 -8.953 2.474 189 HZ3 LYS 24 3HZ LYS 24 13.409 -7.624 1.965 190 H GLU 25 H GLU 25 13.363 -7.408 -5.467 191 HA GLU 25 HA GLU 25 15.098 -5.183 -5.058 192 HB2 GLU 25 2HB GLU 25 13.887 -6.404 -7.536 193 HB3 GLU 25 3HB GLU 25 14.971 -5.021 -7.590 194 HG2 GLU 25 2HG GLU 25 15.761 -7.574 -6.238 195 HG3 GLU 25 3HG GLU 25 15.957 -7.346 -7.975 196 H ILE 26 H ILE 26 11.835 -5.513 -6.432 197 HA ILE 26 HA ILE 26 11.368 -2.873 -7.112 198 HB ILE 26 HB ILE 26 9.362 -4.836 -5.993 199 HG12 ILE 26 2HG1 ILE 26 10.013 -4.209 -8.878 200 HG13 ILE 26 3HG1 ILE 26 10.664 -5.593 -8.007 201 HG21 ILE 26 1HG2 ILE 26 8.969 -2.324 -7.613 202 HG22 ILE 26 2HG2 ILE 26 7.703 -3.484 -7.212 203 HG23 ILE 26 3HG2 ILE 26 8.503 -2.573 -5.931 204 HD11 ILE 26 1HD1 ILE 26 8.268 -6.280 -7.590 205 HD12 ILE 26 2HD1 ILE 26 7.817 -5.053 -8.774 206 HD13 ILE 26 3HD1 ILE 26 8.848 -6.402 -9.250 207 H GLY 27 H GLY 27 10.856 -4.476 -3.984 208 HA2 GLY 27 2HA GLY 27 9.750 -2.219 -2.677 209 HA3 GLY 27 3HA GLY 27 10.454 -3.622 -1.889 210 H ALA 28 H ALA 28 12.977 -3.014 -3.538 211 HA ALA 28 HA ALA 28 14.126 -1.217 -1.547 212 HB1 ALA 28 1HB ALA 28 15.490 -3.063 -1.735 213 HB2 ALA 28 2HB ALA 28 15.247 -3.200 -3.476 214 HB3 ALA 28 3HB ALA 28 16.284 -1.929 -2.828 215 H MET 29 H MET 29 12.681 -0.866 -4.470 216 HA MET 29 HA MET 29 14.453 1.324 -5.315 217 HB2 MET 29 2HB MET 29 14.037 -0.402 -7.015 218 HB3 MET 29 3HB MET 29 12.306 -0.122 -6.878 219 HG2 MET 29 2HG MET 29 14.009 2.212 -7.514 220 HG3 MET 29 3HG MET 29 13.803 0.991 -8.767 221 HE1 MET 29 1HE MET 29 9.903 0.781 -8.934 222 HE2 MET 29 2HE MET 29 11.198 0.718 -10.129 223 HE3 MET 29 3HE MET 29 11.339 -0.196 -8.627 224 H LEU 30 H LEU 30 11.030 0.493 -4.848 225 HA LEU 30 HA LEU 30 9.865 2.930 -5.389 226 HB2 LEU 30 2HB LEU 30 9.190 0.665 -3.587 227 HB3 LEU 30 3HB LEU 30 8.278 2.162 -3.411 228 HG LEU 30 HG LEU 30 8.488 0.512 -5.930 229 HD11 LEU 30 1HD1 LEU 30 6.121 0.020 -5.513 230 HD12 LEU 30 2HD1 LEU 30 6.223 0.870 -3.972 231 HD13 LEU 30 3HD1 LEU 30 7.161 -0.600 -4.231 232 HD21 LEU 30 1HD2 LEU 30 6.340 2.260 -6.104 233 HD22 LEU 30 2HD2 LEU 30 7.876 2.385 -6.963 234 HD23 LEU 30 3HD2 LEU 30 7.647 3.236 -5.434 235 H SER 31 H SER 31 10.914 1.787 -2.175 236 HA SER 31 HA SER 31 10.455 4.225 -0.851 237 HB2 SER 31 2HB SER 31 10.735 2.681 0.776 238 HB3 SER 31 3HB SER 31 11.763 1.667 -0.238 239 HG SER 31 HG SER 31 13.347 2.409 0.910 240 H LEU 32 H LEU 32 13.085 3.103 -2.809 241 HA LEU 32 HA LEU 32 15.109 4.838 -1.908 242 HB2 LEU 32 2HB LEU 32 15.122 2.797 -3.574 243 HB3 LEU 32 3HB LEU 32 14.929 4.068 -4.780 244 HG LEU 32 HG LEU 32 17.274 3.352 -4.472 245 HD11 LEU 32 1HD1 LEU 32 16.408 5.771 -5.016 246 HD12 LEU 32 2HD1 LEU 32 18.123 5.457 -4.755 247 HD13 LEU 32 3HD1 LEU 32 17.146 6.147 -3.459 248 HD21 LEU 32 1HD2 LEU 32 18.326 3.298 -2.491 249 HD22 LEU 32 2HD2 LEU 32 16.695 3.256 -1.819 250 HD23 LEU 32 3HD2 LEU 32 17.565 4.787 -1.931 251 H LEU 33 H LEU 33 12.936 5.139 -4.721 252 HA LEU 33 HA LEU 33 13.744 7.689 -5.510 253 HB2 LEU 33 2HB LEU 33 10.926 6.686 -5.765 254 HB3 LEU 33 3HB LEU 33 11.804 7.768 -6.845 255 HG LEU 33 HG LEU 33 12.189 4.796 -6.521 256 HD11 LEU 33 1HD1 LEU 33 10.311 5.307 -7.899 257 HD12 LEU 33 2HD1 LEU 33 11.641 4.837 -8.957 258 HD13 LEU 33 3HD1 LEU 33 11.218 6.540 -8.776 259 HD21 LEU 33 1HD2 LEU 33 13.769 6.731 -8.211 260 HD22 LEU 33 2HD2 LEU 33 13.940 4.976 -8.200 261 HD23 LEU 33 3HD2 LEU 33 14.357 5.912 -6.764 262 H GLN 34 H GLN 34 11.777 6.682 -2.866 263 HA GLN 34 HA GLN 34 10.440 9.184 -2.471 264 HB2 GLN 34 2HB GLN 34 10.822 6.789 -0.673 265 HB3 GLN 34 3HB GLN 34 9.862 8.195 -0.233 266 HG2 GLN 34 2HG GLN 34 8.442 7.780 -2.223 267 HG3 GLN 34 3HG GLN 34 9.353 6.299 -2.512 268 HE21 GLN 34 1HE2 GLN 34 6.843 7.787 -0.752 269 HE22 GLN 34 2HE2 GLN 34 6.392 6.424 0.209 270 H LYS 35 H LYS 35 13.095 7.520 -0.775 271 HA LYS 35 HA LYS 35 13.672 9.675 0.966 272 HB2 LYS 35 2HB LYS 35 15.306 7.295 0.084 273 HB3 LYS 35 3HB LYS 35 15.866 8.450 1.286 274 HG2 LYS 35 2HG LYS 35 14.069 7.878 2.763 275 HG3 LYS 35 3HG LYS 35 13.323 6.857 1.531 276 HD2 LYS 35 2HD LYS 35 15.827 5.796 1.676 277 HD3 LYS 35 3HD LYS 35 15.563 6.301 3.346 278 HE2 LYS 35 2HE LYS 35 13.271 4.949 2.126 279 HE3 LYS 35 3HE LYS 35 14.714 3.944 2.250 280 HZ1 LYS 35 1HZ LYS 35 12.915 4.408 4.238 281 HZ2 LYS 35 2HZ LYS 35 14.199 5.433 4.640 282 HZ3 LYS 35 3HZ LYS 35 14.471 3.775 4.441 283 H GLU 36 H GLU 36 14.967 8.697 -2.171 284 HA GLU 36 HA GLU 36 17.124 10.457 -2.318 285 HB2 GLU 36 2HB GLU 36 15.642 8.768 -4.136 286 HB3 GLU 36 3HB GLU 36 16.080 10.282 -4.916 287 HG2 GLU 36 2HG GLU 36 18.293 9.175 -3.424 288 HG3 GLU 36 3HG GLU 36 17.672 8.036 -4.618 289 H GLY 37 H GLY 37 13.737 11.057 -2.509 290 HA2 GLY 37 2HA GLY 37 12.785 13.204 -2.276 291 HA3 GLY 37 3HA GLY 37 14.286 13.907 -2.862 292 H LEU 38 H LEU 38 12.778 11.249 -4.529 293 HA LEU 38 HA LEU 38 12.403 12.960 -6.856 294 HB2 LEU 38 2HB LEU 38 12.094 9.975 -6.575 295 HB3 LEU 38 3HB LEU 38 12.069 10.884 -8.084 296 HG LEU 38 HG LEU 38 14.482 10.883 -6.296 297 HD11 LEU 38 1HD1 LEU 38 14.896 8.755 -6.749 298 HD12 LEU 38 2HD1 LEU 38 14.894 9.136 -8.470 299 HD13 LEU 38 3HD1 LEU 38 13.401 8.632 -7.677 300 HD21 LEU 38 1HD2 LEU 38 14.938 12.460 -7.847 301 HD22 LEU 38 2HD2 LEU 38 13.780 11.810 -9.009 302 HD23 LEU 38 3HD2 LEU 38 15.366 11.058 -8.828 303 H LEU 39 H LEU 39 10.479 10.373 -5.323 304 HA LEU 39 HA LEU 39 8.061 11.914 -6.003 305 HB2 LEU 39 2HB LEU 39 6.993 9.540 -5.804 306 HB3 LEU 39 3HB LEU 39 7.794 10.045 -7.291 307 HG LEU 39 HG LEU 39 9.843 8.823 -6.457 308 HD11 LEU 39 1HD1 LEU 39 7.863 8.022 -4.359 309 HD12 LEU 39 2HD1 LEU 39 9.536 8.547 -4.173 310 HD13 LEU 39 3HD1 LEU 39 9.181 6.945 -4.820 311 HD21 LEU 39 1HD2 LEU 39 7.708 6.795 -6.685 312 HD22 LEU 39 2HD2 LEU 39 9.202 6.983 -7.604 313 HD23 LEU 39 3HD2 LEU 39 7.802 7.987 -7.982 314 H MET 40 H MET 40 6.205 11.550 -4.550 315 HA MET 40 HA MET 40 7.108 11.555 -1.781 316 HB2 MET 40 2HB MET 40 4.528 12.345 -3.121 317 HB3 MET 40 3HB MET 40 4.680 12.249 -1.372 318 HG2 MET 40 2HG MET 40 6.803 13.787 -1.917 319 HG3 MET 40 3HG MET 40 5.760 14.230 -3.267 320 HE1 MET 40 1HE MET 40 4.778 14.292 1.112 321 HE2 MET 40 2HE MET 40 6.216 13.666 0.304 322 HE3 MET 40 3HE MET 40 6.136 15.366 0.772 323 H SER 41 H SER 41 5.360 9.560 -4.000 324 HA SER 41 HA SER 41 5.094 7.518 -1.931 325 HB2 SER 41 2HB SER 41 2.860 8.965 -3.118 326 HB3 SER 41 3HB SER 41 2.730 7.224 -3.363 327 HG SER 41 HG SER 41 1.801 7.691 -1.404 328 HA PRO 42 HA PRO 42 6.295 4.712 -5.081 329 HB2 PRO 42 2HB PRO 42 4.842 2.498 -4.483 330 HB3 PRO 42 3HB PRO 42 6.206 3.046 -3.501 331 HG2 PRO 42 2HG PRO 42 3.272 3.443 -3.058 332 HG3 PRO 42 3HG PRO 42 4.532 3.012 -1.887 333 HD2 PRO 42 2HD PRO 42 3.571 5.531 -2.130 334 HD3 PRO 42 3HD PRO 42 5.250 5.191 -1.667 335 H SER 43 H SER 43 3.005 5.663 -4.816 336 HA SER 43 HA SER 43 2.090 4.247 -7.155 337 HB2 SER 43 2HB SER 43 0.144 6.044 -6.774 338 HB3 SER 43 3HB SER 43 0.281 4.587 -5.790 339 HG SER 43 HG SER 43 0.142 6.905 -4.823 340 H ASP 44 H ASP 44 3.967 6.954 -6.660 341 HA ASP 44 HA ASP 44 3.014 8.705 -8.666 342 HB2 ASP 44 2HB ASP 44 4.871 8.934 -6.725 343 HB3 ASP 44 3HB ASP 44 5.925 8.659 -8.110 344 H LEU 45 H LEU 45 4.538 5.697 -8.861 345 HA LEU 45 HA LEU 45 6.143 5.947 -11.134 346 HB2 LEU 45 2HB LEU 45 4.981 3.814 -9.571 347 HB3 LEU 45 3HB LEU 45 4.968 3.422 -11.290 348 HG LEU 45 HG LEU 45 7.455 4.002 -11.267 349 HD11 LEU 45 1HD1 LEU 45 8.208 3.342 -8.753 350 HD12 LEU 45 2HD1 LEU 45 6.766 4.304 -8.427 351 HD13 LEU 45 3HD1 LEU 45 8.096 4.995 -9.357 352 HD21 LEU 45 1HD2 LEU 45 8.038 1.790 -10.746 353 HD22 LEU 45 2HD2 LEU 45 6.365 1.699 -11.297 354 HD23 LEU 45 3HD2 LEU 45 6.731 1.630 -9.573 355 H TYR 46 H TYR 46 2.722 5.988 -10.792 356 HA TYR 46 HA TYR 46 2.176 5.300 -13.546 357 HB2 TYR 46 2HB TYR 46 0.284 6.491 -11.513 358 HB3 TYR 46 3HB TYR 46 -0.143 5.643 -12.995 359 HD1 TYR 46 HD1 TYR 46 1.677 3.310 -12.848 360 HD2 TYR 46 HD2 TYR 46 -0.662 5.180 -9.826 361 HE1 TYR 46 HE1 TYR 46 1.587 1.186 -11.611 362 HE2 TYR 46 HE2 TYR 46 -0.757 3.062 -8.580 363 HH TYR 46 HH TYR 46 -0.226 0.907 -8.569 364 H SER 47 H SER 47 3.531 7.916 -12.224 365 HA SER 47 HA SER 47 2.148 9.824 -13.988 366 HB2 SER 47 2HB SER 47 2.535 10.162 -11.373 367 HB3 SER 47 3HB SER 47 4.097 10.760 -11.934 368 HG SER 47 HG SER 47 2.337 12.346 -11.758 369 HA PRO 48 HA PRO 48 6.096 9.039 -16.185 370 HB2 PRO 48 2HB PRO 48 5.044 9.461 -18.652 371 HB3 PRO 48 3HB PRO 48 4.944 7.906 -17.818 372 HG2 PRO 48 2HG PRO 48 2.885 10.068 -18.048 373 HG3 PRO 48 3HG PRO 48 2.685 8.311 -18.192 374 HD2 PRO 48 2HD PRO 48 2.054 9.670 -15.936 375 HD3 PRO 48 3HD PRO 48 2.659 8.001 -15.908 376 H GLY 49 H GLY 49 6.318 11.233 -14.916 377 HA2 GLY 49 2HA GLY 49 6.905 13.242 -16.939 378 HA3 GLY 49 3HA GLY 49 5.752 13.717 -15.701 379 H SER 50 H SER 50 8.096 11.514 -14.612 380 HA SER 50 HA SER 50 9.924 13.617 -13.732 381 HB2 SER 50 2HB SER 50 8.117 12.043 -11.975 382 HB3 SER 50 3HB SER 50 9.772 12.272 -11.410 383 HG SER 50 HG SER 50 9.291 14.257 -10.957 384 H TRP 51 H TRP 51 9.667 10.921 -15.340 385 HA TRP 51 HA TRP 51 11.576 9.197 -14.096 386 HB2 TRP 51 2HB TRP 51 10.543 9.278 -16.939 387 HB3 TRP 51 3HB TRP 51 11.538 7.989 -16.267 388 HD1 TRP 51 HD1 TRP 51 9.654 8.372 -13.409 389 HE1 TRP 51 HE1 TRP 51 7.461 7.025 -13.385 390 HE3 TRP 51 HE3 TRP 51 9.208 7.459 -18.420 391 HZ2 TRP 51 HZ2 TRP 51 5.766 5.745 -15.244 392 HZ3 TRP 51 HZ3 TRP 51 7.272 6.165 -19.215 393 HH2 TRP 51 HH2 TRP 51 5.588 5.326 -17.658 394 H ASP 52 H ASP 52 11.758 11.934 -16.196 395 HA ASP 52 HA ASP 52 14.211 11.512 -17.450 396 HB2 ASP 52 2HB ASP 52 12.470 13.796 -16.893 397 HB3 ASP 52 3HB ASP 52 14.176 14.230 -16.966 398 HA PRO 53 HA PRO 53 16.368 13.734 -13.747 399 HB2 PRO 53 2HB PRO 53 14.878 14.201 -11.526 400 HB3 PRO 53 3HB PRO 53 14.999 15.353 -12.861 401 HG2 PRO 53 2HG PRO 53 12.834 13.376 -12.255 402 HG3 PRO 53 3HG PRO 53 12.693 15.063 -12.783 403 HD2 PRO 53 2HD PRO 53 12.408 12.975 -14.484 404 HD3 PRO 53 3HD PRO 53 13.085 14.536 -14.993 405 H ILE 54 H ILE 54 13.884 11.355 -12.998 406 HA ILE 54 HA ILE 54 15.250 10.191 -10.783 407 HB ILE 54 HB ILE 54 13.014 9.168 -12.527 408 HG12 ILE 54 2HG1 ILE 54 12.966 9.982 -9.621 409 HG13 ILE 54 3HG1 ILE 54 12.647 11.113 -10.931 410 HG21 ILE 54 1HG2 ILE 54 12.725 7.421 -10.759 411 HG22 ILE 54 2HG2 ILE 54 14.167 7.228 -11.756 412 HG23 ILE 54 3HG2 ILE 54 14.303 7.888 -10.126 413 HD11 ILE 54 1HD1 ILE 54 11.042 8.765 -11.256 414 HD12 ILE 54 2HD1 ILE 54 10.830 9.433 -9.638 415 HD13 ILE 54 3HD1 ILE 54 10.546 10.445 -11.054 416 H THR 55 H THR 55 15.048 9.447 -14.232 417 HA THR 55 HA THR 55 16.578 7.044 -14.064 418 HB THR 55 HB THR 55 15.945 8.801 -16.442 419 HG1 THR 55 HG1 THR 55 14.088 7.812 -16.297 420 HG21 THR 55 1HG2 THR 55 17.802 7.600 -17.164 421 HG22 THR 55 2HG2 THR 55 16.460 6.567 -17.656 422 HG23 THR 55 3HG2 THR 55 17.383 6.183 -16.203 423 H ALA 56 H ALA 56 17.322 10.422 -14.721 424 HA ALA 56 HA ALA 56 20.054 9.919 -15.442 425 HB1 ALA 56 1HB ALA 56 20.168 12.118 -15.958 426 HB2 ALA 56 2HB ALA 56 18.409 11.979 -15.920 427 HB3 ALA 56 3HB ALA 56 19.274 12.615 -14.521 428 H ALA 57 H ALA 57 18.319 10.428 -12.497 429 HA ALA 57 HA ALA 57 20.601 11.226 -10.940 430 HB1 ALA 57 1HB ALA 57 19.091 10.948 -9.012 431 HB2 ALA 57 2HB ALA 57 18.397 11.964 -10.276 432 HB3 ALA 57 3HB ALA 57 17.861 10.293 -10.095 433 H LEU 58 H LEU 58 18.547 8.304 -10.917 434 HA LEU 58 HA LEU 58 20.043 6.760 -9.194 435 HB2 LEU 58 2HB LEU 58 18.450 5.926 -11.609 436 HB3 LEU 58 3HB LEU 58 19.093 4.796 -10.420 437 HG LEU 58 HG LEU 58 17.113 6.981 -9.789 438 HD11 LEU 58 1HD1 LEU 58 15.609 5.686 -10.799 439 HD12 LEU 58 2HD1 LEU 58 15.855 4.550 -9.474 440 HD13 LEU 58 3HD1 LEU 58 16.753 4.356 -10.979 441 HD21 LEU 58 1HD2 LEU 58 16.846 5.845 -7.687 442 HD22 LEU 58 2HD2 LEU 58 18.555 6.210 -7.925 443 HD23 LEU 58 3HD2 LEU 58 17.957 4.571 -8.188 444 H SER 59 H SER 59 20.567 7.387 -12.607 445 HA SER 59 HA SER 59 22.584 5.413 -12.976 446 HB2 SER 59 2HB SER 59 21.316 6.358 -14.864 447 HB3 SER 59 3HB SER 59 22.043 7.936 -14.563 448 HG SER 59 HG SER 59 23.597 7.280 -15.800 449 H GLN 60 H GLN 60 22.591 8.786 -12.002 450 HA GLN 60 HA GLN 60 25.411 9.144 -12.185 451 HB2 GLN 60 2HB GLN 60 23.153 10.753 -11.599 452 HB3 GLN 60 3HB GLN 60 24.253 10.893 -10.234 453 HG2 GLN 60 2HG GLN 60 26.071 11.376 -11.931 454 HG3 GLN 60 3HG GLN 60 24.775 11.551 -13.113 455 HE21 GLN 60 1HE2 GLN 60 25.864 13.725 -13.179 456 HE22 GLN 60 2HE2 GLN 60 25.244 14.941 -12.120 457 H ARG 61 H ARG 61 23.306 7.743 -9.842 458 HA ARG 61 HA ARG 61 25.035 8.014 -7.587 459 HB2 ARG 61 2HB ARG 61 22.564 7.624 -7.454 460 HB3 ARG 61 3HB ARG 61 22.842 5.981 -8.015 461 HG2 ARG 61 2HG ARG 61 24.341 5.669 -6.019 462 HG3 ARG 61 3HG ARG 61 23.747 7.225 -5.435 463 HD2 ARG 61 2HD ARG 61 21.441 6.339 -5.540 464 HD3 ARG 61 3HD ARG 61 22.093 4.773 -6.020 465 HE ARG 61 HE ARG 61 23.229 5.723 -3.577 466 HH11 ARG 61 1HH1 ARG 61 20.461 4.132 -4.965 467 HH12 ARG 61 2HH1 ARG 61 20.040 3.304 -3.503 468 HH21 ARG 61 1HH2 ARG 61 22.685 4.639 -1.646 469 HH22 ARG 61 2HH2 ARG 61 21.305 3.594 -1.615 470 H ALA 62 H ALA 62 24.542 5.563 -10.064 471 HA ALA 62 HA ALA 62 26.090 3.520 -8.894 472 HB1 ALA 62 1HB ALA 62 26.348 2.914 -11.465 473 HB2 ALA 62 2HB ALA 62 24.834 2.674 -10.592 474 HB3 ALA 62 3HB ALA 62 25.048 4.098 -11.610 475 H MET 63 H MET 63 26.948 6.413 -10.593 476 HA MET 63 HA MET 63 29.724 5.512 -10.880 477 HB2 MET 63 2HB MET 63 28.518 8.084 -11.897 478 HB3 MET 63 3HB MET 63 30.051 7.363 -12.366 479 HG2 MET 63 2HG MET 63 28.294 5.375 -12.978 480 HG3 MET 63 3HG MET 63 27.343 6.820 -13.317 481 HE1 MET 63 1HE MET 63 29.182 8.563 -16.168 482 HE2 MET 63 2HE MET 63 27.674 8.378 -15.273 483 HE3 MET 63 3HE MET 63 29.116 8.983 -14.456 484 H ILE 64 H ILE 64 28.003 8.460 -9.834 485 HA ILE 64 HA ILE 64 30.106 9.714 -8.555 486 HB ILE 64 HB ILE 64 27.191 9.760 -7.766 487 HG12 ILE 64 2HG1 ILE 64 27.785 10.442 -10.127 488 HG13 ILE 64 3HG1 ILE 64 26.986 11.683 -9.168 489 HG21 ILE 64 1HG2 ILE 64 28.200 12.182 -7.061 490 HG22 ILE 64 2HG2 ILE 64 27.979 10.827 -5.956 491 HG23 ILE 64 3HG2 ILE 64 29.556 11.118 -6.689 492 HD11 ILE 64 1HD1 ILE 64 29.100 12.785 -8.782 493 HD12 ILE 64 2HD1 ILE 64 29.949 11.509 -9.655 494 HD13 ILE 64 3HD1 ILE 64 28.829 12.569 -10.511 495 H LEU 65 H LEU 65 28.030 7.132 -7.398 496 HA LEU 65 HA LEU 65 29.428 7.154 -4.816 497 HB2 LEU 65 2HB LEU 65 26.739 6.797 -5.505 498 HB3 LEU 65 3HB LEU 65 27.316 5.206 -5.014 499 HG LEU 65 HG LEU 65 26.359 6.236 -3.101 500 HD11 LEU 65 1HD1 LEU 65 28.682 5.108 -2.968 501 HD12 LEU 65 2HD1 LEU 65 28.090 6.020 -1.580 502 HD13 LEU 65 3HD1 LEU 65 29.275 6.742 -2.668 503 HD21 LEU 65 1HD2 LEU 65 28.209 8.584 -3.352 504 HD22 LEU 65 2HD2 LEU 65 26.761 8.413 -2.359 505 HD23 LEU 65 3HD2 LEU 65 26.616 8.579 -4.110 506 H GLY 66 H GLY 66 28.174 4.733 -7.127 507 HA2 GLY 66 2HA GLY 66 29.891 3.233 -8.128 508 HA3 GLY 66 3HA GLY 66 30.557 3.097 -6.507 509 H LYS 67 H LYS 67 27.118 3.164 -7.008 510 HA LYS 67 HA LYS 67 26.977 0.250 -6.682 511 HB2 LYS 67 2HB LYS 67 25.024 0.694 -5.082 512 HB3 LYS 67 3HB LYS 67 26.651 0.940 -4.462 513 HG2 LYS 67 2HG LYS 67 26.413 3.357 -4.864 514 HG3 LYS 67 3HG LYS 67 24.757 3.082 -5.407 515 HD2 LYS 67 2HD LYS 67 24.384 3.627 -3.212 516 HD3 LYS 67 3HD LYS 67 24.545 1.875 -3.077 517 HE2 LYS 67 2HE LYS 67 27.132 2.663 -2.837 518 HE3 LYS 67 3HE LYS 67 26.293 4.022 -2.089 519 HZ1 LYS 67 1HZ LYS 67 25.503 2.728 -0.404 520 HZ2 LYS 67 2HZ LYS 67 26.962 1.926 -0.703 521 HZ3 LYS 67 3HZ LYS 67 25.513 1.304 -1.317 522 H SER 68 H SER 68 25.772 -0.582 -8.243 523 HA SER 68 HA SER 68 23.635 1.079 -9.408 524 HB2 SER 68 2HB SER 68 23.964 -0.061 -11.496 525 HB3 SER 68 3HB SER 68 25.551 0.451 -10.923 526 HG SER 68 HG SER 68 26.105 -1.562 -11.000 527 H GLY 69 H GLY 69 22.886 -0.150 -7.162 528 HA2 GLY 69 2HA GLY 69 21.845 -2.793 -7.661 529 HA3 GLY 69 3HA GLY 69 21.575 -1.817 -6.224 530 H GLU 70 H GLU 70 20.034 0.008 -6.456 531 HA GLU 70 HA GLU 70 17.550 -0.847 -7.322 532 HB2 GLU 70 2HB GLU 70 18.653 1.889 -6.746 533 HB3 GLU 70 3HB GLU 70 16.991 1.678 -7.279 534 HG2 GLU 70 2HG GLU 70 16.589 1.573 -5.075 535 HG3 GLU 70 3HG GLU 70 17.055 -0.114 -5.286 536 H LEU 71 H LEU 71 20.083 0.746 -9.095 537 HA LEU 71 HA LEU 71 18.688 1.799 -11.248 538 HB2 LEU 71 2HB LEU 71 21.430 0.897 -10.731 539 HB3 LEU 71 3HB LEU 71 20.958 0.860 -12.429 540 HG LEU 71 HG LEU 71 20.893 3.281 -10.628 541 HD11 LEU 71 1HD1 LEU 71 22.968 3.737 -11.275 542 HD12 LEU 71 2HD1 LEU 71 22.587 3.410 -12.965 543 HD13 LEU 71 3HD1 LEU 71 23.057 2.089 -11.896 544 HD21 LEU 71 1HD2 LEU 71 20.639 4.330 -13.026 545 HD22 LEU 71 2HD2 LEU 71 19.231 3.763 -12.127 546 HD23 LEU 71 3HD2 LEU 71 19.931 2.758 -13.397 547 H LYS 72 H LYS 72 19.636 -1.516 -10.585 548 HA LYS 72 HA LYS 72 19.023 -2.563 -13.149 549 HB2 LYS 72 2HB LYS 72 19.811 -3.596 -10.543 550 HB3 LYS 72 3HB LYS 72 18.649 -4.644 -11.346 551 HG2 LYS 72 2HG LYS 72 21.227 -3.677 -12.565 552 HG3 LYS 72 3HG LYS 72 20.986 -5.255 -11.813 553 HD2 LYS 72 2HD LYS 72 18.997 -4.573 -13.856 554 HD3 LYS 72 3HD LYS 72 20.647 -4.715 -14.466 555 HE2 LYS 72 2HE LYS 72 19.360 -6.802 -12.722 556 HE3 LYS 72 3HE LYS 72 19.256 -6.830 -14.482 557 HZ1 LYS 72 1HZ LYS 72 21.717 -6.993 -12.833 558 HZ2 LYS 72 2HZ LYS 72 21.723 -6.811 -14.515 559 HZ3 LYS 72 3HZ LYS 72 21.063 -8.204 -13.818 560 H THR 73 H THR 73 17.109 -1.742 -10.384 561 HA THR 73 HA THR 73 14.808 -3.273 -11.269 562 HB THR 73 HB THR 73 14.591 -1.195 -9.136 563 HG1 THR 73 HG1 THR 73 16.154 -2.094 -8.040 564 HG21 THR 73 1HG2 THR 73 13.180 -3.573 -10.016 565 HG22 THR 73 2HG2 THR 73 12.635 -2.265 -8.965 566 HG23 THR 73 3HG2 THR 73 13.537 -3.621 -8.290 567 H TRP 74 H TRP 74 15.830 0.107 -11.095 568 HA TRP 74 HA TRP 74 13.412 1.259 -11.958 569 HB2 TRP 74 2HB TRP 74 15.228 2.550 -10.903 570 HB3 TRP 74 3HB TRP 74 16.232 2.292 -12.326 571 HD1 TRP 74 HD1 TRP 74 16.334 4.441 -13.694 572 HE1 TRP 74 HE1 TRP 74 14.677 6.292 -14.365 573 HE3 TRP 74 HE3 TRP 74 12.197 2.769 -11.199 574 HZ2 TRP 74 HZ2 TRP 74 11.973 6.956 -13.897 575 HZ3 TRP 74 HZ3 TRP 74 10.116 4.071 -11.362 576 HH2 TRP 74 HH2 TRP 74 10.008 6.121 -12.683 577 H GLY 75 H GLY 75 16.321 0.302 -13.770 578 HA2 GLY 75 2HA GLY 75 15.497 1.143 -16.301 579 HA3 GLY 75 3HA GLY 75 16.626 -0.168 -15.995 580 H LEU 76 H LEU 76 14.774 -1.831 -14.558 581 HA LEU 76 HA LEU 76 13.482 -3.058 -16.817 582 HB2 LEU 76 2HB LEU 76 13.978 -3.763 -13.979 583 HB3 LEU 76 3HB LEU 76 12.628 -4.555 -14.789 584 HG LEU 76 HG LEU 76 15.512 -4.642 -15.673 585 HD11 LEU 76 1HD1 LEU 76 15.070 -7.137 -15.124 586 HD12 LEU 76 2HD1 LEU 76 13.781 -6.502 -14.101 587 HD13 LEU 76 3HD1 LEU 76 15.451 -6.015 -13.817 588 HD21 LEU 76 1HD2 LEU 76 14.644 -6.421 -17.208 589 HD22 LEU 76 2HD2 LEU 76 14.119 -4.784 -17.599 590 HD23 LEU 76 3HD2 LEU 76 13.013 -5.896 -16.791 591 H VAL 77 H VAL 77 12.346 -1.809 -13.676 592 HA VAL 77 HA VAL 77 9.624 -2.129 -14.062 593 HB VAL 77 HB VAL 77 11.054 0.068 -12.562 594 HG11 VAL 77 1HG1 VAL 77 9.058 1.031 -12.347 595 HG12 VAL 77 2HG1 VAL 77 8.242 -0.333 -13.115 596 HG13 VAL 77 3HG1 VAL 77 8.577 -0.365 -11.383 597 HG21 VAL 77 1HG2 VAL 77 11.144 -1.310 -10.757 598 HG22 VAL 77 2HG2 VAL 77 9.676 -2.179 -11.205 599 HG23 VAL 77 3HG2 VAL 77 11.198 -2.538 -12.021 600 H LEU 78 H LEU 78 11.749 0.451 -15.171 601 HA LEU 78 HA LEU 78 9.641 2.121 -16.140 602 HB2 LEU 78 2HB LEU 78 12.096 2.707 -15.510 603 HB3 LEU 78 3HB LEU 78 12.447 2.231 -17.170 604 HG LEU 78 HG LEU 78 10.932 3.973 -17.988 605 HD11 LEU 78 1HD1 LEU 78 10.611 5.584 -15.702 606 HD12 LEU 78 2HD1 LEU 78 10.050 3.969 -15.271 607 HD13 LEU 78 3HD1 LEU 78 9.359 4.799 -16.665 608 HD21 LEU 78 1HD2 LEU 78 12.574 5.490 -17.931 609 HD22 LEU 78 2HD2 LEU 78 13.452 4.298 -16.973 610 HD23 LEU 78 3HD2 LEU 78 12.553 5.586 -16.170 611 H GLY 79 H GLY 79 11.735 -0.340 -17.548 612 HA2 GLY 79 2HA GLY 79 11.238 0.058 -20.248 613 HA3 GLY 79 3HA GLY 79 11.575 -1.505 -19.520 614 H ALA 80 H ALA 80 9.121 -1.198 -17.805 615 HA ALA 80 HA ALA 80 7.278 -2.340 -19.735 616 HB1 ALA 80 1HB ALA 80 7.275 -3.628 -17.830 617 HB2 ALA 80 2HB ALA 80 7.419 -2.235 -16.757 618 HB3 ALA 80 3HB ALA 80 5.879 -2.588 -17.542 619 H LEU 81 H LEU 81 7.003 0.131 -17.170 620 HA LEU 81 HA LEU 81 4.542 1.161 -17.936 621 HB2 LEU 81 2HB LEU 81 6.814 2.735 -16.738 622 HB3 LEU 81 3HB LEU 81 5.095 3.113 -16.642 623 HG LEU 81 HG LEU 81 6.205 0.591 -15.453 624 HD11 LEU 81 1HD1 LEU 81 7.523 2.287 -14.431 625 HD12 LEU 81 2HD1 LEU 81 6.254 1.850 -13.288 626 HD13 LEU 81 3HD1 LEU 81 6.122 3.338 -14.225 627 HD21 LEU 81 1HD2 LEU 81 3.662 2.096 -15.400 628 HD22 LEU 81 2HD2 LEU 81 4.178 1.360 -13.882 629 HD23 LEU 81 3HD2 LEU 81 3.958 0.359 -15.318 630 H LYS 82 H LYS 82 7.794 2.261 -18.864 631 HA LYS 82 HA LYS 82 7.077 4.416 -20.456 632 HB2 LYS 82 2HB LYS 82 9.419 3.494 -19.741 633 HB3 LYS 82 3HB LYS 82 9.335 2.616 -21.263 634 HG2 LYS 82 2HG LYS 82 9.579 4.488 -22.519 635 HG3 LYS 82 3HG LYS 82 8.760 5.519 -21.343 636 HD2 LYS 82 2HD LYS 82 11.128 4.544 -20.129 637 HD3 LYS 82 3HD LYS 82 11.556 5.131 -21.738 638 HE2 LYS 82 2HE LYS 82 9.729 6.881 -20.259 639 HE3 LYS 82 3HE LYS 82 11.311 6.685 -19.506 640 HZ1 LYS 82 1HZ LYS 82 11.539 7.102 -22.312 641 HZ2 LYS 82 2HZ LYS 82 12.236 7.971 -21.040 642 HZ3 LYS 82 3HZ LYS 82 10.683 8.365 -21.581 643 H ALA 83 H ALA 83 7.771 1.093 -21.561 644 HA ALA 83 HA ALA 83 7.096 1.409 -24.224 645 HB1 ALA 83 1HB ALA 83 6.522 -1.079 -24.107 646 HB2 ALA 83 2HB ALA 83 8.153 -0.596 -23.640 647 HB3 ALA 83 3HB ALA 83 6.955 -0.971 -22.401 648 H ALA 84 H ALA 84 4.999 0.679 -21.471 649 HA ALA 84 HA ALA 84 2.638 0.138 -22.851 650 HB1 ALA 84 1HB ALA 84 2.625 1.617 -20.248 651 HB2 ALA 84 2HB ALA 84 1.535 0.353 -20.820 652 HB3 ALA 84 3HB ALA 84 3.181 -0.055 -20.333 653 H ARG 85 H ARG 85 4.301 3.119 -22.358 654 HA ARG 85 HA ARG 85 1.969 4.719 -23.072 655 HB2 ARG 85 2HB ARG 85 4.754 5.771 -22.638 656 HB3 ARG 85 3HB ARG 85 3.223 6.618 -22.459 657 HG2 ARG 85 2HG ARG 85 3.036 4.545 -20.645 658 HG3 ARG 85 3HG ARG 85 4.721 5.058 -20.533 659 HD2 ARG 85 2HD ARG 85 3.273 6.272 -18.961 660 HD3 ARG 85 3HD ARG 85 4.028 7.346 -20.137 661 HE ARG 85 HE ARG 85 1.951 7.841 -20.977 662 HH11 ARG 85 1HH1 ARG 85 1.729 5.050 -18.907 663 HH12 ARG 85 2HH1 ARG 85 -0.003 5.020 -18.915 664 HH21 ARG 85 1HH2 ARG 85 -0.329 7.812 -20.994 665 HH22 ARG 85 2HH2 ARG 85 -1.173 6.591 -20.103 666 H GLU 86 H GLU 86 2.711 2.981 -25.084 667 HA GLU 86 HA GLU 86 3.498 4.876 -27.164 668 HB2 GLU 86 2HB GLU 86 4.900 2.302 -26.527 669 HB3 GLU 86 3HB GLU 86 4.853 2.893 -28.183 670 HG2 GLU 86 2HG GLU 86 5.715 4.782 -26.068 671 HG3 GLU 86 3HG GLU 86 6.822 3.489 -26.525 672 H GLU 87 H GLU 87 1.096 4.644 -27.337 673 HA GLU 87 HA GLU 87 0.277 2.172 -28.686 674 HB2 GLU 87 2HB GLU 87 -1.407 4.449 -27.627 675 HB3 GLU 87 3HB GLU 87 -2.024 2.965 -28.340 676 HG2 GLU 87 2HG GLU 87 -1.226 1.659 -26.532 677 HG3 GLU 87 3HG GLU 87 -0.291 3.007 -25.887 Start of MODEL 15 1 H1 SER 1 H SER 1 2.228 -0.449 1.605 2 HA SER 1 HA SER 1 1.766 0.456 -1.154 3 HB2 SER 1 2HB SER 1 4.456 -0.201 0.036 4 HB3 SER 1 3HB SER 1 4.095 0.796 -1.373 5 HG SER 1 HG SER 1 4.560 1.730 0.925 6 H GLU 2 H GLU 2 0.541 -1.853 -0.747 7 HA GLU 2 HA GLU 2 2.372 -3.975 -1.625 8 HB2 GLU 2 2HB GLU 2 0.409 -5.486 -1.101 9 HB3 GLU 2 3HB GLU 2 1.147 -4.680 0.276 10 HG2 GLU 2 2HG GLU 2 -0.638 -3.023 0.278 11 HG3 GLU 2 3HG GLU 2 -1.373 -3.807 -1.119 12 H ALA 3 H ALA 3 -0.674 -2.374 -2.433 13 HA ALA 3 HA ALA 3 -1.174 -3.902 -4.780 14 HB1 ALA 3 1HB ALA 3 -2.626 -1.729 -5.254 15 HB2 ALA 3 2HB ALA 3 -3.115 -2.950 -4.078 16 HB3 ALA 3 3HB ALA 3 -2.323 -1.470 -3.535 17 H VAL 4 H VAL 4 0.879 -1.242 -4.069 18 HA VAL 4 HA VAL 4 1.060 -0.259 -6.770 19 HB VAL 4 HB VAL 4 1.443 1.207 -4.802 20 HG11 VAL 4 1HG1 VAL 4 2.818 0.604 -3.168 21 HG12 VAL 4 2HG1 VAL 4 3.210 -0.873 -4.050 22 HG13 VAL 4 3HG1 VAL 4 4.174 0.584 -4.295 23 HG21 VAL 4 1HG2 VAL 4 3.230 2.455 -5.770 24 HG22 VAL 4 2HG2 VAL 4 3.892 1.018 -6.549 25 HG23 VAL 4 3HG2 VAL 4 2.351 1.684 -7.090 26 H ILE 5 H ILE 5 2.372 -2.871 -5.076 27 HA ILE 5 HA ILE 5 4.745 -3.018 -6.789 28 HB ILE 5 HB ILE 5 3.963 -4.737 -4.432 29 HG12 ILE 5 2HG1 ILE 5 6.072 -2.580 -4.668 30 HG13 ILE 5 3HG1 ILE 5 4.529 -2.401 -3.839 31 HG21 ILE 5 1HG2 ILE 5 6.713 -4.923 -4.969 32 HG22 ILE 5 2HG2 ILE 5 5.488 -6.176 -5.156 33 HG23 ILE 5 3HG2 ILE 5 5.889 -5.126 -6.515 34 HD11 ILE 5 1HD1 ILE 5 7.004 -3.531 -2.900 35 HD12 ILE 5 2HD1 ILE 5 5.562 -3.063 -1.999 36 HD13 ILE 5 3HD1 ILE 5 5.670 -4.670 -2.719 37 H LYS 6 H LYS 6 1.716 -4.638 -6.099 38 HA LYS 6 HA LYS 6 2.222 -6.971 -7.639 39 HB2 LYS 6 2HB LYS 6 -0.081 -7.487 -7.339 40 HB3 LYS 6 3HB LYS 6 0.456 -6.715 -5.853 41 HG2 LYS 6 2HG LYS 6 -0.565 -4.625 -6.539 42 HG3 LYS 6 3HG LYS 6 -1.056 -5.350 -8.072 43 HD2 LYS 6 2HD LYS 6 -2.905 -5.277 -6.458 44 HD3 LYS 6 3HD LYS 6 -2.476 -6.934 -6.891 45 HE2 LYS 6 2HE LYS 6 -0.988 -5.958 -4.592 46 HE3 LYS 6 3HE LYS 6 -2.731 -5.914 -4.333 47 HZ1 LYS 6 1HZ LYS 6 -1.795 -8.349 -5.552 48 HZ2 LYS 6 2HZ LYS 6 -2.844 -8.128 -4.243 49 HZ3 LYS 6 3HZ LYS 6 -1.170 -8.088 -4.001 50 H VAL 7 H VAL 7 0.859 -3.813 -8.361 51 HA VAL 7 HA VAL 7 -0.173 -4.424 -10.917 52 HB VAL 7 HB VAL 7 0.813 -1.777 -9.846 53 HG11 VAL 7 1HG1 VAL 7 -1.181 -1.315 -11.714 54 HG12 VAL 7 2HG1 VAL 7 0.549 -1.046 -11.935 55 HG13 VAL 7 3HG1 VAL 7 -0.181 -2.567 -12.450 56 HG21 VAL 7 1HG2 VAL 7 -1.264 -3.267 -8.909 57 HG22 VAL 7 2HG2 VAL 7 -1.158 -1.509 -8.803 58 HG23 VAL 7 3HG2 VAL 7 -2.066 -2.261 -10.116 59 H ILE 8 H ILE 8 2.960 -3.137 -9.864 60 HA ILE 8 HA ILE 8 3.997 -2.903 -12.518 61 HB ILE 8 HB ILE 8 5.474 -2.961 -9.884 62 HG12 ILE 8 2HG1 ILE 8 4.763 -0.548 -11.549 63 HG13 ILE 8 3HG1 ILE 8 3.726 -1.137 -10.254 64 HG21 ILE 8 1HG2 ILE 8 7.306 -1.914 -11.103 65 HG22 ILE 8 2HG2 ILE 8 6.911 -3.489 -11.791 66 HG23 ILE 8 3HG2 ILE 8 6.379 -2.015 -12.600 67 HD11 ILE 8 1HD1 ILE 8 5.242 0.738 -9.627 68 HD12 ILE 8 2HD1 ILE 8 5.397 -0.703 -8.621 69 HD13 ILE 8 3HD1 ILE 8 6.602 -0.360 -9.862 70 H SER 9 H SER 9 4.105 -5.347 -9.997 71 HA SER 9 HA SER 9 6.076 -6.971 -11.284 72 HB2 SER 9 2HB SER 9 5.669 -7.055 -8.843 73 HB3 SER 9 3HB SER 9 4.069 -7.731 -9.147 74 HG SER 9 HG SER 9 5.162 -9.540 -8.980 75 H SER 10 H SER 10 2.901 -6.315 -12.015 76 HA SER 10 HA SER 10 2.481 -8.942 -13.272 77 HB2 SER 10 2HB SER 10 0.665 -8.392 -11.796 78 HB3 SER 10 3HB SER 10 0.515 -6.779 -12.494 79 HG SER 10 HG SER 10 -1.035 -7.939 -13.489 80 H ALA 11 H ALA 11 3.063 -5.618 -13.875 81 HA ALA 11 HA ALA 11 2.085 -5.666 -16.599 82 HB1 ALA 11 1HB ALA 11 2.344 -3.418 -16.600 83 HB2 ALA 11 2HB ALA 11 2.327 -3.656 -14.852 84 HB3 ALA 11 3HB ALA 11 3.862 -3.480 -15.704 85 H CYS 12 H CYS 12 5.134 -5.985 -14.906 86 HA CYS 12 HA CYS 12 6.782 -5.750 -17.226 87 HB2 CYS 12 2HB CYS 12 7.203 -6.595 -14.389 88 HB3 CYS 12 3HB CYS 12 8.435 -6.987 -15.581 89 HG CYS 12 HG CYS 12 8.999 -4.376 -16.269 90 H LYS 13 H LYS 13 5.176 -8.382 -15.575 91 HA LYS 13 HA LYS 13 6.563 -10.490 -16.891 92 HB2 LYS 13 2HB LYS 13 3.794 -10.604 -15.691 93 HB3 LYS 13 3HB LYS 13 4.896 -11.949 -15.957 94 HG2 LYS 13 2HG LYS 13 5.533 -9.664 -14.113 95 HG3 LYS 13 3HG LYS 13 4.689 -11.123 -13.586 96 HD2 LYS 13 2HD LYS 13 7.175 -11.562 -15.109 97 HD3 LYS 13 3HD LYS 13 7.373 -10.822 -13.519 98 HE2 LYS 13 2HE LYS 13 5.615 -13.214 -13.804 99 HE3 LYS 13 3HE LYS 13 7.365 -13.432 -13.801 100 HZ1 LYS 13 1HZ LYS 13 6.118 -13.544 -11.585 101 HZ2 LYS 13 2HZ LYS 13 6.038 -11.858 -11.688 102 HZ3 LYS 13 3HZ LYS 13 7.542 -12.632 -11.649 103 H THR 14 H THR 14 4.331 -8.250 -17.993 104 HA THR 14 HA THR 14 3.521 -10.018 -20.209 105 HB THR 14 HB THR 14 2.047 -7.659 -19.027 106 HG1 THR 14 HG1 THR 14 1.753 -9.631 -17.915 107 HG21 THR 14 1HG2 THR 14 1.862 -8.944 -21.668 108 HG22 THR 14 2HG2 THR 14 1.330 -7.346 -21.144 109 HG23 THR 14 3HG2 THR 14 0.329 -8.760 -20.818 110 H TYR 15 H TYR 15 4.990 -7.026 -19.278 111 HA TYR 15 HA TYR 15 5.092 -6.100 -22.054 112 HB2 TYR 15 2HB TYR 15 5.649 -4.781 -19.408 113 HB3 TYR 15 3HB TYR 15 6.207 -4.065 -20.916 114 HD1 TYR 15 HD1 TYR 15 3.025 -5.692 -19.801 115 HD2 TYR 15 HD2 TYR 15 4.884 -2.302 -21.575 116 HE1 TYR 15 HE1 TYR 15 0.817 -4.654 -20.116 117 HE2 TYR 15 HE2 TYR 15 2.683 -1.254 -21.895 118 HH TYR 15 HH TYR 15 -0.261 -2.743 -20.641 119 H CYS 16 H CYS 16 7.328 -6.501 -19.303 120 HA CYS 16 HA CYS 16 9.699 -6.176 -20.722 121 HB2 CYS 16 2HB CYS 16 8.991 -6.773 -18.093 122 HB3 CYS 16 3HB CYS 16 9.952 -8.155 -18.607 123 HG CYS 16 HG CYS 16 11.001 -5.297 -17.537 124 H GLY 17 H GLY 17 7.772 -9.085 -20.146 125 HA2 GLY 17 2HA GLY 17 7.703 -11.066 -21.320 126 HA3 GLY 17 3HA GLY 17 8.764 -10.331 -22.514 127 H LYS 18 H LYS 18 8.632 -12.107 -19.494 128 HA LYS 18 HA LYS 18 10.162 -13.379 -18.386 129 HB2 LYS 18 2HB LYS 18 10.011 -14.519 -20.653 130 HB3 LYS 18 3HB LYS 18 11.509 -13.695 -21.068 131 HG2 LYS 18 2HG LYS 18 12.245 -14.813 -18.745 132 HG3 LYS 18 3HG LYS 18 11.036 -15.986 -19.274 133 HD2 LYS 18 2HD LYS 18 12.226 -16.071 -21.483 134 HD3 LYS 18 3HD LYS 18 13.503 -15.090 -20.758 135 HE2 LYS 18 2HE LYS 18 12.833 -17.350 -19.087 136 HE3 LYS 18 3HE LYS 18 13.281 -17.867 -20.711 137 HZ1 LYS 18 1HZ LYS 18 15.397 -17.156 -20.456 138 HZ2 LYS 18 2HZ LYS 18 15.060 -17.431 -18.821 139 HZ3 LYS 18 3HZ LYS 18 14.979 -15.862 -19.449 140 H THR 19 H THR 19 10.681 -10.643 -18.279 141 HA THR 19 HA THR 19 13.522 -10.692 -17.718 142 HB THR 19 HB THR 19 13.200 -8.208 -19.003 143 HG1 THR 19 HG1 THR 19 12.127 -8.603 -20.793 144 HG21 THR 19 1HG2 THR 19 15.311 -9.273 -18.924 145 HG22 THR 19 2HG2 THR 19 14.855 -9.251 -20.628 146 HG23 THR 19 3HG2 THR 19 14.687 -10.734 -19.689 147 H SER 20 H SER 20 10.791 -10.311 -16.425 148 HA SER 20 HA SER 20 10.625 -7.641 -15.502 149 HB2 SER 20 2HB SER 20 9.188 -8.697 -13.670 150 HB3 SER 20 3HB SER 20 8.653 -8.951 -15.332 151 HG SER 20 HG SER 20 9.267 -11.024 -15.233 152 HA PRO 21 HA PRO 21 13.646 -7.414 -12.328 153 HB2 PRO 21 2HB PRO 21 12.386 -5.866 -10.487 154 HB3 PRO 21 3HB PRO 21 12.995 -5.232 -12.020 155 HG2 PRO 21 2HG PRO 21 10.208 -6.031 -11.273 156 HG3 PRO 21 3HG PRO 21 10.759 -4.612 -12.184 157 HD2 PRO 21 2HD PRO 21 9.733 -6.809 -13.389 158 HD3 PRO 21 3HD PRO 21 10.985 -5.803 -14.145 159 H SER 22 H SER 22 13.566 -7.345 -9.684 160 HA SER 22 HA SER 22 12.352 -9.919 -8.959 161 HB2 SER 22 2HB SER 22 14.936 -9.181 -8.717 162 HB3 SER 22 3HB SER 22 14.331 -8.656 -7.146 163 HG SER 22 HG SER 22 15.112 -10.972 -7.529 164 H LYS 23 H LYS 23 10.895 -10.092 -7.352 165 HA LYS 23 HA LYS 23 9.365 -7.952 -6.517 166 HB2 LYS 23 2HB LYS 23 9.640 -10.769 -5.775 167 HB3 LYS 23 3HB LYS 23 9.084 -9.757 -4.448 168 HG2 LYS 23 2HG LYS 23 7.499 -8.876 -6.457 169 HG3 LYS 23 3HG LYS 23 7.714 -10.568 -6.912 170 HD2 LYS 23 2HD LYS 23 7.036 -9.884 -4.085 171 HD3 LYS 23 3HD LYS 23 5.766 -9.857 -5.310 172 HE2 LYS 23 2HE LYS 23 7.447 -12.234 -5.453 173 HE3 LYS 23 3HE LYS 23 6.618 -12.067 -3.906 174 HZ1 LYS 23 1HZ LYS 23 5.558 -13.043 -6.244 175 HZ2 LYS 23 2HZ LYS 23 4.870 -11.507 -6.078 176 HZ3 LYS 23 3HZ LYS 23 4.705 -12.646 -4.838 177 H LYS 24 H LYS 24 12.025 -9.541 -4.778 178 HA LYS 24 HA LYS 24 11.897 -7.945 -2.464 179 HB2 LYS 24 2HB LYS 24 13.106 -10.041 -2.460 180 HB3 LYS 24 3HB LYS 24 14.211 -9.451 -3.694 181 HG2 LYS 24 2HG LYS 24 15.342 -9.368 -1.608 182 HG3 LYS 24 3HG LYS 24 14.968 -7.708 -2.076 183 HD2 LYS 24 2HD LYS 24 14.464 -7.915 0.241 184 HD3 LYS 24 3HD LYS 24 12.925 -7.865 -0.622 185 HE2 LYS 24 2HE LYS 24 13.778 -10.576 -0.438 186 HE3 LYS 24 3HE LYS 24 13.887 -9.846 1.163 187 HZ1 LYS 24 1HZ LYS 24 11.466 -9.179 -0.232 188 HZ2 LYS 24 2HZ LYS 24 11.681 -9.759 1.342 189 HZ3 LYS 24 3HZ LYS 24 11.633 -10.840 0.041 190 H GLU 25 H GLU 25 13.213 -7.368 -5.611 191 HA GLU 25 HA GLU 25 14.927 -5.203 -4.805 192 HB2 GLU 25 2HB GLU 25 14.295 -6.627 -7.278 193 HB3 GLU 25 3HB GLU 25 14.503 -4.898 -7.517 194 HG2 GLU 25 2HG GLU 25 16.516 -6.498 -5.988 195 HG3 GLU 25 3HG GLU 25 16.546 -6.430 -7.749 196 H ILE 26 H ILE 26 11.752 -5.508 -6.346 197 HA ILE 26 HA ILE 26 11.240 -2.854 -6.926 198 HB ILE 26 HB ILE 26 9.262 -4.912 -5.936 199 HG12 ILE 26 2HG1 ILE 26 9.898 -4.119 -8.780 200 HG13 ILE 26 3HG1 ILE 26 10.638 -5.500 -7.977 201 HG21 ILE 26 1HG2 ILE 26 8.365 -2.658 -5.777 202 HG22 ILE 26 2HG2 ILE 26 8.817 -2.344 -7.452 203 HG23 ILE 26 3HG2 ILE 26 7.580 -3.545 -7.084 204 HD11 ILE 26 1HD1 ILE 26 8.519 -5.770 -9.498 205 HD12 ILE 26 2HD1 ILE 26 8.720 -6.729 -8.031 206 HD13 ILE 26 3HD1 ILE 26 7.675 -5.308 -8.020 207 H GLY 27 H GLY 27 11.238 -4.482 -3.843 208 HA2 GLY 27 2HA GLY 27 9.824 -2.408 -2.442 209 HA3 GLY 27 3HA GLY 27 10.689 -3.756 -1.717 210 H ALA 28 H ALA 28 13.157 -3.059 -3.223 211 HA ALA 28 HA ALA 28 14.124 -1.063 -1.336 212 HB1 ALA 28 1HB ALA 28 15.622 -2.773 -3.318 213 HB2 ALA 28 2HB ALA 28 16.355 -1.711 -2.115 214 HB3 ALA 28 3HB ALA 28 15.412 -3.109 -1.599 215 H MET 29 H MET 29 12.699 -0.924 -4.263 216 HA MET 29 HA MET 29 14.396 1.258 -5.260 217 HB2 MET 29 2HB MET 29 13.974 -0.502 -6.884 218 HB3 MET 29 3HB MET 29 12.239 -0.344 -6.644 219 HG2 MET 29 2HG MET 29 12.482 2.041 -7.448 220 HG3 MET 29 3HG MET 29 14.115 1.602 -7.945 221 HE1 MET 29 1HE MET 29 10.114 0.204 -9.368 222 HE2 MET 29 2HE MET 29 10.557 1.465 -8.217 223 HE3 MET 29 3HE MET 29 10.547 1.813 -9.946 224 H LEU 30 H LEU 30 10.975 0.431 -4.726 225 HA LEU 30 HA LEU 30 9.914 2.965 -5.247 226 HB2 LEU 30 2HB LEU 30 9.013 0.551 -3.780 227 HB3 LEU 30 3HB LEU 30 8.146 2.054 -3.475 228 HG LEU 30 HG LEU 30 7.000 0.737 -5.154 229 HD11 LEU 30 1HD1 LEU 30 7.727 2.595 -7.108 230 HD12 LEU 30 2HD1 LEU 30 7.990 3.405 -5.565 231 HD13 LEU 30 3HD1 LEU 30 6.408 2.723 -5.944 232 HD21 LEU 30 1HD2 LEU 30 8.145 0.456 -7.398 233 HD22 LEU 30 2HD2 LEU 30 8.699 -0.598 -6.097 234 HD23 LEU 30 3HD2 LEU 30 9.657 0.810 -6.560 235 H SER 31 H SER 31 11.545 1.697 -2.458 236 HA SER 31 HA SER 31 10.706 3.865 -0.729 237 HB2 SER 31 2HB SER 31 11.009 1.919 0.509 238 HB3 SER 31 3HB SER 31 12.438 1.438 -0.406 239 HG SER 31 HG SER 31 12.199 3.202 1.738 240 H LEU 32 H LEU 32 13.313 3.131 -2.871 241 HA LEU 32 HA LEU 32 15.234 4.917 -1.765 242 HB2 LEU 32 2HB LEU 32 15.913 3.091 -3.194 243 HB3 LEU 32 3HB LEU 32 14.965 3.744 -4.528 244 HG LEU 32 HG LEU 32 16.475 5.556 -4.825 245 HD11 LEU 32 1HD1 LEU 32 17.415 4.780 -2.119 246 HD12 LEU 32 2HD1 LEU 32 17.147 6.379 -2.812 247 HD13 LEU 32 3HD1 LEU 32 18.592 5.464 -3.240 248 HD21 LEU 32 1HD2 LEU 32 18.143 3.103 -4.286 249 HD22 LEU 32 2HD2 LEU 32 18.509 4.419 -5.402 250 HD23 LEU 32 3HD2 LEU 32 17.151 3.340 -5.725 251 H LEU 33 H LEU 33 13.131 5.152 -4.635 252 HA LEU 33 HA LEU 33 13.767 7.717 -5.425 253 HB2 LEU 33 2HB LEU 33 10.971 6.616 -5.496 254 HB3 LEU 33 3HB LEU 33 11.714 7.762 -6.610 255 HG LEU 33 HG LEU 33 12.262 4.807 -6.386 256 HD11 LEU 33 1HD1 LEU 33 11.214 6.478 -8.665 257 HD12 LEU 33 2HD1 LEU 33 10.227 5.473 -7.604 258 HD13 LEU 33 3HD1 LEU 33 11.433 4.728 -8.652 259 HD21 LEU 33 1HD2 LEU 33 13.635 6.859 -8.120 260 HD22 LEU 33 2HD2 LEU 33 13.876 5.113 -8.187 261 HD23 LEU 33 3HD2 LEU 33 14.357 6.016 -6.749 262 H GLN 34 H GLN 34 11.779 6.666 -2.762 263 HA GLN 34 HA GLN 34 10.522 9.174 -2.272 264 HB2 GLN 34 2HB GLN 34 10.942 6.743 -0.534 265 HB3 GLN 34 3HB GLN 34 10.035 8.156 -0.012 266 HG2 GLN 34 2HG GLN 34 8.441 7.830 -1.808 267 HG3 GLN 34 3HG GLN 34 9.369 6.454 -2.403 268 HE21 GLN 34 1HE2 GLN 34 6.694 7.242 -0.766 269 HE22 GLN 34 2HE2 GLN 34 6.522 5.850 0.244 270 H LYS 35 H LYS 35 13.091 7.462 -0.481 271 HA LYS 35 HA LYS 35 13.764 9.578 1.212 272 HB2 LYS 35 2HB LYS 35 15.938 8.379 1.498 273 HB3 LYS 35 3HB LYS 35 14.523 7.355 1.710 274 HG2 LYS 35 2HG LYS 35 14.814 6.504 -0.573 275 HG3 LYS 35 3HG LYS 35 16.259 7.503 -0.747 276 HD2 LYS 35 2HD LYS 35 16.945 5.273 -0.188 277 HD3 LYS 35 3HD LYS 35 17.237 6.309 1.211 278 HE2 LYS 35 2HE LYS 35 15.729 5.224 2.481 279 HE3 LYS 35 3HE LYS 35 14.589 5.043 1.149 280 HZ1 LYS 35 1HZ LYS 35 16.917 3.443 0.770 281 HZ2 LYS 35 2HZ LYS 35 15.289 2.983 0.782 282 HZ3 LYS 35 3HZ LYS 35 16.152 3.074 2.234 283 H GLU 36 H GLU 36 15.001 8.708 -1.984 284 HA GLU 36 HA GLU 36 17.114 10.522 -2.133 285 HB2 GLU 36 2HB GLU 36 15.632 8.842 -3.960 286 HB3 GLU 36 3HB GLU 36 16.018 10.384 -4.712 287 HG2 GLU 36 2HG GLU 36 18.283 9.277 -3.289 288 HG3 GLU 36 3HG GLU 36 17.667 8.177 -4.521 289 H GLY 37 H GLY 37 13.706 11.041 -2.263 290 HA2 GLY 37 2HA GLY 37 12.692 13.148 -1.971 291 HA3 GLY 37 3HA GLY 37 14.176 13.914 -2.518 292 H LEU 38 H LEU 38 12.844 11.282 -4.336 293 HA LEU 38 HA LEU 38 12.417 13.067 -6.587 294 HB2 LEU 38 2HB LEU 38 12.218 10.066 -6.377 295 HB3 LEU 38 3HB LEU 38 12.084 10.994 -7.870 296 HG LEU 38 HG LEU 38 14.552 10.847 -6.138 297 HD11 LEU 38 1HD1 LEU 38 14.873 8.857 -7.078 298 HD12 LEU 38 2HD1 LEU 38 15.085 9.711 -8.606 299 HD13 LEU 38 3HD1 LEU 38 13.502 9.067 -8.168 300 HD21 LEU 38 1HD2 LEU 38 14.855 12.816 -7.242 301 HD22 LEU 38 2HD2 LEU 38 13.810 12.356 -8.586 302 HD23 LEU 38 3HD2 LEU 38 15.447 11.707 -8.479 303 H LEU 39 H LEU 39 10.536 10.540 -4.913 304 HA LEU 39 HA LEU 39 8.095 12.014 -5.647 305 HB2 LEU 39 2HB LEU 39 7.040 9.639 -5.555 306 HB3 LEU 39 3HB LEU 39 7.875 10.183 -7.009 307 HG LEU 39 HG LEU 39 9.906 8.937 -6.147 308 HD11 LEU 39 1HD1 LEU 39 9.481 8.600 -3.877 309 HD12 LEU 39 2HD1 LEU 39 9.224 7.012 -4.602 310 HD13 LEU 39 3HD1 LEU 39 7.841 8.020 -4.174 311 HD21 LEU 39 1HD2 LEU 39 9.304 7.285 -7.520 312 HD22 LEU 39 2HD2 LEU 39 7.762 8.127 -7.674 313 HD23 LEU 39 3HD2 LEU 39 7.941 6.821 -6.502 314 H MET 40 H MET 40 6.251 11.600 -4.206 315 HA MET 40 HA MET 40 7.161 11.462 -1.438 316 HB2 MET 40 2HB MET 40 4.931 12.726 -2.866 317 HB3 MET 40 3HB MET 40 4.470 12.000 -1.332 318 HG2 MET 40 2HG MET 40 5.173 13.849 -0.346 319 HG3 MET 40 3HG MET 40 6.815 13.374 -0.775 320 HE1 MET 40 1HE MET 40 8.299 14.734 -2.636 321 HE2 MET 40 2HE MET 40 7.912 16.440 -2.417 322 HE3 MET 40 3HE MET 40 8.006 15.371 -1.017 323 H SER 41 H SER 41 5.383 9.620 -3.755 324 HA SER 41 HA SER 41 4.964 7.535 -1.739 325 HB2 SER 41 2HB SER 41 2.733 7.159 -3.204 326 HB3 SER 41 3HB SER 41 2.765 8.144 -1.741 327 HG SER 41 HG SER 41 3.359 9.314 -4.225 328 HA PRO 42 HA PRO 42 6.432 4.732 -4.776 329 HB2 PRO 42 2HB PRO 42 4.899 2.534 -4.339 330 HB3 PRO 42 3HB PRO 42 6.167 3.058 -3.224 331 HG2 PRO 42 2HG PRO 42 3.209 3.492 -3.068 332 HG3 PRO 42 3HG PRO 42 4.343 3.036 -1.782 333 HD2 PRO 42 2HD PRO 42 3.442 5.570 -2.100 334 HD3 PRO 42 3HD PRO 42 5.064 5.204 -1.478 335 H SER 43 H SER 43 2.920 5.118 -4.656 336 HA SER 43 HA SER 43 2.328 3.929 -7.136 337 HB2 SER 43 2HB SER 43 0.319 5.698 -6.911 338 HB3 SER 43 3HB SER 43 0.391 4.217 -5.956 339 HG SER 43 HG SER 43 0.441 5.452 -4.271 340 H ASP 44 H ASP 44 3.869 6.862 -6.374 341 HA ASP 44 HA ASP 44 3.104 8.461 -8.562 342 HB2 ASP 44 2HB ASP 44 4.698 8.811 -6.355 343 HB3 ASP 44 3HB ASP 44 5.879 8.798 -7.662 344 H LEU 45 H LEU 45 4.985 5.642 -8.409 345 HA LEU 45 HA LEU 45 6.894 5.997 -10.388 346 HB2 LEU 45 2HB LEU 45 6.016 3.906 -8.850 347 HB3 LEU 45 3HB LEU 45 5.564 3.394 -10.474 348 HG LEU 45 HG LEU 45 8.006 3.890 -11.098 349 HD11 LEU 45 1HD1 LEU 45 8.031 4.299 -8.182 350 HD12 LEU 45 2HD1 LEU 45 9.092 4.947 -9.433 351 HD13 LEU 45 3HD1 LEU 45 9.337 3.307 -8.831 352 HD21 LEU 45 1HD2 LEU 45 7.590 1.618 -9.171 353 HD22 LEU 45 2HD2 LEU 45 8.642 1.676 -10.586 354 HD23 LEU 45 3HD2 LEU 45 6.890 1.637 -10.790 355 H TYR 46 H TYR 46 3.461 5.702 -10.661 356 HA TYR 46 HA TYR 46 3.549 5.138 -13.510 357 HB2 TYR 46 2HB TYR 46 1.099 5.821 -11.891 358 HB3 TYR 46 3HB TYR 46 1.186 4.928 -13.405 359 HD1 TYR 46 HD1 TYR 46 0.226 4.392 -10.292 360 HD2 TYR 46 HD2 TYR 46 3.247 2.946 -12.916 361 HE1 TYR 46 HE1 TYR 46 0.299 2.279 -9.034 362 HE2 TYR 46 HE2 TYR 46 3.328 0.829 -11.667 363 HH TYR 46 HH TYR 46 1.472 0.372 -8.705 364 H SER 47 H SER 47 4.796 7.561 -12.677 365 HA SER 47 HA SER 47 2.993 9.554 -13.890 366 HB2 SER 47 2HB SER 47 3.503 10.081 -11.544 367 HB3 SER 47 3HB SER 47 5.229 10.022 -11.901 368 HG SER 47 HG SER 47 3.307 11.900 -12.764 369 HA PRO 48 HA PRO 48 6.371 9.018 -16.928 370 HB2 PRO 48 2HB PRO 48 4.822 9.652 -19.066 371 HB3 PRO 48 3HB PRO 48 4.877 8.029 -18.367 372 HG2 PRO 48 2HG PRO 48 2.852 10.197 -17.963 373 HG3 PRO 48 3HG PRO 48 2.597 8.460 -18.211 374 HD2 PRO 48 2HD PRO 48 2.487 9.613 -15.764 375 HD3 PRO 48 3HD PRO 48 3.056 7.950 -16.010 376 H GLY 49 H GLY 49 7.138 11.007 -15.736 377 HA2 GLY 49 2HA GLY 49 7.347 13.174 -17.586 378 HA3 GLY 49 3HA GLY 49 6.327 13.595 -16.218 379 H SER 50 H SER 50 7.800 11.995 -14.305 380 HA SER 50 HA SER 50 10.067 13.812 -13.941 381 HB2 SER 50 2HB SER 50 8.322 12.239 -12.105 382 HB3 SER 50 3HB SER 50 9.979 12.559 -11.591 383 HG SER 50 HG SER 50 9.543 14.799 -11.967 384 H TRP 51 H TRP 51 9.681 11.027 -15.434 385 HA TRP 51 HA TRP 51 11.569 9.286 -14.244 386 HB2 TRP 51 2HB TRP 51 10.588 9.458 -17.101 387 HB3 TRP 51 3HB TRP 51 11.550 8.133 -16.450 388 HD1 TRP 51 HD1 TRP 51 9.629 8.487 -13.609 389 HE1 TRP 51 HE1 TRP 51 7.414 7.178 -13.649 390 HE3 TRP 51 HE3 TRP 51 9.248 7.689 -18.645 391 HZ2 TRP 51 HZ2 TRP 51 5.728 5.966 -15.562 392 HZ3 TRP 51 HZ3 TRP 51 7.304 6.446 -19.498 393 HH2 TRP 51 HH2 TRP 51 5.582 5.602 -17.987 394 H ASP 52 H ASP 52 11.866 12.045 -16.312 395 HA ASP 52 HA ASP 52 14.375 11.550 -17.458 396 HB2 ASP 52 2HB ASP 52 12.614 13.856 -17.087 397 HB3 ASP 52 3HB ASP 52 14.322 14.285 -17.090 398 HA PRO 53 HA PRO 53 16.361 13.926 -13.761 399 HB2 PRO 53 2HB PRO 53 14.760 14.555 -11.661 400 HB3 PRO 53 3HB PRO 53 14.982 15.622 -13.052 401 HG2 PRO 53 2HG PRO 53 12.742 13.728 -12.456 402 HG3 PRO 53 3HG PRO 53 12.669 15.382 -13.090 403 HD2 PRO 53 2HD PRO 53 12.432 13.202 -14.678 404 HD3 PRO 53 3HD PRO 53 13.172 14.715 -15.238 405 H ILE 54 H ILE 54 13.850 11.570 -13.129 406 HA ILE 54 HA ILE 54 15.050 10.534 -10.738 407 HB ILE 54 HB ILE 54 12.851 9.519 -12.527 408 HG12 ILE 54 2HG1 ILE 54 12.808 10.407 -9.637 409 HG13 ILE 54 3HG1 ILE 54 12.442 11.466 -10.994 410 HG21 ILE 54 1HG2 ILE 54 12.629 7.980 -10.318 411 HG22 ILE 54 2HG2 ILE 54 13.429 7.469 -11.803 412 HG23 ILE 54 3HG2 ILE 54 14.382 8.097 -10.459 413 HD11 ILE 54 1HD1 ILE 54 10.397 10.590 -11.291 414 HD12 ILE 54 2HD1 ILE 54 10.920 8.953 -10.895 415 HD13 ILE 54 3HD1 ILE 54 10.591 10.110 -9.605 416 H THR 55 H THR 55 14.907 9.516 -14.132 417 HA THR 55 HA THR 55 16.323 7.101 -13.819 418 HB THR 55 HB THR 55 16.043 8.888 -16.241 419 HG1 THR 55 HG1 THR 55 14.328 7.618 -16.714 420 HG21 THR 55 1HG2 THR 55 17.728 7.642 -17.070 421 HG22 THR 55 2HG2 THR 55 16.503 6.380 -17.203 422 HG23 THR 55 3HG2 THR 55 17.578 6.423 -15.806 423 H ALA 56 H ALA 56 17.447 10.288 -14.960 424 HA ALA 56 HA ALA 56 20.148 9.623 -15.226 425 HB1 ALA 56 1HB ALA 56 18.649 12.175 -14.899 426 HB2 ALA 56 2HB ALA 56 20.407 12.195 -14.759 427 HB3 ALA 56 3HB ALA 56 19.647 11.614 -16.241 428 H ALA 57 H ALA 57 18.257 10.436 -12.417 429 HA ALA 57 HA ALA 57 20.424 11.058 -10.685 430 HB1 ALA 57 1HB ALA 57 18.448 11.880 -9.867 431 HB2 ALA 57 2HB ALA 57 17.533 10.441 -10.321 432 HB3 ALA 57 3HB ALA 57 18.599 10.402 -8.917 433 H LEU 58 H LEU 58 18.483 8.113 -11.160 434 HA LEU 58 HA LEU 58 19.975 6.567 -9.290 435 HB2 LEU 58 2HB LEU 58 18.200 5.657 -11.551 436 HB3 LEU 58 3HB LEU 58 18.768 4.656 -10.216 437 HG LEU 58 HG LEU 58 17.209 7.088 -9.533 438 HD11 LEU 58 1HD1 LEU 58 15.902 4.582 -10.580 439 HD12 LEU 58 2HD1 LEU 58 15.994 6.112 -11.453 440 HD13 LEU 58 3HD1 LEU 58 15.094 6.014 -9.939 441 HD21 LEU 58 1HD2 LEU 58 18.249 5.288 -7.975 442 HD22 LEU 58 2HD2 LEU 58 16.852 4.323 -8.452 443 HD23 LEU 58 3HD2 LEU 58 16.618 5.879 -7.654 444 H SER 59 H SER 59 20.176 7.120 -12.750 445 HA SER 59 HA SER 59 22.045 5.039 -13.283 446 HB2 SER 59 2HB SER 59 20.600 6.067 -15.027 447 HB3 SER 59 3HB SER 59 21.526 7.561 -14.878 448 HG SER 59 HG SER 59 22.548 5.026 -15.652 449 H GLN 60 H GLN 60 22.308 8.406 -12.345 450 HA GLN 60 HA GLN 60 25.174 8.465 -12.736 451 HB2 GLN 60 2HB GLN 60 24.037 10.516 -13.162 452 HB3 GLN 60 3HB GLN 60 23.200 10.451 -11.616 453 HG2 GLN 60 2HG GLN 60 24.905 11.380 -10.513 454 HG3 GLN 60 3HG GLN 60 26.115 10.451 -11.397 455 HE21 GLN 60 1HE2 GLN 60 24.100 13.309 -11.447 456 HE22 GLN 60 2HE2 GLN 60 25.025 14.176 -12.621 457 H ARG 61 H ARG 61 22.894 8.190 -10.070 458 HA ARG 61 HA ARG 61 24.553 8.573 -7.900 459 HB2 ARG 61 2HB ARG 61 22.125 8.222 -7.728 460 HB3 ARG 61 3HB ARG 61 22.339 6.531 -8.163 461 HG2 ARG 61 2HG ARG 61 23.759 6.272 -6.121 462 HG3 ARG 61 3HG ARG 61 23.286 7.910 -5.665 463 HD2 ARG 61 2HD ARG 61 20.920 7.207 -5.724 464 HD3 ARG 61 3HD ARG 61 21.441 5.564 -6.095 465 HE ARG 61 HE ARG 61 21.986 5.274 -3.889 466 HH11 ARG 61 1HH1 ARG 61 21.546 8.669 -4.526 467 HH12 ARG 61 2HH1 ARG 61 21.634 9.127 -2.858 468 HH21 ARG 61 1HH2 ARG 61 22.104 5.865 -1.689 469 HH22 ARG 61 2HH2 ARG 61 21.953 7.531 -1.245 470 H ALA 62 H ALA 62 24.164 5.696 -9.903 471 HA ALA 62 HA ALA 62 25.569 3.845 -8.395 472 HB1 ALA 62 1HB ALA 62 24.995 2.594 -10.132 473 HB2 ALA 62 2HB ALA 62 24.594 4.037 -11.064 474 HB3 ALA 62 3HB ALA 62 26.233 3.388 -11.105 475 H MET 63 H MET 63 26.741 6.543 -10.241 476 HA MET 63 HA MET 63 29.510 5.627 -9.977 477 HB2 MET 63 2HB MET 63 28.264 7.894 -11.531 478 HB3 MET 63 3HB MET 63 30.002 7.660 -11.397 479 HG2 MET 63 2HG MET 63 28.938 5.190 -12.194 480 HG3 MET 63 3HG MET 63 28.133 6.418 -13.168 481 HE1 MET 63 1HE MET 63 29.863 7.337 -15.686 482 HE2 MET 63 2HE MET 63 29.095 8.139 -14.315 483 HE3 MET 63 3HE MET 63 30.798 8.435 -14.670 484 H ILE 64 H ILE 64 27.465 8.428 -9.204 485 HA ILE 64 HA ILE 64 29.305 10.023 -7.913 486 HB ILE 64 HB ILE 64 26.413 9.617 -7.140 487 HG12 ILE 64 2HG1 ILE 64 26.670 10.256 -9.485 488 HG13 ILE 64 3HG1 ILE 64 26.006 11.596 -8.557 489 HG21 ILE 64 1HG2 ILE 64 28.494 11.233 -5.991 490 HG22 ILE 64 2HG2 ILE 64 27.208 12.251 -6.638 491 HG23 ILE 64 3HG2 ILE 64 26.831 11.000 -5.453 492 HD11 ILE 64 1HD1 ILE 64 27.682 12.342 -10.156 493 HD12 ILE 64 2HD1 ILE 64 28.195 12.650 -8.497 494 HD13 ILE 64 3HD1 ILE 64 28.880 11.296 -9.396 495 H LEU 65 H LEU 65 27.428 7.328 -6.583 496 HA LEU 65 HA LEU 65 28.954 7.535 -4.083 497 HB2 LEU 65 2HB LEU 65 26.248 6.736 -4.765 498 HB3 LEU 65 3HB LEU 65 27.062 5.537 -3.761 499 HG LEU 65 HG LEU 65 27.206 8.359 -2.867 500 HD11 LEU 65 1HD1 LEU 65 24.987 8.154 -1.779 501 HD12 LEU 65 2HD1 LEU 65 24.684 6.715 -2.753 502 HD13 LEU 65 3HD1 LEU 65 24.903 8.280 -3.537 503 HD21 LEU 65 1HD2 LEU 65 26.397 6.602 -0.841 504 HD22 LEU 65 2HD2 LEU 65 28.008 7.270 -1.106 505 HD23 LEU 65 3HD2 LEU 65 27.572 5.712 -1.811 506 H GLY 66 H GLY 66 27.703 4.972 -6.238 507 HA2 GLY 66 2HA GLY 66 29.508 3.517 -7.210 508 HA3 GLY 66 3HA GLY 66 30.115 3.403 -5.565 509 H LYS 67 H LYS 67 26.710 3.362 -6.414 510 HA LYS 67 HA LYS 67 26.615 0.480 -5.848 511 HB2 LYS 67 2HB LYS 67 24.422 0.990 -4.616 512 HB3 LYS 67 3HB LYS 67 25.927 1.356 -3.784 513 HG2 LYS 67 2HG LYS 67 25.694 3.715 -4.454 514 HG3 LYS 67 3HG LYS 67 24.147 3.324 -5.208 515 HD2 LYS 67 2HD LYS 67 23.782 4.261 -3.003 516 HD3 LYS 67 3HD LYS 67 23.302 2.563 -3.022 517 HE2 LYS 67 2HE LYS 67 24.871 1.984 -1.527 518 HE3 LYS 67 3HE LYS 67 26.098 3.000 -2.281 519 HZ1 LYS 67 1HZ LYS 67 23.996 3.854 -0.368 520 HZ2 LYS 67 2HZ LYS 67 24.994 4.930 -1.209 521 HZ3 LYS 67 3HZ LYS 67 25.668 3.835 -0.110 522 H SER 68 H SER 68 25.860 -0.449 -7.628 523 HA SER 68 HA SER 68 23.751 0.930 -9.152 524 HB2 SER 68 2HB SER 68 24.497 -0.506 -11.071 525 HB3 SER 68 3HB SER 68 25.724 0.628 -10.505 526 HG SER 68 HG SER 68 26.835 -1.206 -10.575 527 H GLY 69 H GLY 69 22.591 -0.189 -7.157 528 HA2 GLY 69 2HA GLY 69 21.835 -2.932 -7.924 529 HA3 GLY 69 3HA GLY 69 21.634 -2.238 -6.322 530 H GLU 70 H GLU 70 20.127 -0.299 -6.246 531 HA GLU 70 HA GLU 70 17.575 -1.059 -7.030 532 HB2 GLU 70 2HB GLU 70 18.571 1.731 -6.421 533 HB3 GLU 70 3HB GLU 70 16.885 1.233 -6.444 534 HG2 GLU 70 2HG GLU 70 19.029 0.523 -4.486 535 HG3 GLU 70 3HG GLU 70 17.444 1.234 -4.192 536 H LEU 71 H LEU 71 19.925 0.979 -8.667 537 HA LEU 71 HA LEU 71 18.364 2.167 -10.606 538 HB2 LEU 71 2HB LEU 71 20.631 2.793 -10.445 539 HB3 LEU 71 3HB LEU 71 21.184 1.137 -10.684 540 HG LEU 71 HG LEU 71 20.384 1.269 -13.034 541 HD11 LEU 71 1HD1 LEU 71 18.986 2.894 -13.601 542 HD12 LEU 71 2HD1 LEU 71 20.316 4.039 -13.428 543 HD13 LEU 71 3HD1 LEU 71 19.244 3.719 -12.064 544 HD21 LEU 71 1HD2 LEU 71 22.451 3.220 -12.050 545 HD22 LEU 71 2HD2 LEU 71 22.178 2.900 -13.763 546 HD23 LEU 71 3HD2 LEU 71 22.697 1.596 -12.694 547 H LYS 72 H LYS 72 19.501 -1.137 -10.408 548 HA LYS 72 HA LYS 72 18.945 -1.915 -13.060 549 HB2 LYS 72 2HB LYS 72 20.331 -3.201 -11.414 550 HB3 LYS 72 3HB LYS 72 18.844 -3.656 -10.592 551 HG2 LYS 72 2HG LYS 72 19.356 -5.484 -11.946 552 HG3 LYS 72 3HG LYS 72 18.097 -4.619 -12.830 553 HD2 LYS 72 2HD LYS 72 19.778 -3.583 -14.250 554 HD3 LYS 72 3HD LYS 72 21.063 -4.377 -13.337 555 HE2 LYS 72 2HE LYS 72 20.896 -6.164 -14.643 556 HE3 LYS 72 3HE LYS 72 19.211 -6.364 -14.167 557 HZ1 LYS 72 1HZ LYS 72 18.491 -5.528 -16.094 558 HZ2 LYS 72 2HZ LYS 72 20.050 -5.845 -16.669 559 HZ3 LYS 72 3HZ LYS 72 19.648 -4.294 -16.126 560 H THR 73 H THR 73 16.978 -1.883 -10.128 561 HA THR 73 HA THR 73 14.739 -3.221 -11.239 562 HB THR 73 HB THR 73 14.586 -1.226 -8.985 563 HG1 THR 73 HG1 THR 73 16.227 -2.536 -8.333 564 HG21 THR 73 1HG2 THR 73 12.804 -2.654 -8.185 565 HG22 THR 73 2HG2 THR 73 13.106 -3.811 -9.481 566 HG23 THR 73 3HG2 THR 73 12.483 -2.206 -9.860 567 H TRP 74 H TRP 74 15.695 0.160 -11.056 568 HA TRP 74 HA TRP 74 13.254 1.298 -11.870 569 HB2 TRP 74 2HB TRP 74 15.037 2.633 -10.865 570 HB3 TRP 74 3HB TRP 74 16.077 2.318 -12.251 571 HD1 TRP 74 HD1 TRP 74 16.248 4.453 -13.638 572 HE1 TRP 74 HE1 TRP 74 14.619 6.279 -14.436 573 HE3 TRP 74 HE3 TRP 74 11.996 2.815 -11.320 574 HZ2 TRP 74 HZ2 TRP 74 11.892 6.938 -14.123 575 HZ3 TRP 74 HZ3 TRP 74 9.919 4.100 -11.620 576 HH2 TRP 74 HH2 TRP 74 9.871 6.119 -12.993 577 H GLY 75 H GLY 75 16.148 0.411 -13.751 578 HA2 GLY 75 2HA GLY 75 15.190 1.200 -16.262 579 HA3 GLY 75 3HA GLY 75 16.421 -0.023 -15.987 580 H LEU 76 H LEU 76 14.741 -1.805 -14.480 581 HA LEU 76 HA LEU 76 13.511 -3.176 -16.676 582 HB2 LEU 76 2HB LEU 76 13.965 -3.733 -13.788 583 HB3 LEU 76 3HB LEU 76 12.745 -4.673 -14.644 584 HG LEU 76 HG LEU 76 15.679 -4.516 -15.332 585 HD11 LEU 76 1HD1 LEU 76 15.709 -6.866 -14.655 586 HD12 LEU 76 2HD1 LEU 76 14.017 -6.749 -14.173 587 HD13 LEU 76 3HD1 LEU 76 15.244 -5.812 -13.320 588 HD21 LEU 76 1HD2 LEU 76 13.338 -5.816 -16.678 589 HD22 LEU 76 2HD2 LEU 76 14.965 -6.477 -16.841 590 HD23 LEU 76 3HD2 LEU 76 14.622 -4.833 -17.381 591 H VAL 77 H VAL 77 12.268 -1.897 -13.587 592 HA VAL 77 HA VAL 77 9.586 -2.395 -13.934 593 HB VAL 77 HB VAL 77 10.913 -0.034 -12.606 594 HG11 VAL 77 1HG1 VAL 77 8.095 -0.557 -13.137 595 HG12 VAL 77 2HG1 VAL 77 8.450 -0.312 -11.426 596 HG13 VAL 77 3HG1 VAL 77 8.893 0.923 -12.605 597 HG21 VAL 77 1HG2 VAL 77 11.231 -2.452 -11.785 598 HG22 VAL 77 2HG2 VAL 77 10.751 -1.228 -10.609 599 HG23 VAL 77 3HG2 VAL 77 9.550 -2.342 -11.263 600 H LEU 78 H LEU 78 11.276 0.619 -14.823 601 HA LEU 78 HA LEU 78 9.127 1.903 -16.032 602 HB2 LEU 78 2HB LEU 78 11.392 2.856 -15.458 603 HB3 LEU 78 3HB LEU 78 11.988 2.117 -16.943 604 HG LEU 78 HG LEU 78 10.361 3.502 -18.216 605 HD11 LEU 78 1HD1 LEU 78 9.148 3.879 -15.791 606 HD12 LEU 78 2HD1 LEU 78 8.840 4.820 -17.250 607 HD13 LEU 78 3HD1 LEU 78 9.983 5.412 -16.044 608 HD21 LEU 78 1HD2 LEU 78 12.532 4.341 -18.236 609 HD22 LEU 78 2HD2 LEU 78 12.494 4.752 -16.521 610 HD23 LEU 78 3HD2 LEU 78 11.570 5.710 -17.679 611 H GLY 79 H GLY 79 11.081 -0.716 -17.167 612 HA2 GLY 79 2HA GLY 79 10.738 -0.461 -19.937 613 HA3 GLY 79 3HA GLY 79 11.007 -1.974 -19.084 614 H ALA 80 H ALA 80 8.443 -1.190 -17.517 615 HA ALA 80 HA ALA 80 6.620 -2.421 -19.460 616 HB1 ALA 80 1HB ALA 80 6.983 -2.639 -16.573 617 HB2 ALA 80 2HB ALA 80 5.298 -2.456 -17.061 618 HB3 ALA 80 3HB ALA 80 6.267 -3.775 -17.717 619 H LEU 81 H LEU 81 7.035 0.383 -17.401 620 HA LEU 81 HA LEU 81 4.401 1.419 -17.800 621 HB2 LEU 81 2HB LEU 81 6.949 2.681 -16.812 622 HB3 LEU 81 3HB LEU 81 5.405 3.527 -16.881 623 HG LEU 81 HG LEU 81 4.600 1.509 -15.398 624 HD11 LEU 81 1HD1 LEU 81 6.642 0.226 -15.506 625 HD12 LEU 81 2HD1 LEU 81 6.377 0.782 -13.854 626 HD13 LEU 81 3HD1 LEU 81 7.568 1.588 -14.876 627 HD21 LEU 81 1HD2 LEU 81 5.341 2.834 -13.377 628 HD22 LEU 81 2HD2 LEU 81 4.444 3.728 -14.604 629 HD23 LEU 81 3HD2 LEU 81 6.197 3.893 -14.498 630 H LYS 82 H LYS 82 7.561 1.982 -19.275 631 HA LYS 82 HA LYS 82 7.027 4.182 -20.844 632 HB2 LYS 82 2HB LYS 82 9.095 2.356 -20.624 633 HB3 LYS 82 3HB LYS 82 8.549 2.146 -22.283 634 HG2 LYS 82 2HG LYS 82 9.481 4.056 -22.928 635 HG3 LYS 82 3HG LYS 82 8.786 4.943 -21.569 636 HD2 LYS 82 2HD LYS 82 10.638 3.692 -20.201 637 HD3 LYS 82 3HD LYS 82 11.412 3.537 -21.780 638 HE2 LYS 82 2HE LYS 82 10.445 6.218 -21.391 639 HE3 LYS 82 3HE LYS 82 11.479 5.739 -20.046 640 HZ1 LYS 82 1HZ LYS 82 13.278 5.403 -21.442 641 HZ2 LYS 82 2HZ LYS 82 12.558 6.785 -22.100 642 HZ3 LYS 82 3HZ LYS 82 12.325 5.279 -22.834 643 H ALA 83 H ALA 83 6.265 0.791 -21.490 644 HA ALA 83 HA ALA 83 5.069 1.425 -24.052 645 HB1 ALA 83 1HB ALA 83 4.361 -1.170 -23.478 646 HB2 ALA 83 2HB ALA 83 5.788 -0.661 -24.382 647 HB3 ALA 83 3HB ALA 83 5.909 -0.984 -22.653 648 H ALA 84 H ALA 84 4.074 0.996 -20.764 649 HA ALA 84 HA ALA 84 1.387 0.308 -21.103 650 HB1 ALA 84 1HB ALA 84 2.024 2.180 -18.910 651 HB2 ALA 84 2HB ALA 84 1.190 0.627 -18.874 652 HB3 ALA 84 3HB ALA 84 2.951 0.680 -18.958 653 H ARG 85 H ARG 85 3.009 3.424 -21.275 654 HA ARG 85 HA ARG 85 0.455 4.783 -21.706 655 HB2 ARG 85 2HB ARG 85 1.598 6.823 -21.347 656 HB3 ARG 85 3HB ARG 85 2.245 5.703 -20.155 657 HG2 ARG 85 2HG ARG 85 3.960 5.358 -22.253 658 HG3 ARG 85 3HG ARG 85 3.574 7.077 -22.357 659 HD2 ARG 85 2HD ARG 85 3.979 6.858 -19.711 660 HD3 ARG 85 3HD ARG 85 5.048 5.577 -20.282 661 HE ARG 85 HE ARG 85 5.514 8.363 -20.452 662 HH11 ARG 85 1HH1 ARG 85 5.943 5.398 -22.226 663 HH12 ARG 85 2HH1 ARG 85 7.329 5.967 -23.096 664 HH21 ARG 85 1HH2 ARG 85 7.338 9.123 -21.591 665 HH22 ARG 85 2HH2 ARG 85 8.122 8.085 -22.733 666 H GLU 86 H GLU 86 3.314 3.743 -23.387 667 HA GLU 86 HA GLU 86 4.013 3.950 -25.554 668 HB2 GLU 86 2HB GLU 86 1.093 3.422 -25.631 669 HB3 GLU 86 3HB GLU 86 1.847 3.914 -27.141 670 HG2 GLU 86 2HG GLU 86 2.954 1.973 -27.381 671 HG3 GLU 86 3HG GLU 86 3.252 1.804 -25.652 672 H GLU 87 H GLU 87 4.739 6.162 -25.098 673 HA GLU 87 HA GLU 87 3.088 8.375 -25.869 674 HB2 GLU 87 2HB GLU 87 5.483 8.038 -24.446 675 HB3 GLU 87 3HB GLU 87 5.912 8.985 -25.863 676 HG2 GLU 87 2HG GLU 87 3.672 10.266 -25.079 677 HG3 GLU 87 3HG GLU 87 4.287 9.704 -23.526 Start of MODEL 16 1 H1 SER 1 H SER 1 -0.600 0.724 -0.579 2 HA SER 1 HA SER 1 1.004 1.345 -2.092 3 HB2 SER 1 2HB SER 1 3.489 1.079 -1.221 4 HB3 SER 1 3HB SER 1 2.477 2.413 -0.669 5 HG SER 1 HG SER 1 2.576 1.631 1.271 6 H GLU 2 H GLU 2 1.175 -1.636 -0.338 7 HA GLU 2 HA GLU 2 2.985 -3.117 -1.803 8 HB2 GLU 2 2HB GLU 2 1.715 -5.099 -1.121 9 HB3 GLU 2 3HB GLU 2 1.894 -3.966 0.211 10 HG2 GLU 2 2HG GLU 2 -0.397 -3.131 -0.277 11 HG3 GLU 2 3HG GLU 2 -0.558 -4.419 -1.470 12 H ALA 3 H ALA 3 -0.315 -2.230 -2.608 13 HA ALA 3 HA ALA 3 -0.797 -3.951 -4.735 14 HB1 ALA 3 1HB ALA 3 -2.698 -2.821 -4.320 15 HB2 ALA 3 2HB ALA 3 -1.846 -1.350 -3.848 16 HB3 ALA 3 3HB ALA 3 -2.083 -1.722 -5.555 17 H VAL 4 H VAL 4 0.882 -0.835 -4.690 18 HA VAL 4 HA VAL 4 1.225 -0.459 -7.421 19 HB VAL 4 HB VAL 4 3.154 0.266 -5.210 20 HG11 VAL 4 1HG1 VAL 4 2.906 1.348 -8.015 21 HG12 VAL 4 2HG1 VAL 4 3.985 1.967 -6.763 22 HG13 VAL 4 3HG1 VAL 4 4.216 0.339 -7.403 23 HG21 VAL 4 1HG2 VAL 4 2.056 2.499 -5.391 24 HG22 VAL 4 2HG2 VAL 4 0.845 1.763 -6.441 25 HG23 VAL 4 3HG2 VAL 4 1.005 1.227 -4.769 26 H ILE 5 H ILE 5 3.525 -1.972 -5.149 27 HA ILE 5 HA ILE 5 5.388 -2.786 -7.069 28 HB ILE 5 HB ILE 5 4.762 -4.094 -4.419 29 HG12 ILE 5 2HG1 ILE 5 6.902 -2.067 -5.093 30 HG13 ILE 5 3HG1 ILE 5 5.362 -1.655 -4.347 31 HG21 ILE 5 1HG2 ILE 5 7.438 -4.455 -4.942 32 HG22 ILE 5 2HG2 ILE 5 6.174 -5.669 -5.128 33 HG23 ILE 5 3HG2 ILE 5 6.683 -4.708 -6.516 34 HD11 ILE 5 1HD1 ILE 5 7.773 -2.718 -3.160 35 HD12 ILE 5 2HD1 ILE 5 6.381 -1.944 -2.401 36 HD13 ILE 5 3HD1 ILE 5 6.350 -3.673 -2.746 37 H LYS 6 H LYS 6 2.318 -4.102 -6.198 38 HA LYS 6 HA LYS 6 2.819 -6.701 -7.357 39 HB2 LYS 6 2HB LYS 6 0.357 -5.366 -6.242 40 HB3 LYS 6 3HB LYS 6 0.302 -6.950 -7.004 41 HG2 LYS 6 2HG LYS 6 1.919 -7.779 -5.346 42 HG3 LYS 6 3HG LYS 6 1.896 -6.198 -4.562 43 HD2 LYS 6 2HD LYS 6 -0.791 -7.064 -4.894 44 HD3 LYS 6 3HD LYS 6 0.130 -8.392 -4.185 45 HE2 LYS 6 2HE LYS 6 0.814 -7.057 -2.352 46 HE3 LYS 6 3HE LYS 6 0.259 -5.577 -3.132 47 HZ1 LYS 6 1HZ LYS 6 -1.594 -7.765 -2.397 48 HZ2 LYS 6 2HZ LYS 6 -1.972 -6.165 -2.792 49 HZ3 LYS 6 3HZ LYS 6 -1.205 -6.515 -1.326 50 H VAL 7 H VAL 7 1.594 -3.630 -8.380 51 HA VAL 7 HA VAL 7 0.220 -4.594 -10.705 52 HB VAL 7 HB VAL 7 1.175 -1.805 -10.039 53 HG11 VAL 7 1HG1 VAL 7 0.788 -1.545 -12.256 54 HG12 VAL 7 2HG1 VAL 7 -0.280 -2.947 -12.347 55 HG13 VAL 7 3HG1 VAL 7 -0.883 -1.419 -11.705 56 HG21 VAL 7 1HG2 VAL 7 -0.643 -1.536 -8.771 57 HG22 VAL 7 2HG2 VAL 7 -1.686 -2.324 -9.955 58 HG23 VAL 7 3HG2 VAL 7 -0.784 -3.294 -8.790 59 H ILE 8 H ILE 8 3.390 -3.158 -10.062 60 HA ILE 8 HA ILE 8 4.198 -3.077 -12.791 61 HB ILE 8 HB ILE 8 5.930 -3.084 -10.317 62 HG12 ILE 8 2HG1 ILE 8 5.631 -0.532 -11.639 63 HG13 ILE 8 3HG1 ILE 8 4.057 -1.172 -11.178 64 HG21 ILE 8 1HG2 ILE 8 7.628 -2.083 -11.723 65 HG22 ILE 8 2HG2 ILE 8 7.123 -3.631 -12.399 66 HG23 ILE 8 3HG2 ILE 8 6.540 -2.126 -13.110 67 HD11 ILE 8 1HD1 ILE 8 4.699 0.083 -9.344 68 HD12 ILE 8 2HD1 ILE 8 5.135 -1.562 -8.878 69 HD13 ILE 8 3HD1 ILE 8 6.378 -0.446 -9.443 70 H SER 9 H SER 9 4.287 -5.494 -10.292 71 HA SER 9 HA SER 9 6.236 -7.172 -11.539 72 HB2 SER 9 2HB SER 9 5.469 -7.126 -9.055 73 HB3 SER 9 3HB SER 9 4.162 -8.174 -9.606 74 HG SER 9 HG SER 9 5.644 -9.645 -9.212 75 H SER 10 H SER 10 3.099 -6.412 -12.344 76 HA SER 10 HA SER 10 2.644 -9.010 -13.651 77 HB2 SER 10 2HB SER 10 0.916 -7.887 -12.018 78 HB3 SER 10 3HB SER 10 0.514 -6.913 -13.432 79 HG SER 10 HG SER 10 0.104 -9.622 -12.955 80 H ALA 11 H ALA 11 3.318 -5.693 -14.183 81 HA ALA 11 HA ALA 11 2.400 -5.678 -16.930 82 HB1 ALA 11 1HB ALA 11 2.479 -3.688 -15.258 83 HB2 ALA 11 2HB ALA 11 4.163 -3.563 -15.769 84 HB3 ALA 11 3HB ALA 11 2.868 -3.418 -16.957 85 H CYS 12 H CYS 12 5.391 -6.101 -15.166 86 HA CYS 12 HA CYS 12 7.108 -5.841 -17.435 87 HB2 CYS 12 2HB CYS 12 7.433 -6.748 -14.606 88 HB3 CYS 12 3HB CYS 12 8.688 -7.152 -15.771 89 HG CYS 12 HG CYS 12 7.664 -4.003 -14.911 90 H LYS 13 H LYS 13 5.441 -8.489 -15.860 91 HA LYS 13 HA LYS 13 6.813 -10.585 -17.207 92 HB2 LYS 13 2HB LYS 13 4.022 -10.695 -16.060 93 HB3 LYS 13 3HB LYS 13 5.122 -12.042 -16.323 94 HG2 LYS 13 2HG LYS 13 5.695 -9.789 -14.416 95 HG3 LYS 13 3HG LYS 13 4.887 -11.286 -13.947 96 HD2 LYS 13 2HD LYS 13 7.619 -11.134 -15.218 97 HD3 LYS 13 3HD LYS 13 7.325 -11.293 -13.484 98 HE2 LYS 13 2HE LYS 13 5.798 -13.283 -14.794 99 HE3 LYS 13 3HE LYS 13 7.419 -13.325 -15.485 100 HZ1 LYS 13 1HZ LYS 13 7.771 -13.077 -12.764 101 HZ2 LYS 13 2HZ LYS 13 8.031 -14.461 -13.700 102 HZ3 LYS 13 3HZ LYS 13 6.538 -14.221 -12.942 103 H THR 14 H THR 14 4.622 -8.292 -18.288 104 HA THR 14 HA THR 14 3.802 -10.003 -20.544 105 HB THR 14 HB THR 14 2.397 -7.594 -19.378 106 HG1 THR 14 HG1 THR 14 0.850 -9.091 -18.790 107 HG21 THR 14 1HG2 THR 14 0.674 -8.713 -21.187 108 HG22 THR 14 2HG2 THR 14 2.224 -8.854 -22.016 109 HG23 THR 14 3HG2 THR 14 1.653 -7.276 -21.475 110 H TYR 15 H TYR 15 5.283 -7.015 -19.562 111 HA TYR 15 HA TYR 15 5.536 -6.148 -22.351 112 HB2 TYR 15 2HB TYR 15 5.924 -4.740 -19.718 113 HB3 TYR 15 3HB TYR 15 6.517 -4.055 -21.226 114 HD1 TYR 15 HD1 TYR 15 3.350 -5.673 -20.053 115 HD2 TYR 15 HD2 TYR 15 5.164 -2.423 -22.114 116 HE1 TYR 15 HE1 TYR 15 1.127 -4.712 -20.483 117 HE2 TYR 15 HE2 TYR 15 2.946 -1.453 -22.549 118 HH TYR 15 HH TYR 15 0.490 -2.487 -22.730 119 H CYS 16 H CYS 16 7.594 -6.392 -19.445 120 HA CYS 16 HA CYS 16 10.022 -6.228 -20.914 121 HB2 CYS 16 2HB CYS 16 9.299 -6.907 -18.086 122 HB3 CYS 16 3HB CYS 16 10.933 -7.215 -18.659 123 HG CYS 16 HG CYS 16 11.753 -4.722 -18.822 124 H GLY 17 H GLY 17 7.833 -8.778 -20.266 125 HA2 GLY 17 2HA GLY 17 7.835 -10.945 -21.063 126 HA3 GLY 17 3HA GLY 17 9.382 -10.615 -21.829 127 H LYS 18 H LYS 18 10.965 -11.863 -21.127 128 HA LYS 18 HA LYS 18 10.767 -13.042 -18.451 129 HB2 LYS 18 2HB LYS 18 11.091 -14.513 -20.459 130 HB3 LYS 18 3HB LYS 18 12.669 -13.770 -20.683 131 HG2 LYS 18 2HG LYS 18 12.780 -15.946 -19.541 132 HG3 LYS 18 3HG LYS 18 13.428 -14.625 -18.566 133 HD2 LYS 18 2HD LYS 18 11.845 -14.858 -16.985 134 HD3 LYS 18 3HD LYS 18 10.566 -15.132 -18.171 135 HE2 LYS 18 2HE LYS 18 11.117 -17.427 -18.366 136 HE3 LYS 18 3HE LYS 18 12.634 -17.210 -17.495 137 HZ1 LYS 18 1HZ LYS 18 11.268 -16.594 -15.524 138 HZ2 LYS 18 2HZ LYS 18 11.085 -18.201 -16.019 139 HZ3 LYS 18 3HZ LYS 18 9.888 -17.063 -16.383 140 H THR 19 H THR 19 11.368 -10.559 -18.029 141 HA THR 19 HA THR 19 14.087 -10.633 -17.072 142 HB THR 19 HB THR 19 14.378 -8.217 -18.139 143 HG1 THR 19 HG1 THR 19 12.215 -8.733 -19.259 144 HG21 THR 19 1HG2 THR 19 15.382 -10.788 -18.659 145 HG22 THR 19 2HG2 THR 19 16.103 -9.243 -19.110 146 HG23 THR 19 3HG2 THR 19 15.030 -10.077 -20.233 147 H SER 20 H SER 20 11.207 -10.296 -16.193 148 HA SER 20 HA SER 20 10.854 -7.666 -15.227 149 HB2 SER 20 2HB SER 20 9.149 -8.698 -13.723 150 HB3 SER 20 3HB SER 20 8.959 -9.166 -15.412 151 HG SER 20 HG SER 20 10.490 -10.990 -14.524 152 HA PRO 21 HA PRO 21 13.439 -7.452 -11.688 153 HB2 PRO 21 2HB PRO 21 11.935 -5.921 -10.026 154 HB3 PRO 21 3HB PRO 21 12.743 -5.274 -11.459 155 HG2 PRO 21 2HG PRO 21 9.884 -6.088 -11.101 156 HG3 PRO 21 3HG PRO 21 10.547 -4.662 -11.920 157 HD2 PRO 21 2HD PRO 21 9.704 -6.855 -13.267 158 HD3 PRO 21 3HD PRO 21 11.043 -5.839 -13.839 159 H SER 22 H SER 22 13.403 -7.743 -9.246 160 HA SER 22 HA SER 22 11.877 -10.162 -8.652 161 HB2 SER 22 2HB SER 22 14.511 -9.303 -8.074 162 HB3 SER 22 3HB SER 22 13.664 -9.407 -6.530 163 HG SER 22 HG SER 22 13.966 -11.441 -8.481 164 H LYS 23 H LYS 23 10.413 -10.338 -7.024 165 HA LYS 23 HA LYS 23 8.919 -8.161 -6.221 166 HB2 LYS 23 2HB LYS 23 9.091 -10.984 -5.504 167 HB3 LYS 23 3HB LYS 23 8.571 -9.978 -4.158 168 HG2 LYS 23 2HG LYS 23 6.800 -9.034 -5.612 169 HG3 LYS 23 3HG LYS 23 7.282 -10.173 -6.872 170 HD2 LYS 23 2HD LYS 23 6.165 -11.847 -5.904 171 HD3 LYS 23 3HD LYS 23 6.858 -11.488 -4.321 172 HE2 LYS 23 2HE LYS 23 4.638 -9.845 -5.503 173 HE3 LYS 23 3HE LYS 23 4.322 -11.306 -4.568 174 HZ1 LYS 23 1HZ LYS 23 5.572 -8.784 -3.662 175 HZ2 LYS 23 2HZ LYS 23 5.751 -10.223 -2.791 176 HZ3 LYS 23 3HZ LYS 23 4.210 -9.569 -3.036 177 H LYS 24 H LYS 24 11.809 -9.498 -4.795 178 HA LYS 24 HA LYS 24 11.577 -7.943 -2.369 179 HB2 LYS 24 2HB LYS 24 12.648 -10.133 -2.291 180 HB3 LYS 24 3HB LYS 24 13.852 -9.609 -3.462 181 HG2 LYS 24 2HG LYS 24 14.847 -9.562 -1.299 182 HG3 LYS 24 3HG LYS 24 14.606 -7.894 -1.824 183 HD2 LYS 24 2HD LYS 24 12.903 -7.524 -0.310 184 HD3 LYS 24 3HD LYS 24 12.499 -9.238 -0.188 185 HE2 LYS 24 2HE LYS 24 13.867 -9.510 1.547 186 HE3 LYS 24 3HE LYS 24 15.203 -8.742 0.690 187 HZ1 LYS 24 1HZ LYS 24 14.494 -7.615 2.785 188 HZ2 LYS 24 2HZ LYS 24 13.039 -7.216 2.023 189 HZ3 LYS 24 3HZ LYS 24 14.501 -6.618 1.419 190 H GLU 25 H GLU 25 13.179 -7.705 -5.466 191 HA GLU 25 HA GLU 25 14.943 -5.583 -4.728 192 HB2 GLU 25 2HB GLU 25 14.261 -7.064 -7.167 193 HB3 GLU 25 3HB GLU 25 14.666 -5.377 -7.452 194 HG2 GLU 25 2HG GLU 25 16.505 -6.759 -5.648 195 HG3 GLU 25 3HG GLU 25 16.455 -7.418 -7.282 196 H ILE 26 H ILE 26 11.823 -5.743 -6.408 197 HA ILE 26 HA ILE 26 11.533 -3.076 -7.095 198 HB ILE 26 HB ILE 26 9.365 -4.975 -6.189 199 HG12 ILE 26 2HG1 ILE 26 10.212 -4.293 -9.007 200 HG13 ILE 26 3HG1 ILE 26 10.834 -5.688 -8.131 201 HG21 ILE 26 1HG2 ILE 26 7.894 -3.512 -7.581 202 HG22 ILE 26 2HG2 ILE 26 8.516 -2.745 -6.120 203 HG23 ILE 26 3HG2 ILE 26 9.230 -2.366 -7.687 204 HD11 ILE 26 1HD1 ILE 26 9.044 -6.879 -8.644 205 HD12 ILE 26 2HD1 ILE 26 7.962 -5.627 -8.033 206 HD13 ILE 26 3HD1 ILE 26 8.541 -5.558 -9.698 207 H GLY 27 H GLY 27 11.151 -4.632 -3.986 208 HA2 GLY 27 2HA GLY 27 9.802 -2.451 -2.720 209 HA3 GLY 27 3HA GLY 27 10.572 -3.808 -1.912 210 H ALA 28 H ALA 28 13.121 -3.173 -3.398 211 HA ALA 28 HA ALA 28 14.105 -1.247 -1.453 212 HB1 ALA 28 1HB ALA 28 16.182 -2.137 -1.765 213 HB2 ALA 28 2HB ALA 28 15.196 -3.522 -2.234 214 HB3 ALA 28 3HB ALA 28 15.900 -2.483 -3.472 215 H MET 29 H MET 29 12.717 -1.001 -4.394 216 HA MET 29 HA MET 29 14.454 1.192 -5.295 217 HB2 MET 29 2HB MET 29 13.993 -0.591 -6.940 218 HB3 MET 29 3HB MET 29 12.271 -0.262 -6.800 219 HG2 MET 29 2HG MET 29 14.070 1.983 -7.526 220 HG3 MET 29 3HG MET 29 13.736 0.752 -8.741 221 HE1 MET 29 1HE MET 29 11.074 1.102 -10.286 222 HE2 MET 29 2HE MET 29 11.552 -0.157 -9.147 223 HE3 MET 29 3HE MET 29 9.994 0.652 -8.966 224 H LEU 30 H LEU 30 10.975 0.410 -5.113 225 HA LEU 30 HA LEU 30 9.950 2.933 -5.511 226 HB2 LEU 30 2HB LEU 30 9.018 0.521 -4.053 227 HB3 LEU 30 3HB LEU 30 8.144 2.028 -3.785 228 HG LEU 30 HG LEU 30 7.036 0.701 -5.477 229 HD11 LEU 30 1HD1 LEU 30 6.473 2.607 -6.453 230 HD12 LEU 30 2HD1 LEU 30 7.964 2.586 -7.394 231 HD13 LEU 30 3HD1 LEU 30 7.932 3.363 -5.811 232 HD21 LEU 30 1HD2 LEU 30 9.720 0.749 -6.835 233 HD22 LEU 30 2HD2 LEU 30 8.222 0.354 -7.679 234 HD23 LEU 30 3HD2 LEU 30 8.773 -0.654 -6.340 235 H SER 31 H SER 31 11.428 1.599 -2.644 236 HA SER 31 HA SER 31 10.578 3.718 -0.904 237 HB2 SER 31 2HB SER 31 11.028 1.612 0.129 238 HB3 SER 31 3HB SER 31 12.624 1.514 -0.614 239 HG SER 31 HG SER 31 13.382 2.612 0.998 240 H LEU 32 H LEU 32 13.615 2.860 -2.532 241 HA LEU 32 HA LEU 32 15.251 4.860 -1.566 242 HB2 LEU 32 2HB LEU 32 15.921 2.969 -3.045 243 HB3 LEU 32 3HB LEU 32 15.221 3.847 -4.404 244 HG LEU 32 HG LEU 32 17.757 3.942 -4.088 245 HD11 LEU 32 1HD1 LEU 32 17.569 5.628 -5.511 246 HD12 LEU 32 2HD1 LEU 32 17.117 6.724 -4.206 247 HD13 LEU 32 3HD1 LEU 32 15.875 5.799 -5.050 248 HD21 LEU 32 1HD2 LEU 32 18.587 5.610 -2.541 249 HD22 LEU 32 2HD2 LEU 32 17.701 4.364 -1.662 250 HD23 LEU 32 3HD2 LEU 32 16.951 5.931 -1.968 251 H LEU 33 H LEU 33 13.131 4.985 -4.420 252 HA LEU 33 HA LEU 33 13.707 7.528 -5.314 253 HB2 LEU 33 2HB LEU 33 10.992 6.220 -5.248 254 HB3 LEU 33 3HB LEU 33 11.474 7.556 -6.291 255 HG LEU 33 HG LEU 33 12.625 4.769 -6.401 256 HD11 LEU 33 1HD1 LEU 33 11.393 4.745 -8.615 257 HD12 LEU 33 2HD1 LEU 33 10.493 6.138 -8.016 258 HD13 LEU 33 3HD1 LEU 33 10.404 4.597 -7.162 259 HD21 LEU 33 1HD2 LEU 33 14.211 6.444 -7.133 260 HD22 LEU 33 2HD2 LEU 33 12.996 7.175 -8.182 261 HD23 LEU 33 3HD2 LEU 33 13.596 5.552 -8.525 262 H GLN 34 H GLN 34 11.397 6.562 -2.804 263 HA GLN 34 HA GLN 34 10.383 9.140 -2.288 264 HB2 GLN 34 2HB GLN 34 10.576 6.777 -0.412 265 HB3 GLN 34 3HB GLN 34 9.549 8.187 -0.186 266 HG2 GLN 34 2HG GLN 34 8.219 7.612 -2.079 267 HG3 GLN 34 3HG GLN 34 9.332 6.325 -2.536 268 HE21 GLN 34 1HE2 GLN 34 6.638 7.204 -0.647 269 HE22 GLN 34 2HE2 GLN 34 6.393 5.682 0.133 270 H LYS 35 H LYS 35 13.003 7.287 -0.777 271 HA LYS 35 HA LYS 35 13.653 9.152 1.218 272 HB2 LYS 35 2HB LYS 35 14.441 6.701 0.891 273 HB3 LYS 35 3HB LYS 35 15.711 7.405 -0.101 274 HG2 LYS 35 2HG LYS 35 16.300 8.850 1.871 275 HG3 LYS 35 3HG LYS 35 15.188 7.863 2.823 276 HD2 LYS 35 2HD LYS 35 17.259 6.476 1.200 277 HD3 LYS 35 3HD LYS 35 17.772 7.302 2.673 278 HE2 LYS 35 2HE LYS 35 15.646 6.000 3.635 279 HE3 LYS 35 3HE LYS 35 16.074 4.900 2.325 280 HZ1 LYS 35 1HZ LYS 35 18.436 5.548 3.618 281 HZ2 LYS 35 2HZ LYS 35 17.623 4.065 3.645 282 HZ3 LYS 35 3HZ LYS 35 17.314 5.221 4.841 283 H GLU 36 H GLU 36 15.205 8.603 -1.948 284 HA GLU 36 HA GLU 36 17.053 10.655 -1.863 285 HB2 GLU 36 2HB GLU 36 16.176 8.824 -3.765 286 HB3 GLU 36 3HB GLU 36 15.871 10.388 -4.507 287 HG2 GLU 36 2HG GLU 36 18.474 10.330 -3.282 288 HG3 GLU 36 3HG GLU 36 18.280 8.997 -4.419 289 H GLY 37 H GLY 37 13.616 10.804 -2.390 290 HA2 GLY 37 2HA GLY 37 12.381 12.797 -1.975 291 HA3 GLY 37 3HA GLY 37 13.803 13.734 -2.409 292 H LEU 38 H LEU 38 12.772 11.055 -4.374 293 HA LEU 38 HA LEU 38 12.394 12.839 -6.619 294 HB2 LEU 38 2HB LEU 38 12.242 9.839 -6.388 295 HB3 LEU 38 3HB LEU 38 12.074 10.734 -7.897 296 HG LEU 38 HG LEU 38 14.542 10.560 -6.170 297 HD11 LEU 38 1HD1 LEU 38 15.265 9.674 -8.599 298 HD12 LEU 38 2HD1 LEU 38 13.581 9.150 -8.575 299 HD13 LEU 38 3HD1 LEU 38 14.688 8.619 -7.309 300 HD21 LEU 38 1HD2 LEU 38 15.141 11.672 -8.670 301 HD22 LEU 38 2HD2 LEU 38 15.188 12.471 -7.098 302 HD23 LEU 38 3HD2 LEU 38 13.725 12.543 -8.082 303 H LEU 39 H LEU 39 10.438 10.459 -4.846 304 HA LEU 39 HA LEU 39 8.036 11.891 -5.740 305 HB2 LEU 39 2HB LEU 39 6.976 9.503 -5.706 306 HB3 LEU 39 3HB LEU 39 7.824 10.093 -7.134 307 HG LEU 39 HG LEU 39 9.858 8.844 -6.256 308 HD11 LEU 39 1HD1 LEU 39 9.363 8.413 -4.016 309 HD12 LEU 39 2HD1 LEU 39 9.149 6.854 -4.811 310 HD13 LEU 39 3HD1 LEU 39 7.741 7.829 -4.389 311 HD21 LEU 39 1HD2 LEU 39 7.459 7.851 -7.569 312 HD22 LEU 39 2HD2 LEU 39 8.394 6.573 -6.793 313 HD23 LEU 39 3HD2 LEU 39 9.157 7.624 -7.988 314 H MET 40 H MET 40 6.095 11.287 -4.401 315 HA MET 40 HA MET 40 6.907 11.185 -1.594 316 HB2 MET 40 2HB MET 40 4.233 11.896 -2.813 317 HB3 MET 40 3HB MET 40 4.658 12.034 -1.113 318 HG2 MET 40 2HG MET 40 6.438 13.448 -2.974 319 HG3 MET 40 3HG MET 40 4.787 14.057 -2.886 320 HE1 MET 40 1HE MET 40 7.861 15.744 -0.499 321 HE2 MET 40 2HE MET 40 8.300 14.167 -1.156 322 HE3 MET 40 3HE MET 40 7.596 15.396 -2.208 323 H SER 41 H SER 41 5.240 9.347 -4.002 324 HA SER 41 HA SER 41 4.842 7.200 -2.055 325 HB2 SER 41 2HB SER 41 2.607 6.847 -3.535 326 HB3 SER 41 3HB SER 41 2.632 7.749 -2.020 327 HG SER 41 HG SER 41 3.009 8.916 -4.578 328 HA PRO 42 HA PRO 42 6.328 4.526 -5.197 329 HB2 PRO 42 2HB PRO 42 4.826 2.294 -4.835 330 HB3 PRO 42 3HB PRO 42 6.092 2.793 -3.707 331 HG2 PRO 42 2HG PRO 42 3.129 3.182 -3.524 332 HG3 PRO 42 3HG PRO 42 4.274 2.695 -2.260 333 HD2 PRO 42 2HD PRO 42 3.339 5.226 -2.482 334 HD3 PRO 42 3HD PRO 42 4.968 4.860 -1.879 335 H SER 43 H SER 43 2.861 5.062 -5.084 336 HA SER 43 HA SER 43 2.241 3.887 -7.589 337 HB2 SER 43 2HB SER 43 0.268 5.726 -7.264 338 HB3 SER 43 3HB SER 43 0.280 4.150 -6.473 339 HG SER 43 HG SER 43 1.425 6.478 -5.332 340 H ASP 44 H ASP 44 3.802 6.782 -6.733 341 HA ASP 44 HA ASP 44 3.041 8.443 -8.886 342 HB2 ASP 44 2HB ASP 44 4.668 8.691 -6.646 343 HB3 ASP 44 3HB ASP 44 5.784 8.853 -7.999 344 H LEU 45 H LEU 45 4.918 5.628 -8.786 345 HA LEU 45 HA LEU 45 6.867 6.060 -10.720 346 HB2 LEU 45 2HB LEU 45 5.994 3.923 -9.241 347 HB3 LEU 45 3HB LEU 45 5.580 3.440 -10.885 348 HG LEU 45 HG LEU 45 8.026 3.992 -11.449 349 HD11 LEU 45 1HD1 LEU 45 7.986 4.335 -8.528 350 HD12 LEU 45 2HD1 LEU 45 9.071 5.014 -9.740 351 HD13 LEU 45 3HD1 LEU 45 9.314 3.365 -9.164 352 HD21 LEU 45 1HD2 LEU 45 7.020 1.724 -11.317 353 HD22 LEU 45 2HD2 LEU 45 7.485 1.659 -9.616 354 HD23 LEU 45 3HD2 LEU 45 8.725 1.771 -10.866 355 H TYR 46 H TYR 46 3.448 5.782 -11.047 356 HA TYR 46 HA TYR 46 3.570 5.245 -13.902 357 HB2 TYR 46 2HB TYR 46 1.091 5.928 -12.334 358 HB3 TYR 46 3HB TYR 46 1.218 5.011 -13.830 359 HD1 TYR 46 HD1 TYR 46 0.109 4.479 -10.801 360 HD2 TYR 46 HD2 TYR 46 3.341 3.085 -13.191 361 HE1 TYR 46 HE1 TYR 46 0.155 2.388 -9.508 362 HE2 TYR 46 HE2 TYR 46 3.395 0.989 -11.906 363 HH TYR 46 HH TYR 46 0.975 0.282 -9.441 364 H SER 47 H SER 47 4.809 7.657 -13.010 365 HA SER 47 HA SER 47 3.033 9.667 -14.234 366 HB2 SER 47 2HB SER 47 4.125 11.370 -12.897 367 HB3 SER 47 3HB SER 47 3.550 10.090 -11.830 368 HG SER 47 HG SER 47 6.188 10.647 -12.663 369 HA PRO 48 HA PRO 48 6.481 9.171 -17.200 370 HB2 PRO 48 2HB PRO 48 4.980 9.829 -19.365 371 HB3 PRO 48 3HB PRO 48 5.022 8.198 -18.685 372 HG2 PRO 48 2HG PRO 48 2.985 10.358 -18.301 373 HG3 PRO 48 3HG PRO 48 2.739 8.624 -18.577 374 HD2 PRO 48 2HD PRO 48 2.570 9.747 -16.119 375 HD3 PRO 48 3HD PRO 48 3.147 8.088 -16.373 376 H GLY 49 H GLY 49 7.160 11.166 -15.920 377 HA2 GLY 49 2HA GLY 49 7.432 13.351 -17.752 378 HA3 GLY 49 3HA GLY 49 6.374 13.749 -16.406 379 H SER 50 H SER 50 7.787 12.149 -14.464 380 HA SER 50 HA SER 50 10.021 13.977 -13.998 381 HB2 SER 50 2HB SER 50 8.277 12.292 -12.261 382 HB3 SER 50 3HB SER 50 9.911 12.640 -11.697 383 HG SER 50 HG SER 50 9.337 14.624 -11.309 384 H TRP 51 H TRP 51 9.722 11.222 -15.583 385 HA TRP 51 HA TRP 51 11.636 9.497 -14.416 386 HB2 TRP 51 2HB TRP 51 10.696 9.728 -17.282 387 HB3 TRP 51 3HB TRP 51 11.681 8.409 -16.655 388 HD1 TRP 51 HD1 TRP 51 9.717 8.618 -13.835 389 HE1 TRP 51 HE1 TRP 51 7.533 7.260 -13.948 390 HE3 TRP 51 HE3 TRP 51 9.413 7.991 -18.899 391 HZ2 TRP 51 HZ2 TRP 51 5.898 6.080 -15.923 392 HZ3 TRP 51 HZ3 TRP 51 7.508 6.735 -19.820 393 HH2 TRP 51 HH2 TRP 51 5.788 5.799 -18.360 394 H ASP 52 H ASP 52 11.897 12.328 -16.385 395 HA ASP 52 HA ASP 52 14.440 11.923 -17.503 396 HB2 ASP 52 2HB ASP 52 12.612 14.177 -17.107 397 HB3 ASP 52 3HB ASP 52 14.310 14.644 -17.086 398 HA PRO 53 HA PRO 53 16.283 14.271 -13.715 399 HB2 PRO 53 2HB PRO 53 14.623 14.806 -11.634 400 HB3 PRO 53 3HB PRO 53 14.842 15.910 -12.997 401 HG2 PRO 53 2HG PRO 53 12.646 13.941 -12.489 402 HG3 PRO 53 3HG PRO 53 12.539 15.606 -13.087 403 HD2 PRO 53 2HD PRO 53 12.396 13.457 -14.728 404 HD3 PRO 53 3HD PRO 53 13.103 15.003 -15.239 405 H ILE 54 H ILE 54 13.845 11.817 -13.210 406 HA ILE 54 HA ILE 54 15.030 10.764 -10.813 407 HB ILE 54 HB ILE 54 12.877 9.742 -12.651 408 HG12 ILE 54 2HG1 ILE 54 12.796 10.573 -9.744 409 HG13 ILE 54 3HG1 ILE 54 12.385 11.633 -11.088 410 HG21 ILE 54 1HG2 ILE 54 14.425 8.300 -10.612 411 HG22 ILE 54 2HG2 ILE 54 12.674 8.144 -10.478 412 HG23 ILE 54 3HG2 ILE 54 13.488 7.686 -11.973 413 HD11 ILE 54 1HD1 ILE 54 10.369 10.698 -11.369 414 HD12 ILE 54 2HD1 ILE 54 10.959 9.069 -11.039 415 HD13 ILE 54 3HD1 ILE 54 10.602 10.165 -9.704 416 H THR 55 H THR 55 14.944 9.811 -14.228 417 HA THR 55 HA THR 55 16.450 7.440 -13.924 418 HB THR 55 HB THR 55 16.072 9.198 -16.355 419 HG1 THR 55 HG1 THR 55 14.224 8.189 -16.493 420 HG21 THR 55 1HG2 THR 55 17.612 6.713 -15.925 421 HG22 THR 55 2HG2 THR 55 17.825 7.985 -17.126 422 HG23 THR 55 3HG2 THR 55 16.586 6.753 -17.358 423 H ALA 56 H ALA 56 17.381 10.732 -14.892 424 HA ALA 56 HA ALA 56 20.115 10.188 -15.289 425 HB1 ALA 56 1HB ALA 56 18.529 12.674 -14.815 426 HB2 ALA 56 2HB ALA 56 20.292 12.739 -14.808 427 HB3 ALA 56 3HB ALA 56 19.436 12.175 -16.243 428 H ALA 57 H ALA 57 18.271 11.091 -12.432 429 HA ALA 57 HA ALA 57 20.459 11.659 -10.742 430 HB1 ALA 57 1HB ALA 57 18.810 11.242 -8.897 431 HB2 ALA 57 2HB ALA 57 18.300 12.425 -10.102 432 HB3 ALA 57 3HB ALA 57 17.640 10.790 -10.137 433 H LEU 58 H LEU 58 18.639 8.682 -11.361 434 HA LEU 58 HA LEU 58 20.020 7.115 -9.436 435 HB2 LEU 58 2HB LEU 58 18.436 6.333 -11.876 436 HB3 LEU 58 3HB LEU 58 19.050 5.188 -10.684 437 HG LEU 58 HG LEU 58 17.077 7.388 -10.078 438 HD11 LEU 58 1HD1 LEU 58 16.707 4.521 -10.859 439 HD12 LEU 58 2HD1 LEU 58 15.867 5.955 -11.448 440 HD13 LEU 58 3HD1 LEU 58 15.534 5.342 -9.829 441 HD21 LEU 58 1HD2 LEU 58 18.559 6.530 -8.224 442 HD22 LEU 58 2HD2 LEU 58 17.780 4.962 -8.441 443 HD23 LEU 58 3HD2 LEU 58 16.823 6.363 -7.959 444 H SER 59 H SER 59 20.539 7.832 -12.832 445 HA SER 59 HA SER 59 22.479 5.853 -13.352 446 HB2 SER 59 2HB SER 59 21.430 6.964 -15.204 447 HB3 SER 59 3HB SER 59 21.970 8.543 -14.635 448 HG SER 59 HG SER 59 23.201 7.036 -16.335 449 H GLN 60 H GLN 60 22.662 9.036 -11.914 450 HA GLN 60 HA GLN 60 25.555 9.077 -11.948 451 HB2 GLN 60 2HB GLN 60 24.534 11.203 -12.191 452 HB3 GLN 60 3HB GLN 60 23.463 10.929 -10.823 453 HG2 GLN 60 2HG GLN 60 24.940 11.749 -9.389 454 HG3 GLN 60 3HG GLN 60 26.240 10.757 -10.047 455 HE21 GLN 60 1HE2 GLN 60 27.556 11.590 -11.661 456 HE22 GLN 60 2HE2 GLN 60 27.613 13.278 -12.025 457 H ARG 61 H ARG 61 22.978 8.727 -9.536 458 HA ARG 61 HA ARG 61 24.467 8.623 -7.224 459 HB2 ARG 61 2HB ARG 61 21.897 8.428 -7.615 460 HB3 ARG 61 3HB ARG 61 22.207 6.697 -7.644 461 HG2 ARG 61 2HG ARG 61 23.453 7.200 -5.392 462 HG3 ARG 61 3HG ARG 61 22.410 8.624 -5.389 463 HD2 ARG 61 2HD ARG 61 20.444 7.203 -5.585 464 HD3 ARG 61 3HD ARG 61 21.469 5.770 -5.652 465 HE ARG 61 HE ARG 61 20.643 7.168 -3.317 466 HH11 ARG 61 1HH1 ARG 61 23.284 5.361 -4.688 467 HH12 ARG 61 2HH1 ARG 61 23.889 4.831 -3.154 468 HH21 ARG 61 1HH2 ARG 61 21.430 6.476 -1.291 469 HH22 ARG 61 2HH2 ARG 61 22.833 5.464 -1.222 470 H ALA 62 H ALA 62 23.712 5.942 -9.432 471 HA ALA 62 HA ALA 62 24.928 3.875 -8.036 472 HB1 ALA 62 1HB ALA 62 24.892 4.160 -11.036 473 HB2 ALA 62 2HB ALA 62 24.981 2.667 -10.101 474 HB3 ALA 62 3HB ALA 62 23.510 3.639 -10.072 475 H MET 63 H MET 63 26.351 6.480 -9.824 476 HA MET 63 HA MET 63 28.954 5.218 -9.990 477 HB2 MET 63 2HB MET 63 28.187 8.076 -10.603 478 HB3 MET 63 3HB MET 63 29.674 7.264 -11.074 479 HG2 MET 63 2HG MET 63 27.589 5.680 -12.064 480 HG3 MET 63 3HG MET 63 27.142 7.350 -12.409 481 HE1 MET 63 1HE MET 63 28.628 8.765 -14.668 482 HE2 MET 63 2HE MET 63 29.012 8.995 -12.962 483 HE3 MET 63 3HE MET 63 30.304 8.687 -14.123 484 H ILE 64 H ILE 64 27.471 7.933 -8.247 485 HA ILE 64 HA ILE 64 29.689 8.820 -6.842 486 HB ILE 64 HB ILE 64 26.884 8.711 -5.734 487 HG12 ILE 64 2HG1 ILE 64 26.737 9.697 -7.918 488 HG13 ILE 64 3HG1 ILE 64 26.673 11.004 -6.741 489 HG21 ILE 64 1HG2 ILE 64 27.659 9.912 -4.035 490 HG22 ILE 64 2HG2 ILE 64 29.290 9.648 -4.649 491 HG23 ILE 64 3HG2 ILE 64 28.386 11.082 -5.136 492 HD11 ILE 64 1HD1 ILE 64 29.075 10.183 -8.355 493 HD12 ILE 64 2HD1 ILE 64 28.070 11.609 -8.615 494 HD13 ILE 64 3HD1 ILE 64 29.041 11.470 -7.150 495 H LEU 65 H LEU 65 27.639 6.045 -6.268 496 HA LEU 65 HA LEU 65 29.173 5.418 -3.837 497 HB2 LEU 65 2HB LEU 65 26.396 4.952 -4.684 498 HB3 LEU 65 3HB LEU 65 27.168 3.591 -3.874 499 HG LEU 65 HG LEU 65 25.907 4.909 -2.286 500 HD11 LEU 65 1HD1 LEU 65 27.489 4.950 -0.625 501 HD12 LEU 65 2HD1 LEU 65 28.733 5.632 -1.673 502 HD13 LEU 65 3HD1 LEU 65 28.289 3.932 -1.822 503 HD21 LEU 65 1HD2 LEU 65 27.677 7.263 -2.508 504 HD22 LEU 65 2HD2 LEU 65 25.965 7.161 -2.094 505 HD23 LEU 65 3HD2 LEU 65 26.473 7.060 -3.781 506 H GLY 66 H GLY 66 27.556 3.584 -6.445 507 HA2 GLY 66 2HA GLY 66 28.979 2.273 -7.970 508 HA3 GLY 66 3HA GLY 66 29.971 1.884 -6.572 509 H LYS 67 H LYS 67 26.440 1.895 -6.795 510 HA LYS 67 HA LYS 67 26.486 -0.977 -6.144 511 HB2 LYS 67 2HB LYS 67 24.114 -0.489 -5.296 512 HB3 LYS 67 3HB LYS 67 25.461 0.109 -4.336 513 HG2 LYS 67 2HG LYS 67 25.173 2.330 -5.328 514 HG3 LYS 67 3HG LYS 67 23.807 1.724 -6.267 515 HD2 LYS 67 2HD LYS 67 22.851 2.784 -4.396 516 HD3 LYS 67 3HD LYS 67 22.774 1.058 -4.037 517 HE2 LYS 67 2HE LYS 67 25.228 2.403 -3.144 518 HE3 LYS 67 3HE LYS 67 23.752 2.951 -2.350 519 HZ1 LYS 67 1HZ LYS 67 24.464 1.193 -1.045 520 HZ2 LYS 67 2HZ LYS 67 24.942 0.252 -2.367 521 HZ3 LYS 67 3HZ LYS 67 23.298 0.467 -2.033 522 H SER 68 H SER 68 24.718 1.498 -7.975 523 HA SER 68 HA SER 68 23.412 1.382 -9.836 524 HB2 SER 68 2HB SER 68 24.391 -1.122 -10.923 525 HB3 SER 68 3HB SER 68 24.586 0.518 -11.543 526 HG SER 68 HG SER 68 26.446 -0.974 -10.519 527 H GLY 69 H GLY 69 22.623 -0.092 -7.363 528 HA2 GLY 69 2HA GLY 69 21.231 -2.452 -8.223 529 HA3 GLY 69 3HA GLY 69 21.081 -1.663 -6.660 530 H GLU 70 H GLU 70 19.905 0.527 -6.786 531 HA GLU 70 HA GLU 70 17.275 0.120 -7.504 532 HB2 GLU 70 2HB GLU 70 18.483 2.013 -6.092 533 HB3 GLU 70 3HB GLU 70 18.338 2.905 -7.599 534 HG2 GLU 70 2HG GLU 70 15.876 1.567 -6.786 535 HG3 GLU 70 3HG GLU 70 16.446 2.778 -5.639 536 H LEU 71 H LEU 71 19.926 1.277 -9.447 537 HA LEU 71 HA LEU 71 18.506 2.461 -11.548 538 HB2 LEU 71 2HB LEU 71 21.205 1.383 -11.129 539 HB3 LEU 71 3HB LEU 71 20.660 1.376 -12.805 540 HG LEU 71 HG LEU 71 20.845 3.795 -11.009 541 HD11 LEU 71 1HD1 LEU 71 22.920 2.538 -12.149 542 HD12 LEU 71 2HD1 LEU 71 22.839 4.287 -11.943 543 HD13 LEU 71 3HD1 LEU 71 22.418 3.563 -13.494 544 HD21 LEU 71 1HD2 LEU 71 20.454 4.973 -13.235 545 HD22 LEU 71 2HD2 LEU 71 19.058 4.211 -12.473 546 HD23 LEU 71 3HD2 LEU 71 19.868 3.418 -13.825 547 H LYS 72 H LYS 72 19.621 -0.890 -11.142 548 HA LYS 72 HA LYS 72 18.773 -1.940 -13.557 549 HB2 LYS 72 2HB LYS 72 19.537 -2.967 -10.962 550 HB3 LYS 72 3HB LYS 72 18.241 -3.931 -11.656 551 HG2 LYS 72 2HG LYS 72 20.845 -3.280 -13.022 552 HG3 LYS 72 3HG LYS 72 20.461 -4.802 -12.215 553 HD2 LYS 72 2HD LYS 72 18.343 -4.307 -13.991 554 HD3 LYS 72 3HD LYS 72 19.823 -3.943 -14.882 555 HE2 LYS 72 2HE LYS 72 20.457 -6.272 -13.573 556 HE3 LYS 72 3HE LYS 72 18.756 -6.505 -13.973 557 HZ1 LYS 72 1HZ LYS 72 20.624 -5.534 -16.030 558 HZ2 LYS 72 2HZ LYS 72 19.177 -6.389 -16.219 559 HZ3 LYS 72 3HZ LYS 72 20.563 -7.185 -15.665 560 H THR 73 H THR 73 16.961 -2.131 -10.487 561 HA THR 73 HA THR 73 14.593 -3.134 -11.482 562 HB THR 73 HB THR 73 14.416 -1.054 -9.349 563 HG1 THR 73 HG1 THR 73 15.528 -2.293 -7.910 564 HG21 THR 73 1HG2 THR 73 12.413 -2.157 -9.493 565 HG22 THR 73 2HG2 THR 73 13.236 -3.196 -8.329 566 HG23 THR 73 3HG2 THR 73 13.156 -3.664 -10.027 567 H TRP 74 H TRP 74 15.678 0.225 -11.346 568 HA TRP 74 HA TRP 74 13.259 1.409 -12.179 569 HB2 TRP 74 2HB TRP 74 15.062 2.701 -11.137 570 HB3 TRP 74 3HB TRP 74 16.099 2.394 -12.528 571 HD1 TRP 74 HD1 TRP 74 16.299 4.551 -13.877 572 HE1 TRP 74 HE1 TRP 74 14.691 6.405 -14.652 573 HE3 TRP 74 HE3 TRP 74 12.021 2.919 -11.602 574 HZ2 TRP 74 HZ2 TRP 74 11.970 7.087 -14.340 575 HZ3 TRP 74 HZ3 TRP 74 9.959 4.230 -11.889 576 HH2 TRP 74 HH2 TRP 74 9.936 6.271 -13.230 577 H GLY 75 H GLY 75 16.168 0.490 -14.020 578 HA2 GLY 75 2HA GLY 75 15.253 1.303 -16.542 579 HA3 GLY 75 3HA GLY 75 16.471 0.069 -16.255 580 H LEU 76 H LEU 76 14.723 -1.685 -14.762 581 HA LEU 76 HA LEU 76 13.518 -3.041 -16.990 582 HB2 LEU 76 2HB LEU 76 13.956 -3.623 -14.106 583 HB3 LEU 76 3HB LEU 76 12.719 -4.539 -14.964 584 HG LEU 76 HG LEU 76 15.653 -4.425 -15.660 585 HD11 LEU 76 1HD1 LEU 76 15.566 -5.806 -13.820 586 HD12 LEU 76 2HD1 LEU 76 15.313 -6.953 -15.135 587 HD13 LEU 76 3HD1 LEU 76 13.939 -6.378 -14.191 588 HD21 LEU 76 1HD2 LEU 76 13.282 -5.656 -17.011 589 HD22 LEU 76 2HD2 LEU 76 14.881 -6.387 -17.161 590 HD23 LEU 76 3HD2 LEU 76 14.613 -4.731 -17.710 591 H VAL 77 H VAL 77 12.254 -1.794 -13.895 592 HA VAL 77 HA VAL 77 9.572 -2.260 -14.278 593 HB VAL 77 HB VAL 77 10.912 0.064 -12.900 594 HG11 VAL 77 1HG1 VAL 77 8.909 1.056 -12.911 595 HG12 VAL 77 2HG1 VAL 77 8.093 -0.402 -13.480 596 HG13 VAL 77 3HG1 VAL 77 8.427 -0.190 -11.761 597 HG21 VAL 77 1HG2 VAL 77 9.520 -1.747 -11.184 598 HG22 VAL 77 2HG2 VAL 77 10.604 -2.660 -12.234 599 HG23 VAL 77 3HG2 VAL 77 11.240 -1.360 -11.226 600 H LEU 78 H LEU 78 11.277 0.772 -15.078 601 HA LEU 78 HA LEU 78 9.146 2.064 -16.314 602 HB2 LEU 78 2HB LEU 78 11.388 3.023 -15.656 603 HB3 LEU 78 3HB LEU 78 12.025 2.329 -17.146 604 HG LEU 78 HG LEU 78 10.404 3.731 -18.416 605 HD11 LEU 78 1HD1 LEU 78 9.990 5.576 -16.191 606 HD12 LEU 78 2HD1 LEU 78 9.144 4.040 -16.012 607 HD13 LEU 78 3HD1 LEU 78 8.872 5.034 -17.443 608 HD21 LEU 78 1HD2 LEU 78 12.370 4.806 -18.566 609 HD22 LEU 78 2HD2 LEU 78 12.683 4.693 -16.834 610 HD23 LEU 78 3HD2 LEU 78 11.621 5.956 -17.458 611 H GLY 79 H GLY 79 11.130 -0.526 -17.441 612 HA2 GLY 79 2HA GLY 79 10.832 -0.194 -20.223 613 HA3 GLY 79 3HA GLY 79 11.161 -1.714 -19.405 614 H ALA 80 H ALA 80 8.531 -0.997 -17.860 615 HA ALA 80 HA ALA 80 6.788 -2.304 -19.829 616 HB1 ALA 80 1HB ALA 80 7.053 -2.448 -16.903 617 HB2 ALA 80 2HB ALA 80 5.400 -2.470 -17.518 618 HB3 ALA 80 3HB ALA 80 6.560 -3.682 -18.063 619 H LEU 81 H LEU 81 7.091 0.518 -17.786 620 HA LEU 81 HA LEU 81 4.420 1.455 -18.185 621 HB2 LEU 81 2HB LEU 81 6.927 2.806 -17.210 622 HB3 LEU 81 3HB LEU 81 5.362 3.611 -17.296 623 HG LEU 81 HG LEU 81 4.589 1.614 -15.786 624 HD11 LEU 81 1HD1 LEU 81 6.360 0.880 -14.255 625 HD12 LEU 81 2HD1 LEU 81 7.554 1.713 -15.250 626 HD13 LEU 81 3HD1 LEU 81 6.653 0.348 -15.911 627 HD21 LEU 81 1HD2 LEU 81 6.222 3.967 -14.853 628 HD22 LEU 81 2HD2 LEU 81 5.256 2.950 -13.784 629 HD23 LEU 81 3HD2 LEU 81 4.472 3.886 -15.058 630 H LYS 82 H LYS 82 7.553 2.121 -19.676 631 HA LYS 82 HA LYS 82 6.843 4.272 -21.289 632 HB2 LYS 82 2HB LYS 82 9.065 2.544 -21.009 633 HB3 LYS 82 3HB LYS 82 8.635 2.538 -22.714 634 HG2 LYS 82 2HG LYS 82 10.080 4.298 -22.666 635 HG3 LYS 82 3HG LYS 82 8.559 5.143 -22.370 636 HD2 LYS 82 2HD LYS 82 9.014 4.984 -19.931 637 HD3 LYS 82 3HD LYS 82 10.589 4.284 -20.309 638 HE2 LYS 82 2HE LYS 82 10.648 6.729 -19.836 639 HE3 LYS 82 3HE LYS 82 11.284 6.286 -21.420 640 HZ1 LYS 82 1HZ LYS 82 9.382 8.172 -20.928 641 HZ2 LYS 82 2HZ LYS 82 8.480 6.853 -21.483 642 HZ3 LYS 82 3HZ LYS 82 9.729 7.484 -22.435 643 H ALA 83 H ALA 83 6.785 0.800 -22.081 644 HA ALA 83 HA ALA 83 5.577 1.209 -24.636 645 HB1 ALA 83 1HB ALA 83 6.662 -0.773 -24.703 646 HB2 ALA 83 2HB ALA 83 6.377 -1.112 -22.995 647 HB3 ALA 83 3HB ALA 83 5.095 -1.387 -24.175 648 H ALA 84 H ALA 84 4.388 0.993 -21.426 649 HA ALA 84 HA ALA 84 1.760 0.062 -22.044 650 HB1 ALA 84 1HB ALA 84 1.494 1.398 -19.675 651 HB2 ALA 84 2HB ALA 84 1.978 -0.290 -19.845 652 HB3 ALA 84 3HB ALA 84 3.204 0.965 -19.670 653 H ARG 85 H ARG 85 3.347 3.133 -22.130 654 HA ARG 85 HA ARG 85 0.771 4.509 -22.469 655 HB2 ARG 85 2HB ARG 85 3.483 5.398 -21.579 656 HB3 ARG 85 3HB ARG 85 2.415 6.567 -22.344 657 HG2 ARG 85 2HG ARG 85 1.227 6.811 -20.488 658 HG3 ARG 85 3HG ARG 85 1.025 5.067 -20.311 659 HD2 ARG 85 2HD ARG 85 3.272 4.940 -19.302 660 HD3 ARG 85 3HD ARG 85 3.405 6.693 -19.425 661 HE ARG 85 HE ARG 85 2.125 6.869 -17.547 662 HH11 ARG 85 1HH1 ARG 85 1.643 3.712 -18.933 663 HH12 ARG 85 2HH1 ARG 85 0.665 3.142 -17.622 664 HH21 ARG 85 1HH2 ARG 85 0.837 6.130 -15.815 665 HH22 ARG 85 2HH2 ARG 85 0.206 4.519 -15.849 666 H GLU 86 H GLU 86 2.192 2.834 -24.484 667 HA GLU 86 HA GLU 86 2.858 4.851 -26.506 668 HB2 GLU 86 2HB GLU 86 4.129 2.518 -25.865 669 HB3 GLU 86 3HB GLU 86 3.133 2.011 -27.221 670 HG2 GLU 86 2HG GLU 86 4.978 4.382 -27.305 671 HG3 GLU 86 3HG GLU 86 5.437 2.759 -27.817 672 H GLU 87 H GLU 87 0.128 4.386 -25.658 673 HA GLU 87 HA GLU 87 -1.956 4.118 -26.532 674 HB2 GLU 87 2HB GLU 87 -0.673 5.548 -28.327 675 HB3 GLU 87 3HB GLU 87 -0.818 4.089 -29.299 676 HG2 GLU 87 2HG GLU 87 -3.305 4.941 -28.010 677 HG3 GLU 87 3HG GLU 87 -2.657 6.079 -29.190 Start of MODEL 17 1 H1 SER 1 H SER 1 1.151 0.427 0.996 2 HA SER 1 HA SER 1 1.535 0.481 -1.410 3 HB2 SER 1 2HB SER 1 4.067 0.294 -1.438 4 HB3 SER 1 3HB SER 1 3.398 1.386 -0.226 5 HG SER 1 HG SER 1 4.576 -1.141 0.106 6 H GLU 2 H GLU 2 0.293 -1.978 -1.080 7 HA GLU 2 HA GLU 2 2.091 -3.906 -2.369 8 HB2 GLU 2 2HB GLU 2 0.281 -5.557 -1.868 9 HB3 GLU 2 3HB GLU 2 0.991 -4.813 -0.443 10 HG2 GLU 2 2HG GLU 2 -0.899 -3.388 -0.155 11 HG3 GLU 2 3HG GLU 2 -1.577 -3.890 -1.703 12 H ALA 3 H ALA 3 -0.724 -1.952 -2.894 13 HA ALA 3 HA ALA 3 -1.709 -3.300 -5.193 14 HB1 ALA 3 1HB ALA 3 -2.589 -0.746 -5.506 15 HB2 ALA 3 2HB ALA 3 -3.377 -1.967 -4.506 16 HB3 ALA 3 3HB ALA 3 -2.277 -0.801 -3.771 17 H VAL 4 H VAL 4 0.883 -1.092 -4.656 18 HA VAL 4 HA VAL 4 1.078 -0.293 -7.438 19 HB VAL 4 HB VAL 4 1.665 1.296 -5.636 20 HG11 VAL 4 1HG1 VAL 4 3.383 0.989 -4.141 21 HG12 VAL 4 2HG1 VAL 4 2.776 -0.661 -4.294 22 HG13 VAL 4 3HG1 VAL 4 4.222 -0.167 -5.175 23 HG21 VAL 4 1HG2 VAL 4 2.952 2.292 -7.147 24 HG22 VAL 4 2HG2 VAL 4 4.280 1.186 -6.798 25 HG23 VAL 4 3HG2 VAL 4 3.074 0.760 -8.012 26 H ILE 5 H ILE 5 2.372 -2.707 -5.334 27 HA ILE 5 HA ILE 5 4.634 -3.318 -7.030 28 HB ILE 5 HB ILE 5 3.521 -4.862 -4.684 29 HG12 ILE 5 2HG1 ILE 5 5.911 -3.012 -4.769 30 HG13 ILE 5 3HG1 ILE 5 4.321 -2.526 -4.189 31 HG21 ILE 5 1HG2 ILE 5 4.893 -6.471 -5.381 32 HG22 ILE 5 2HG2 ILE 5 5.618 -5.424 -6.599 33 HG23 ILE 5 3HG2 ILE 5 6.225 -5.401 -4.944 34 HD11 ILE 5 1HD1 ILE 5 6.319 -4.345 -2.953 35 HD12 ILE 5 2HD1 ILE 5 5.357 -3.056 -2.228 36 HD13 ILE 5 3HD1 ILE 5 4.606 -4.602 -2.621 37 H LYS 6 H LYS 6 1.378 -4.474 -6.514 38 HA LYS 6 HA LYS 6 1.634 -6.944 -7.876 39 HB2 LYS 6 2HB LYS 6 -0.676 -7.143 -7.666 40 HB3 LYS 6 3HB LYS 6 -0.250 -6.112 -6.307 41 HG2 LYS 6 2HG LYS 6 -0.794 -4.156 -7.872 42 HG3 LYS 6 3HG LYS 6 -1.588 -5.367 -8.881 43 HD2 LYS 6 2HD LYS 6 -3.149 -5.894 -7.201 44 HD3 LYS 6 3HD LYS 6 -2.202 -5.083 -5.952 45 HE2 LYS 6 2HE LYS 6 -3.595 -3.361 -6.270 46 HE3 LYS 6 3HE LYS 6 -2.664 -3.062 -7.737 47 HZ1 LYS 6 1HZ LYS 6 -4.485 -3.433 -8.911 48 HZ2 LYS 6 2HZ LYS 6 -5.369 -3.760 -7.507 49 HZ3 LYS 6 3HZ LYS 6 -4.573 -5.014 -8.316 50 H VAL 7 H VAL 7 0.956 -3.668 -8.923 51 HA VAL 7 HA VAL 7 0.164 -4.381 -11.577 52 HB VAL 7 HB VAL 7 1.165 -1.714 -10.572 53 HG11 VAL 7 1HG1 VAL 7 1.227 -1.803 -12.966 54 HG12 VAL 7 2HG1 VAL 7 -0.394 -2.498 -13.030 55 HG13 VAL 7 3HG1 VAL 7 -0.167 -0.836 -12.485 56 HG21 VAL 7 1HG2 VAL 7 -0.756 -1.452 -9.491 57 HG22 VAL 7 2HG2 VAL 7 -1.665 -1.820 -10.957 58 HG23 VAL 7 3HG2 VAL 7 -1.177 -3.122 -9.872 59 H ILE 8 H ILE 8 3.178 -3.348 -10.057 60 HA ILE 8 HA ILE 8 4.621 -3.245 -12.542 61 HB ILE 8 HB ILE 8 5.643 -3.230 -9.700 62 HG12 ILE 8 2HG1 ILE 8 5.390 -0.910 -11.615 63 HG13 ILE 8 3HG1 ILE 8 4.140 -1.322 -10.446 64 HG21 ILE 8 1HG2 ILE 8 7.036 -2.693 -12.316 65 HG22 ILE 8 2HG2 ILE 8 7.704 -2.279 -10.738 66 HG23 ILE 8 3HG2 ILE 8 7.396 -3.966 -11.150 67 HD11 ILE 8 1HD1 ILE 8 5.694 -0.952 -8.625 68 HD12 ILE 8 2HD1 ILE 8 6.983 -0.599 -9.778 69 HD13 ILE 8 3HD1 ILE 8 5.589 0.475 -9.656 70 H SER 9 H SER 9 3.895 -5.645 -10.165 71 HA SER 9 HA SER 9 6.010 -7.430 -11.058 72 HB2 SER 9 2HB SER 9 5.294 -7.252 -8.639 73 HB3 SER 9 3HB SER 9 3.785 -8.038 -9.103 74 HG SER 9 HG SER 9 5.814 -9.303 -8.346 75 H SER 10 H SER 10 2.865 -6.651 -11.958 76 HA SER 10 HA SER 10 2.416 -9.294 -13.169 77 HB2 SER 10 2HB SER 10 0.592 -8.494 -11.728 78 HB3 SER 10 3HB SER 10 0.456 -7.032 -12.705 79 HG SER 10 HG SER 10 -0.640 -9.443 -13.123 80 H ALA 11 H ALA 11 2.639 -5.853 -13.847 81 HA ALA 11 HA ALA 11 1.995 -6.077 -16.622 82 HB1 ALA 11 1HB ALA 11 2.734 -3.760 -16.778 83 HB2 ALA 11 2HB ALA 11 1.671 -3.991 -15.389 84 HB3 ALA 11 3HB ALA 11 3.414 -3.857 -15.154 85 H CYS 12 H CYS 12 5.019 -5.821 -14.786 86 HA CYS 12 HA CYS 12 6.796 -5.650 -16.921 87 HB2 CYS 12 2HB CYS 12 7.007 -6.642 -14.108 88 HB3 CYS 12 3HB CYS 12 8.346 -6.933 -15.212 89 HG CYS 12 HG CYS 12 7.238 -4.001 -13.927 90 H LYS 13 H LYS 13 5.174 -8.426 -15.528 91 HA LYS 13 HA LYS 13 6.719 -10.424 -16.812 92 HB2 LYS 13 2HB LYS 13 3.834 -10.652 -15.950 93 HB3 LYS 13 3HB LYS 13 4.993 -11.959 -16.150 94 HG2 LYS 13 2HG LYS 13 5.278 -9.762 -14.114 95 HG3 LYS 13 3HG LYS 13 4.531 -11.328 -13.786 96 HD2 LYS 13 2HD LYS 13 7.130 -11.578 -15.068 97 HD3 LYS 13 3HD LYS 13 7.213 -10.709 -13.534 98 HE2 LYS 13 2HE LYS 13 6.508 -12.520 -12.315 99 HE3 LYS 13 3HE LYS 13 5.618 -13.219 -13.666 100 HZ1 LYS 13 1HZ LYS 13 7.787 -13.744 -14.696 101 HZ2 LYS 13 2HZ LYS 13 7.534 -14.552 -13.233 102 HZ3 LYS 13 3HZ LYS 13 8.562 -13.210 -13.290 103 H THR 14 H THR 14 4.486 -8.199 -18.011 104 HA THR 14 HA THR 14 3.949 -9.864 -20.381 105 HB THR 14 HB THR 14 2.430 -7.492 -19.287 106 HG1 THR 14 HG1 THR 14 1.214 -9.008 -18.467 107 HG21 THR 14 1HG2 THR 14 2.041 -9.003 -21.873 108 HG22 THR 14 2HG2 THR 14 2.458 -7.299 -21.694 109 HG23 THR 14 3HG2 THR 14 0.872 -7.878 -21.184 110 H TYR 15 H TYR 15 5.372 -6.921 -19.225 111 HA TYR 15 HA TYR 15 5.835 -5.972 -21.958 112 HB2 TYR 15 2HB TYR 15 6.230 -4.651 -19.270 113 HB3 TYR 15 3HB TYR 15 6.719 -3.919 -20.795 114 HD1 TYR 15 HD1 TYR 15 4.821 -3.741 -22.606 115 HD2 TYR 15 HD2 TYR 15 4.122 -4.189 -18.433 116 HE1 TYR 15 HE1 TYR 15 2.560 -2.815 -22.891 117 HE2 TYR 15 HE2 TYR 15 1.859 -3.265 -18.707 118 HH TYR 15 HH TYR 15 0.166 -3.071 -20.592 119 H CYS 16 H CYS 16 7.750 -6.208 -18.954 120 HA CYS 16 HA CYS 16 10.247 -6.104 -20.248 121 HB2 CYS 16 2HB CYS 16 9.429 -7.124 -17.526 122 HB3 CYS 16 3HB CYS 16 11.106 -7.056 -18.056 123 HG CYS 16 HG CYS 16 10.961 -4.225 -18.498 124 H GLY 17 H GLY 17 8.056 -8.727 -19.585 125 HA2 GLY 17 2HA GLY 17 8.061 -10.797 -20.685 126 HA3 GLY 17 3HA GLY 17 9.712 -10.492 -21.205 127 H LYS 18 H LYS 18 11.034 -11.977 -20.420 128 HA LYS 18 HA LYS 18 10.454 -13.205 -17.831 129 HB2 LYS 18 2HB LYS 18 12.170 -14.856 -18.472 130 HB3 LYS 18 3HB LYS 18 10.894 -14.728 -19.675 131 HG2 LYS 18 2HG LYS 18 12.388 -14.304 -21.247 132 HG3 LYS 18 3HG LYS 18 12.962 -12.895 -20.353 133 HD2 LYS 18 2HD LYS 18 14.702 -14.037 -19.402 134 HD3 LYS 18 3HD LYS 18 13.855 -15.585 -19.451 135 HE2 LYS 18 2HE LYS 18 14.157 -15.619 -21.908 136 HE3 LYS 18 3HE LYS 18 15.094 -14.131 -21.786 137 HZ1 LYS 18 1HZ LYS 18 16.178 -15.937 -19.973 138 HZ2 LYS 18 2HZ LYS 18 16.875 -15.365 -21.404 139 HZ3 LYS 18 3HZ LYS 18 15.957 -16.785 -21.420 140 H THR 19 H THR 19 11.565 -10.459 -18.180 141 HA THR 19 HA THR 19 13.932 -10.827 -16.474 142 HB THR 19 HB THR 19 14.735 -10.220 -18.708 143 HG1 THR 19 HG1 THR 19 16.162 -9.171 -17.561 144 HG21 THR 19 1HG2 THR 19 12.465 -8.518 -18.701 145 HG22 THR 19 2HG2 THR 19 13.619 -8.796 -20.006 146 HG23 THR 19 3HG2 THR 19 13.897 -7.499 -18.844 147 H SER 20 H SER 20 11.364 -10.398 -15.517 148 HA SER 20 HA SER 20 10.975 -7.586 -15.009 149 HB2 SER 20 2HB SER 20 9.165 -8.498 -13.432 150 HB3 SER 20 3HB SER 20 8.967 -8.827 -15.153 151 HG SER 20 HG SER 20 9.587 -10.908 -14.835 152 HA PRO 21 HA PRO 21 13.264 -7.153 -11.291 153 HB2 PRO 21 2HB PRO 21 11.687 -5.460 -9.871 154 HB3 PRO 21 3HB PRO 21 12.619 -4.948 -11.283 155 HG2 PRO 21 2HG PRO 21 9.719 -5.661 -11.085 156 HG3 PRO 21 3HG PRO 21 10.484 -4.320 -11.957 157 HD2 PRO 21 2HD PRO 21 9.678 -6.590 -13.193 158 HD3 PRO 21 3HD PRO 21 11.086 -5.655 -13.737 159 H SER 22 H SER 22 13.515 -8.632 -9.750 160 HA SER 22 HA SER 22 11.613 -10.408 -8.838 161 HB2 SER 22 2HB SER 22 13.839 -11.000 -8.396 162 HB3 SER 22 3HB SER 22 14.204 -9.442 -7.655 163 HG SER 22 HG SER 22 13.965 -11.111 -6.101 164 H LYS 23 H LYS 23 10.447 -10.605 -6.880 165 HA LYS 23 HA LYS 23 8.948 -8.419 -6.113 166 HB2 LYS 23 2HB LYS 23 8.402 -10.824 -5.675 167 HB3 LYS 23 3HB LYS 23 9.572 -10.802 -4.362 168 HG2 LYS 23 2HG LYS 23 8.108 -9.893 -2.967 169 HG3 LYS 23 3HG LYS 23 7.693 -8.624 -4.122 170 HD2 LYS 23 2HD LYS 23 5.698 -9.838 -3.692 171 HD3 LYS 23 3HD LYS 23 6.250 -10.324 -5.297 172 HE2 LYS 23 2HE LYS 23 6.898 -12.420 -4.583 173 HE3 LYS 23 3HE LYS 23 7.097 -11.903 -2.909 174 HZ1 LYS 23 1HZ LYS 23 4.574 -12.461 -4.354 175 HZ2 LYS 23 2HZ LYS 23 4.607 -11.619 -2.888 176 HZ3 LYS 23 3HZ LYS 23 5.167 -13.214 -2.960 177 H LYS 24 H LYS 24 11.986 -9.590 -4.799 178 HA LYS 24 HA LYS 24 11.976 -7.821 -2.543 179 HB2 LYS 24 2HB LYS 24 13.221 -9.852 -2.341 180 HB3 LYS 24 3HB LYS 24 14.123 -9.519 -3.814 181 HG2 LYS 24 2HG LYS 24 15.482 -9.148 -1.829 182 HG3 LYS 24 3HG LYS 24 15.238 -7.649 -2.729 183 HD2 LYS 24 2HD LYS 24 13.753 -6.798 -1.144 184 HD3 LYS 24 3HD LYS 24 13.434 -8.391 -0.451 185 HE2 LYS 24 2HE LYS 24 16.066 -8.226 0.017 186 HE3 LYS 24 3HE LYS 24 15.666 -6.510 0.038 187 HZ1 LYS 24 1HZ LYS 24 13.774 -8.004 1.532 188 HZ2 LYS 24 2HZ LYS 24 14.761 -6.726 2.035 189 HZ3 LYS 24 3HZ LYS 24 15.339 -8.315 2.093 190 H GLU 25 H GLU 25 13.150 -7.700 -5.830 191 HA GLU 25 HA GLU 25 14.842 -5.429 -5.468 192 HB2 GLU 25 2HB GLU 25 13.854 -7.034 -7.751 193 HB3 GLU 25 3HB GLU 25 14.302 -5.373 -8.112 194 HG2 GLU 25 2HG GLU 25 16.305 -6.633 -6.477 195 HG3 GLU 25 3HG GLU 25 15.987 -7.582 -7.927 196 H ILE 26 H ILE 26 11.583 -5.868 -6.823 197 HA ILE 26 HA ILE 26 11.030 -3.264 -7.549 198 HB ILE 26 HB ILE 26 9.097 -5.244 -6.337 199 HG12 ILE 26 2HG1 ILE 26 9.673 -4.681 -9.251 200 HG13 ILE 26 3HG1 ILE 26 10.380 -6.023 -8.356 201 HG21 ILE 26 1HG2 ILE 26 7.370 -3.974 -7.517 202 HG22 ILE 26 2HG2 ILE 26 8.210 -2.977 -6.331 203 HG23 ILE 26 3HG2 ILE 26 8.587 -2.812 -8.045 204 HD11 ILE 26 1HD1 ILE 26 7.428 -5.598 -8.746 205 HD12 ILE 26 2HD1 ILE 26 8.435 -6.664 -9.727 206 HD13 ILE 26 3HD1 ILE 26 8.214 -6.995 -8.009 207 H GLY 27 H GLY 27 10.344 -4.798 -4.400 208 HA2 GLY 27 2HA GLY 27 9.473 -2.345 -3.208 209 HA3 GLY 27 3HA GLY 27 9.789 -3.856 -2.369 210 H ALA 28 H ALA 28 12.514 -3.414 -4.032 211 HA ALA 28 HA ALA 28 13.858 -2.210 -1.738 212 HB1 ALA 28 1HB ALA 28 15.897 -2.916 -3.305 213 HB2 ALA 28 2HB ALA 28 15.079 -4.056 -2.235 214 HB3 ALA 28 3HB ALA 28 14.667 -4.004 -3.949 215 H MET 29 H MET 29 12.601 -1.202 -4.648 216 HA MET 29 HA MET 29 14.578 0.961 -4.920 217 HB2 MET 29 2HB MET 29 14.288 -0.399 -6.939 218 HB3 MET 29 3HB MET 29 12.563 -0.060 -6.930 219 HG2 MET 29 2HG MET 29 14.400 2.259 -6.960 220 HG3 MET 29 3HG MET 29 14.287 1.290 -8.427 221 HE1 MET 29 1HE MET 29 11.441 1.441 -9.971 222 HE2 MET 29 2HE MET 29 11.941 0.220 -8.800 223 HE3 MET 29 3HE MET 29 10.404 1.061 -8.596 224 H LEU 30 H LEU 30 11.107 0.261 -4.835 225 HA LEU 30 HA LEU 30 10.147 2.868 -5.063 226 HB2 LEU 30 2HB LEU 30 9.112 0.332 -3.918 227 HB3 LEU 30 3HB LEU 30 8.270 1.823 -3.501 228 HG LEU 30 HG LEU 30 7.174 0.736 -5.361 229 HD11 LEU 30 1HD1 LEU 30 6.783 2.644 -6.491 230 HD12 LEU 30 2HD1 LEU 30 8.493 2.941 -6.802 231 HD13 LEU 30 3HD1 LEU 30 7.798 3.350 -5.233 232 HD21 LEU 30 1HD2 LEU 30 9.896 0.851 -6.640 233 HD22 LEU 30 2HD2 LEU 30 8.410 0.591 -7.554 234 HD23 LEU 30 3HD2 LEU 30 8.901 -0.571 -6.321 235 H SER 31 H SER 31 11.615 1.224 -2.382 236 HA SER 31 HA SER 31 10.783 3.240 -0.464 237 HB2 SER 31 2HB SER 31 10.876 0.995 0.380 238 HB3 SER 31 3HB SER 31 12.520 0.777 -0.220 239 HG SER 31 HG SER 31 11.673 2.522 1.852 240 H LEU 32 H LEU 32 13.002 3.184 -2.840 241 HA LEU 32 HA LEU 32 15.029 4.663 -1.306 242 HB2 LEU 32 2HB LEU 32 15.707 2.652 -2.664 243 HB3 LEU 32 3HB LEU 32 15.289 3.580 -4.103 244 HG LEU 32 HG LEU 32 17.308 4.610 -2.139 245 HD11 LEU 32 1HD1 LEU 32 18.231 3.133 -4.535 246 HD12 LEU 32 2HD1 LEU 32 17.699 2.184 -3.148 247 HD13 LEU 32 3HD1 LEU 32 19.007 3.353 -2.966 248 HD21 LEU 32 1HD2 LEU 32 17.064 6.313 -3.582 249 HD22 LEU 32 2HD2 LEU 32 16.328 5.295 -4.821 250 HD23 LEU 32 3HD2 LEU 32 18.083 5.333 -4.636 251 H LEU 33 H LEU 33 12.750 4.870 -3.934 252 HA LEU 33 HA LEU 33 13.684 7.280 -5.081 253 HB2 LEU 33 2HB LEU 33 11.029 5.882 -5.093 254 HB3 LEU 33 3HB LEU 33 11.265 7.429 -5.904 255 HG LEU 33 HG LEU 33 11.582 4.951 -7.039 256 HD11 LEU 33 1HD1 LEU 33 11.237 6.665 -8.506 257 HD12 LEU 33 2HD1 LEU 33 12.963 6.400 -8.752 258 HD13 LEU 33 3HD1 LEU 33 12.412 7.723 -7.724 259 HD21 LEU 33 1HD2 LEU 33 13.637 4.562 -5.773 260 HD22 LEU 33 2HD2 LEU 33 14.322 6.053 -6.419 261 HD23 LEU 33 3HD2 LEU 33 13.964 4.705 -7.500 262 H GLN 34 H GLN 34 11.258 6.593 -2.592 263 HA GLN 34 HA GLN 34 10.304 9.190 -2.229 264 HB2 GLN 34 2HB GLN 34 10.246 6.671 -0.739 265 HB3 GLN 34 3HB GLN 34 10.188 8.093 0.294 266 HG2 GLN 34 2HG GLN 34 8.339 8.872 -1.373 267 HG3 GLN 34 3HG GLN 34 8.234 7.152 -1.746 268 HE21 GLN 34 1HE2 GLN 34 6.451 6.457 -0.791 269 HE22 GLN 34 2HE2 GLN 34 6.031 6.706 0.866 270 H LYS 35 H LYS 35 12.852 7.486 -0.409 271 HA LYS 35 HA LYS 35 13.589 9.645 1.216 272 HB2 LYS 35 2HB LYS 35 15.600 8.403 1.702 273 HB3 LYS 35 3HB LYS 35 14.249 7.281 1.602 274 HG2 LYS 35 2HG LYS 35 14.944 6.486 -0.513 275 HG3 LYS 35 3HG LYS 35 16.110 7.797 -0.700 276 HD2 LYS 35 2HD LYS 35 17.438 5.987 -0.090 277 HD3 LYS 35 3HD LYS 35 17.192 6.838 1.438 278 HE2 LYS 35 2HE LYS 35 16.455 4.916 2.283 279 HE3 LYS 35 3HE LYS 35 15.040 5.083 1.245 280 HZ1 LYS 35 1HZ LYS 35 15.697 3.357 0.048 281 HZ2 LYS 35 2HZ LYS 35 16.943 3.088 1.159 282 HZ3 LYS 35 3HZ LYS 35 17.226 4.031 -0.217 283 H GLU 36 H GLU 36 14.380 8.870 -2.079 284 HA GLU 36 HA GLU 36 16.593 10.712 -2.233 285 HB2 GLU 36 2HB GLU 36 15.340 8.726 -3.972 286 HB3 GLU 36 3HB GLU 36 15.822 10.181 -4.833 287 HG2 GLU 36 2HG GLU 36 17.770 8.923 -2.975 288 HG3 GLU 36 3HG GLU 36 17.463 8.154 -4.531 289 H GLY 37 H GLY 37 13.397 11.210 -1.912 290 HA2 GLY 37 2HA GLY 37 12.056 13.046 -2.238 291 HA3 GLY 37 3HA GLY 37 13.510 13.924 -2.687 292 H LEU 38 H LEU 38 12.599 11.055 -4.418 293 HA LEU 38 HA LEU 38 12.249 12.646 -6.828 294 HB2 LEU 38 2HB LEU 38 12.523 9.695 -6.323 295 HB3 LEU 38 3HB LEU 38 12.147 10.357 -7.913 296 HG LEU 38 HG LEU 38 14.668 10.830 -6.322 297 HD11 LEU 38 1HD1 LEU 38 15.204 8.853 -7.223 298 HD12 LEU 38 2HD1 LEU 38 15.375 9.760 -8.725 299 HD13 LEU 38 3HD1 LEU 38 13.872 8.905 -8.378 300 HD21 LEU 38 1HD2 LEU 38 15.186 11.742 -8.811 301 HD22 LEU 38 2HD2 LEU 38 14.679 12.767 -7.468 302 HD23 LEU 38 3HD2 LEU 38 13.491 12.202 -8.644 303 H LEU 39 H LEU 39 10.342 11.061 -4.485 304 HA LEU 39 HA LEU 39 7.917 11.894 -5.734 305 HB2 LEU 39 2HB LEU 39 6.979 9.496 -5.704 306 HB3 LEU 39 3HB LEU 39 7.961 10.013 -7.074 307 HG LEU 39 HG LEU 39 9.914 8.878 -5.872 308 HD11 LEU 39 1HD1 LEU 39 9.087 6.942 -4.441 309 HD12 LEU 39 2HD1 LEU 39 7.585 7.851 -4.281 310 HD13 LEU 39 3HD1 LEU 39 9.099 8.542 -3.699 311 HD21 LEU 39 1HD2 LEU 39 8.140 8.013 -7.757 312 HD22 LEU 39 2HD2 LEU 39 8.055 6.725 -6.556 313 HD23 LEU 39 3HD2 LEU 39 9.606 7.160 -7.275 314 H MET 40 H MET 40 6.018 11.422 -4.400 315 HA MET 40 HA MET 40 6.753 11.373 -1.580 316 HB2 MET 40 2HB MET 40 4.392 12.311 -3.140 317 HB3 MET 40 3HB MET 40 4.145 11.856 -1.460 318 HG2 MET 40 2HG MET 40 4.601 14.045 -1.154 319 HG3 MET 40 3HG MET 40 6.251 13.429 -1.122 320 HE1 MET 40 1HE MET 40 7.925 14.690 -2.059 321 HE2 MET 40 2HE MET 40 7.788 15.925 -3.310 322 HE3 MET 40 3HE MET 40 7.000 16.159 -1.749 323 H SER 41 H SER 41 5.148 9.431 -3.964 324 HA SER 41 HA SER 41 4.841 7.301 -1.989 325 HB2 SER 41 2HB SER 41 2.634 8.713 -3.308 326 HB3 SER 41 3HB SER 41 2.563 6.961 -3.499 327 HG SER 41 HG SER 41 1.702 8.213 -1.468 328 HA PRO 42 HA PRO 42 6.272 4.642 -5.169 329 HB2 PRO 42 2HB PRO 42 4.839 2.377 -4.737 330 HB3 PRO 42 3HB PRO 42 6.134 2.914 -3.661 331 HG2 PRO 42 2HG PRO 42 3.172 3.234 -3.367 332 HG3 PRO 42 3HG PRO 42 4.375 2.783 -2.145 333 HD2 PRO 42 2HD PRO 42 3.372 5.291 -2.347 334 HD3 PRO 42 3HD PRO 42 5.031 4.967 -1.804 335 H SER 43 H SER 43 2.921 5.447 -5.028 336 HA SER 43 HA SER 43 2.166 4.119 -7.459 337 HB2 SER 43 2HB SER 43 0.204 5.943 -7.116 338 HB3 SER 43 3HB SER 43 0.259 4.412 -6.244 339 HG SER 43 HG SER 43 -0.040 6.361 -4.936 340 H ASP 44 H ASP 44 3.990 6.826 -6.809 341 HA ASP 44 HA ASP 44 3.114 8.558 -8.897 342 HB2 ASP 44 2HB ASP 44 4.747 8.872 -6.748 343 HB3 ASP 44 3HB ASP 44 5.935 8.740 -8.043 344 H LEU 45 H LEU 45 4.703 5.620 -8.950 345 HA LEU 45 HA LEU 45 6.601 5.974 -10.994 346 HB2 LEU 45 2HB LEU 45 5.341 3.765 -9.600 347 HB3 LEU 45 3HB LEU 45 5.627 3.395 -11.300 348 HG LEU 45 HG LEU 45 8.024 3.998 -10.955 349 HD11 LEU 45 1HD1 LEU 45 7.994 5.416 -9.081 350 HD12 LEU 45 2HD1 LEU 45 8.766 3.930 -8.528 351 HD13 LEU 45 3HD1 LEU 45 7.083 4.256 -8.113 352 HD21 LEU 45 1HD2 LEU 45 6.949 1.655 -10.743 353 HD22 LEU 45 2HD2 LEU 45 7.261 1.847 -9.018 354 HD23 LEU 45 3HD2 LEU 45 8.599 1.894 -10.167 355 H TYR 46 H TYR 46 3.207 6.043 -11.074 356 HA TYR 46 HA TYR 46 3.051 5.324 -13.898 357 HB2 TYR 46 2HB TYR 46 0.800 6.224 -12.096 358 HB3 TYR 46 3HB TYR 46 0.669 5.383 -13.636 359 HD1 TYR 46 HD1 TYR 46 2.662 3.237 -13.312 360 HD2 TYR 46 HD2 TYR 46 -0.177 4.785 -10.546 361 HE1 TYR 46 HE1 TYR 46 2.642 1.078 -12.134 362 HE2 TYR 46 HE2 TYR 46 -0.204 2.630 -9.360 363 HH TYR 46 HH TYR 46 0.445 0.484 -9.426 364 H SER 47 H SER 47 4.512 7.694 -13.119 365 HA SER 47 HA SER 47 2.842 9.750 -14.412 366 HB2 SER 47 2HB SER 47 3.377 10.224 -12.010 367 HB3 SER 47 3HB SER 47 5.086 10.251 -12.444 368 HG SER 47 HG SER 47 4.808 12.223 -13.079 369 HA PRO 48 HA PRO 48 6.311 8.939 -17.295 370 HB2 PRO 48 2HB PRO 48 4.861 9.500 -19.520 371 HB3 PRO 48 3HB PRO 48 4.846 7.915 -18.739 372 HG2 PRO 48 2HG PRO 48 2.867 10.151 -18.524 373 HG3 PRO 48 3HG PRO 48 2.574 8.411 -18.693 374 HD2 PRO 48 2HD PRO 48 2.404 9.692 -16.314 375 HD3 PRO 48 3HD PRO 48 2.937 8.004 -16.454 376 H GLY 49 H GLY 49 7.226 10.904 -16.305 377 HA2 GLY 49 2HA GLY 49 7.612 12.952 -18.185 378 HA3 GLY 49 3HA GLY 49 6.432 13.507 -17.007 379 H SER 50 H SER 50 7.652 11.978 -14.822 380 HA SER 50 HA SER 50 9.842 13.841 -14.265 381 HB2 SER 50 2HB SER 50 7.907 12.313 -12.587 382 HB3 SER 50 3HB SER 50 9.484 12.685 -11.892 383 HG SER 50 HG SER 50 7.746 14.288 -11.586 384 H TRP 51 H TRP 51 9.602 10.922 -15.602 385 HA TRP 51 HA TRP 51 11.482 9.384 -14.110 386 HB2 TRP 51 2HB TRP 51 10.628 9.098 -16.999 387 HB3 TRP 51 3HB TRP 51 11.488 7.886 -16.053 388 HD1 TRP 51 HD1 TRP 51 9.527 8.504 -13.409 389 HE1 TRP 51 HE1 TRP 51 7.214 7.375 -13.420 390 HE3 TRP 51 HE3 TRP 51 9.133 7.511 -18.408 391 HZ2 TRP 51 HZ2 TRP 51 5.455 6.217 -15.300 392 HZ3 TRP 51 HZ3 TRP 51 7.103 6.390 -19.232 393 HH2 TRP 51 HH2 TRP 51 5.304 5.756 -17.708 394 H ASP 52 H ASP 52 11.757 11.936 -16.376 395 HA ASP 52 HA ASP 52 14.242 11.364 -17.544 396 HB2 ASP 52 2HB ASP 52 12.514 13.723 -17.240 397 HB3 ASP 52 3HB ASP 52 14.228 14.099 -17.390 398 HA PRO 53 HA PRO 53 16.287 13.959 -14.028 399 HB2 PRO 53 2HB PRO 53 14.725 14.683 -11.929 400 HB3 PRO 53 3HB PRO 53 14.906 15.677 -13.379 401 HG2 PRO 53 2HG PRO 53 12.699 13.797 -12.636 402 HG3 PRO 53 3HG PRO 53 12.596 15.415 -13.354 403 HD2 PRO 53 2HD PRO 53 12.347 13.153 -14.820 404 HD3 PRO 53 3HD PRO 53 13.060 14.641 -15.475 405 H ILE 54 H ILE 54 13.855 11.573 -13.281 406 HA ILE 54 HA ILE 54 15.099 10.687 -10.843 407 HB ILE 54 HB ILE 54 12.905 9.507 -12.540 408 HG12 ILE 54 2HG1 ILE 54 12.831 10.677 -9.753 409 HG13 ILE 54 3HG1 ILE 54 12.445 11.585 -11.210 410 HG21 ILE 54 1HG2 ILE 54 14.492 8.294 -10.409 411 HG22 ILE 54 2HG2 ILE 54 12.753 8.227 -10.128 412 HG23 ILE 54 3HG2 ILE 54 13.434 7.544 -11.605 413 HD11 ILE 54 1HD1 ILE 54 10.371 10.828 -11.182 414 HD12 ILE 54 2HD1 ILE 54 10.932 9.156 -11.147 415 HD13 ILE 54 3HD1 ILE 54 10.721 10.048 -9.640 416 H THR 55 H THR 55 14.980 9.585 -14.200 417 HA THR 55 HA THR 55 16.411 7.176 -13.797 418 HB THR 55 HB THR 55 16.084 8.848 -16.296 419 HG1 THR 55 HG1 THR 55 14.141 8.014 -16.096 420 HG21 THR 55 1HG2 THR 55 17.274 6.117 -15.865 421 HG22 THR 55 2HG2 THR 55 17.984 7.503 -16.693 422 HG23 THR 55 3HG2 THR 55 16.636 6.632 -17.425 423 H ALA 56 H ALA 56 17.430 10.413 -14.846 424 HA ALA 56 HA ALA 56 20.160 9.754 -15.202 425 HB1 ALA 56 1HB ALA 56 19.665 11.692 -16.295 426 HB2 ALA 56 2HB ALA 56 18.591 12.269 -15.020 427 HB3 ALA 56 3HB ALA 56 20.339 12.364 -14.811 428 H ALA 57 H ALA 57 18.256 10.425 -12.412 429 HA ALA 57 HA ALA 57 20.424 11.230 -10.714 430 HB1 ALA 57 1HB ALA 57 18.389 10.334 -9.062 431 HB2 ALA 57 2HB ALA 57 18.653 11.992 -9.602 432 HB3 ALA 57 3HB ALA 57 17.551 10.940 -10.491 433 H LEU 58 H LEU 58 18.486 8.257 -11.028 434 HA LEU 58 HA LEU 58 19.986 6.788 -9.123 435 HB2 LEU 58 2HB LEU 58 18.211 5.852 -11.372 436 HB3 LEU 58 3HB LEU 58 18.854 4.814 -10.101 437 HG LEU 58 HG LEU 58 17.165 7.184 -9.400 438 HD11 LEU 58 1HD1 LEU 58 16.174 4.481 -10.290 439 HD12 LEU 58 2HD1 LEU 58 15.847 6.038 -11.051 440 HD13 LEU 58 3HD1 LEU 58 15.196 5.685 -9.451 441 HD21 LEU 58 1HD2 LEU 58 17.628 4.491 -8.122 442 HD22 LEU 58 2HD2 LEU 58 16.601 5.773 -7.479 443 HD23 LEU 58 3HD2 LEU 58 18.342 6.022 -7.614 444 H SER 59 H SER 59 20.392 7.440 -12.507 445 HA SER 59 HA SER 59 22.254 5.305 -12.984 446 HB2 SER 59 2HB SER 59 21.019 6.065 -14.878 447 HB3 SER 59 3HB SER 59 21.462 7.745 -14.579 448 HG SER 59 HG SER 59 22.974 5.668 -15.687 449 H GLN 60 H GLN 60 22.424 8.622 -11.942 450 HA GLN 60 HA GLN 60 25.253 8.884 -12.388 451 HB2 GLN 60 2HB GLN 60 23.975 10.892 -12.484 452 HB3 GLN 60 3HB GLN 60 23.230 10.572 -10.924 453 HG2 GLN 60 2HG GLN 60 24.876 11.574 -9.829 454 HG3 GLN 60 3HG GLN 60 26.110 10.687 -10.723 455 HE21 GLN 60 1HE2 GLN 60 27.295 11.753 -12.161 456 HE22 GLN 60 2HE2 GLN 60 26.990 13.360 -12.718 457 H ARG 61 H ARG 61 23.147 8.227 -9.630 458 HA ARG 61 HA ARG 61 25.048 8.351 -7.594 459 HB2 ARG 61 2HB ARG 61 22.485 8.062 -7.453 460 HB3 ARG 61 3HB ARG 61 22.812 6.341 -7.599 461 HG2 ARG 61 2HG ARG 61 24.451 6.772 -5.617 462 HG3 ARG 61 3HG ARG 61 23.457 8.210 -5.371 463 HD2 ARG 61 2HD ARG 61 21.477 6.866 -5.141 464 HD3 ARG 61 3HD ARG 61 22.368 5.407 -5.573 465 HE ARG 61 HE ARG 61 23.669 6.362 -3.377 466 HH11 ARG 61 1HH1 ARG 61 20.371 5.507 -4.094 467 HH12 ARG 61 2HH1 ARG 61 20.005 5.028 -2.469 468 HH21 ARG 61 1HH2 ARG 61 23.199 5.735 -1.235 469 HH22 ARG 61 2HH2 ARG 61 21.614 5.160 -0.844 470 H ALA 62 H ALA 62 24.179 5.700 -9.759 471 HA ALA 62 HA ALA 62 25.796 3.738 -8.495 472 HB1 ALA 62 1HB ALA 62 24.000 3.007 -9.879 473 HB2 ALA 62 2HB ALA 62 24.631 3.894 -11.267 474 HB3 ALA 62 3HB ALA 62 25.502 2.492 -10.647 475 H MET 63 H MET 63 26.585 6.443 -10.333 476 HA MET 63 HA MET 63 29.116 5.275 -11.253 477 HB2 MET 63 2HB MET 63 27.632 7.780 -12.029 478 HB3 MET 63 3HB MET 63 29.300 7.493 -12.506 479 HG2 MET 63 2HG MET 63 28.343 5.237 -13.408 480 HG3 MET 63 3HG MET 63 26.813 6.110 -13.379 481 HE1 MET 63 1HE MET 63 26.389 8.281 -14.421 482 HE2 MET 63 2HE MET 63 27.867 9.241 -14.355 483 HE3 MET 63 3HE MET 63 27.131 8.860 -15.913 484 H ILE 64 H ILE 64 27.742 7.668 -9.120 485 HA ILE 64 HA ILE 64 30.329 8.809 -8.466 486 HB ILE 64 HB ILE 64 27.612 9.339 -7.257 487 HG12 ILE 64 2HG1 ILE 64 29.224 10.915 -9.277 488 HG13 ILE 64 3HG1 ILE 64 27.766 9.991 -9.623 489 HG21 ILE 64 1HG2 ILE 64 28.651 10.494 -5.675 490 HG22 ILE 64 2HG2 ILE 64 30.210 10.014 -6.343 491 HG23 ILE 64 3HG2 ILE 64 29.428 11.491 -6.905 492 HD11 ILE 64 1HD1 ILE 64 26.522 11.479 -8.087 493 HD12 ILE 64 2HD1 ILE 64 27.985 12.447 -7.904 494 HD13 ILE 64 3HD1 ILE 64 27.210 12.311 -9.482 495 H LEU 65 H LEU 65 27.810 6.903 -6.839 496 HA LEU 65 HA LEU 65 29.569 6.467 -4.556 497 HB2 LEU 65 2HB LEU 65 26.699 6.261 -5.092 498 HB3 LEU 65 3HB LEU 65 27.338 4.952 -4.100 499 HG LEU 65 HG LEU 65 26.442 6.709 -2.699 500 HD11 LEU 65 1HD1 LEU 65 28.525 5.443 -2.054 501 HD12 LEU 65 2HD1 LEU 65 28.274 6.983 -1.233 502 HD13 LEU 65 3HD1 LEU 65 29.441 6.867 -2.550 503 HD21 LEU 65 1HD2 LEU 65 26.639 8.869 -3.173 504 HD22 LEU 65 2HD2 LEU 65 27.489 8.419 -4.651 505 HD23 LEU 65 3HD2 LEU 65 28.400 8.759 -3.178 506 H GLY 66 H GLY 66 28.299 4.785 -7.338 507 HA2 GLY 66 2HA GLY 66 29.167 2.866 -8.328 508 HA3 GLY 66 3HA GLY 66 30.210 2.650 -6.930 509 H LYS 67 H LYS 67 26.717 3.046 -6.811 510 HA LYS 67 HA LYS 67 26.494 0.545 -5.363 511 HB2 LYS 67 2HB LYS 67 24.195 2.328 -6.123 512 HB3 LYS 67 3HB LYS 67 24.332 1.243 -4.746 513 HG2 LYS 67 2HG LYS 67 25.808 3.837 -5.141 514 HG3 LYS 67 3HG LYS 67 24.489 3.529 -4.009 515 HD2 LYS 67 2HD LYS 67 26.301 1.560 -3.383 516 HD3 LYS 67 3HD LYS 67 27.339 2.931 -3.781 517 HE2 LYS 67 2HE LYS 67 26.946 3.748 -1.753 518 HE3 LYS 67 3HE LYS 67 25.258 3.968 -2.213 519 HZ1 LYS 67 1HZ LYS 67 24.686 1.889 -1.310 520 HZ2 LYS 67 2HZ LYS 67 25.677 2.620 -0.151 521 HZ3 LYS 67 3HZ LYS 67 26.300 1.406 -1.151 522 H SER 68 H SER 68 24.934 1.983 -8.230 523 HA SER 68 HA SER 68 23.786 1.020 -9.959 524 HB2 SER 68 2HB SER 68 25.059 -0.986 -10.954 525 HB3 SER 68 3HB SER 68 25.919 0.549 -10.845 526 HG SER 68 HG SER 68 27.348 -0.610 -9.823 527 H GLY 69 H GLY 69 22.830 0.264 -7.370 528 HA2 GLY 69 2HA GLY 69 22.120 -2.566 -7.692 529 HA3 GLY 69 3HA GLY 69 21.893 -1.607 -6.237 530 H GLU 70 H GLU 70 20.217 0.078 -6.308 531 HA GLU 70 HA GLU 70 17.756 -0.937 -7.137 532 HB2 GLU 70 2HB GLU 70 18.736 1.620 -6.033 533 HB3 GLU 70 3HB GLU 70 17.220 1.714 -6.918 534 HG2 GLU 70 2HG GLU 70 16.619 1.374 -4.683 535 HG3 GLU 70 3HG GLU 70 16.411 -0.192 -5.465 536 H LEU 71 H LEU 71 20.103 0.949 -8.839 537 HA LEU 71 HA LEU 71 18.513 2.132 -10.808 538 HB2 LEU 71 2HB LEU 71 20.850 2.704 -10.480 539 HB3 LEU 71 3HB LEU 71 21.337 1.091 -10.996 540 HG LEU 71 HG LEU 71 20.410 1.603 -13.252 541 HD11 LEU 71 1HD1 LEU 71 19.435 3.914 -11.857 542 HD12 LEU 71 2HD1 LEU 71 19.059 3.345 -13.483 543 HD13 LEU 71 3HD1 LEU 71 20.446 4.401 -13.217 544 HD21 LEU 71 1HD2 LEU 71 22.230 3.311 -13.798 545 HD22 LEU 71 2HD2 LEU 71 22.737 1.789 -13.065 546 HD23 LEU 71 3HD2 LEU 71 22.631 3.249 -12.082 547 H LYS 72 H LYS 72 19.593 -1.149 -10.412 548 HA LYS 72 HA LYS 72 19.094 -1.997 -13.089 549 HB2 LYS 72 2HB LYS 72 20.056 -3.165 -10.641 550 HB3 LYS 72 3HB LYS 72 18.838 -4.211 -11.358 551 HG2 LYS 72 2HG LYS 72 21.332 -3.195 -12.706 552 HG3 LYS 72 3HG LYS 72 21.048 -4.834 -12.116 553 HD2 LYS 72 2HD LYS 72 18.891 -4.115 -13.826 554 HD3 LYS 72 3HD LYS 72 20.403 -3.726 -14.651 555 HE2 LYS 72 2HE LYS 72 19.765 -5.987 -15.185 556 HE3 LYS 72 3HE LYS 72 21.207 -6.015 -14.171 557 HZ1 LYS 72 1HZ LYS 72 19.525 -7.670 -13.522 558 HZ2 LYS 72 2HZ LYS 72 18.443 -6.419 -13.166 559 HZ3 LYS 72 3HZ LYS 72 19.875 -6.577 -12.278 560 H THR 73 H THR 73 17.123 -1.471 -10.312 561 HA THR 73 HA THR 73 14.929 -3.097 -11.302 562 HB THR 73 HB THR 73 14.787 -1.178 -8.983 563 HG1 THR 73 HG1 THR 73 15.284 -3.302 -7.822 564 HG21 THR 73 1HG2 THR 73 13.342 -3.393 -8.340 565 HG22 THR 73 2HG2 THR 73 13.123 -3.334 -10.089 566 HG23 THR 73 3HG2 THR 73 12.672 -1.948 -9.095 567 H TRP 74 H TRP 74 15.814 0.298 -11.030 568 HA TRP 74 HA TRP 74 13.325 1.401 -11.746 569 HB2 TRP 74 2HB TRP 74 15.070 2.762 -10.735 570 HB3 TRP 74 3HB TRP 74 16.120 2.495 -12.125 571 HD1 TRP 74 HD1 TRP 74 16.236 4.617 -13.533 572 HE1 TRP 74 HE1 TRP 74 14.582 6.444 -14.274 573 HE3 TRP 74 HE3 TRP 74 12.053 2.956 -11.107 574 HZ2 TRP 74 HZ2 TRP 74 11.863 7.095 -13.882 575 HZ3 TRP 74 HZ3 TRP 74 9.967 4.239 -11.342 576 HH2 TRP 74 HH2 TRP 74 9.876 6.266 -12.700 577 H GLY 75 H GLY 75 16.152 0.503 -13.700 578 HA2 GLY 75 2HA GLY 75 15.207 1.423 -16.173 579 HA3 GLY 75 3HA GLY 75 16.379 0.132 -15.953 580 H LEU 76 H LEU 76 14.613 -1.601 -14.472 581 HA LEU 76 HA LEU 76 13.246 -2.791 -16.714 582 HB2 LEU 76 2HB LEU 76 13.866 -3.584 -13.914 583 HB3 LEU 76 3HB LEU 76 12.549 -4.409 -14.746 584 HG LEU 76 HG LEU 76 15.421 -4.300 -15.667 585 HD11 LEU 76 1HD1 LEU 76 15.011 -6.871 -15.234 586 HD12 LEU 76 2HD1 LEU 76 13.849 -6.245 -14.065 587 HD13 LEU 76 3HD1 LEU 76 15.549 -5.790 -13.948 588 HD21 LEU 76 1HD2 LEU 76 14.315 -4.571 -17.646 589 HD22 LEU 76 2HD2 LEU 76 12.907 -5.315 -16.888 590 HD23 LEU 76 3HD2 LEU 76 14.385 -6.251 -17.115 591 H VAL 77 H VAL 77 12.254 -1.685 -13.472 592 HA VAL 77 HA VAL 77 9.527 -2.068 -13.709 593 HB VAL 77 HB VAL 77 10.980 0.134 -12.240 594 HG11 VAL 77 1HG1 VAL 77 8.144 -0.373 -12.613 595 HG12 VAL 77 2HG1 VAL 77 8.612 -0.358 -10.911 596 HG13 VAL 77 3HG1 VAL 77 8.962 1.035 -11.936 597 HG21 VAL 77 1HG2 VAL 77 9.753 -2.255 -10.946 598 HG22 VAL 77 2HG2 VAL 77 11.316 -2.420 -11.746 599 HG23 VAL 77 3HG2 VAL 77 11.119 -1.269 -10.425 600 H LEU 78 H LEU 78 11.528 0.486 -15.014 601 HA LEU 78 HA LEU 78 9.312 2.155 -15.775 602 HB2 LEU 78 2HB LEU 78 11.747 2.842 -15.264 603 HB3 LEU 78 3HB LEU 78 12.074 2.343 -16.922 604 HG LEU 78 HG LEU 78 10.327 4.000 -17.653 605 HD11 LEU 78 1HD1 LEU 78 9.054 4.992 -16.137 606 HD12 LEU 78 2HD1 LEU 78 10.485 5.745 -15.433 607 HD13 LEU 78 3HD1 LEU 78 9.932 4.178 -14.842 608 HD21 LEU 78 1HD2 LEU 78 11.948 5.977 -16.776 609 HD22 LEU 78 2HD2 LEU 78 12.330 4.909 -18.127 610 HD23 LEU 78 3HD2 LEU 78 12.982 4.570 -16.522 611 H GLY 79 H GLY 79 11.206 -0.384 -17.233 612 HA2 GLY 79 2HA GLY 79 10.649 0.074 -19.938 613 HA3 GLY 79 3HA GLY 79 10.996 -1.496 -19.229 614 H ALA 80 H ALA 80 8.661 -1.285 -17.413 615 HA ALA 80 HA ALA 80 6.696 -2.300 -19.292 616 HB1 ALA 80 1HB ALA 80 6.612 -3.720 -17.543 617 HB2 ALA 80 2HB ALA 80 7.165 -2.506 -16.390 618 HB3 ALA 80 3HB ALA 80 5.478 -2.531 -16.903 619 H LEU 81 H LEU 81 6.867 0.224 -16.791 620 HA LEU 81 HA LEU 81 4.290 1.248 -17.118 621 HB2 LEU 81 2HB LEU 81 6.767 2.795 -16.378 622 HB3 LEU 81 3HB LEU 81 5.100 3.246 -16.026 623 HG LEU 81 HG LEU 81 6.295 0.723 -14.924 624 HD11 LEU 81 1HD1 LEU 81 7.532 3.029 -14.427 625 HD12 LEU 81 2HD1 LEU 81 7.330 1.775 -13.204 626 HD13 LEU 81 3HD1 LEU 81 6.234 3.157 -13.240 627 HD21 LEU 81 1HD2 LEU 81 4.544 1.860 -13.117 628 HD22 LEU 81 2HD2 LEU 81 4.187 0.532 -14.223 629 HD23 LEU 81 3HD2 LEU 81 3.800 2.191 -14.682 630 H LYS 82 H LYS 82 7.136 1.614 -19.054 631 HA LYS 82 HA LYS 82 6.477 3.995 -20.406 632 HB2 LYS 82 2HB LYS 82 8.564 2.143 -20.468 633 HB3 LYS 82 3HB LYS 82 7.874 2.082 -22.084 634 HG2 LYS 82 2HG LYS 82 8.846 3.993 -22.632 635 HG3 LYS 82 3HG LYS 82 8.149 4.809 -21.231 636 HD2 LYS 82 2HD LYS 82 10.077 3.409 -20.006 637 HD3 LYS 82 3HD LYS 82 10.825 3.597 -21.594 638 HE2 LYS 82 2HE LYS 82 9.600 6.031 -20.488 639 HE3 LYS 82 3HE LYS 82 10.986 5.417 -19.588 640 HZ1 LYS 82 1HZ LYS 82 12.146 6.582 -21.088 641 HZ2 LYS 82 2HZ LYS 82 10.880 6.634 -22.208 642 HZ3 LYS 82 3HZ LYS 82 11.869 5.264 -22.112 643 H ALA 83 H ALA 83 5.858 0.591 -21.217 644 HA ALA 83 HA ALA 83 4.305 1.321 -23.545 645 HB1 ALA 83 1HB ALA 83 5.145 -1.257 -22.291 646 HB2 ALA 83 2HB ALA 83 3.842 -1.240 -23.481 647 HB3 ALA 83 3HB ALA 83 5.445 -0.649 -23.920 648 H ALA 84 H ALA 84 3.745 0.602 -20.210 649 HA ALA 84 HA ALA 84 1.136 -0.324 -20.211 650 HB1 ALA 84 1HB ALA 84 2.257 1.626 -18.207 651 HB2 ALA 84 2HB ALA 84 0.978 0.437 -17.955 652 HB3 ALA 84 3HB ALA 84 2.638 -0.097 -18.224 653 H ARG 85 H ARG 85 2.261 3.054 -20.159 654 HA ARG 85 HA ARG 85 -0.350 4.172 -20.230 655 HB2 ARG 85 2HB ARG 85 0.800 6.289 -20.735 656 HB3 ARG 85 3HB ARG 85 1.544 5.446 -19.384 657 HG2 ARG 85 2HG ARG 85 3.010 4.498 -21.458 658 HG3 ARG 85 3HG ARG 85 2.635 6.130 -22.015 659 HD2 ARG 85 2HD ARG 85 3.423 6.948 -19.762 660 HD3 ARG 85 3HD ARG 85 4.019 5.315 -19.469 661 HE ARG 85 HE ARG 85 5.794 5.774 -20.826 662 HH11 ARG 85 1HH1 ARG 85 3.259 8.067 -21.487 663 HH12 ARG 85 2HH1 ARG 85 4.223 9.019 -22.567 664 HH21 ARG 85 1HH2 ARG 85 7.073 7.019 -22.247 665 HH22 ARG 85 2HH2 ARG 85 6.392 8.421 -23.000 666 H GLU 86 H GLU 86 2.006 3.302 -22.695 667 HA GLU 86 HA GLU 86 0.862 4.574 -24.896 668 HB2 GLU 86 2HB GLU 86 2.523 2.090 -24.597 669 HB3 GLU 86 3HB GLU 86 1.908 2.569 -26.173 670 HG2 GLU 86 2HG GLU 86 3.316 4.634 -24.593 671 HG3 GLU 86 3HG GLU 86 4.287 3.324 -25.261 672 H GLU 87 H GLU 87 0.643 1.058 -24.404 673 HA GLU 87 HA GLU 87 -1.542 0.658 -26.068 674 HB2 GLU 87 2HB GLU 87 -0.360 -0.892 -23.799 675 HB3 GLU 87 3HB GLU 87 -1.889 -1.416 -24.489 676 HG2 GLU 87 2HG GLU 87 -0.936 -2.160 -26.381 677 HG3 GLU 87 3HG GLU 87 0.237 -0.846 -26.434 Start of MODEL 18 1 H1 SER 1 H SER 1 5.332 0.357 -2.751 2 HA SER 1 HA SER 1 3.950 -0.032 -0.876 3 HB2 SER 1 2HB SER 1 2.476 1.944 -1.944 4 HB3 SER 1 3HB SER 1 1.441 0.575 -2.350 5 HG SER 1 HG SER 1 0.932 0.366 -0.318 6 H GLU 2 H GLU 2 1.853 -1.545 -0.667 7 HA GLU 2 HA GLU 2 2.536 -4.011 -1.712 8 HB2 GLU 2 2HB GLU 2 0.367 -2.914 -0.163 9 HB3 GLU 2 3HB GLU 2 -0.250 -4.089 -1.316 10 HG2 GLU 2 2HG GLU 2 1.679 -5.582 -0.429 11 HG3 GLU 2 3HG GLU 2 1.655 -4.479 0.946 12 H ALA 3 H ALA 3 -0.471 -2.347 -2.641 13 HA ALA 3 HA ALA 3 -0.989 -3.798 -4.929 14 HB1 ALA 3 1HB ALA 3 -2.266 -1.811 -3.645 15 HB2 ALA 3 2HB ALA 3 -1.691 -0.937 -5.066 16 HB3 ALA 3 3HB ALA 3 -2.703 -2.368 -5.261 17 H VAL 4 H VAL 4 0.974 -0.875 -4.573 18 HA VAL 4 HA VAL 4 1.459 -0.328 -7.257 19 HB VAL 4 HB VAL 4 3.339 0.060 -4.923 20 HG11 VAL 4 1HG1 VAL 4 4.516 0.186 -7.050 21 HG12 VAL 4 2HG1 VAL 4 3.329 1.345 -7.653 22 HG13 VAL 4 3HG1 VAL 4 4.390 1.783 -6.313 23 HG21 VAL 4 1HG2 VAL 4 1.371 1.972 -6.175 24 HG22 VAL 4 2HG2 VAL 4 1.143 1.137 -4.639 25 HG23 VAL 4 3HG2 VAL 4 2.444 2.314 -4.818 26 H ILE 5 H ILE 5 3.328 -2.373 -5.024 27 HA ILE 5 HA ILE 5 5.265 -3.162 -6.928 28 HB ILE 5 HB ILE 5 4.388 -4.571 -4.404 29 HG12 ILE 5 2HG1 ILE 5 6.939 -3.049 -4.639 30 HG13 ILE 5 3HG1 ILE 5 5.448 -2.126 -4.482 31 HG21 ILE 5 1HG2 ILE 5 7.010 -5.232 -4.843 32 HG22 ILE 5 2HG2 ILE 5 5.621 -6.256 -5.201 33 HG23 ILE 5 3HG2 ILE 5 6.329 -5.257 -6.470 34 HD11 ILE 5 1HD1 ILE 5 6.415 -2.436 -2.317 35 HD12 ILE 5 2HD1 ILE 5 4.942 -3.401 -2.421 36 HD13 ILE 5 3HD1 ILE 5 6.518 -4.179 -2.563 37 H LYS 6 H LYS 6 2.038 -4.203 -6.296 38 HA LYS 6 HA LYS 6 2.332 -6.751 -7.631 39 HB2 LYS 6 2HB LYS 6 -0.072 -5.264 -6.569 40 HB3 LYS 6 3HB LYS 6 -0.178 -6.828 -7.365 41 HG2 LYS 6 2HG LYS 6 1.279 -7.788 -5.636 42 HG3 LYS 6 3HG LYS 6 1.321 -6.221 -4.824 43 HD2 LYS 6 2HD LYS 6 -1.397 -6.948 -5.342 44 HD3 LYS 6 3HD LYS 6 -0.581 -8.286 -4.530 45 HE2 LYS 6 2HE LYS 6 0.272 -6.573 -2.870 46 HE3 LYS 6 3HE LYS 6 -0.864 -5.439 -3.597 47 HZ1 LYS 6 1HZ LYS 6 -2.406 -7.601 -3.116 48 HZ2 LYS 6 2HZ LYS 6 -2.292 -6.249 -2.106 49 HZ3 LYS 6 3HZ LYS 6 -1.357 -7.622 -1.789 50 H VAL 7 H VAL 7 1.507 -3.502 -8.462 51 HA VAL 7 HA VAL 7 0.123 -4.128 -10.894 52 HB VAL 7 HB VAL 7 1.373 -1.528 -9.995 53 HG11 VAL 7 1HG1 VAL 7 -0.448 -2.201 -12.294 54 HG12 VAL 7 2HG1 VAL 7 -0.255 -0.561 -11.671 55 HG13 VAL 7 3HG1 VAL 7 1.131 -1.419 -12.346 56 HG21 VAL 7 1HG2 VAL 7 -0.439 -1.145 -8.753 57 HG22 VAL 7 2HG2 VAL 7 -1.526 -1.685 -10.032 58 HG23 VAL 7 3HG2 VAL 7 -0.806 -2.860 -8.932 59 H ILE 8 H ILE 8 3.414 -3.153 -10.039 60 HA ILE 8 HA ILE 8 4.293 -3.098 -12.780 61 HB ILE 8 HB ILE 8 5.881 -3.013 -10.212 62 HG12 ILE 8 2HG1 ILE 8 5.828 -0.622 -11.875 63 HG13 ILE 8 3HG1 ILE 8 4.218 -1.092 -11.342 64 HG21 ILE 8 1HG2 ILE 8 6.748 -2.517 -13.057 65 HG22 ILE 8 2HG2 ILE 8 7.728 -2.204 -11.625 66 HG23 ILE 8 3HG2 ILE 8 7.250 -3.854 -12.022 67 HD11 ILE 8 1HD1 ILE 8 5.240 -1.228 -9.004 68 HD12 ILE 8 2HD1 ILE 8 6.591 -0.326 -9.691 69 HD13 ILE 8 3HD1 ILE 8 4.970 0.369 -9.701 70 H SER 9 H SER 9 4.472 -5.336 -10.069 71 HA SER 9 HA SER 9 6.263 -7.162 -11.321 72 HB2 SER 9 2HB SER 9 5.899 -7.019 -8.852 73 HB3 SER 9 3HB SER 9 4.297 -7.719 -9.087 74 HG SER 9 HG SER 9 6.826 -8.902 -9.442 75 H SER 10 H SER 10 3.052 -6.413 -11.901 76 HA SER 10 HA SER 10 2.510 -9.070 -13.048 77 HB2 SER 10 2HB SER 10 0.887 -8.258 -11.334 78 HB3 SER 10 3HB SER 10 0.512 -6.894 -12.387 79 HG SER 10 HG SER 10 0.104 -9.650 -12.922 80 H ALA 11 H ALA 11 3.191 -5.826 -13.785 81 HA ALA 11 HA ALA 11 2.069 -6.046 -16.485 82 HB1 ALA 11 1HB ALA 11 3.008 -3.566 -16.487 83 HB2 ALA 11 2HB ALA 11 1.444 -3.974 -15.781 84 HB3 ALA 11 3HB ALA 11 2.856 -3.777 -14.742 85 H CYS 12 H CYS 12 5.041 -6.135 -14.747 86 HA CYS 12 HA CYS 12 6.718 -5.550 -17.014 87 HB2 CYS 12 2HB CYS 12 7.177 -6.363 -14.173 88 HB3 CYS 12 3HB CYS 12 8.481 -6.570 -15.335 89 HG CYS 12 HG CYS 12 6.925 -3.567 -14.843 90 H LYS 13 H LYS 13 5.502 -8.406 -15.380 91 HA LYS 13 HA LYS 13 7.174 -10.272 -16.733 92 HB2 LYS 13 2HB LYS 13 4.478 -10.792 -15.474 93 HB3 LYS 13 3HB LYS 13 5.739 -11.973 -15.800 94 HG2 LYS 13 2HG LYS 13 7.187 -10.888 -14.162 95 HG3 LYS 13 3HG LYS 13 5.927 -9.695 -13.839 96 HD2 LYS 13 2HD LYS 13 4.528 -11.274 -12.831 97 HD3 LYS 13 3HD LYS 13 5.395 -12.634 -13.548 98 HE2 LYS 13 2HE LYS 13 7.372 -11.999 -12.153 99 HE3 LYS 13 3HE LYS 13 6.352 -10.807 -11.349 100 HZ1 LYS 13 1HZ LYS 13 4.920 -13.134 -11.230 101 HZ2 LYS 13 2HZ LYS 13 5.798 -12.435 -9.965 102 HZ3 LYS 13 3HZ LYS 13 6.512 -13.625 -10.932 103 H THR 14 H THR 14 4.613 -8.387 -17.781 104 HA THR 14 HA THR 14 3.963 -10.271 -19.951 105 HB THR 14 HB THR 14 2.342 -7.952 -18.885 106 HG1 THR 14 HG1 THR 14 2.180 -10.765 -18.659 107 HG21 THR 14 1HG2 THR 14 2.073 -8.142 -21.302 108 HG22 THR 14 2HG2 THR 14 0.612 -8.681 -20.474 109 HG23 THR 14 3HG2 THR 14 1.736 -9.865 -21.142 110 H TYR 15 H TYR 15 5.154 -7.101 -19.165 111 HA TYR 15 HA TYR 15 5.149 -6.273 -21.963 112 HB2 TYR 15 2HB TYR 15 5.717 -4.877 -19.365 113 HB3 TYR 15 3HB TYR 15 6.240 -4.171 -20.889 114 HD1 TYR 15 HD1 TYR 15 3.119 -5.890 -19.740 115 HD2 TYR 15 HD2 TYR 15 4.858 -2.454 -21.550 116 HE1 TYR 15 HE1 TYR 15 0.877 -4.929 -20.057 117 HE2 TYR 15 HE2 TYR 15 2.621 -1.483 -21.870 118 HH TYR 15 HH TYR 15 0.272 -1.820 -20.621 119 H CYS 16 H CYS 16 7.529 -6.469 -19.311 120 HA CYS 16 HA CYS 16 9.759 -6.257 -21.078 121 HB2 CYS 16 2HB CYS 16 9.362 -6.703 -18.165 122 HB3 CYS 16 3HB CYS 16 10.897 -7.220 -18.852 123 HG CYS 16 HG CYS 16 10.947 -4.447 -20.103 124 H GLY 17 H GLY 17 7.836 -8.873 -19.877 125 HA2 GLY 17 2HA GLY 17 7.783 -11.040 -20.751 126 HA3 GLY 17 3HA GLY 17 9.310 -10.725 -21.564 127 H LYS 18 H LYS 18 10.689 -12.241 -20.908 128 HA LYS 18 HA LYS 18 10.646 -13.168 -18.148 129 HB2 LYS 18 2HB LYS 18 10.874 -14.677 -20.218 130 HB3 LYS 18 3HB LYS 18 12.534 -14.101 -20.299 131 HG2 LYS 18 2HG LYS 18 12.461 -14.849 -17.732 132 HG3 LYS 18 3HG LYS 18 11.258 -15.958 -18.394 133 HD2 LYS 18 2HD LYS 18 13.144 -16.275 -20.243 134 HD3 LYS 18 3HD LYS 18 14.180 -15.790 -18.899 135 HE2 LYS 18 2HE LYS 18 13.059 -17.569 -17.526 136 HE3 LYS 18 3HE LYS 18 12.270 -18.118 -19.004 137 HZ1 LYS 18 1HZ LYS 18 15.136 -18.194 -18.308 138 HZ2 LYS 18 2HZ LYS 18 14.640 -18.247 -19.924 139 HZ3 LYS 18 3HZ LYS 18 14.140 -19.452 -18.846 140 H THR 19 H THR 19 11.387 -10.559 -18.212 141 HA THR 19 HA THR 19 14.129 -10.713 -17.248 142 HB THR 19 HB THR 19 14.106 -8.279 -18.628 143 HG1 THR 19 HG1 THR 19 13.687 -9.013 -20.792 144 HG21 THR 19 1HG2 THR 19 15.732 -9.673 -20.154 145 HG22 THR 19 2HG2 THR 19 15.494 -10.905 -18.915 146 HG23 THR 19 3HG2 THR 19 16.150 -9.328 -18.476 147 H SER 20 H SER 20 11.238 -10.136 -16.368 148 HA SER 20 HA SER 20 11.148 -7.432 -15.524 149 HB2 SER 20 2HB SER 20 9.405 -8.425 -13.861 150 HB3 SER 20 3HB SER 20 9.052 -8.461 -15.588 151 HG SER 20 HG SER 20 9.646 -10.543 -13.845 152 HA PRO 21 HA PRO 21 13.615 -7.356 -11.898 153 HB2 PRO 21 2HB PRO 21 12.170 -5.740 -10.265 154 HB3 PRO 21 3HB PRO 21 13.043 -5.142 -11.681 155 HG2 PRO 21 2HG PRO 21 10.135 -5.787 -11.382 156 HG3 PRO 21 3HG PRO 21 10.897 -4.402 -12.186 157 HD2 PRO 21 2HD PRO 21 9.955 -6.542 -13.552 158 HD3 PRO 21 3HD PRO 21 11.362 -5.606 -14.096 159 H SER 22 H SER 22 13.149 -7.295 -9.303 160 HA SER 22 HA SER 22 11.634 -9.763 -8.790 161 HB2 SER 22 2HB SER 22 14.233 -8.831 -7.952 162 HB3 SER 22 3HB SER 22 13.224 -9.162 -6.544 163 HG SER 22 HG SER 22 13.506 -11.198 -6.920 164 H LYS 23 H LYS 23 10.028 -9.824 -7.307 165 HA LYS 23 HA LYS 23 8.589 -7.568 -6.642 166 HB2 LYS 23 2HB LYS 23 7.278 -8.940 -5.225 167 HB3 LYS 23 3HB LYS 23 7.846 -9.991 -6.515 168 HG2 LYS 23 2HG LYS 23 9.798 -10.418 -4.750 169 HG3 LYS 23 3HG LYS 23 8.497 -9.998 -3.633 170 HD2 LYS 23 2HD LYS 23 7.111 -11.690 -5.053 171 HD3 LYS 23 3HD LYS 23 8.697 -12.292 -5.540 172 HE2 LYS 23 2HE LYS 23 9.201 -12.342 -3.010 173 HE3 LYS 23 3HE LYS 23 7.453 -12.234 -2.813 174 HZ1 LYS 23 1HZ LYS 23 7.262 -14.230 -4.227 175 HZ2 LYS 23 2HZ LYS 23 8.102 -14.520 -2.788 176 HZ3 LYS 23 3HZ LYS 23 8.948 -14.361 -4.244 177 H LYS 24 H LYS 24 11.274 -9.041 -4.956 178 HA LYS 24 HA LYS 24 10.945 -7.468 -2.569 179 HB2 LYS 24 2HB LYS 24 11.977 -9.628 -2.352 180 HB3 LYS 24 3HB LYS 24 13.189 -9.228 -3.562 181 HG2 LYS 24 2HG LYS 24 13.042 -7.501 -1.160 182 HG3 LYS 24 3HG LYS 24 13.686 -9.133 -0.960 183 HD2 LYS 24 2HD LYS 24 15.104 -8.500 -3.071 184 HD3 LYS 24 3HD LYS 24 14.753 -6.848 -2.560 185 HE2 LYS 24 2HE LYS 24 15.603 -7.515 -0.274 186 HE3 LYS 24 3HE LYS 24 16.183 -9.004 -1.019 187 HZ1 LYS 24 1HZ LYS 24 17.001 -6.729 -2.511 188 HZ2 LYS 24 2HZ LYS 24 17.945 -7.948 -1.815 189 HZ3 LYS 24 3HZ LYS 24 17.503 -6.595 -0.901 190 H GLU 25 H GLU 25 12.911 -7.320 -5.488 191 HA GLU 25 HA GLU 25 14.627 -5.239 -4.671 192 HB2 GLU 25 2HB GLU 25 13.724 -6.120 -7.414 193 HB3 GLU 25 3HB GLU 25 14.950 -4.889 -7.148 194 HG2 GLU 25 2HG GLU 25 15.213 -7.621 -5.954 195 HG3 GLU 25 3HG GLU 25 15.705 -7.292 -7.615 196 H ILE 26 H ILE 26 11.491 -5.230 -6.298 197 HA ILE 26 HA ILE 26 11.295 -2.565 -7.001 198 HB ILE 26 HB ILE 26 9.089 -4.349 -5.965 199 HG12 ILE 26 2HG1 ILE 26 9.785 -3.707 -8.831 200 HG13 ILE 26 3HG1 ILE 26 10.433 -5.111 -7.991 201 HG21 ILE 26 1HG2 ILE 26 8.991 -1.740 -7.467 202 HG22 ILE 26 2HG2 ILE 26 7.612 -2.822 -7.277 203 HG23 ILE 26 3HG2 ILE 26 8.351 -2.078 -5.859 204 HD11 ILE 26 1HD1 ILE 26 7.542 -4.527 -8.575 205 HD12 ILE 26 2HD1 ILE 26 8.550 -5.780 -9.301 206 HD13 ILE 26 3HD1 ILE 26 8.113 -5.877 -7.595 207 H GLY 27 H GLY 27 10.655 -4.087 -3.870 208 HA2 GLY 27 2HA GLY 27 9.623 -1.778 -2.597 209 HA3 GLY 27 3HA GLY 27 10.284 -3.191 -1.788 210 H ALA 28 H ALA 28 12.851 -2.779 -3.336 211 HA ALA 28 HA ALA 28 14.032 -0.935 -1.418 212 HB1 ALA 28 1HB ALA 28 15.497 -2.634 -1.451 213 HB2 ALA 28 2HB ALA 28 14.985 -3.179 -3.049 214 HB3 ALA 28 3HB ALA 28 16.122 -1.840 -2.896 215 H MET 29 H MET 29 12.622 -0.593 -4.339 216 HA MET 29 HA MET 29 14.529 1.432 -5.288 217 HB2 MET 29 2HB MET 29 13.948 -0.266 -6.940 218 HB3 MET 29 3HB MET 29 12.238 0.081 -6.725 219 HG2 MET 29 2HG MET 29 12.648 2.378 -7.550 220 HG3 MET 29 3HG MET 29 14.320 1.925 -7.869 221 HE1 MET 29 1HE MET 29 10.747 1.949 -8.876 222 HE2 MET 29 2HE MET 29 10.603 0.893 -10.282 223 HE3 MET 29 3HE MET 29 10.687 0.199 -8.662 224 H LEU 30 H LEU 30 11.056 0.910 -4.732 225 HA LEU 30 HA LEU 30 10.308 3.605 -5.181 226 HB2 LEU 30 2HB LEU 30 9.016 1.217 -3.954 227 HB3 LEU 30 3HB LEU 30 8.284 2.802 -3.707 228 HG LEU 30 HG LEU 30 7.192 1.689 -5.539 229 HD11 LEU 30 1HD1 LEU 30 8.154 4.221 -5.619 230 HD12 LEU 30 2HD1 LEU 30 7.065 3.527 -6.820 231 HD13 LEU 30 3HD1 LEU 30 8.802 3.563 -7.122 232 HD21 LEU 30 1HD2 LEU 30 9.666 0.580 -6.052 233 HD22 LEU 30 2HD2 LEU 30 9.418 1.681 -7.407 234 HD23 LEU 30 3HD2 LEU 30 8.226 0.427 -7.059 235 H SER 31 H SER 31 11.477 1.866 -2.396 236 HA SER 31 HA SER 31 10.674 3.704 -0.405 237 HB2 SER 31 2HB SER 31 11.301 1.660 0.491 238 HB3 SER 31 3HB SER 31 12.706 1.510 -0.565 239 HG SER 31 HG SER 31 12.729 2.297 1.898 240 H LEU 32 H LEU 32 13.606 3.417 -2.360 241 HA LEU 32 HA LEU 32 14.988 5.549 -1.074 242 HB2 LEU 32 2HB LEU 32 16.257 3.894 -2.226 243 HB3 LEU 32 3HB LEU 32 15.369 4.172 -3.722 244 HG LEU 32 HG LEU 32 16.483 6.211 -4.124 245 HD11 LEU 32 1HD1 LEU 32 18.271 6.853 -2.261 246 HD12 LEU 32 2HD1 LEU 32 17.065 6.092 -1.223 247 HD13 LEU 32 3HD1 LEU 32 16.616 7.463 -2.238 248 HD21 LEU 32 1HD2 LEU 32 18.088 3.870 -3.381 249 HD22 LEU 32 2HD2 LEU 32 18.985 5.387 -3.457 250 HD23 LEU 32 3HD2 LEU 32 18.084 4.824 -4.865 251 H LEU 33 H LEU 33 13.295 5.308 -4.198 252 HA LEU 33 HA LEU 33 13.636 7.889 -5.100 253 HB2 LEU 33 2HB LEU 33 11.181 6.160 -5.372 254 HB3 LEU 33 3HB LEU 33 11.542 7.579 -6.353 255 HG LEU 33 HG LEU 33 13.379 5.205 -6.294 256 HD11 LEU 33 1HD1 LEU 33 11.593 4.052 -7.080 257 HD12 LEU 33 2HD1 LEU 33 12.087 4.821 -8.588 258 HD13 LEU 33 3HD1 LEU 33 10.761 5.501 -7.644 259 HD21 LEU 33 1HD2 LEU 33 14.349 7.160 -7.248 260 HD22 LEU 33 2HD2 LEU 33 12.900 7.488 -8.199 261 HD23 LEU 33 3HD2 LEU 33 13.906 6.089 -8.578 262 H GLN 34 H GLN 34 11.495 6.700 -2.612 263 HA GLN 34 HA GLN 34 9.874 9.039 -2.441 264 HB2 GLN 34 2HB GLN 34 10.328 6.668 -0.653 265 HB3 GLN 34 3HB GLN 34 9.359 8.031 -0.110 266 HG2 GLN 34 2HG GLN 34 7.794 7.709 -1.891 267 HG3 GLN 34 3HG GLN 34 8.815 6.474 -2.624 268 HE21 GLN 34 1HE2 GLN 34 6.604 7.218 -0.059 269 HE22 GLN 34 2HE2 GLN 34 6.338 5.593 0.462 270 H LYS 35 H LYS 35 12.360 7.757 -0.223 271 HA LYS 35 HA LYS 35 12.541 10.007 1.409 272 HB2 LYS 35 2HB LYS 35 14.813 9.129 2.002 273 HB3 LYS 35 3HB LYS 35 13.519 7.945 2.130 274 HG2 LYS 35 2HG LYS 35 14.169 7.060 -0.088 275 HG3 LYS 35 3HG LYS 35 15.531 8.184 -0.097 276 HD2 LYS 35 2HD LYS 35 16.286 6.012 0.642 277 HD3 LYS 35 3HD LYS 35 16.351 7.145 1.995 278 HE2 LYS 35 2HE LYS 35 13.814 5.695 1.732 279 HE3 LYS 35 3HE LYS 35 15.207 4.672 2.077 280 HZ1 LYS 35 1HZ LYS 35 15.252 6.984 3.710 281 HZ2 LYS 35 2HZ LYS 35 15.207 5.357 4.169 282 HZ3 LYS 35 3HZ LYS 35 13.766 6.193 3.876 283 H GLU 36 H GLU 36 14.138 9.258 -1.634 284 HA GLU 36 HA GLU 36 16.028 11.349 -1.590 285 HB2 GLU 36 2HB GLU 36 15.047 9.393 -3.508 286 HB3 GLU 36 3HB GLU 36 15.408 10.935 -4.270 287 HG2 GLU 36 2HG GLU 36 17.371 9.621 -2.432 288 HG3 GLU 36 3HG GLU 36 17.260 9.170 -4.132 289 H GLY 37 H GLY 37 12.653 11.389 -1.950 290 HA2 GLY 37 2HA GLY 37 11.277 13.263 -2.055 291 HA3 GLY 37 3HA GLY 37 12.690 14.248 -2.402 292 H LEU 38 H LEU 38 12.136 11.401 -4.285 293 HA LEU 38 HA LEU 38 11.819 13.026 -6.660 294 HB2 LEU 38 2HB LEU 38 12.023 10.045 -6.272 295 HB3 LEU 38 3HB LEU 38 11.913 10.839 -7.841 296 HG LEU 38 HG LEU 38 14.156 11.277 -5.874 297 HD11 LEU 38 1HD1 LEU 38 15.379 9.957 -7.777 298 HD12 LEU 38 2HD1 LEU 38 13.774 9.281 -8.052 299 HD13 LEU 38 3HD1 LEU 38 14.548 9.101 -6.478 300 HD21 LEU 38 1HD2 LEU 38 14.973 11.863 -8.461 301 HD22 LEU 38 2HD2 LEU 38 14.593 13.020 -7.185 302 HD23 LEU 38 3HD2 LEU 38 13.351 12.547 -8.345 303 H LEU 39 H LEU 39 9.857 11.091 -4.560 304 HA LEU 39 HA LEU 39 7.469 11.983 -5.904 305 HB2 LEU 39 2HB LEU 39 6.622 9.539 -5.945 306 HB3 LEU 39 3HB LEU 39 7.628 10.134 -7.264 307 HG LEU 39 HG LEU 39 9.586 9.068 -5.986 308 HD11 LEU 39 1HD1 LEU 39 7.434 8.456 -4.219 309 HD12 LEU 39 2HD1 LEU 39 9.151 8.096 -4.045 310 HD13 LEU 39 3HD1 LEU 39 8.090 6.954 -4.870 311 HD21 LEU 39 1HD2 LEU 39 9.446 7.353 -7.431 312 HD22 LEU 39 2HD2 LEU 39 8.021 8.207 -8.023 313 HD23 LEU 39 3HD2 LEU 39 7.840 6.879 -6.875 314 H MET 40 H MET 40 5.720 12.054 -4.556 315 HA MET 40 HA MET 40 6.195 11.864 -1.767 316 HB2 MET 40 2HB MET 40 3.998 12.695 -3.522 317 HB3 MET 40 3HB MET 40 3.462 11.990 -2.003 318 HG2 MET 40 2HG MET 40 5.487 13.726 -1.265 319 HG3 MET 40 3HG MET 40 4.621 14.582 -2.538 320 HE1 MET 40 1HE MET 40 3.315 13.558 1.660 321 HE2 MET 40 2HE MET 40 3.106 12.183 0.575 322 HE3 MET 40 3HE MET 40 4.693 12.931 0.754 323 H SER 41 H SER 41 4.810 9.708 -4.130 324 HA SER 41 HA SER 41 4.658 7.622 -2.088 325 HB2 SER 41 2HB SER 41 2.364 8.807 -3.468 326 HB3 SER 41 3HB SER 41 2.443 7.053 -3.637 327 HG SER 41 HG SER 41 1.312 7.910 -1.727 328 HA PRO 42 HA PRO 42 6.368 4.993 -5.154 329 HB2 PRO 42 2HB PRO 42 5.129 2.628 -4.660 330 HB3 PRO 42 3HB PRO 42 6.356 3.312 -3.587 331 HG2 PRO 42 2HG PRO 42 3.373 3.383 -3.342 332 HG3 PRO 42 3HG PRO 42 4.591 3.081 -2.090 333 HD2 PRO 42 2HD PRO 42 3.378 5.482 -2.393 334 HD3 PRO 42 3HD PRO 42 5.050 5.323 -1.818 335 H SER 43 H SER 43 3.075 5.777 -5.203 336 HA SER 43 HA SER 43 2.422 4.214 -7.555 337 HB2 SER 43 2HB SER 43 0.309 5.824 -7.354 338 HB3 SER 43 3HB SER 43 0.507 4.424 -6.300 339 HG SER 43 HG SER 43 0.631 5.733 -4.673 340 H ASP 44 H ASP 44 4.149 6.963 -7.030 341 HA ASP 44 HA ASP 44 3.193 8.708 -9.039 342 HB2 ASP 44 2HB ASP 44 4.981 9.000 -7.069 343 HB3 ASP 44 3HB ASP 44 6.097 8.685 -8.395 344 H LEU 45 H LEU 45 4.774 5.731 -9.233 345 HA LEU 45 HA LEU 45 6.417 6.021 -11.470 346 HB2 LEU 45 2HB LEU 45 5.269 3.866 -9.943 347 HB3 LEU 45 3HB LEU 45 5.246 3.486 -11.664 348 HG LEU 45 HG LEU 45 7.720 4.034 -11.681 349 HD11 LEU 45 1HD1 LEU 45 8.367 5.124 -9.819 350 HD12 LEU 45 2HD1 LEU 45 8.554 3.491 -9.180 351 HD13 LEU 45 3HD1 LEU 45 7.093 4.413 -8.827 352 HD21 LEU 45 1HD2 LEU 45 6.802 1.717 -9.980 353 HD22 LEU 45 2HD2 LEU 45 8.344 1.842 -10.828 354 HD23 LEU 45 3HD2 LEU 45 6.838 1.748 -11.743 355 H TYR 46 H TYR 46 2.963 5.853 -11.197 356 HA TYR 46 HA TYR 46 2.506 5.261 -13.976 357 HB2 TYR 46 2HB TYR 46 0.520 6.371 -11.991 358 HB3 TYR 46 3HB TYR 46 0.174 5.490 -13.474 359 HD1 TYR 46 HD1 TYR 46 1.993 3.206 -13.300 360 HD2 TYR 46 HD2 TYR 46 -0.326 5.073 -10.260 361 HE1 TYR 46 HE1 TYR 46 1.955 1.094 -12.040 362 HE2 TYR 46 HE2 TYR 46 -0.369 2.967 -8.991 363 HH TYR 46 HH TYR 46 0.109 0.781 -9.035 364 H SER 47 H SER 47 3.652 7.929 -12.470 365 HA SER 47 HA SER 47 2.317 9.797 -14.312 366 HB2 SER 47 2HB SER 47 2.265 10.229 -11.792 367 HB3 SER 47 3HB SER 47 3.990 10.573 -11.922 368 HG SER 47 HG SER 47 3.223 12.074 -13.692 369 HA PRO 48 HA PRO 48 6.442 9.297 -16.230 370 HB2 PRO 48 2HB PRO 48 5.559 9.818 -18.744 371 HB3 PRO 48 3HB PRO 48 5.453 8.217 -18.002 372 HG2 PRO 48 2HG PRO 48 3.342 10.322 -18.275 373 HG3 PRO 48 3HG PRO 48 3.215 8.571 -18.524 374 HD2 PRO 48 2HD PRO 48 2.372 9.784 -16.255 375 HD3 PRO 48 3HD PRO 48 3.032 8.136 -16.267 376 H GLY 49 H GLY 49 6.454 11.434 -14.826 377 HA2 GLY 49 2HA GLY 49 7.015 13.594 -16.726 378 HA3 GLY 49 3HA GLY 49 5.901 13.929 -15.409 379 H SER 50 H SER 50 8.229 11.709 -14.457 380 HA SER 50 HA SER 50 10.072 13.786 -13.511 381 HB2 SER 50 2HB SER 50 8.157 12.750 -11.846 382 HB3 SER 50 3HB SER 50 9.525 11.685 -11.525 383 HG SER 50 HG SER 50 9.248 14.428 -11.067 384 H TRP 51 H TRP 51 9.803 11.179 -15.303 385 HA TRP 51 HA TRP 51 11.773 9.402 -14.303 386 HB2 TRP 51 2HB TRP 51 10.763 9.812 -17.126 387 HB3 TRP 51 3HB TRP 51 11.766 8.462 -16.600 388 HD1 TRP 51 HD1 TRP 51 9.693 8.721 -13.762 389 HE1 TRP 51 HE1 TRP 51 7.575 7.266 -13.917 390 HE3 TRP 51 HE3 TRP 51 9.679 7.839 -18.798 391 HZ2 TRP 51 HZ2 TRP 51 6.095 5.922 -15.909 392 HZ3 TRP 51 HZ3 TRP 51 7.878 6.458 -19.749 393 HH2 TRP 51 HH2 TRP 51 6.124 5.520 -18.332 394 H ASP 52 H ASP 52 11.896 12.288 -16.265 395 HA ASP 52 HA ASP 52 14.485 11.983 -17.322 396 HB2 ASP 52 2HB ASP 52 12.559 14.195 -16.981 397 HB3 ASP 52 3HB ASP 52 14.248 14.681 -17.099 398 HA PRO 53 HA PRO 53 16.024 14.559 -13.530 399 HB2 PRO 53 2HB PRO 53 14.291 14.878 -11.465 400 HB3 PRO 53 3HB PRO 53 14.395 16.013 -12.817 401 HG2 PRO 53 2HG PRO 53 12.437 13.796 -12.350 402 HG3 PRO 53 3HG PRO 53 12.143 15.444 -12.937 403 HD2 PRO 53 2HD PRO 53 12.269 13.307 -14.596 404 HD3 PRO 53 3HD PRO 53 12.797 14.930 -15.086 405 H ILE 54 H ILE 54 13.807 11.889 -12.969 406 HA ILE 54 HA ILE 54 15.141 10.944 -10.614 407 HB ILE 54 HB ILE 54 13.031 9.770 -12.404 408 HG12 ILE 54 2HG1 ILE 54 13.017 10.473 -9.462 409 HG13 ILE 54 3HG1 ILE 54 12.441 11.536 -10.740 410 HG21 ILE 54 1HG2 ILE 54 14.295 7.862 -11.802 411 HG22 ILE 54 2HG2 ILE 54 14.500 8.432 -10.147 412 HG23 ILE 54 3HG2 ILE 54 12.913 7.904 -10.706 413 HD11 ILE 54 1HD1 ILE 54 10.760 9.842 -11.345 414 HD12 ILE 54 2HD1 ILE 54 11.308 8.854 -9.990 415 HD13 ILE 54 3HD1 ILE 54 10.583 10.433 -9.693 416 H THR 55 H THR 55 14.942 9.776 -13.974 417 HA THR 55 HA THR 55 16.674 7.613 -13.735 418 HB THR 55 HB THR 55 16.217 9.390 -16.139 419 HG1 THR 55 HG1 THR 55 14.930 7.338 -16.634 420 HG21 THR 55 1HG2 THR 55 18.236 8.176 -16.524 421 HG22 THR 55 2HG2 THR 55 16.956 7.347 -17.411 422 HG23 THR 55 3HG2 THR 55 17.536 6.691 -15.881 423 H ALA 56 H ALA 56 17.377 11.008 -14.449 424 HA ALA 56 HA ALA 56 20.130 10.691 -14.964 425 HB1 ALA 56 1HB ALA 56 18.762 12.694 -15.549 426 HB2 ALA 56 2HB ALA 56 18.790 13.145 -13.844 427 HB3 ALA 56 3HB ALA 56 20.295 13.067 -14.759 428 H ALA 57 H ALA 57 18.301 11.082 -11.999 429 HA ALA 57 HA ALA 57 20.562 11.595 -10.329 430 HB1 ALA 57 1HB ALA 57 19.072 11.821 -8.641 431 HB2 ALA 57 2HB ALA 57 17.934 11.953 -9.982 432 HB3 ALA 57 3HB ALA 57 18.127 10.417 -9.137 433 H LEU 58 H LEU 58 18.471 8.732 -10.737 434 HA LEU 58 HA LEU 58 19.824 6.985 -9.083 435 HB2 LEU 58 2HB LEU 58 18.377 6.452 -11.669 436 HB3 LEU 58 3HB LEU 58 18.937 5.182 -10.584 437 HG LEU 58 HG LEU 58 16.841 7.269 -9.991 438 HD11 LEU 58 1HD1 LEU 58 15.535 5.781 -11.023 439 HD12 LEU 58 2HD1 LEU 58 15.765 4.781 -9.589 440 HD13 LEU 58 3HD1 LEU 58 16.784 4.536 -11.007 441 HD21 LEU 58 1HD2 LEU 58 17.692 6.999 -7.899 442 HD22 LEU 58 2HD2 LEU 58 18.354 5.403 -8.250 443 HD23 LEU 58 3HD2 LEU 58 16.627 5.594 -7.944 444 H SER 59 H SER 59 20.461 7.742 -12.482 445 HA SER 59 HA SER 59 22.445 5.853 -12.978 446 HB2 SER 59 2HB SER 59 21.832 6.916 -14.919 447 HB3 SER 59 3HB SER 59 21.716 8.496 -14.143 448 HG SER 59 HG SER 59 23.741 8.864 -14.597 449 H GLN 60 H GLN 60 22.560 8.830 -11.190 450 HA GLN 60 HA GLN 60 25.411 9.073 -11.173 451 HB2 GLN 60 2HB GLN 60 23.222 10.652 -10.367 452 HB3 GLN 60 3HB GLN 60 24.165 10.351 -8.913 453 HG2 GLN 60 2HG GLN 60 26.181 11.142 -10.145 454 HG3 GLN 60 3HG GLN 60 25.120 11.598 -11.477 455 HE21 GLN 60 1HE2 GLN 60 25.164 13.748 -11.457 456 HE22 GLN 60 2HE2 GLN 60 24.786 14.742 -10.096 457 H ARG 61 H ARG 61 23.125 7.213 -9.418 458 HA ARG 61 HA ARG 61 24.662 6.849 -7.041 459 HB2 ARG 61 2HB ARG 61 22.124 6.466 -7.433 460 HB3 ARG 61 3HB ARG 61 22.616 4.887 -8.031 461 HG2 ARG 61 2HG ARG 61 22.938 4.097 -5.976 462 HG3 ARG 61 3HG ARG 61 23.830 5.534 -5.473 463 HD2 ARG 61 2HD ARG 61 21.553 6.687 -5.355 464 HD3 ARG 61 3HD ARG 61 20.862 5.068 -5.457 465 HE ARG 61 HE ARG 61 21.443 4.735 -3.274 466 HH11 ARG 61 1HH1 ARG 61 23.278 7.414 -4.528 467 HH12 ARG 61 2HH1 ARG 61 23.967 7.829 -2.993 468 HH21 ARG 61 1HH2 ARG 61 22.344 5.271 -1.248 469 HH22 ARG 61 2HH2 ARG 61 23.436 6.608 -1.129 470 H ALA 62 H ALA 62 24.100 4.848 -9.928 471 HA ALA 62 HA ALA 62 25.742 2.700 -9.173 472 HB1 ALA 62 1HB ALA 62 24.032 2.798 -11.056 473 HB2 ALA 62 2HB ALA 62 25.304 3.548 -12.021 474 HB3 ALA 62 3HB ALA 62 25.528 1.921 -11.378 475 H MET 63 H MET 63 26.534 5.863 -10.168 476 HA MET 63 HA MET 63 29.249 5.083 -10.951 477 HB2 MET 63 2HB MET 63 27.934 7.800 -11.097 478 HB3 MET 63 3HB MET 63 29.494 7.359 -11.777 479 HG2 MET 63 2HG MET 63 27.403 5.611 -12.724 480 HG3 MET 63 3HG MET 63 27.032 7.302 -13.051 481 HE1 MET 63 1HE MET 63 28.618 8.922 -14.447 482 HE2 MET 63 2HE MET 63 29.944 8.548 -13.346 483 HE3 MET 63 3HE MET 63 30.185 8.432 -15.090 484 H ILE 64 H ILE 64 27.745 7.652 -8.978 485 HA ILE 64 HA ILE 64 29.990 8.436 -7.577 486 HB ILE 64 HB ILE 64 27.136 8.341 -6.596 487 HG12 ILE 64 2HG1 ILE 64 27.712 9.686 -8.688 488 HG13 ILE 64 3HG1 ILE 64 26.928 10.566 -7.380 489 HG21 ILE 64 1HG2 ILE 64 28.091 8.761 -4.604 490 HG22 ILE 64 2HG2 ILE 64 29.625 9.246 -5.326 491 HG23 ILE 64 3HG2 ILE 64 28.285 10.390 -5.252 492 HD11 ILE 64 1HD1 ILE 64 29.017 11.537 -6.715 493 HD12 ILE 64 2HD1 ILE 64 29.892 10.553 -7.889 494 HD13 ILE 64 3HD1 ILE 64 28.778 11.803 -8.442 495 H LEU 65 H LEU 65 27.741 5.804 -6.846 496 HA LEU 65 HA LEU 65 29.332 5.040 -4.520 497 HB2 LEU 65 2HB LEU 65 26.593 4.743 -5.327 498 HB3 LEU 65 3HB LEU 65 27.285 3.165 -4.956 499 HG LEU 65 HG LEU 65 27.863 3.918 -2.719 500 HD11 LEU 65 1HD1 LEU 65 26.507 6.281 -2.326 501 HD12 LEU 65 2HD1 LEU 65 27.312 6.528 -3.875 502 HD13 LEU 65 3HD1 LEU 65 28.257 6.094 -2.451 503 HD21 LEU 65 1HD2 LEU 65 25.359 4.655 -2.111 504 HD22 LEU 65 2HD2 LEU 65 25.810 2.995 -2.501 505 HD23 LEU 65 3HD2 LEU 65 25.092 4.028 -3.738 506 H GLY 66 H GLY 66 27.873 3.259 -7.253 507 HA2 GLY 66 2HA GLY 66 29.304 2.018 -8.785 508 HA3 GLY 66 3HA GLY 66 30.378 1.708 -7.429 509 H LYS 67 H LYS 67 26.852 1.385 -7.751 510 HA LYS 67 HA LYS 67 27.154 -1.491 -7.194 511 HB2 LYS 67 2HB LYS 67 24.924 -1.243 -5.948 512 HB3 LYS 67 3HB LYS 67 26.374 -0.656 -5.145 513 HG2 LYS 67 2HG LYS 67 25.823 1.630 -5.865 514 HG3 LYS 67 3HG LYS 67 24.341 1.019 -6.605 515 HD2 LYS 67 2HD LYS 67 24.426 0.052 -3.945 516 HD3 LYS 67 3HD LYS 67 24.811 1.774 -3.894 517 HE2 LYS 67 2HE LYS 67 22.757 2.396 -4.670 518 HE3 LYS 67 3HE LYS 67 22.537 0.914 -5.598 519 HZ1 LYS 67 1HZ LYS 67 22.621 0.185 -2.923 520 HZ2 LYS 67 2HZ LYS 67 21.282 0.162 -3.955 521 HZ3 LYS 67 3HZ LYS 67 21.599 1.530 -3.011 522 H SER 68 H SER 68 25.017 1.037 -8.474 523 HA SER 68 HA SER 68 23.550 1.050 -10.213 524 HB2 SER 68 2HB SER 68 25.671 -0.504 -11.086 525 HB3 SER 68 3HB SER 68 24.266 -1.521 -11.401 526 HG SER 68 HG SER 68 24.320 -0.294 -13.163 527 H GLY 69 H GLY 69 23.119 -0.547 -7.662 528 HA2 GLY 69 2HA GLY 69 21.547 -2.811 -8.205 529 HA3 GLY 69 3HA GLY 69 21.457 -1.837 -6.745 530 H GLU 70 H GLU 70 20.160 0.176 -6.889 531 HA GLU 70 HA GLU 70 17.557 -0.320 -7.665 532 HB2 GLU 70 2HB GLU 70 18.637 1.575 -6.179 533 HB3 GLU 70 3HB GLU 70 18.550 2.498 -7.672 534 HG2 GLU 70 2HG GLU 70 16.236 2.457 -7.717 535 HG3 GLU 70 3HG GLU 70 16.141 1.064 -6.642 536 H LEU 71 H LEU 71 20.186 1.087 -9.503 537 HA LEU 71 HA LEU 71 18.760 2.206 -11.619 538 HB2 LEU 71 2HB LEU 71 21.307 2.195 -11.038 539 HB3 LEU 71 3HB LEU 71 21.344 0.787 -12.097 540 HG LEU 71 HG LEU 71 20.487 2.156 -13.940 541 HD11 LEU 71 1HD1 LEU 71 20.183 4.125 -11.772 542 HD12 LEU 71 2HD1 LEU 71 19.257 3.914 -13.258 543 HD13 LEU 71 3HD1 LEU 71 20.809 4.751 -13.298 544 HD21 LEU 71 1HD2 LEU 71 22.556 2.811 -14.497 545 HD22 LEU 71 2HD2 LEU 71 23.026 2.099 -12.953 546 HD23 LEU 71 3HD2 LEU 71 22.724 3.833 -13.069 547 H LYS 72 H LYS 72 19.542 -1.116 -10.909 548 HA LYS 72 HA LYS 72 18.947 -2.153 -13.498 549 HB2 LYS 72 2HB LYS 72 19.866 -3.170 -10.983 550 HB3 LYS 72 3HB LYS 72 18.518 -4.155 -11.535 551 HG2 LYS 72 2HG LYS 72 21.045 -3.560 -13.060 552 HG3 LYS 72 3HG LYS 72 20.600 -5.093 -12.306 553 HD2 LYS 72 2HD LYS 72 18.467 -4.323 -14.003 554 HD3 LYS 72 3HD LYS 72 19.966 -4.132 -14.914 555 HE2 LYS 72 2HE LYS 72 20.594 -6.443 -14.242 556 HE3 LYS 72 3HE LYS 72 19.009 -6.612 -13.490 557 HZ1 LYS 72 1HZ LYS 72 18.397 -5.760 -15.974 558 HZ2 LYS 72 2HZ LYS 72 18.393 -7.377 -15.479 559 HZ3 LYS 72 3HZ LYS 72 19.745 -6.739 -16.271 560 H THR 73 H THR 73 17.106 -1.709 -10.521 561 HA THR 73 HA THR 73 14.768 -3.052 -11.468 562 HB THR 73 HB THR 73 14.840 -1.006 -9.252 563 HG1 THR 73 HG1 THR 73 16.114 -2.339 -8.229 564 HG21 THR 73 1HG2 THR 73 12.744 -2.392 -10.322 565 HG22 THR 73 2HG2 THR 73 12.804 -1.771 -8.673 566 HG23 THR 73 3HG2 THR 73 13.236 -3.449 -8.999 567 H TRP 74 H TRP 74 15.795 0.327 -11.273 568 HA TRP 74 HA TRP 74 13.366 1.482 -12.108 569 HB2 TRP 74 2HB TRP 74 15.147 2.788 -11.045 570 HB3 TRP 74 3HB TRP 74 16.192 2.515 -12.437 571 HD1 TRP 74 HD1 TRP 74 16.363 4.697 -13.750 572 HE1 TRP 74 HE1 TRP 74 14.727 6.534 -14.508 573 HE3 TRP 74 HE3 TRP 74 12.101 2.958 -11.525 574 HZ2 TRP 74 HZ2 TRP 74 11.992 7.163 -14.202 575 HZ3 TRP 74 HZ3 TRP 74 10.018 4.236 -11.806 576 HH2 TRP 74 HH2 TRP 74 9.966 6.295 -13.117 577 H GLY 75 H GLY 75 16.231 0.441 -13.926 578 HA2 GLY 75 2HA GLY 75 15.390 1.347 -16.454 579 HA3 GLY 75 3HA GLY 75 16.550 0.058 -16.166 580 H LEU 76 H LEU 76 14.829 -1.714 -14.776 581 HA LEU 76 HA LEU 76 13.521 -2.930 -17.017 582 HB2 LEU 76 2HB LEU 76 13.942 -3.643 -14.150 583 HB3 LEU 76 3HB LEU 76 12.740 -4.523 -15.092 584 HG LEU 76 HG LEU 76 15.685 -4.336 -15.726 585 HD11 LEU 76 1HD1 LEU 76 15.727 -5.821 -14.015 586 HD12 LEU 76 2HD1 LEU 76 15.252 -6.930 -15.300 587 HD13 LEU 76 3HD1 LEU 76 14.033 -6.269 -14.211 588 HD21 LEU 76 1HD2 LEU 76 14.942 -6.289 -17.274 589 HD22 LEU 76 2HD2 LEU 76 14.700 -4.621 -17.795 590 HD23 LEU 76 3HD2 LEU 76 13.347 -5.546 -17.141 591 H VAL 77 H VAL 77 12.380 -1.701 -13.872 592 HA VAL 77 HA VAL 77 9.654 -2.091 -14.276 593 HB VAL 77 HB VAL 77 11.045 0.061 -12.678 594 HG11 VAL 77 1HG1 VAL 77 8.228 -0.383 -13.247 595 HG12 VAL 77 2HG1 VAL 77 8.585 -0.390 -11.519 596 HG13 VAL 77 3HG1 VAL 77 9.028 1.003 -12.507 597 HG21 VAL 77 1HG2 VAL 77 11.402 -2.417 -12.141 598 HG22 VAL 77 2HG2 VAL 77 10.882 -1.362 -10.826 599 HG23 VAL 77 3HG2 VAL 77 9.715 -2.415 -11.625 600 H LEU 78 H LEU 78 11.772 0.454 -15.405 601 HA LEU 78 HA LEU 78 9.705 2.241 -16.220 602 HB2 LEU 78 2HB LEU 78 12.023 2.944 -15.749 603 HB3 LEU 78 3HB LEU 78 12.559 2.057 -17.175 604 HG LEU 78 HG LEU 78 11.419 3.577 -18.631 605 HD11 LEU 78 1HD1 LEU 78 10.471 5.656 -17.087 606 HD12 LEU 78 2HD1 LEU 78 9.935 4.218 -16.219 607 HD13 LEU 78 3HD1 LEU 78 9.496 4.440 -17.913 608 HD21 LEU 78 1HD2 LEU 78 13.570 4.258 -17.068 609 HD22 LEU 78 2HD2 LEU 78 12.495 5.642 -16.876 610 HD23 LEU 78 3HD2 LEU 78 13.008 5.140 -18.488 611 H GLY 79 H GLY 79 11.283 -0.504 -17.658 612 HA2 GLY 79 2HA GLY 79 10.709 -0.010 -20.367 613 HA3 GLY 79 3HA GLY 79 10.960 -1.595 -19.651 614 H ALA 80 H ALA 80 8.827 -1.705 -17.880 615 HA ALA 80 HA ALA 80 6.713 -2.431 -19.643 616 HB1 ALA 80 1HB ALA 80 5.487 -3.003 -17.586 617 HB2 ALA 80 2HB ALA 80 7.114 -3.686 -17.612 618 HB3 ALA 80 3HB ALA 80 6.772 -2.260 -16.633 619 H LEU 81 H LEU 81 6.962 0.060 -17.103 620 HA LEU 81 HA LEU 81 4.478 1.226 -17.395 621 HB2 LEU 81 2HB LEU 81 7.080 2.634 -16.815 622 HB3 LEU 81 3HB LEU 81 5.469 3.259 -16.472 623 HG LEU 81 HG LEU 81 6.551 0.745 -15.217 624 HD11 LEU 81 1HD1 LEU 81 6.401 3.107 -13.523 625 HD12 LEU 81 2HD1 LEU 81 7.602 3.249 -14.806 626 HD13 LEU 81 3HD1 LEU 81 7.676 1.898 -13.675 627 HD21 LEU 81 1HD2 LEU 81 4.037 2.191 -15.152 628 HD22 LEU 81 2HD2 LEU 81 4.724 1.973 -13.543 629 HD23 LEU 81 3HD2 LEU 81 4.426 0.572 -14.572 630 H LYS 82 H LYS 82 7.451 1.901 -19.200 631 HA LYS 82 HA LYS 82 6.600 4.073 -20.698 632 HB2 LYS 82 2HB LYS 82 8.606 1.909 -21.107 633 HB3 LYS 82 3HB LYS 82 8.189 2.910 -22.492 634 HG2 LYS 82 2HG LYS 82 8.606 4.779 -20.546 635 HG3 LYS 82 3HG LYS 82 9.789 3.536 -20.132 636 HD2 LYS 82 2HD LYS 82 10.879 3.721 -22.189 637 HD3 LYS 82 3HD LYS 82 9.503 4.522 -22.950 638 HE2 LYS 82 2HE LYS 82 9.941 6.551 -21.854 639 HE3 LYS 82 3HE LYS 82 11.009 5.784 -20.679 640 HZ1 LYS 82 1HZ LYS 82 12.676 6.378 -21.991 641 HZ2 LYS 82 2HZ LYS 82 11.634 6.873 -23.228 642 HZ3 LYS 82 3HZ LYS 82 12.127 5.257 -23.134 643 H ALA 83 H ALA 83 6.734 0.734 -21.949 644 HA ALA 83 HA ALA 83 5.227 1.124 -24.225 645 HB1 ALA 83 1HB ALA 83 6.066 -0.954 -24.337 646 HB2 ALA 83 2HB ALA 83 5.990 -1.189 -22.590 647 HB3 ALA 83 3HB ALA 83 4.545 -1.421 -23.574 648 H ALA 84 H ALA 84 4.158 0.756 -20.924 649 HA ALA 84 HA ALA 84 1.508 0.044 -21.246 650 HB1 ALA 84 1HB ALA 84 2.261 2.125 -19.237 651 HB2 ALA 84 2HB ALA 84 1.159 0.757 -19.076 652 HB3 ALA 84 3HB ALA 84 2.901 0.487 -19.101 653 H ARG 85 H ARG 85 3.070 3.080 -21.924 654 HA ARG 85 HA ARG 85 0.564 4.512 -22.204 655 HB2 ARG 85 2HB ARG 85 3.371 5.404 -22.886 656 HB3 ARG 85 3HB ARG 85 1.948 6.432 -22.775 657 HG2 ARG 85 2HG ARG 85 1.908 6.367 -20.481 658 HG3 ARG 85 3HG ARG 85 2.763 4.825 -20.404 659 HD2 ARG 85 2HD ARG 85 3.914 7.529 -21.072 660 HD3 ARG 85 3HD ARG 85 4.240 6.551 -19.641 661 HE ARG 85 HE ARG 85 5.039 4.924 -21.609 662 HH11 ARG 85 1HH1 ARG 85 5.674 8.290 -20.990 663 HH12 ARG 85 2HH1 ARG 85 7.241 8.265 -21.730 664 HH21 ARG 85 1HH2 ARG 85 7.100 4.878 -22.586 665 HH22 ARG 85 2HH2 ARG 85 8.050 6.324 -22.639 666 H GLU 86 H GLU 86 3.334 4.231 -24.428 667 HA GLU 86 HA GLU 86 3.418 4.185 -26.710 668 HB2 GLU 86 2HB GLU 86 1.305 2.166 -26.022 669 HB3 GLU 86 3HB GLU 86 1.732 2.475 -27.699 670 HG2 GLU 86 2HG GLU 86 3.973 1.962 -25.852 671 HG3 GLU 86 3HG GLU 86 2.905 0.602 -26.195 672 H GLU 87 H GLU 87 2.231 6.459 -26.002 673 HA GLU 87 HA GLU 87 0.824 8.124 -26.662 674 HB2 GLU 87 2HB GLU 87 1.901 7.176 -28.879 675 HB3 GLU 87 3HB GLU 87 0.251 6.665 -29.204 676 HG2 GLU 87 2HG GLU 87 -0.517 8.966 -28.980 677 HG3 GLU 87 3HG GLU 87 1.131 9.486 -28.632 Start of MODEL 19 1 H1 SER 1 H SER 1 -0.703 0.853 -0.114 2 HA SER 1 HA SER 1 0.762 1.223 -1.823 3 HB2 SER 1 2HB SER 1 3.200 0.688 -1.191 4 HB3 SER 1 3HB SER 1 2.327 1.825 -0.163 5 HG SER 1 HG SER 1 1.828 -0.115 1.150 6 H GLU 2 H GLU 2 0.617 -1.994 -0.537 7 HA GLU 2 HA GLU 2 2.166 -3.431 -2.315 8 HB2 GLU 2 2HB GLU 2 -0.519 -4.260 -1.201 9 HB3 GLU 2 3HB GLU 2 0.714 -5.339 -1.839 10 HG2 GLU 2 2HG GLU 2 2.241 -4.521 -0.038 11 HG3 GLU 2 3HG GLU 2 0.866 -3.657 0.648 12 H ALA 3 H ALA 3 -1.050 -2.086 -2.758 13 HA ALA 3 HA ALA 3 -1.879 -3.380 -5.049 14 HB1 ALA 3 1HB ALA 3 -3.365 -1.592 -5.412 15 HB2 ALA 3 2HB ALA 3 -3.132 -1.660 -3.665 16 HB3 ALA 3 3HB ALA 3 -2.296 -0.436 -4.619 17 H VAL 4 H VAL 4 0.356 -0.664 -4.733 18 HA VAL 4 HA VAL 4 0.613 -0.075 -7.475 19 HB VAL 4 HB VAL 4 2.631 0.322 -5.262 20 HG11 VAL 4 1HG1 VAL 4 3.612 2.019 -6.724 21 HG12 VAL 4 2HG1 VAL 4 3.665 0.421 -7.471 22 HG13 VAL 4 3HG1 VAL 4 2.458 1.599 -7.989 23 HG21 VAL 4 1HG2 VAL 4 1.750 2.686 -5.363 24 HG22 VAL 4 2HG2 VAL 4 0.418 2.059 -6.335 25 HG23 VAL 4 3HG2 VAL 4 0.650 1.487 -4.682 26 H ILE 5 H ILE 5 2.783 -1.941 -5.343 27 HA ILE 5 HA ILE 5 4.571 -2.798 -7.286 28 HB ILE 5 HB ILE 5 3.701 -4.303 -4.816 29 HG12 ILE 5 2HG1 ILE 5 6.059 -2.449 -5.205 30 HG13 ILE 5 3HG1 ILE 5 4.548 -1.977 -4.435 31 HG21 ILE 5 1HG2 ILE 5 6.338 -4.905 -5.292 32 HG22 ILE 5 2HG2 ILE 5 4.960 -5.939 -5.667 33 HG23 ILE 5 3HG2 ILE 5 5.639 -4.888 -6.910 34 HD11 ILE 5 1HD1 ILE 5 5.602 -2.539 -2.550 35 HD12 ILE 5 2HD1 ILE 5 5.203 -4.193 -3.015 36 HD13 ILE 5 3HD1 ILE 5 6.793 -3.530 -3.392 37 H LYS 6 H LYS 6 1.384 -3.970 -6.497 38 HA LYS 6 HA LYS 6 1.580 -6.457 -7.867 39 HB2 LYS 6 2HB LYS 6 -0.737 -4.790 -6.911 40 HB3 LYS 6 3HB LYS 6 -0.984 -6.279 -7.814 41 HG2 LYS 6 2HG LYS 6 0.236 -7.522 -6.100 42 HG3 LYS 6 3HG LYS 6 0.478 -6.028 -5.192 43 HD2 LYS 6 2HD LYS 6 -2.299 -6.320 -5.818 44 HD3 LYS 6 3HD LYS 6 -1.710 -7.805 -5.067 45 HE2 LYS 6 2HE LYS 6 -0.758 -6.449 -3.231 46 HE3 LYS 6 3HE LYS 6 -1.454 -5.007 -3.968 47 HZ1 LYS 6 1HZ LYS 6 -2.771 -7.179 -2.528 48 HZ2 LYS 6 2HZ LYS 6 -3.620 -6.482 -3.814 49 HZ3 LYS 6 3HZ LYS 6 -3.103 -5.520 -2.522 50 H VAL 7 H VAL 7 0.957 -3.196 -8.850 51 HA VAL 7 HA VAL 7 -0.273 -3.850 -11.356 52 HB VAL 7 HB VAL 7 1.044 -1.261 -10.524 53 HG11 VAL 7 1HG1 VAL 7 0.747 -1.429 -12.925 54 HG12 VAL 7 2HG1 VAL 7 -0.945 -1.880 -12.706 55 HG13 VAL 7 3HG1 VAL 7 -0.395 -0.266 -12.253 56 HG21 VAL 7 1HG2 VAL 7 -1.758 -1.035 -10.484 57 HG22 VAL 7 2HG2 VAL 7 -1.365 -2.514 -9.607 58 HG23 VAL 7 3HG2 VAL 7 -0.650 -0.979 -9.113 59 H ILE 8 H ILE 8 2.988 -3.008 -10.286 60 HA ILE 8 HA ILE 8 4.051 -3.092 -12.971 61 HB ILE 8 HB ILE 8 5.473 -2.903 -10.312 62 HG12 ILE 8 2HG1 ILE 8 5.453 -0.619 -12.177 63 HG13 ILE 8 3HG1 ILE 8 3.887 -1.015 -11.478 64 HG21 ILE 8 1HG2 ILE 8 6.524 -2.525 -13.113 65 HG22 ILE 8 2HG2 ILE 8 7.422 -2.209 -11.629 66 HG23 ILE 8 3HG2 ILE 8 6.917 -3.853 -12.022 67 HD11 ILE 8 1HD1 ILE 8 4.850 0.596 -10.068 68 HD12 ILE 8 2HD1 ILE 8 5.027 -0.944 -9.227 69 HD13 ILE 8 3HD1 ILE 8 6.408 -0.229 -10.058 70 H SER 9 H SER 9 3.868 -5.205 -10.182 71 HA SER 9 HA SER 9 5.757 -7.122 -11.101 72 HB2 SER 9 2HB SER 9 5.134 -6.960 -8.734 73 HB3 SER 9 3HB SER 9 3.481 -7.433 -9.127 74 HG SER 9 HG SER 9 5.554 -9.003 -8.615 75 H SER 10 H SER 10 2.674 -6.323 -12.155 76 HA SER 10 HA SER 10 2.210 -9.007 -13.267 77 HB2 SER 10 2HB SER 10 0.388 -7.949 -11.879 78 HB3 SER 10 3HB SER 10 0.234 -6.720 -13.134 79 HG SER 10 HG SER 10 -0.933 -8.081 -14.207 80 H ALA 11 H ALA 11 3.047 -5.778 -14.051 81 HA ALA 11 HA ALA 11 2.371 -6.085 -16.870 82 HB1 ALA 11 1HB ALA 11 2.891 -3.855 -15.086 83 HB2 ALA 11 2HB ALA 11 3.757 -3.710 -16.616 84 HB3 ALA 11 3HB ALA 11 2.004 -3.902 -16.609 85 H CYS 12 H CYS 12 5.245 -5.596 -14.838 86 HA CYS 12 HA CYS 12 7.164 -5.573 -16.855 87 HB2 CYS 12 2HB CYS 12 7.202 -6.271 -13.948 88 HB3 CYS 12 3HB CYS 12 8.623 -6.625 -14.923 89 HG CYS 12 HG CYS 12 7.277 -3.495 -14.918 90 H LYS 13 H LYS 13 5.477 -8.237 -15.352 91 HA LYS 13 HA LYS 13 7.179 -10.304 -16.308 92 HB2 LYS 13 2HB LYS 13 4.268 -10.435 -15.501 93 HB3 LYS 13 3HB LYS 13 5.340 -11.815 -15.700 94 HG2 LYS 13 2HG LYS 13 5.674 -9.616 -13.670 95 HG3 LYS 13 3HG LYS 13 5.035 -11.230 -13.351 96 HD2 LYS 13 2HD LYS 13 7.415 -11.769 -14.602 97 HD3 LYS 13 3HD LYS 13 7.799 -10.328 -13.659 98 HE2 LYS 13 2HE LYS 13 6.496 -11.675 -11.782 99 HE3 LYS 13 3HE LYS 13 7.019 -13.049 -12.755 100 HZ1 LYS 13 1HZ LYS 13 8.513 -11.550 -10.918 101 HZ2 LYS 13 2HZ LYS 13 9.199 -11.333 -12.448 102 HZ3 LYS 13 3HZ LYS 13 9.004 -12.892 -11.823 103 H THR 14 H THR 14 5.028 -8.262 -17.880 104 HA THR 14 HA THR 14 4.617 -10.183 -20.073 105 HB THR 14 HB THR 14 3.108 -7.642 -19.430 106 HG1 THR 14 HG1 THR 14 1.444 -9.054 -18.924 107 HG21 THR 14 1HG2 THR 14 2.500 -7.584 -21.574 108 HG22 THR 14 2HG2 THR 14 1.742 -9.162 -21.360 109 HG23 THR 14 3HG2 THR 14 3.412 -9.054 -21.914 110 H TYR 15 H TYR 15 5.734 -6.937 -19.280 111 HA TYR 15 HA TYR 15 6.442 -6.351 -22.023 112 HB2 TYR 15 2HB TYR 15 6.706 -4.865 -19.421 113 HB3 TYR 15 3HB TYR 15 7.513 -4.294 -20.877 114 HD1 TYR 15 HD1 TYR 15 4.128 -5.387 -19.727 115 HD2 TYR 15 HD2 TYR 15 6.390 -2.802 -22.237 116 HE1 TYR 15 HE1 TYR 15 2.055 -4.263 -20.426 117 HE2 TYR 15 HE2 TYR 15 4.323 -1.670 -22.943 118 HH TYR 15 HH TYR 15 1.257 -2.925 -22.382 119 H CYS 16 H CYS 16 8.177 -6.898 -18.967 120 HA CYS 16 HA CYS 16 10.749 -6.861 -20.233 121 HB2 CYS 16 2HB CYS 16 10.126 -7.974 -17.500 122 HB3 CYS 16 3HB CYS 16 11.649 -7.308 -18.077 123 HG CYS 16 HG CYS 16 10.952 -4.705 -17.961 124 H GLY 17 H GLY 17 8.647 -9.389 -18.884 125 HA2 GLY 17 2HA GLY 17 8.410 -11.538 -19.863 126 HA3 GLY 17 3HA GLY 17 9.968 -11.323 -20.648 127 H LYS 18 H LYS 18 11.482 -12.624 -19.890 128 HA LYS 18 HA LYS 18 11.221 -13.709 -17.190 129 HB2 LYS 18 2HB LYS 18 13.313 -14.507 -19.197 130 HB3 LYS 18 3HB LYS 18 12.664 -15.445 -17.858 131 HG2 LYS 18 2HG LYS 18 11.289 -16.420 -19.290 132 HG3 LYS 18 3HG LYS 18 10.475 -14.868 -19.500 133 HD2 LYS 18 2HD LYS 18 11.547 -14.417 -21.471 134 HD3 LYS 18 3HD LYS 18 12.976 -15.356 -21.034 135 HE2 LYS 18 2HE LYS 18 10.365 -16.738 -21.489 136 HE3 LYS 18 3HE LYS 18 11.339 -16.232 -22.868 137 HZ1 LYS 18 1HZ LYS 18 11.727 -18.555 -22.047 138 HZ2 LYS 18 2HZ LYS 18 12.424 -17.883 -20.660 139 HZ3 LYS 18 3HZ LYS 18 13.115 -17.595 -22.178 140 H THR 19 H THR 19 12.146 -10.935 -17.819 141 HA THR 19 HA THR 19 14.748 -11.089 -16.442 142 HB THR 19 HB THR 19 15.464 -10.237 -18.451 143 HG1 THR 19 HG1 THR 19 15.984 -8.645 -16.954 144 HG21 THR 19 1HG2 THR 19 12.832 -8.776 -18.698 145 HG22 THR 19 2HG2 THR 19 13.312 -10.228 -19.576 146 HG23 THR 19 3HG2 THR 19 14.146 -8.703 -19.871 147 H SER 20 H SER 20 11.583 -10.183 -16.186 148 HA SER 20 HA SER 20 11.458 -7.686 -15.091 149 HB2 SER 20 2HB SER 20 9.349 -8.468 -14.980 150 HB3 SER 20 3HB SER 20 9.894 -10.142 -14.862 151 HG SER 20 HG SER 20 8.929 -8.592 -12.937 152 HA PRO 21 HA PRO 21 13.704 -7.566 -11.325 153 HB2 PRO 21 2HB PRO 21 12.095 -6.060 -9.740 154 HB3 PRO 21 3HB PRO 21 13.010 -5.388 -11.095 155 HG2 PRO 21 2HG PRO 21 10.127 -6.183 -10.966 156 HG3 PRO 21 3HG PRO 21 10.859 -4.744 -11.700 157 HD2 PRO 21 2HD PRO 21 10.099 -6.897 -13.156 158 HD3 PRO 21 3HD PRO 21 11.483 -5.881 -13.605 159 H SER 22 H SER 22 13.097 -7.585 -8.758 160 HA SER 22 HA SER 22 11.476 -10.013 -8.350 161 HB2 SER 22 2HB SER 22 14.135 -9.973 -8.034 162 HB3 SER 22 3HB SER 22 13.669 -9.378 -6.440 163 HG SER 22 HG SER 22 12.999 -11.834 -7.668 164 H LYS 23 H LYS 23 10.452 -10.223 -6.267 165 HA LYS 23 HA LYS 23 8.984 -8.027 -5.471 166 HB2 LYS 23 2HB LYS 23 9.572 -10.688 -4.303 167 HB3 LYS 23 3HB LYS 23 8.918 -9.480 -3.205 168 HG2 LYS 23 2HG LYS 23 7.183 -9.166 -5.182 169 HG3 LYS 23 3HG LYS 23 7.651 -10.835 -5.515 170 HD2 LYS 23 2HD LYS 23 5.950 -11.231 -4.053 171 HD3 LYS 23 3HD LYS 23 7.270 -11.056 -2.894 172 HE2 LYS 23 2HE LYS 23 5.628 -9.689 -1.999 173 HE3 LYS 23 3HE LYS 23 6.622 -8.549 -2.906 174 HZ1 LYS 23 1HZ LYS 23 4.390 -8.060 -3.419 175 HZ2 LYS 23 2HZ LYS 23 3.998 -9.684 -3.683 176 HZ3 LYS 23 3HZ LYS 23 5.000 -8.868 -4.775 177 H LYS 24 H LYS 24 12.025 -9.246 -4.145 178 HA LYS 24 HA LYS 24 12.155 -7.413 -1.981 179 HB2 LYS 24 2HB LYS 24 13.428 -9.535 -2.061 180 HB3 LYS 24 3HB LYS 24 14.408 -8.880 -3.366 181 HG2 LYS 24 2HG LYS 24 14.251 -7.352 -0.823 182 HG3 LYS 24 3HG LYS 24 15.223 -8.825 -0.866 183 HD2 LYS 24 2HD LYS 24 16.303 -7.851 -2.961 184 HD3 LYS 24 3HD LYS 24 15.538 -6.326 -2.509 185 HE2 LYS 24 2HE LYS 24 17.317 -5.934 -1.229 186 HE3 LYS 24 3HE LYS 24 16.738 -7.219 -0.170 187 HZ1 LYS 24 1HZ LYS 24 19.073 -7.162 -1.717 188 HZ2 LYS 24 2HZ LYS 24 18.089 -8.404 -2.308 189 HZ3 LYS 24 3HZ LYS 24 18.534 -8.382 -0.676 190 H GLU 25 H GLU 25 13.350 -7.363 -5.296 191 HA GLU 25 HA GLU 25 14.922 -5.021 -5.041 192 HB2 GLU 25 2HB GLU 25 13.593 -6.031 -7.556 193 HB3 GLU 25 3HB GLU 25 15.022 -5.014 -7.441 194 HG2 GLU 25 2HG GLU 25 15.519 -7.383 -5.969 195 HG3 GLU 25 3HG GLU 25 14.856 -7.840 -7.537 196 H ILE 26 H ILE 26 11.637 -5.547 -6.304 197 HA ILE 26 HA ILE 26 11.043 -2.907 -6.957 198 HB ILE 26 HB ILE 26 9.139 -5.020 -5.940 199 HG12 ILE 26 2HG1 ILE 26 9.846 -4.259 -8.781 200 HG13 ILE 26 3HG1 ILE 26 10.484 -5.667 -7.940 201 HG21 ILE 26 1HG2 ILE 26 7.882 -3.300 -7.772 202 HG22 ILE 26 2HG2 ILE 26 7.570 -3.455 -6.044 203 HG23 ILE 26 3HG2 ILE 26 8.737 -2.269 -6.625 204 HD11 ILE 26 1HD1 ILE 26 8.081 -5.419 -9.412 205 HD12 ILE 26 2HD1 ILE 26 8.733 -6.839 -8.593 206 HD13 ILE 26 3HD1 ILE 26 7.663 -5.735 -7.728 207 H GLY 27 H GLY 27 10.962 -4.558 -3.863 208 HA2 GLY 27 2HA GLY 27 9.584 -2.418 -2.511 209 HA3 GLY 27 3HA GLY 27 10.326 -3.823 -1.759 210 H ALA 28 H ALA 28 12.867 -3.140 -3.290 211 HA ALA 28 HA ALA 28 13.904 -1.316 -1.264 212 HB1 ALA 28 1HB ALA 28 15.303 -3.144 -1.400 213 HB2 ALA 28 2HB ALA 28 15.143 -3.270 -3.153 214 HB3 ALA 28 3HB ALA 28 16.123 -1.985 -2.447 215 H MET 29 H MET 29 12.567 -1.006 -4.245 216 HA MET 29 HA MET 29 14.320 1.224 -5.023 217 HB2 MET 29 2HB MET 29 13.992 -0.550 -6.717 218 HB3 MET 29 3HB MET 29 12.262 -0.238 -6.686 219 HG2 MET 29 2HG MET 29 14.061 2.048 -7.245 220 HG3 MET 29 3HG MET 29 13.866 0.826 -8.500 221 HE1 MET 29 1HE MET 29 11.595 0.365 -9.802 222 HE2 MET 29 2HE MET 29 11.003 -0.193 -8.237 223 HE3 MET 29 3HE MET 29 10.035 0.926 -9.198 224 H LEU 30 H LEU 30 10.867 0.337 -4.954 225 HA LEU 30 HA LEU 30 9.790 2.843 -5.408 226 HB2 LEU 30 2HB LEU 30 8.865 0.363 -4.096 227 HB3 LEU 30 3HB LEU 30 7.958 1.829 -3.728 228 HG LEU 30 HG LEU 30 6.889 0.617 -5.524 229 HD11 LEU 30 1HD1 LEU 30 8.019 2.762 -7.152 230 HD12 LEU 30 2HD1 LEU 30 7.503 3.279 -5.547 231 HD13 LEU 30 3HD1 LEU 30 6.358 2.486 -6.628 232 HD21 LEU 30 1HD2 LEU 30 8.826 1.012 -7.609 233 HD22 LEU 30 2HD2 LEU 30 8.010 -0.468 -7.103 234 HD23 LEU 30 3HD2 LEU 30 9.509 0.028 -6.315 235 H SER 31 H SER 31 11.219 1.538 -2.515 236 HA SER 31 HA SER 31 10.227 3.647 -0.810 237 HB2 SER 31 2HB SER 31 11.825 2.603 0.863 238 HB3 SER 31 3HB SER 31 10.559 1.537 0.254 239 HG SER 31 HG SER 31 13.060 1.000 0.257 240 H LEU 32 H LEU 32 13.081 2.972 -2.688 241 HA LEU 32 HA LEU 32 14.805 4.858 -1.466 242 HB2 LEU 32 2HB LEU 32 15.113 2.901 -3.316 243 HB3 LEU 32 3HB LEU 32 15.177 4.336 -4.337 244 HG LEU 32 HG LEU 32 16.943 3.968 -1.927 245 HD11 LEU 32 1HD1 LEU 32 17.490 2.145 -3.339 246 HD12 LEU 32 2HD1 LEU 32 18.705 3.391 -3.626 247 HD13 LEU 32 3HD1 LEU 32 17.399 3.149 -4.786 248 HD21 LEU 32 1HD2 LEU 32 16.936 5.831 -4.290 249 HD22 LEU 32 2HD2 LEU 32 18.334 5.618 -3.236 250 HD23 LEU 32 3HD2 LEU 32 16.820 6.240 -2.578 251 H LEU 33 H LEU 33 12.955 5.018 -4.512 252 HA LEU 33 HA LEU 33 13.543 7.606 -5.247 253 HB2 LEU 33 2HB LEU 33 10.806 6.396 -5.533 254 HB3 LEU 33 3HB LEU 33 11.585 7.577 -6.585 255 HG LEU 33 HG LEU 33 12.262 4.651 -6.316 256 HD11 LEU 33 1HD1 LEU 33 10.356 4.896 -7.675 257 HD12 LEU 33 2HD1 LEU 33 11.715 4.742 -8.788 258 HD13 LEU 33 3HD1 LEU 33 11.009 6.327 -8.473 259 HD21 LEU 33 1HD2 LEU 33 13.965 5.033 -8.003 260 HD22 LEU 33 2HD2 LEU 33 14.295 6.005 -6.569 261 HD23 LEU 33 3HD2 LEU 33 13.604 6.759 -8.006 262 H GLN 34 H GLN 34 11.396 6.479 -2.743 263 HA GLN 34 HA GLN 34 10.030 8.955 -2.358 264 HB2 GLN 34 2HB GLN 34 10.301 6.443 -0.727 265 HB3 GLN 34 3HB GLN 34 9.472 7.857 -0.090 266 HG2 GLN 34 2HG GLN 34 7.904 7.789 -1.955 267 HG3 GLN 34 3HG GLN 34 8.741 6.382 -2.610 268 HE21 GLN 34 1HE2 GLN 34 6.065 7.235 -1.061 269 HE22 GLN 34 2HE2 GLN 34 5.773 5.823 -0.110 270 H LYS 35 H LYS 35 12.631 7.307 -0.569 271 HA LYS 35 HA LYS 35 13.057 9.358 1.308 272 HB2 LYS 35 2HB LYS 35 15.071 7.347 0.287 273 HB3 LYS 35 3HB LYS 35 15.162 8.241 1.799 274 HG2 LYS 35 2HG LYS 35 13.481 6.995 2.789 275 HG3 LYS 35 3HG LYS 35 12.832 6.455 1.240 276 HD2 LYS 35 2HD LYS 35 15.279 5.388 1.071 277 HD3 LYS 35 3HD LYS 35 15.101 5.402 2.827 278 HE2 LYS 35 2HE LYS 35 12.665 4.455 1.814 279 HE3 LYS 35 3HE LYS 35 13.921 3.642 0.880 280 HZ1 LYS 35 1HZ LYS 35 14.521 3.710 3.673 281 HZ2 LYS 35 2HZ LYS 35 14.466 2.390 2.616 282 HZ3 LYS 35 3HZ LYS 35 13.050 2.933 3.366 283 H GLU 36 H GLU 36 14.657 8.643 -1.781 284 HA GLU 36 HA GLU 36 16.599 10.630 -1.718 285 HB2 GLU 36 2HB GLU 36 15.433 8.877 -3.699 286 HB3 GLU 36 3HB GLU 36 15.761 10.460 -4.390 287 HG2 GLU 36 2HG GLU 36 18.028 9.795 -2.887 288 HG3 GLU 36 3HG GLU 36 17.576 8.335 -3.764 289 H GLY 37 H GLY 37 13.183 10.869 -2.226 290 HA2 GLY 37 2HA GLY 37 11.979 12.887 -1.984 291 HA3 GLY 37 3HA GLY 37 13.443 13.779 -2.372 292 H LEU 38 H LEU 38 12.372 11.078 -4.302 293 HA LEU 38 HA LEU 38 12.108 12.852 -6.592 294 HB2 LEU 38 2HB LEU 38 11.991 9.845 -6.405 295 HB3 LEU 38 3HB LEU 38 11.980 10.778 -7.900 296 HG LEU 38 HG LEU 38 14.268 10.792 -5.937 297 HD11 LEU 38 1HD1 LEU 38 14.837 8.783 -6.680 298 HD12 LEU 38 2HD1 LEU 38 15.000 9.468 -8.297 299 HD13 LEU 38 3HD1 LEU 38 13.468 8.757 -7.792 300 HD21 LEU 38 1HD2 LEU 38 13.709 12.056 -8.563 301 HD22 LEU 38 2HD2 LEU 38 15.348 11.475 -8.265 302 HD23 LEU 38 3HD2 LEU 38 14.623 12.664 -7.182 303 H LEU 39 H LEU 39 10.155 10.509 -4.790 304 HA LEU 39 HA LEU 39 7.749 11.823 -5.820 305 HB2 LEU 39 2HB LEU 39 6.751 9.420 -5.856 306 HB3 LEU 39 3HB LEU 39 7.670 10.022 -7.233 307 HG LEU 39 HG LEU 39 9.670 8.808 -6.251 308 HD11 LEU 39 1HD1 LEU 39 7.642 8.182 -4.259 309 HD12 LEU 39 2HD1 LEU 39 9.398 8.057 -4.170 310 HD13 LEU 39 3HD1 LEU 39 8.457 6.752 -4.893 311 HD21 LEU 39 1HD2 LEU 39 7.582 6.795 -6.876 312 HD22 LEU 39 2HD2 LEU 39 9.207 6.987 -7.535 313 HD23 LEU 39 3HD2 LEU 39 7.903 8.044 -8.079 314 H MET 40 H MET 40 5.864 11.517 -4.495 315 HA MET 40 HA MET 40 6.554 11.268 -1.686 316 HB2 MET 40 2HB MET 40 4.146 12.255 -3.185 317 HB3 MET 40 3HB MET 40 4.049 11.917 -1.462 318 HG2 MET 40 2HG MET 40 6.351 13.544 -2.132 319 HG3 MET 40 3HG MET 40 4.833 14.284 -2.634 320 HE1 MET 40 1HE MET 40 6.575 13.975 1.496 321 HE2 MET 40 2HE MET 40 7.123 13.110 0.060 322 HE3 MET 40 3HE MET 40 7.194 14.872 0.109 323 H SER 41 H SER 41 4.971 9.447 -4.156 324 HA SER 41 HA SER 41 4.485 7.298 -2.233 325 HB2 SER 41 2HB SER 41 2.268 7.691 -2.280 326 HB3 SER 41 3HB SER 41 2.416 8.811 -3.634 327 HG SER 41 HG SER 41 1.806 7.275 -4.923 328 HA PRO 42 HA PRO 42 6.063 4.639 -5.344 329 HB2 PRO 42 2HB PRO 42 4.565 2.399 -5.011 330 HB3 PRO 42 3HB PRO 42 5.805 2.906 -3.858 331 HG2 PRO 42 2HG PRO 42 2.838 3.280 -3.735 332 HG3 PRO 42 3HG PRO 42 3.959 2.800 -2.448 333 HD2 PRO 42 2HD PRO 42 3.017 5.326 -2.690 334 HD3 PRO 42 3HD PRO 42 4.635 4.968 -2.054 335 H SER 43 H SER 43 2.703 5.460 -5.377 336 HA SER 43 HA SER 43 2.101 4.187 -7.881 337 HB2 SER 43 2HB SER 43 -0.030 5.447 -7.733 338 HB3 SER 43 3HB SER 43 0.322 4.554 -6.253 339 HG SER 43 HG SER 43 -0.379 6.759 -5.927 340 H ASP 44 H ASP 44 3.869 6.879 -7.060 341 HA ASP 44 HA ASP 44 3.112 8.762 -9.008 342 HB2 ASP 44 2HB ASP 44 4.828 8.837 -6.953 343 HB3 ASP 44 3HB ASP 44 5.982 8.563 -8.256 344 H LEU 45 H LEU 45 4.636 5.745 -9.308 345 HA LEU 45 HA LEU 45 6.344 6.125 -11.483 346 HB2 LEU 45 2HB LEU 45 5.048 3.892 -10.151 347 HB3 LEU 45 3HB LEU 45 5.230 3.625 -11.884 348 HG LEU 45 HG LEU 45 7.461 4.253 -9.951 349 HD11 LEU 45 1HD1 LEU 45 6.406 1.981 -9.766 350 HD12 LEU 45 2HD1 LEU 45 8.122 1.985 -10.171 351 HD13 LEU 45 3HD1 LEU 45 6.921 1.687 -11.427 352 HD21 LEU 45 1HD2 LEU 45 8.547 4.926 -11.777 353 HD22 LEU 45 2HD2 LEU 45 7.274 4.340 -12.848 354 HD23 LEU 45 3HD2 LEU 45 8.530 3.237 -12.284 355 H TYR 46 H TYR 46 2.923 6.223 -11.307 356 HA TYR 46 HA TYR 46 2.527 5.718 -14.136 357 HB2 TYR 46 2HB TYR 46 0.482 6.723 -12.157 358 HB3 TYR 46 3HB TYR 46 0.188 5.916 -13.692 359 HD1 TYR 46 HD1 TYR 46 1.953 3.608 -13.590 360 HD2 TYR 46 HD2 TYR 46 -0.386 5.358 -10.497 361 HE1 TYR 46 HE1 TYR 46 1.867 1.437 -12.436 362 HE2 TYR 46 HE2 TYR 46 -0.478 3.193 -9.334 363 HH TYR 46 HH TYR 46 0.354 1.105 -9.259 364 H SER 47 H SER 47 3.910 8.167 -12.708 365 HA SER 47 HA SER 47 2.460 10.262 -14.180 366 HB2 SER 47 2HB SER 47 3.081 10.350 -11.593 367 HB3 SER 47 3HB SER 47 4.614 10.944 -12.231 368 HG SER 47 HG SER 47 2.032 12.055 -12.526 369 HA PRO 48 HA PRO 48 6.110 9.632 -16.846 370 HB2 PRO 48 2HB PRO 48 4.877 10.537 -19.089 371 HB3 PRO 48 3HB PRO 48 4.710 8.878 -18.504 372 HG2 PRO 48 2HG PRO 48 2.850 11.200 -18.172 373 HG3 PRO 48 3HG PRO 48 2.474 9.513 -18.567 374 HD2 PRO 48 2HD PRO 48 2.185 10.525 -16.072 375 HD3 PRO 48 3HD PRO 48 2.631 8.832 -16.371 376 H GLY 49 H GLY 49 7.228 11.336 -15.754 377 HA2 GLY 49 2HA GLY 49 7.717 13.611 -17.312 378 HA3 GLY 49 3HA GLY 49 6.610 14.071 -16.027 379 H SER 50 H SER 50 7.780 12.116 -14.154 380 HA SER 50 HA SER 50 10.042 13.762 -13.325 381 HB2 SER 50 2HB SER 50 8.194 11.859 -11.943 382 HB3 SER 50 3HB SER 50 9.785 12.154 -11.241 383 HG SER 50 HG SER 50 7.613 13.683 -11.105 384 H TRP 51 H TRP 51 9.632 11.093 -15.168 385 HA TRP 51 HA TRP 51 11.577 9.302 -14.164 386 HB2 TRP 51 2HB TRP 51 10.595 9.677 -17.002 387 HB3 TRP 51 3HB TRP 51 11.511 8.292 -16.413 388 HD1 TRP 51 HD1 TRP 51 9.702 8.238 -13.596 389 HE1 TRP 51 HE1 TRP 51 7.396 7.106 -13.745 390 HE3 TRP 51 HE3 TRP 51 9.025 8.444 -18.659 391 HZ2 TRP 51 HZ2 TRP 51 5.535 6.394 -15.745 392 HZ3 TRP 51 HZ3 TRP 51 6.955 7.514 -19.610 393 HH2 TRP 51 HH2 TRP 51 5.247 6.510 -18.182 394 H ASP 52 H ASP 52 11.813 12.282 -15.843 395 HA ASP 52 HA ASP 52 14.314 11.906 -17.113 396 HB2 ASP 52 2HB ASP 52 12.508 14.150 -16.546 397 HB3 ASP 52 3HB ASP 52 14.211 14.600 -16.586 398 HA PRO 53 HA PRO 53 16.257 14.075 -13.270 399 HB2 PRO 53 2HB PRO 53 14.650 14.527 -11.129 400 HB3 PRO 53 3HB PRO 53 14.842 15.688 -12.448 401 HG2 PRO 53 2HG PRO 53 12.648 13.708 -11.972 402 HG3 PRO 53 3HG PRO 53 12.535 15.398 -12.496 403 HD2 PRO 53 2HD PRO 53 12.342 13.322 -14.223 404 HD3 PRO 53 3HD PRO 53 13.046 14.886 -14.685 405 H ILE 54 H ILE 54 14.020 11.475 -13.072 406 HA ILE 54 HA ILE 54 15.223 10.347 -10.674 407 HB ILE 54 HB ILE 54 12.973 9.411 -12.448 408 HG12 ILE 54 2HG1 ILE 54 12.967 10.147 -9.518 409 HG13 ILE 54 3HG1 ILE 54 12.613 11.298 -10.803 410 HG21 ILE 54 1HG2 ILE 54 14.508 7.963 -10.363 411 HG22 ILE 54 2HG2 ILE 54 12.761 7.737 -10.405 412 HG23 ILE 54 3HG2 ILE 54 13.733 7.356 -11.826 413 HD11 ILE 54 1HD1 ILE 54 11.075 8.754 -10.672 414 HD12 ILE 54 2HD1 ILE 54 10.690 10.063 -9.554 415 HD13 ILE 54 3HD1 ILE 54 10.597 10.333 -11.294 416 H THR 55 H THR 55 14.911 9.563 -14.122 417 HA THR 55 HA THR 55 16.407 7.169 -14.029 418 HB THR 55 HB THR 55 15.891 9.047 -16.341 419 HG1 THR 55 HG1 THR 55 13.994 8.128 -16.216 420 HG21 THR 55 1HG2 THR 55 17.481 6.578 -16.130 421 HG22 THR 55 2HG2 THR 55 17.548 7.872 -17.326 422 HG23 THR 55 3HG2 THR 55 16.322 6.611 -17.458 423 H ALA 56 H ALA 56 17.304 10.537 -14.530 424 HA ALA 56 HA ALA 56 20.021 9.970 -15.231 425 HB1 ALA 56 1HB ALA 56 19.569 12.016 -16.054 426 HB2 ALA 56 2HB ALA 56 18.376 12.373 -14.804 427 HB3 ALA 56 3HB ALA 56 20.097 12.555 -14.459 428 H ALA 57 H ALA 57 18.302 10.751 -12.265 429 HA ALA 57 HA ALA 57 20.549 11.253 -10.638 430 HB1 ALA 57 1HB ALA 57 17.705 10.517 -10.112 431 HB2 ALA 57 2HB ALA 57 18.871 10.500 -8.788 432 HB3 ALA 57 3HB ALA 57 18.583 11.987 -9.691 433 H LEU 58 H LEU 58 18.550 8.309 -10.918 434 HA LEU 58 HA LEU 58 20.045 6.669 -9.257 435 HB2 LEU 58 2HB LEU 58 18.521 5.921 -11.748 436 HB3 LEU 58 3HB LEU 58 19.079 4.785 -10.522 437 HG LEU 58 HG LEU 58 17.030 6.964 -10.114 438 HD11 LEU 58 1HD1 LEU 58 16.632 4.648 -11.431 439 HD12 LEU 58 2HD1 LEU 58 15.401 5.449 -10.456 440 HD13 LEU 58 3HD1 LEU 58 16.340 4.122 -9.773 441 HD21 LEU 58 1HD2 LEU 58 17.363 6.720 -7.937 442 HD22 LEU 58 2HD2 LEU 58 18.672 5.581 -8.254 443 HD23 LEU 58 3HD2 LEU 58 17.017 4.996 -8.072 444 H SER 59 H SER 59 20.438 7.301 -12.719 445 HA SER 59 HA SER 59 22.519 5.449 -13.159 446 HB2 SER 59 2HB SER 59 21.055 6.755 -14.869 447 HB3 SER 59 3HB SER 59 22.281 8.013 -14.710 448 HG SER 59 HG SER 59 23.795 6.649 -15.525 449 H GLN 60 H GLN 60 22.470 8.698 -11.900 450 HA GLN 60 HA GLN 60 25.269 9.186 -12.179 451 HB2 GLN 60 2HB GLN 60 23.842 11.087 -12.022 452 HB3 GLN 60 3HB GLN 60 23.107 10.499 -10.537 453 HG2 GLN 60 2HG GLN 60 24.666 11.449 -9.277 454 HG3 GLN 60 3HG GLN 60 25.972 10.805 -10.272 455 HE21 GLN 60 1HE2 GLN 60 26.259 11.950 -12.400 456 HE22 GLN 60 2HE2 GLN 60 26.138 13.673 -12.381 457 H ARG 61 H ARG 61 23.194 8.200 -9.468 458 HA ARG 61 HA ARG 61 25.065 8.122 -7.444 459 HB2 ARG 61 2HB ARG 61 22.459 7.477 -7.602 460 HB3 ARG 61 3HB ARG 61 23.150 5.861 -7.546 461 HG2 ARG 61 2HG ARG 61 24.398 6.593 -5.483 462 HG3 ARG 61 3HG ARG 61 23.400 8.048 -5.502 463 HD2 ARG 61 2HD ARG 61 21.404 6.774 -5.230 464 HD3 ARG 61 3HD ARG 61 22.266 5.259 -5.495 465 HE ARG 61 HE ARG 61 22.887 5.274 -3.295 466 HH11 ARG 61 1HH1 ARG 61 21.811 8.462 -4.190 467 HH12 ARG 61 2HH1 ARG 61 21.868 9.078 -2.572 468 HH21 ARG 61 1HH2 ARG 61 22.966 6.073 -1.160 469 HH22 ARG 61 2HH2 ARG 61 22.526 7.718 -0.849 470 H ALA 62 H ALA 62 24.152 5.411 -9.576 471 HA ALA 62 HA ALA 62 26.083 3.610 -8.629 472 HB1 ALA 62 1HB ALA 62 25.517 2.235 -10.445 473 HB2 ALA 62 2HB ALA 62 24.042 3.128 -10.073 474 HB3 ALA 62 3HB ALA 62 25.040 3.608 -11.445 475 H MET 63 H MET 63 26.398 6.376 -10.604 476 HA MET 63 HA MET 63 28.897 5.486 -11.809 477 HB2 MET 63 2HB MET 63 27.030 7.758 -12.217 478 HB3 MET 63 3HB MET 63 28.726 8.053 -12.574 479 HG2 MET 63 2HG MET 63 28.499 5.808 -13.916 480 HG3 MET 63 3HG MET 63 26.790 6.241 -13.913 481 HE1 MET 63 1HE MET 63 27.508 9.770 -14.073 482 HE2 MET 63 2HE MET 63 26.728 9.666 -15.651 483 HE3 MET 63 3HE MET 63 26.108 8.721 -14.296 484 H ILE 64 H ILE 64 27.784 7.250 -9.089 485 HA ILE 64 HA ILE 64 30.360 8.568 -8.687 486 HB ILE 64 HB ILE 64 27.789 8.735 -7.111 487 HG12 ILE 64 2HG1 ILE 64 29.156 10.846 -8.787 488 HG13 ILE 64 3HG1 ILE 64 27.872 9.807 -9.397 489 HG21 ILE 64 1HG2 ILE 64 28.896 10.601 -5.916 490 HG22 ILE 64 2HG2 ILE 64 29.646 9.035 -5.610 491 HG23 ILE 64 3HG2 ILE 64 30.408 10.176 -6.719 492 HD11 ILE 64 1HD1 ILE 64 27.609 11.688 -7.063 493 HD12 ILE 64 2HD1 ILE 64 27.064 12.016 -8.708 494 HD13 ILE 64 3HD1 ILE 64 26.328 10.711 -7.779 495 H LEU 65 H LEU 65 28.208 6.271 -7.038 496 HA LEU 65 HA LEU 65 30.278 5.653 -5.090 497 HB2 LEU 65 2HB LEU 65 27.394 5.295 -5.305 498 HB3 LEU 65 3HB LEU 65 28.221 3.872 -4.674 499 HG LEU 65 HG LEU 65 27.443 5.239 -2.849 500 HD11 LEU 65 1HD1 LEU 65 30.276 5.950 -2.667 501 HD12 LEU 65 2HD1 LEU 65 29.973 4.271 -3.114 502 HD13 LEU 65 3HD1 LEU 65 29.290 4.924 -1.624 503 HD21 LEU 65 1HD2 LEU 65 27.325 7.379 -4.017 504 HD22 LEU 65 2HD2 LEU 65 29.086 7.457 -4.068 505 HD23 LEU 65 3HD2 LEU 65 28.244 7.523 -2.519 506 H GLY 66 H GLY 66 28.926 4.371 -8.010 507 HA2 GLY 66 2HA GLY 66 29.901 2.738 -9.367 508 HA3 GLY 66 3HA GLY 66 30.957 2.294 -8.034 509 H LYS 67 H LYS 67 27.468 2.536 -7.770 510 HA LYS 67 HA LYS 67 27.199 -0.371 -7.868 511 HB2 LYS 67 2HB LYS 67 25.870 -0.293 -5.720 512 HB3 LYS 67 3HB LYS 67 27.606 -0.068 -5.546 513 HG2 LYS 67 2HG LYS 67 27.387 2.027 -4.774 514 HG3 LYS 67 3HG LYS 67 26.062 2.408 -5.877 515 HD2 LYS 67 2HD LYS 67 24.472 1.767 -4.398 516 HD3 LYS 67 3HD LYS 67 25.457 0.457 -3.744 517 HE2 LYS 67 2HE LYS 67 26.865 2.255 -2.646 518 HE3 LYS 67 3HE LYS 67 25.594 3.391 -3.093 519 HZ1 LYS 67 1HZ LYS 67 25.321 2.569 -0.832 520 HZ2 LYS 67 2HZ LYS 67 25.222 0.979 -1.401 521 HZ3 LYS 67 3HZ LYS 67 24.021 2.098 -1.807 522 H SER 68 H SER 68 25.505 -0.859 -9.083 523 HA SER 68 HA SER 68 23.594 1.151 -9.834 524 HB2 SER 68 2HB SER 68 22.579 -0.752 -11.161 525 HB3 SER 68 3HB SER 68 24.260 -0.382 -11.545 526 HG SER 68 HG SER 68 24.072 -2.590 -11.312 527 H GLY 69 H GLY 69 22.905 -2.179 -8.793 528 HA2 GLY 69 2HA GLY 69 21.248 -3.028 -7.451 529 HA3 GLY 69 3HA GLY 69 21.503 -1.600 -6.458 530 H GLU 70 H GLU 70 20.044 0.050 -6.513 531 HA GLU 70 HA GLU 70 17.422 -0.441 -7.212 532 HB2 GLU 70 2HB GLU 70 16.961 1.794 -6.677 533 HB3 GLU 70 3HB GLU 70 18.389 1.413 -5.726 534 HG2 GLU 70 2HG GLU 70 19.555 2.373 -7.948 535 HG3 GLU 70 3HG GLU 70 18.048 3.288 -7.967 536 H LEU 71 H LEU 71 20.028 0.747 -9.183 537 HA LEU 71 HA LEU 71 18.536 1.880 -11.279 538 HB2 LEU 71 2HB LEU 71 21.292 0.953 -10.864 539 HB3 LEU 71 3HB LEU 71 20.744 0.921 -12.538 540 HG LEU 71 HG LEU 71 20.796 3.342 -10.737 541 HD11 LEU 71 1HD1 LEU 71 22.805 3.861 -11.568 542 HD12 LEU 71 2HD1 LEU 71 22.375 3.334 -13.194 543 HD13 LEU 71 3HD1 LEU 71 22.909 2.153 -11.998 544 HD21 LEU 71 1HD2 LEU 71 19.001 3.686 -12.195 545 HD22 LEU 71 2HD2 LEU 71 19.826 2.902 -13.543 546 HD23 LEU 71 3HD2 LEU 71 20.359 4.488 -12.984 547 H LYS 72 H LYS 72 19.814 -1.404 -10.836 548 HA LYS 72 HA LYS 72 18.974 -2.484 -13.267 549 HB2 LYS 72 2HB LYS 72 20.006 -3.463 -10.762 550 HB3 LYS 72 3HB LYS 72 18.720 -4.518 -11.333 551 HG2 LYS 72 2HG LYS 72 21.143 -3.705 -12.926 552 HG3 LYS 72 3HG LYS 72 20.927 -5.248 -12.096 553 HD2 LYS 72 2HD LYS 72 18.673 -4.659 -13.803 554 HD3 LYS 72 3HD LYS 72 20.186 -4.621 -14.712 555 HE2 LYS 72 2HE LYS 72 19.455 -6.851 -14.827 556 HE3 LYS 72 3HE LYS 72 20.723 -6.846 -13.603 557 HZ1 LYS 72 1HZ LYS 72 17.864 -6.589 -12.891 558 HZ2 LYS 72 2HZ LYS 72 19.160 -7.010 -11.890 559 HZ3 LYS 72 3HZ LYS 72 18.609 -8.098 -13.061 560 H THR 73 H THR 73 17.180 -1.656 -10.433 561 HA THR 73 HA THR 73 14.868 -3.242 -11.194 562 HB THR 73 HB THR 73 14.712 -1.169 -9.054 563 HG1 THR 73 HG1 THR 73 15.881 -2.421 -7.645 564 HG21 THR 73 1HG2 THR 73 13.761 -3.616 -8.151 565 HG22 THR 73 2HG2 THR 73 13.320 -3.584 -9.859 566 HG23 THR 73 3HG2 THR 73 12.795 -2.286 -8.787 567 H TRP 74 H TRP 74 15.973 0.074 -11.328 568 HA TRP 74 HA TRP 74 13.451 1.224 -11.986 569 HB2 TRP 74 2HB TRP 74 15.277 2.564 -11.041 570 HB3 TRP 74 3HB TRP 74 16.250 2.265 -12.478 571 HD1 TRP 74 HD1 TRP 74 16.235 4.237 -14.092 572 HE1 TRP 74 HE1 TRP 74 14.587 6.114 -14.713 573 HE3 TRP 74 HE3 TRP 74 12.349 2.951 -11.029 574 HZ2 TRP 74 HZ2 TRP 74 11.984 6.941 -13.998 575 HZ3 TRP 74 HZ3 TRP 74 10.316 4.337 -11.057 576 HH2 TRP 74 HH2 TRP 74 10.140 6.291 -12.511 577 H GLY 75 H GLY 75 16.267 0.227 -13.916 578 HA2 GLY 75 2HA GLY 75 15.317 1.035 -16.420 579 HA3 GLY 75 3HA GLY 75 16.473 -0.260 -16.148 580 H LEU 76 H LEU 76 14.292 -1.561 -14.418 581 HA LEU 76 HA LEU 76 12.964 -2.894 -16.668 582 HB2 LEU 76 2HB LEU 76 13.587 -3.723 -13.853 583 HB3 LEU 76 3HB LEU 76 12.405 -4.596 -14.827 584 HG LEU 76 HG LEU 76 15.309 -4.228 -15.559 585 HD11 LEU 76 1HD1 LEU 76 13.842 -6.435 -14.162 586 HD12 LEU 76 2HD1 LEU 76 15.362 -5.656 -13.722 587 HD13 LEU 76 3HD1 LEU 76 15.301 -6.753 -15.101 588 HD21 LEU 76 1HD2 LEU 76 14.528 -6.273 -17.040 589 HD22 LEU 76 2HD2 LEU 76 14.330 -4.607 -17.584 590 HD23 LEU 76 3HD2 LEU 76 12.962 -5.477 -16.887 591 H VAL 77 H VAL 77 12.242 -1.708 -13.388 592 HA VAL 77 HA VAL 77 9.456 -2.029 -13.537 593 HB VAL 77 HB VAL 77 11.091 -0.097 -11.890 594 HG11 VAL 77 1HG1 VAL 77 9.120 0.916 -11.533 595 HG12 VAL 77 2HG1 VAL 77 8.193 -0.443 -12.171 596 HG13 VAL 77 3HG1 VAL 77 8.779 -0.478 -10.508 597 HG21 VAL 77 1HG2 VAL 77 11.394 -2.608 -11.599 598 HG22 VAL 77 2HG2 VAL 77 10.988 -1.683 -10.154 599 HG23 VAL 77 3HG2 VAL 77 9.744 -2.624 -10.976 600 H LEU 78 H LEU 78 11.575 0.479 -14.703 601 HA LEU 78 HA LEU 78 9.359 2.273 -15.284 602 HB2 LEU 78 2HB LEU 78 11.493 3.159 -14.433 603 HB3 LEU 78 3HB LEU 78 12.301 2.557 -15.879 604 HG LEU 78 HG LEU 78 11.645 5.074 -15.683 605 HD11 LEU 78 1HD1 LEU 78 11.590 5.235 -18.045 606 HD12 LEU 78 2HD1 LEU 78 10.936 3.606 -18.211 607 HD13 LEU 78 3HD1 LEU 78 12.594 3.838 -17.658 608 HD21 LEU 78 1HD2 LEU 78 9.120 4.172 -16.982 609 HD22 LEU 78 2HD2 LEU 78 9.494 5.696 -16.177 610 HD23 LEU 78 3HD2 LEU 78 9.197 4.242 -15.222 611 H GLY 79 H GLY 79 11.628 0.164 -16.953 612 HA2 GLY 79 2HA GLY 79 11.145 0.967 -19.587 613 HA3 GLY 79 3HA GLY 79 11.655 -0.643 -19.101 614 H ALA 80 H ALA 80 9.503 -1.538 -17.669 615 HA ALA 80 HA ALA 80 7.760 -2.425 -19.668 616 HB1 ALA 80 1HB ALA 80 7.911 -3.804 -17.800 617 HB2 ALA 80 2HB ALA 80 7.636 -2.474 -16.674 618 HB3 ALA 80 3HB ALA 80 6.304 -3.091 -17.652 619 H LEU 81 H LEU 81 7.479 0.231 -17.363 620 HA LEU 81 HA LEU 81 4.773 0.857 -17.936 621 HB2 LEU 81 2HB LEU 81 6.977 2.587 -16.824 622 HB3 LEU 81 3HB LEU 81 5.265 3.003 -16.829 623 HG LEU 81 HG LEU 81 6.298 0.555 -15.424 624 HD11 LEU 81 1HD1 LEU 81 6.268 1.909 -13.354 625 HD12 LEU 81 2HD1 LEU 81 6.058 3.356 -14.339 626 HD13 LEU 81 3HD1 LEU 81 7.530 2.396 -14.486 627 HD21 LEU 81 1HD2 LEU 81 3.768 2.159 -15.410 628 HD22 LEU 81 2HD2 LEU 81 4.210 1.148 -14.034 629 HD23 LEU 81 3HD2 LEU 81 3.986 0.423 -15.626 630 H LYS 82 H LYS 82 7.798 2.476 -18.916 631 HA LYS 82 HA LYS 82 6.733 4.366 -20.619 632 HB2 LYS 82 2HB LYS 82 9.273 3.533 -19.933 633 HB3 LYS 82 3HB LYS 82 9.198 3.174 -21.653 634 HG2 LYS 82 2HG LYS 82 8.944 5.392 -22.240 635 HG3 LYS 82 3HG LYS 82 8.334 5.851 -20.648 636 HD2 LYS 82 2HD LYS 82 10.777 5.011 -19.948 637 HD3 LYS 82 3HD LYS 82 11.120 5.524 -21.602 638 HE2 LYS 82 2HE LYS 82 9.532 7.543 -20.470 639 HE3 LYS 82 3HE LYS 82 10.721 7.114 -19.241 640 HZ1 LYS 82 1HZ LYS 82 12.484 7.564 -20.741 641 HZ2 LYS 82 2HZ LYS 82 11.435 8.889 -20.810 642 HZ3 LYS 82 3HZ LYS 82 11.429 7.741 -22.052 643 H ALA 83 H ALA 83 7.871 1.104 -21.493 644 HA ALA 83 HA ALA 83 7.233 1.182 -24.198 645 HB1 ALA 83 1HB ALA 83 7.017 -1.353 -23.935 646 HB2 ALA 83 2HB ALA 83 8.557 -0.613 -23.494 647 HB3 ALA 83 3HB ALA 83 7.412 -1.082 -22.237 648 H ALA 84 H ALA 84 5.178 0.822 -21.428 649 HA ALA 84 HA ALA 84 2.926 -0.214 -22.892 650 HB1 ALA 84 1HB ALA 84 2.815 1.049 -20.169 651 HB2 ALA 84 2HB ALA 84 1.758 -0.185 -20.855 652 HB3 ALA 84 3HB ALA 84 3.419 -0.589 -20.423 653 H ARG 85 H ARG 85 4.222 2.899 -22.152 654 HA ARG 85 HA ARG 85 1.736 4.292 -22.710 655 HB2 ARG 85 2HB ARG 85 4.452 5.552 -22.379 656 HB3 ARG 85 3HB ARG 85 2.875 6.283 -22.117 657 HG2 ARG 85 2HG ARG 85 2.854 4.194 -20.349 658 HG3 ARG 85 3HG ARG 85 4.539 4.716 -20.312 659 HD2 ARG 85 2HD ARG 85 3.232 5.894 -18.630 660 HD3 ARG 85 3HD ARG 85 3.816 7.010 -19.864 661 HE ARG 85 HE ARG 85 1.647 7.445 -20.448 662 HH11 ARG 85 1HH1 ARG 85 1.751 4.548 -18.519 663 HH12 ARG 85 2HH1 ARG 85 0.029 4.425 -18.377 664 HH21 ARG 85 1HH2 ARG 85 -0.622 7.293 -20.268 665 HH22 ARG 85 2HH2 ARG 85 -1.320 5.986 -19.373 666 H GLU 86 H GLU 86 4.638 3.342 -24.350 667 HA GLU 86 HA GLU 86 4.062 5.087 -26.623 668 HB2 GLU 86 2HB GLU 86 6.370 5.041 -26.018 669 HB3 GLU 86 3HB GLU 86 6.388 3.284 -25.963 670 HG2 GLU 86 2HG GLU 86 7.510 4.067 -27.946 671 HG3 GLU 86 3HG GLU 86 6.033 3.211 -28.384 672 H GLU 87 H GLU 87 4.182 1.678 -25.744 673 HA GLU 87 HA GLU 87 3.636 -0.221 -26.910 674 HB2 GLU 87 2HB GLU 87 1.366 -0.281 -27.582 675 HB3 GLU 87 3HB GLU 87 1.447 0.878 -26.262 676 HG2 GLU 87 2HG GLU 87 1.288 2.717 -27.754 677 HG3 GLU 87 3HG GLU 87 1.508 1.675 -29.158 Start of MODEL 20 1 H1 SER 1 H SER 1 2.010 -0.730 0.931 2 HA SER 1 HA SER 1 2.094 0.478 -1.757 3 HB2 SER 1 2HB SER 1 4.562 0.170 -1.683 4 HB3 SER 1 3HB SER 1 3.977 1.285 -0.447 5 HG SER 1 HG SER 1 4.667 -0.031 1.038 6 H GLU 2 H GLU 2 0.679 -1.907 -0.994 7 HA GLU 2 HA GLU 2 2.268 -4.147 -1.900 8 HB2 GLU 2 2HB GLU 2 -0.558 -3.807 -0.949 9 HB3 GLU 2 3HB GLU 2 -0.068 -5.289 -1.760 10 HG2 GLU 2 2HG GLU 2 1.253 -5.968 -0.035 11 HG3 GLU 2 3HG GLU 2 1.602 -4.322 0.492 12 H ALA 3 H ALA 3 -0.621 -2.417 -3.057 13 HA ALA 3 HA ALA 3 -0.974 -3.796 -5.447 14 HB1 ALA 3 1HB ALA 3 -2.484 -2.049 -4.336 15 HB2 ALA 3 2HB ALA 3 -1.517 -0.857 -5.205 16 HB3 ALA 3 3HB ALA 3 -2.418 -2.082 -6.098 17 H VAL 4 H VAL 4 1.154 -1.099 -4.673 18 HA VAL 4 HA VAL 4 1.939 -0.427 -7.281 19 HB VAL 4 HB VAL 4 3.579 -0.221 -4.752 20 HG11 VAL 4 1HG1 VAL 4 4.682 1.654 -5.989 21 HG12 VAL 4 2HG1 VAL 4 5.001 0.049 -6.651 22 HG13 VAL 4 3HG1 VAL 4 3.837 1.115 -7.440 23 HG21 VAL 4 1HG2 VAL 4 2.748 2.164 -4.809 24 HG22 VAL 4 2HG2 VAL 4 1.562 1.631 -6.000 25 HG23 VAL 4 3HG2 VAL 4 1.551 0.943 -4.376 26 H ILE 5 H ILE 5 2.633 -3.176 -5.384 27 HA ILE 5 HA ILE 5 5.059 -3.828 -6.870 28 HB ILE 5 HB ILE 5 3.672 -5.342 -4.655 29 HG12 ILE 5 2HG1 ILE 5 6.209 -3.693 -4.609 30 HG13 ILE 5 3HG1 ILE 5 4.654 -3.169 -3.970 31 HG21 ILE 5 1HG2 ILE 5 4.905 -7.076 -5.298 32 HG22 ILE 5 2HG2 ILE 5 5.749 -6.104 -6.502 33 HG23 ILE 5 3HG2 ILE 5 6.332 -6.147 -4.839 34 HD11 ILE 5 1HD1 ILE 5 4.948 -4.286 -2.071 35 HD12 ILE 5 2HD1 ILE 5 5.516 -5.733 -2.905 36 HD13 ILE 5 3HD1 ILE 5 6.638 -4.417 -2.558 37 H LYS 6 H LYS 6 1.741 -4.951 -6.451 38 HA LYS 6 HA LYS 6 2.042 -7.217 -8.175 39 HB2 LYS 6 2HB LYS 6 -0.215 -7.648 -7.775 40 HB3 LYS 6 3HB LYS 6 0.301 -6.838 -6.301 41 HG2 LYS 6 2HG LYS 6 -0.624 -4.726 -7.172 42 HG3 LYS 6 3HG LYS 6 -1.201 -5.594 -8.596 43 HD2 LYS 6 2HD LYS 6 -2.991 -5.318 -6.965 44 HD3 LYS 6 3HD LYS 6 -2.580 -7.024 -7.159 45 HE2 LYS 6 2HE LYS 6 -0.974 -5.845 -5.090 46 HE3 LYS 6 3HE LYS 6 -2.682 -5.536 -4.780 47 HZ1 LYS 6 1HZ LYS 6 -2.653 -7.573 -3.897 48 HZ2 LYS 6 2HZ LYS 6 -1.213 -8.013 -4.667 49 HZ3 LYS 6 3HZ LYS 6 -2.684 -8.132 -5.494 50 H VAL 7 H VAL 7 1.021 -3.886 -8.560 51 HA VAL 7 HA VAL 7 -0.073 -4.181 -11.170 52 HB VAL 7 HB VAL 7 0.981 -1.723 -9.765 53 HG11 VAL 7 1HG1 VAL 7 -0.559 -2.021 -12.336 54 HG12 VAL 7 2HG1 VAL 7 -0.411 -0.500 -11.453 55 HG13 VAL 7 3HG1 VAL 7 1.027 -1.285 -12.108 56 HG21 VAL 7 1HG2 VAL 7 -1.172 -1.315 -9.023 57 HG22 VAL 7 2HG2 VAL 7 -1.903 -2.358 -10.244 58 HG23 VAL 7 3HG2 VAL 7 -1.054 -3.069 -8.871 59 H ILE 8 H ILE 8 3.137 -3.736 -9.923 60 HA ILE 8 HA ILE 8 4.203 -3.122 -12.574 61 HB ILE 8 HB ILE 8 5.603 -3.299 -9.904 62 HG12 ILE 8 2HG1 ILE 8 4.961 -0.868 -11.583 63 HG13 ILE 8 3HG1 ILE 8 3.994 -1.397 -10.210 64 HG21 ILE 8 1HG2 ILE 8 7.509 -2.274 -11.070 65 HG22 ILE 8 2HG2 ILE 8 7.114 -3.867 -11.712 66 HG23 ILE 8 3HG2 ILE 8 6.637 -2.417 -12.595 67 HD11 ILE 8 1HD1 ILE 8 5.365 0.290 -9.370 68 HD12 ILE 8 2HD1 ILE 8 6.140 -1.208 -8.852 69 HD13 ILE 8 3HD1 ILE 8 6.783 -0.311 -10.227 70 H SER 9 H SER 9 4.023 -5.707 -10.246 71 HA SER 9 HA SER 9 6.024 -7.328 -11.544 72 HB2 SER 9 2HB SER 9 5.526 -8.985 -9.886 73 HB3 SER 9 3HB SER 9 5.495 -7.420 -9.073 74 HG SER 9 HG SER 9 3.570 -9.234 -9.196 75 H SER 10 H SER 10 2.952 -6.486 -12.358 76 HA SER 10 HA SER 10 2.349 -9.082 -13.600 77 HB2 SER 10 2HB SER 10 0.518 -8.335 -12.247 78 HB3 SER 10 3HB SER 10 0.582 -6.718 -12.946 79 HG SER 10 HG SER 10 -1.016 -7.678 -14.050 80 H ALA 11 H ALA 11 2.676 -5.630 -14.250 81 HA ALA 11 HA ALA 11 2.109 -5.851 -17.044 82 HB1 ALA 11 1HB ALA 11 2.910 -3.717 -15.183 83 HB2 ALA 11 2HB ALA 11 3.435 -3.506 -16.854 84 HB3 ALA 11 3HB ALA 11 1.722 -3.704 -16.486 85 H CYS 12 H CYS 12 5.073 -5.592 -15.115 86 HA CYS 12 HA CYS 12 6.938 -5.380 -17.146 87 HB2 CYS 12 2HB CYS 12 7.008 -6.537 -14.390 88 HB3 CYS 12 3HB CYS 12 8.391 -6.785 -15.450 89 HG CYS 12 HG CYS 12 7.154 -3.674 -14.764 90 H LYS 13 H LYS 13 5.347 -8.258 -15.873 91 HA LYS 13 HA LYS 13 6.866 -10.202 -17.188 92 HB2 LYS 13 2HB LYS 13 3.909 -10.359 -16.592 93 HB3 LYS 13 3HB LYS 13 5.020 -11.706 -16.794 94 HG2 LYS 13 2HG LYS 13 5.136 -9.675 -14.574 95 HG3 LYS 13 3HG LYS 13 4.460 -11.301 -14.445 96 HD2 LYS 13 2HD LYS 13 7.151 -11.301 -15.545 97 HD3 LYS 13 3HD LYS 13 7.080 -10.566 -13.942 98 HE2 LYS 13 2HE LYS 13 5.733 -13.184 -14.498 99 HE3 LYS 13 3HE LYS 13 7.456 -13.115 -14.133 100 HZ1 LYS 13 1HZ LYS 13 5.891 -13.484 -12.200 101 HZ2 LYS 13 2HZ LYS 13 5.430 -11.866 -12.375 102 HZ3 LYS 13 3HZ LYS 13 7.037 -12.253 -12.013 103 H THR 14 H THR 14 4.590 -7.949 -18.409 104 HA THR 14 HA THR 14 4.246 -9.457 -20.899 105 HB THR 14 HB THR 14 2.855 -6.999 -19.833 106 HG1 THR 14 HG1 THR 14 1.032 -8.471 -20.051 107 HG21 THR 14 1HG2 THR 14 2.554 -6.394 -21.972 108 HG22 THR 14 2HG2 THR 14 1.468 -7.780 -22.077 109 HG23 THR 14 3HG2 THR 14 3.150 -7.938 -22.581 110 H TYR 15 H TYR 15 5.435 -6.357 -19.676 111 HA TYR 15 HA TYR 15 6.283 -5.478 -22.288 112 HB2 TYR 15 2HB TYR 15 6.698 -4.347 -19.518 113 HB3 TYR 15 3HB TYR 15 7.323 -3.588 -20.979 114 HD1 TYR 15 HD1 TYR 15 5.675 -2.834 -22.746 115 HD2 TYR 15 HD2 TYR 15 4.470 -4.008 -18.838 116 HE1 TYR 15 HE1 TYR 15 3.532 -1.669 -23.064 117 HE2 TYR 15 HE2 TYR 15 2.323 -2.848 -19.146 118 HH TYR 15 HH TYR 15 0.942 -1.913 -20.705 119 H CYS 16 H CYS 16 8.142 -5.841 -19.269 120 HA CYS 16 HA CYS 16 10.657 -5.916 -20.387 121 HB2 CYS 16 2HB CYS 16 9.653 -7.356 -17.925 122 HB3 CYS 16 3HB CYS 16 11.353 -7.154 -18.333 123 HG CYS 16 HG CYS 16 9.337 -4.431 -17.982 124 H GLY 17 H GLY 17 8.511 -8.668 -19.701 125 HA2 GLY 17 2HA GLY 17 8.359 -10.703 -20.787 126 HA3 GLY 17 3HA GLY 17 9.567 -10.136 -21.931 127 H LYS 18 H LYS 18 8.954 -12.056 -19.174 128 HA LYS 18 HA LYS 18 10.290 -13.294 -17.782 129 HB2 LYS 18 2HB LYS 18 11.808 -14.760 -18.954 130 HB3 LYS 18 3HB LYS 18 10.372 -14.519 -19.940 131 HG2 LYS 18 2HG LYS 18 11.501 -13.158 -21.464 132 HG3 LYS 18 3HG LYS 18 12.840 -12.870 -20.351 133 HD2 LYS 18 2HD LYS 18 13.934 -14.658 -21.104 134 HD3 LYS 18 3HD LYS 18 12.523 -15.690 -20.862 135 HE2 LYS 18 2HE LYS 18 11.733 -14.392 -23.062 136 HE3 LYS 18 3HE LYS 18 13.477 -14.301 -23.298 137 HZ1 LYS 18 1HZ LYS 18 13.375 -16.816 -22.770 138 HZ2 LYS 18 2HZ LYS 18 12.946 -16.277 -24.315 139 HZ3 LYS 18 3HZ LYS 18 11.743 -16.675 -23.194 140 H THR 19 H THR 19 10.940 -10.518 -17.750 141 HA THR 19 HA THR 19 13.677 -10.719 -16.775 142 HB THR 19 HB THR 19 14.011 -8.352 -17.925 143 HG1 THR 19 HG1 THR 19 12.640 -9.592 -20.031 144 HG21 THR 19 1HG2 THR 19 14.777 -11.040 -18.529 145 HG22 THR 19 2HG2 THR 19 15.671 -9.545 -18.808 146 HG23 THR 19 3HG2 THR 19 14.559 -10.150 -20.036 147 H SER 20 H SER 20 10.767 -10.163 -15.905 148 HA SER 20 HA SER 20 10.673 -7.508 -14.934 149 HB2 SER 20 2HB SER 20 8.665 -8.096 -13.951 150 HB3 SER 20 3HB SER 20 8.793 -9.350 -15.185 151 HG SER 20 HG SER 20 9.446 -10.794 -13.648 152 HA PRO 21 HA PRO 21 13.191 -7.590 -11.342 153 HB2 PRO 21 2HB PRO 21 11.816 -5.933 -9.689 154 HB3 PRO 21 3HB PRO 21 12.713 -5.356 -11.099 155 HG2 PRO 21 2HG PRO 21 9.780 -5.882 -10.803 156 HG3 PRO 21 3HG PRO 21 10.599 -4.522 -11.593 157 HD2 PRO 21 2HD PRO 21 9.566 -6.605 -12.981 158 HD3 PRO 21 3HD PRO 21 11.011 -5.723 -13.516 159 H SER 22 H SER 22 13.021 -7.830 -8.867 160 HA SER 22 HA SER 22 11.346 -10.159 -8.349 161 HB2 SER 22 2HB SER 22 13.828 -10.103 -7.819 162 HB3 SER 22 3HB SER 22 13.441 -8.971 -6.524 163 HG SER 22 HG SER 22 12.731 -11.684 -6.787 164 H LYS 23 H LYS 23 9.768 -10.265 -6.819 165 HA LYS 23 HA LYS 23 8.276 -8.041 -6.173 166 HB2 LYS 23 2HB LYS 23 7.008 -9.425 -4.740 167 HB3 LYS 23 3HB LYS 23 7.617 -10.493 -5.998 168 HG2 LYS 23 2HG LYS 23 9.574 -10.794 -4.205 169 HG3 LYS 23 3HG LYS 23 8.243 -10.403 -3.113 170 HD2 LYS 23 2HD LYS 23 6.955 -12.185 -4.540 171 HD3 LYS 23 3HD LYS 23 8.582 -12.741 -4.939 172 HE2 LYS 23 2HE LYS 23 9.083 -13.217 -2.691 173 HE3 LYS 23 3HE LYS 23 7.708 -12.285 -2.101 174 HZ1 LYS 23 1HZ LYS 23 6.790 -14.317 -3.819 175 HZ2 LYS 23 2HZ LYS 23 6.463 -14.097 -2.174 176 HZ3 LYS 23 3HZ LYS 23 7.806 -15.007 -2.655 177 H LYS 24 H LYS 24 11.046 -9.375 -4.527 178 HA LYS 24 HA LYS 24 10.684 -7.700 -2.188 179 HB2 LYS 24 2HB LYS 24 11.617 -9.906 -1.853 180 HB3 LYS 24 3HB LYS 24 12.902 -9.582 -3.009 181 HG2 LYS 24 2HG LYS 24 13.834 -9.401 -0.836 182 HG3 LYS 24 3HG LYS 24 13.700 -7.766 -1.487 183 HD2 LYS 24 2HD LYS 24 12.039 -7.174 -0.027 184 HD3 LYS 24 3HD LYS 24 11.435 -8.825 0.124 185 HE2 LYS 24 2HE LYS 24 14.082 -7.931 1.244 186 HE3 LYS 24 3HE LYS 24 12.580 -7.870 2.164 187 HZ1 LYS 24 1HZ LYS 24 13.045 -9.951 2.741 188 HZ2 LYS 24 2HZ LYS 24 14.256 -10.110 1.571 189 HZ3 LYS 24 3HZ LYS 24 12.641 -10.403 1.162 190 H GLU 25 H GLU 25 12.582 -7.748 -5.131 191 HA GLU 25 HA GLU 25 14.396 -5.689 -4.375 192 HB2 GLU 25 2HB GLU 25 13.602 -6.894 -7.016 193 HB3 GLU 25 3HB GLU 25 14.713 -5.534 -6.926 194 HG2 GLU 25 2HG GLU 25 15.374 -7.778 -5.159 195 HG3 GLU 25 3HG GLU 25 15.446 -8.140 -6.883 196 H ILE 26 H ILE 26 11.311 -5.744 -6.088 197 HA ILE 26 HA ILE 26 11.239 -3.117 -6.998 198 HB ILE 26 HB ILE 26 8.937 -4.817 -6.032 199 HG12 ILE 26 2HG1 ILE 26 9.744 -4.304 -8.886 200 HG13 ILE 26 3HG1 ILE 26 10.457 -5.619 -7.959 201 HG21 ILE 26 1HG2 ILE 26 7.540 -3.343 -7.431 202 HG22 ILE 26 2HG2 ILE 26 8.289 -2.490 -6.082 203 HG23 ILE 26 3HG2 ILE 26 8.944 -2.313 -7.710 204 HD11 ILE 26 1HD1 ILE 26 8.231 -5.831 -9.475 205 HD12 ILE 26 2HD1 ILE 26 8.619 -6.884 -8.114 206 HD13 ILE 26 3HD1 ILE 26 7.531 -5.515 -7.888 207 H GLY 27 H GLY 27 10.847 -4.387 -3.792 208 HA2 GLY 27 2HA GLY 27 9.642 -1.968 -2.748 209 HA3 GLY 27 3HA GLY 27 10.128 -3.379 -1.820 210 H ALA 28 H ALA 28 12.797 -3.021 -3.425 211 HA ALA 28 HA ALA 28 14.018 -1.338 -1.377 212 HB1 ALA 28 1HB ALA 28 16.107 -2.253 -2.831 213 HB2 ALA 28 2HB ALA 28 15.399 -3.111 -1.462 214 HB3 ALA 28 3HB ALA 28 14.925 -3.534 -3.107 215 H MET 29 H MET 29 12.718 -0.867 -4.355 216 HA MET 29 HA MET 29 14.660 1.229 -5.065 217 HB2 MET 29 2HB MET 29 14.382 -0.447 -6.815 218 HB3 MET 29 3HB MET 29 12.641 -0.197 -6.805 219 HG2 MET 29 2HG MET 29 14.343 2.170 -7.303 220 HG3 MET 29 3HG MET 29 14.256 0.951 -8.573 221 HE1 MET 29 1HE MET 29 11.811 -0.285 -8.619 222 HE2 MET 29 2HE MET 29 10.383 0.666 -9.027 223 HE3 MET 29 3HE MET 29 11.763 0.631 -10.126 224 H LEU 30 H LEU 30 11.168 0.526 -5.072 225 HA LEU 30 HA LEU 30 10.215 3.059 -5.624 226 HB2 LEU 30 2HB LEU 30 9.162 0.688 -4.200 227 HB3 LEU 30 3HB LEU 30 8.317 2.212 -3.940 228 HG LEU 30 HG LEU 30 7.228 0.940 -5.683 229 HD11 LEU 30 1HD1 LEU 30 6.799 2.763 -6.901 230 HD12 LEU 30 2HD1 LEU 30 8.478 2.931 -7.414 231 HD13 LEU 30 3HD1 LEU 30 7.966 3.569 -5.852 232 HD21 LEU 30 1HD2 LEU 30 9.978 0.865 -6.884 233 HD22 LEU 30 2HD2 LEU 30 8.530 0.648 -7.868 234 HD23 LEU 30 3HD2 LEU 30 8.878 -0.473 -6.550 235 H SER 31 H SER 31 11.567 1.805 -2.673 236 HA SER 31 HA SER 31 10.666 4.029 -1.063 237 HB2 SER 31 2HB SER 31 12.308 2.946 0.621 238 HB3 SER 31 3HB SER 31 10.858 2.046 0.178 239 HG SER 31 HG SER 31 12.749 0.750 0.097 240 H LEU 32 H LEU 32 13.518 3.105 -2.848 241 HA LEU 32 HA LEU 32 15.329 4.939 -1.693 242 HB2 LEU 32 2HB LEU 32 15.900 2.960 -3.126 243 HB3 LEU 32 3HB LEU 32 15.370 3.900 -4.519 244 HG LEU 32 HG LEU 32 17.873 3.773 -4.071 245 HD11 LEU 32 1HD1 LEU 32 18.078 5.637 -5.292 246 HD12 LEU 32 2HD1 LEU 32 17.250 6.631 -4.094 247 HD13 LEU 32 3HD1 LEU 32 16.316 5.675 -5.245 248 HD21 LEU 32 1HD2 LEU 32 17.251 4.413 -1.540 249 HD22 LEU 32 2HD2 LEU 32 17.580 6.023 -2.182 250 HD23 LEU 32 3HD2 LEU 32 18.815 4.767 -2.274 251 H LEU 33 H LEU 33 13.330 5.129 -4.629 252 HA LEU 33 HA LEU 33 14.115 7.633 -5.519 253 HB2 LEU 33 2HB LEU 33 11.305 6.560 -5.652 254 HB3 LEU 33 3HB LEU 33 12.062 7.717 -6.745 255 HG LEU 33 HG LEU 33 12.833 4.811 -6.484 256 HD11 LEU 33 1HD1 LEU 33 11.858 4.755 -8.837 257 HD12 LEU 33 2HD1 LEU 33 11.068 6.275 -8.420 258 HD13 LEU 33 3HD1 LEU 33 10.718 4.817 -7.492 259 HD21 LEU 33 1HD2 LEU 33 13.646 6.796 -8.596 260 HD22 LEU 33 2HD2 LEU 33 14.269 5.166 -8.336 261 HD23 LEU 33 3HD2 LEU 33 14.625 6.443 -7.172 262 H GLN 34 H GLN 34 12.013 6.763 -2.883 263 HA GLN 34 HA GLN 34 10.777 9.295 -2.545 264 HB2 GLN 34 2HB GLN 34 11.205 7.006 -0.622 265 HB3 GLN 34 3HB GLN 34 10.246 8.432 -0.248 266 HG2 GLN 34 2HG GLN 34 8.752 7.903 -2.118 267 HG3 GLN 34 3HG GLN 34 9.701 6.455 -2.451 268 HE21 GLN 34 1HE2 GLN 34 7.133 7.769 -0.717 269 HE22 GLN 34 2HE2 GLN 34 6.817 6.426 0.323 270 H LYS 35 H LYS 35 13.372 7.710 -0.677 271 HA LYS 35 HA LYS 35 14.019 9.988 0.851 272 HB2 LYS 35 2HB LYS 35 15.783 7.635 0.142 273 HB3 LYS 35 3HB LYS 35 16.061 8.775 1.453 274 HG2 LYS 35 2HG LYS 35 14.759 7.621 2.823 275 HG3 LYS 35 3HG LYS 35 13.433 7.623 1.657 276 HD2 LYS 35 2HD LYS 35 13.823 5.375 1.793 277 HD3 LYS 35 3HD LYS 35 14.935 5.788 0.486 278 HE2 LYS 35 2HE LYS 35 16.802 5.691 1.892 279 HE3 LYS 35 3HE LYS 35 15.821 5.806 3.352 280 HZ1 LYS 35 1HZ LYS 35 15.171 3.513 1.768 281 HZ2 LYS 35 2HZ LYS 35 15.558 3.612 3.411 282 HZ3 LYS 35 3HZ LYS 35 16.791 3.512 2.257 283 H GLU 36 H GLU 36 15.171 8.803 -2.251 284 HA GLU 36 HA GLU 36 17.417 10.453 -2.535 285 HB2 GLU 36 2HB GLU 36 16.418 8.474 -4.012 286 HB3 GLU 36 3HB GLU 36 15.771 9.823 -4.935 287 HG2 GLU 36 2HG GLU 36 18.680 9.545 -4.238 288 HG3 GLU 36 3HG GLU 36 17.970 8.917 -5.724 289 H GLY 37 H GLY 37 14.075 11.194 -2.603 290 HA2 GLY 37 2HA GLY 37 13.203 13.376 -2.517 291 HA3 GLY 37 3HA GLY 37 14.710 13.981 -3.189 292 H LEU 38 H LEU 38 13.159 11.273 -4.687 293 HA LEU 38 HA LEU 38 12.730 12.862 -7.084 294 HB2 LEU 38 2HB LEU 38 12.465 9.904 -6.571 295 HB3 LEU 38 3HB LEU 38 12.238 10.676 -8.139 296 HG LEU 38 HG LEU 38 14.817 10.609 -6.573 297 HD11 LEU 38 1HD1 LEU 38 14.920 8.523 -7.376 298 HD12 LEU 38 2HD1 LEU 38 15.247 9.300 -8.924 299 HD13 LEU 38 3HD1 LEU 38 13.607 8.793 -8.522 300 HD21 LEU 38 1HD2 LEU 38 13.926 12.051 -8.990 301 HD22 LEU 38 2HD2 LEU 38 15.510 11.280 -9.079 302 HD23 LEU 38 3HD2 LEU 38 15.174 12.463 -7.814 303 H LEU 39 H LEU 39 10.797 10.424 -5.331 304 HA LEU 39 HA LEU 39 8.397 11.994 -6.008 305 HB2 LEU 39 2HB LEU 39 7.245 9.688 -5.799 306 HB3 LEU 39 3HB LEU 39 8.105 10.099 -7.281 307 HG LEU 39 HG LEU 39 10.076 8.811 -6.294 308 HD11 LEU 39 1HD1 LEU 39 8.151 8.535 -4.165 309 HD12 LEU 39 2HD1 LEU 39 9.862 8.112 -4.198 310 HD13 LEU 39 3HD1 LEU 39 8.659 6.960 -4.774 311 HD21 LEU 39 1HD2 LEU 39 9.447 7.074 -7.568 312 HD22 LEU 39 2HD2 LEU 39 8.042 8.075 -7.937 313 HD23 LEU 39 3HD2 LEU 39 7.940 6.839 -6.683 314 H MET 40 H MET 40 6.519 11.462 -4.514 315 HA MET 40 HA MET 40 7.503 11.598 -1.768 316 HB2 MET 40 2HB MET 40 5.455 12.919 -3.182 317 HB3 MET 40 3HB MET 40 4.649 11.899 -1.998 318 HG2 MET 40 2HG MET 40 5.150 13.303 -0.368 319 HG3 MET 40 3HG MET 40 6.863 13.236 -0.774 320 HE1 MET 40 1HE MET 40 8.025 14.436 -2.238 321 HE2 MET 40 2HE MET 40 7.512 15.762 -3.281 322 HE3 MET 40 3HE MET 40 7.961 16.081 -1.605 323 H SER 41 H SER 41 5.581 9.589 -3.876 324 HA SER 41 HA SER 41 5.501 7.543 -1.783 325 HB2 SER 41 2HB SER 41 3.204 8.973 -2.791 326 HB3 SER 41 3HB SER 41 3.075 7.259 -3.183 327 HG SER 41 HG SER 41 3.779 8.133 -0.592 328 HA PRO 42 HA PRO 42 6.606 4.718 -4.951 329 HB2 PRO 42 2HB PRO 42 5.217 2.488 -4.264 330 HB3 PRO 42 3HB PRO 42 6.613 3.070 -3.350 331 HG2 PRO 42 2HG PRO 42 3.696 3.426 -2.781 332 HG3 PRO 42 3HG PRO 42 5.013 3.029 -1.663 333 HD2 PRO 42 2HD PRO 42 4.001 5.530 -1.892 334 HD3 PRO 42 3HD PRO 42 5.705 5.221 -1.500 335 H SER 43 H SER 43 3.294 5.570 -4.527 336 HA SER 43 HA SER 43 2.324 4.135 -6.831 337 HB2 SER 43 2HB SER 43 0.403 6.017 -6.275 338 HB3 SER 43 3HB SER 43 0.484 4.412 -5.550 339 HG SER 43 HG SER 43 0.602 6.697 -4.302 340 H ASP 44 H ASP 44 4.212 6.811 -6.481 341 HA ASP 44 HA ASP 44 3.058 8.482 -8.515 342 HB2 ASP 44 2HB ASP 44 4.881 8.891 -6.495 343 HB3 ASP 44 3HB ASP 44 5.902 8.889 -7.931 344 H LEU 45 H LEU 45 4.606 5.583 -8.655 345 HA LEU 45 HA LEU 45 6.423 5.946 -10.793 346 HB2 LEU 45 2HB LEU 45 5.510 3.817 -9.170 347 HB3 LEU 45 3HB LEU 45 5.286 3.328 -10.849 348 HG LEU 45 HG LEU 45 7.644 3.657 -11.293 349 HD11 LEU 45 1HD1 LEU 45 9.114 4.068 -9.216 350 HD12 LEU 45 2HD1 LEU 45 7.654 4.759 -8.511 351 HD13 LEU 45 3HD1 LEU 45 8.330 5.447 -9.987 352 HD21 LEU 45 1HD2 LEU 45 8.449 2.064 -9.278 353 HD22 LEU 45 2HD2 LEU 45 7.521 1.494 -10.665 354 HD23 LEU 45 3HD2 LEU 45 6.702 1.867 -9.148 355 H TYR 46 H TYR 46 3.054 6.043 -10.684 356 HA TYR 46 HA TYR 46 2.709 5.188 -13.453 357 HB2 TYR 46 2HB TYR 46 0.601 6.203 -11.541 358 HB3 TYR 46 3HB TYR 46 0.342 5.329 -13.047 359 HD1 TYR 46 HD1 TYR 46 2.147 3.087 -12.901 360 HD2 TYR 46 HD2 TYR 46 -0.145 4.881 -9.798 361 HE1 TYR 46 HE1 TYR 46 2.158 0.957 -11.671 362 HE2 TYR 46 HE2 TYR 46 -0.140 2.756 -8.558 363 HH TYR 46 HH TYR 46 0.292 0.535 -8.715 364 H SER 47 H SER 47 4.182 7.651 -12.666 365 HA SER 47 HA SER 47 2.513 9.619 -14.092 366 HB2 SER 47 2HB SER 47 3.090 10.129 -11.664 367 HB3 SER 47 3HB SER 47 4.762 10.303 -12.196 368 HG SER 47 HG SER 47 3.552 12.293 -12.150 369 HA PRO 48 HA PRO 48 6.012 8.742 -16.914 370 HB2 PRO 48 2HB PRO 48 4.580 9.231 -19.169 371 HB3 PRO 48 3HB PRO 48 4.562 7.670 -18.338 372 HG2 PRO 48 2HG PRO 48 2.576 9.907 -18.211 373 HG3 PRO 48 3HG PRO 48 2.289 8.161 -18.329 374 HD2 PRO 48 2HD PRO 48 2.094 9.515 -15.992 375 HD3 PRO 48 3HD PRO 48 2.632 7.825 -16.074 376 H GLY 49 H GLY 49 7.123 10.626 -16.223 377 HA2 GLY 49 2HA GLY 49 7.400 12.656 -18.093 378 HA3 GLY 49 3HA GLY 49 6.275 13.256 -16.883 379 H SER 50 H SER 50 7.619 11.684 -14.752 380 HA SER 50 HA SER 50 9.811 13.573 -14.291 381 HB2 SER 50 2HB SER 50 7.998 11.996 -12.514 382 HB3 SER 50 3HB SER 50 9.591 12.444 -11.906 383 HG SER 50 HG SER 50 9.081 14.586 -12.177 384 H TRP 51 H TRP 51 9.503 10.630 -15.595 385 HA TRP 51 HA TRP 51 11.487 9.124 -14.211 386 HB2 TRP 51 2HB TRP 51 10.463 8.802 -17.041 387 HB3 TRP 51 3HB TRP 51 11.383 7.605 -16.134 388 HD1 TRP 51 HD1 TRP 51 9.594 8.209 -13.381 389 HE1 TRP 51 HE1 TRP 51 7.284 7.082 -13.246 390 HE3 TRP 51 HE3 TRP 51 8.873 7.240 -18.349 391 HZ2 TRP 51 HZ2 TRP 51 5.405 5.934 -15.012 392 HZ3 TRP 51 HZ3 TRP 51 6.793 6.125 -19.043 393 HH2 TRP 51 HH2 TRP 51 5.096 5.485 -17.408 394 H ASP 52 H ASP 52 11.604 11.663 -16.501 395 HA ASP 52 HA ASP 52 14.018 11.095 -17.817 396 HB2 ASP 52 2HB ASP 52 12.280 13.433 -17.447 397 HB3 ASP 52 3HB ASP 52 13.979 13.837 -17.679 398 HA PRO 53 HA PRO 53 16.248 13.749 -14.463 399 HB2 PRO 53 2HB PRO 53 14.809 14.491 -12.284 400 HB3 PRO 53 3HB PRO 53 14.897 15.467 -13.755 401 HG2 PRO 53 2HG PRO 53 12.750 13.583 -12.857 402 HG3 PRO 53 3HG PRO 53 12.594 15.191 -13.589 403 HD2 PRO 53 2HD PRO 53 12.275 12.907 -15.008 404 HD3 PRO 53 3HD PRO 53 12.936 14.391 -15.723 405 H ILE 54 H ILE 54 13.887 11.354 -13.546 406 HA ILE 54 HA ILE 54 15.279 10.511 -11.174 407 HB ILE 54 HB ILE 54 13.006 9.270 -12.720 408 HG12 ILE 54 2HG1 ILE 54 13.025 10.499 -9.960 409 HG13 ILE 54 3HG1 ILE 54 12.631 11.407 -11.416 410 HG21 ILE 54 1HG2 ILE 54 14.658 8.203 -10.523 411 HG22 ILE 54 2HG2 ILE 54 12.914 8.020 -10.343 412 HG23 ILE 54 3HG2 ILE 54 13.728 7.358 -11.760 413 HD11 ILE 54 1HD1 ILE 54 10.558 10.617 -11.451 414 HD12 ILE 54 2HD1 ILE 54 11.100 8.957 -11.202 415 HD13 ILE 54 3HD1 ILE 54 10.869 10.026 -9.819 416 H THR 55 H THR 55 14.987 9.385 -14.509 417 HA THR 55 HA THR 55 16.453 6.985 -14.157 418 HB THR 55 HB THR 55 15.943 8.612 -16.653 419 HG1 THR 55 HG1 THR 55 14.083 7.614 -16.624 420 HG21 THR 55 1HG2 THR 55 16.421 6.297 -17.722 421 HG22 THR 55 2HG2 THR 55 17.298 5.973 -16.226 422 HG23 THR 55 3HG2 THR 55 17.780 7.320 -17.258 423 H ALA 56 H ALA 56 17.369 10.213 -15.320 424 HA ALA 56 HA ALA 56 20.082 9.565 -15.825 425 HB1 ALA 56 1HB ALA 56 19.790 11.499 -16.895 426 HB2 ALA 56 2HB ALA 56 18.411 11.942 -15.889 427 HB3 ALA 56 3HB ALA 56 20.051 12.278 -15.334 428 H ALA 57 H ALA 57 18.335 10.543 -12.974 429 HA ALA 57 HA ALA 57 20.580 11.354 -11.431 430 HB1 ALA 57 1HB ALA 57 17.728 10.741 -10.881 431 HB2 ALA 57 2HB ALA 57 18.851 10.735 -9.521 432 HB3 ALA 57 3HB ALA 57 18.670 12.185 -10.509 433 H LEU 58 H LEU 58 18.667 8.347 -11.472 434 HA LEU 58 HA LEU 58 20.263 6.976 -9.595 435 HB2 LEU 58 2HB LEU 58 18.488 5.902 -11.782 436 HB3 LEU 58 3HB LEU 58 19.167 4.942 -10.469 437 HG LEU 58 HG LEU 58 17.354 7.283 -9.954 438 HD11 LEU 58 1HD1 LEU 58 16.684 4.687 -11.081 439 HD12 LEU 58 2HD1 LEU 58 15.703 6.145 -10.925 440 HD13 LEU 58 3HD1 LEU 58 15.835 5.023 -9.571 441 HD21 LEU 58 1HD2 LEU 58 18.775 6.335 -8.126 442 HD22 LEU 58 2HD2 LEU 58 17.906 4.813 -8.321 443 HD23 LEU 58 3HD2 LEU 58 17.040 6.266 -7.821 444 H SER 59 H SER 59 20.281 7.011 -13.141 445 HA SER 59 HA SER 59 22.205 5.072 -13.603 446 HB2 SER 59 2HB SER 59 21.203 5.808 -15.554 447 HB3 SER 59 3HB SER 59 21.313 7.507 -15.094 448 HG SER 59 HG SER 59 22.917 6.216 -16.691 449 H GLN 60 H GLN 60 22.572 8.374 -12.527 450 HA GLN 60 HA GLN 60 25.458 8.313 -12.846 451 HB2 GLN 60 2HB GLN 60 24.449 10.417 -13.321 452 HB3 GLN 60 3HB GLN 60 23.537 10.397 -11.818 453 HG2 GLN 60 2HG GLN 60 25.195 11.343 -10.688 454 HG3 GLN 60 3HG GLN 60 26.387 10.226 -11.351 455 HE21 GLN 60 1HE2 GLN 60 24.499 13.101 -12.174 456 HE22 GLN 60 2HE2 GLN 60 25.705 13.821 -13.179 457 H ARG 61 H ARG 61 23.057 8.205 -10.267 458 HA ARG 61 HA ARG 61 24.673 8.482 -8.044 459 HB2 ARG 61 2HB ARG 61 22.141 8.241 -8.136 460 HB3 ARG 61 3HB ARG 61 22.403 6.504 -8.210 461 HG2 ARG 61 2HG ARG 61 23.877 7.039 -6.059 462 HG3 ARG 61 3HG ARG 61 22.737 8.382 -5.951 463 HD2 ARG 61 2HD ARG 61 20.876 6.757 -6.112 464 HD3 ARG 61 3HD ARG 61 22.057 5.448 -6.099 465 HE ARG 61 HE ARG 61 22.181 5.671 -3.837 466 HH11 ARG 61 1HH1 ARG 61 20.966 8.647 -5.174 467 HH12 ARG 61 2HH1 ARG 61 20.682 9.378 -3.629 468 HH21 ARG 61 1HH2 ARG 61 21.812 6.622 -1.797 469 HH22 ARG 61 2HH2 ARG 61 21.165 8.225 -1.709 470 H ALA 62 H ALA 62 24.175 5.668 -10.091 471 HA ALA 62 HA ALA 62 25.335 3.696 -8.513 472 HB1 ALA 62 1HB ALA 62 24.754 4.053 -11.361 473 HB2 ALA 62 2HB ALA 62 26.083 2.944 -11.021 474 HB3 ALA 62 3HB ALA 62 24.493 2.659 -10.313 475 H MET 63 H MET 63 26.800 6.326 -10.216 476 HA MET 63 HA MET 63 29.474 5.178 -9.839 477 HB2 MET 63 2HB MET 63 28.549 7.574 -11.432 478 HB3 MET 63 3HB MET 63 30.229 7.077 -11.271 479 HG2 MET 63 2HG MET 63 29.072 4.773 -12.117 480 HG3 MET 63 3HG MET 63 28.086 5.982 -12.936 481 HE1 MET 63 1HE MET 63 30.506 7.847 -15.210 482 HE2 MET 63 2HE MET 63 28.928 7.786 -14.426 483 HE3 MET 63 3HE MET 63 30.332 8.379 -13.537 484 H ILE 64 H ILE 64 27.575 8.091 -9.139 485 HA ILE 64 HA ILE 64 29.455 9.593 -7.794 486 HB ILE 64 HB ILE 64 26.527 9.331 -7.097 487 HG12 ILE 64 2HG1 ILE 64 26.962 9.944 -9.458 488 HG13 ILE 64 3HG1 ILE 64 26.198 11.249 -8.558 489 HG21 ILE 64 1HG2 ILE 64 27.301 10.493 -5.296 490 HG22 ILE 64 2HG2 ILE 64 28.684 11.147 -6.171 491 HG23 ILE 64 3HG2 ILE 64 27.079 11.831 -6.423 492 HD11 ILE 64 1HD1 ILE 64 27.998 11.998 -10.072 493 HD12 ILE 64 2HD1 ILE 64 28.283 12.417 -8.383 494 HD13 ILE 64 3HD1 ILE 64 29.147 11.065 -9.114 495 H LEU 65 H LEU 65 27.455 6.953 -6.553 496 HA LEU 65 HA LEU 65 28.952 7.068 -4.023 497 HB2 LEU 65 2HB LEU 65 26.180 6.532 -4.695 498 HB3 LEU 65 3HB LEU 65 26.876 5.264 -3.689 499 HG LEU 65 HG LEU 65 25.761 6.876 -2.294 500 HD11 LEU 65 1HD1 LEU 65 28.310 5.993 -1.925 501 HD12 LEU 65 2HD1 LEU 65 27.349 6.847 -0.718 502 HD13 LEU 65 3HD1 LEU 65 28.499 7.735 -1.718 503 HD21 LEU 65 1HD2 LEU 65 25.913 9.125 -2.475 504 HD22 LEU 65 2HD2 LEU 65 26.344 8.728 -4.139 505 HD23 LEU 65 3HD2 LEU 65 27.608 9.083 -2.961 506 H GLY 66 H GLY 66 27.522 4.682 -6.262 507 HA2 GLY 66 2HA GLY 66 29.185 3.054 -7.189 508 HA3 GLY 66 3HA GLY 66 29.729 2.857 -5.530 509 H LYS 67 H LYS 67 26.357 3.193 -6.401 510 HA LYS 67 HA LYS 67 25.958 0.324 -5.879 511 HB2 LYS 67 2HB LYS 67 23.774 1.058 -4.750 512 HB3 LYS 67 3HB LYS 67 25.269 1.285 -3.852 513 HG2 LYS 67 2HG LYS 67 25.279 3.613 -4.280 514 HG3 LYS 67 3HG LYS 67 23.991 3.466 -5.478 515 HD2 LYS 67 2HD LYS 67 22.455 3.739 -3.895 516 HD3 LYS 67 3HD LYS 67 23.090 2.350 -3.010 517 HE2 LYS 67 2HE LYS 67 24.916 4.058 -2.240 518 HE3 LYS 67 3HE LYS 67 23.701 5.255 -2.685 519 HZ1 LYS 67 1HZ LYS 67 22.811 3.037 -1.017 520 HZ2 LYS 67 2HZ LYS 67 22.365 4.668 -0.978 521 HZ3 LYS 67 3HZ LYS 67 23.826 4.175 -0.283 522 H SER 68 H SER 68 25.192 -0.545 -7.684 523 HA SER 68 HA SER 68 23.345 1.036 -9.343 524 HB2 SER 68 2HB SER 68 25.630 -0.555 -9.997 525 HB3 SER 68 3HB SER 68 24.205 -1.294 -10.728 526 HG SER 68 HG SER 68 24.749 0.186 -12.193 527 H GLY 69 H GLY 69 22.738 -0.621 -6.917 528 HA2 GLY 69 2HA GLY 69 21.398 -2.983 -7.774 529 HA3 GLY 69 3HA GLY 69 21.204 -2.188 -6.218 530 H GLU 70 H GLU 70 19.996 0.030 -6.473 531 HA GLU 70 HA GLU 70 17.364 -0.532 -7.179 532 HB2 GLU 70 2HB GLU 70 18.806 2.082 -6.766 533 HB3 GLU 70 3HB GLU 70 17.081 2.004 -7.098 534 HG2 GLU 70 2HG GLU 70 17.088 2.092 -4.815 535 HG3 GLU 70 3HG GLU 70 17.057 0.350 -5.084 536 H LEU 71 H LEU 71 20.005 0.610 -9.106 537 HA LEU 71 HA LEU 71 18.554 1.774 -11.224 538 HB2 LEU 71 2HB LEU 71 21.295 0.899 -10.721 539 HB3 LEU 71 3HB LEU 71 20.807 0.746 -12.407 540 HG LEU 71 HG LEU 71 20.765 3.280 -10.768 541 HD11 LEU 71 1HD1 LEU 71 22.783 3.785 -11.588 542 HD12 LEU 71 2HD1 LEU 71 22.407 3.130 -13.182 543 HD13 LEU 71 3HD1 LEU 71 22.931 2.053 -11.887 544 HD21 LEU 71 1HD2 LEU 71 20.502 4.060 -13.335 545 HD22 LEU 71 2HD2 LEU 71 19.143 3.815 -12.238 546 HD23 LEU 71 3HD2 LEU 71 19.601 2.544 -13.372 547 H LYS 72 H LYS 72 19.781 -1.520 -10.733 548 HA LYS 72 HA LYS 72 19.019 -2.608 -13.183 549 HB2 LYS 72 2HB LYS 72 19.868 -3.595 -10.594 550 HB3 LYS 72 3HB LYS 72 18.645 -4.643 -11.299 551 HG2 LYS 72 2HG LYS 72 21.182 -3.784 -12.675 552 HG3 LYS 72 3HG LYS 72 20.941 -5.329 -11.856 553 HD2 LYS 72 2HD LYS 72 18.786 -4.901 -13.679 554 HD3 LYS 72 3HD LYS 72 20.313 -4.644 -14.528 555 HE2 LYS 72 2HE LYS 72 20.949 -6.873 -13.217 556 HE3 LYS 72 3HE LYS 72 19.204 -7.105 -13.296 557 HZ1 LYS 72 1HZ LYS 72 19.477 -7.828 -15.356 558 HZ2 LYS 72 2HZ LYS 72 21.128 -7.461 -15.330 559 HZ3 LYS 72 3HZ LYS 72 20.010 -6.290 -15.818 560 H THR 73 H THR 73 17.152 -1.969 -10.291 561 HA THR 73 HA THR 73 14.839 -3.429 -11.203 562 HB THR 73 HB THR 73 14.797 -1.373 -9.008 563 HG1 THR 73 HG1 THR 73 16.026 -3.909 -9.041 564 HG21 THR 73 1HG2 THR 73 13.393 -3.657 -8.275 565 HG22 THR 73 2HG2 THR 73 13.043 -3.462 -9.993 566 HG23 THR 73 3HG2 THR 73 12.705 -2.146 -8.869 567 H TRP 74 H TRP 74 15.712 -0.003 -10.830 568 HA TRP 74 HA TRP 74 13.315 1.109 -11.717 569 HB2 TRP 74 2HB TRP 74 15.060 2.443 -10.650 570 HB3 TRP 74 3HB TRP 74 16.130 2.176 -12.024 571 HD1 TRP 74 HD1 TRP 74 16.262 4.260 -13.484 572 HE1 TRP 74 HE1 TRP 74 14.639 6.118 -14.218 573 HE3 TRP 74 HE3 TRP 74 12.079 2.720 -10.980 574 HZ2 TRP 74 HZ2 TRP 74 11.943 6.836 -13.791 575 HZ3 TRP 74 HZ3 TRP 74 10.019 4.049 -11.196 576 HH2 TRP 74 HH2 TRP 74 9.955 6.064 -12.572 577 H GLY 75 H GLY 75 16.273 0.431 -13.595 578 HA2 GLY 75 2HA GLY 75 15.388 1.250 -16.086 579 HA3 GLY 75 3HA GLY 75 16.559 -0.034 -15.826 580 H LEU 76 H LEU 76 14.770 -1.794 -14.425 581 HA LEU 76 HA LEU 76 13.539 -3.035 -16.696 582 HB2 LEU 76 2HB LEU 76 13.959 -3.708 -13.839 583 HB3 LEU 76 3HB LEU 76 12.640 -4.524 -14.676 584 HG LEU 76 HG LEU 76 15.546 -4.586 -15.487 585 HD11 LEU 76 1HD1 LEU 76 15.019 -7.107 -14.931 586 HD12 LEU 76 2HD1 LEU 76 13.827 -6.379 -13.854 587 HD13 LEU 76 3HD1 LEU 76 15.536 -5.978 -13.679 588 HD21 LEU 76 1HD2 LEU 76 13.047 -5.711 -16.698 589 HD22 LEU 76 2HD2 LEU 76 14.605 -6.503 -16.935 590 HD23 LEU 76 3HD2 LEU 76 14.370 -4.840 -17.475 591 H VAL 77 H VAL 77 12.265 -1.818 -13.594 592 HA VAL 77 HA VAL 77 9.560 -2.161 -14.143 593 HB VAL 77 HB VAL 77 10.912 -0.074 -12.431 594 HG11 VAL 77 1HG1 VAL 77 8.934 0.940 -12.306 595 HG12 VAL 77 2HG1 VAL 77 8.137 -0.355 -13.202 596 HG13 VAL 77 3HG1 VAL 77 8.348 -0.489 -11.456 597 HG21 VAL 77 1HG2 VAL 77 10.116 -1.578 -10.592 598 HG22 VAL 77 2HG2 VAL 77 9.675 -2.755 -11.829 599 HG23 VAL 77 3HG2 VAL 77 11.360 -2.277 -11.629 600 H LEU 78 H LEU 78 11.514 0.796 -14.536 601 HA LEU 78 HA LEU 78 9.563 2.431 -15.623 602 HB2 LEU 78 2HB LEU 78 12.148 2.760 -15.014 603 HB3 LEU 78 3HB LEU 78 12.286 2.640 -16.767 604 HG LEU 78 HG LEU 78 10.867 4.728 -15.138 605 HD11 LEU 78 1HD1 LEU 78 12.488 5.541 -17.401 606 HD12 LEU 78 2HD1 LEU 78 13.399 4.587 -16.231 607 HD13 LEU 78 3HD1 LEU 78 12.561 6.050 -15.714 608 HD21 LEU 78 1HD2 LEU 78 10.379 3.873 -17.952 609 HD22 LEU 78 2HD2 LEU 78 10.308 5.590 -17.552 610 HD23 LEU 78 3HD2 LEU 78 9.241 4.448 -16.733 611 H GLY 79 H GLY 79 11.784 0.220 -17.299 612 HA2 GLY 79 2HA GLY 79 11.166 0.784 -19.924 613 HA3 GLY 79 3HA GLY 79 11.593 -0.819 -19.341 614 H ALA 80 H ALA 80 9.232 -0.946 -17.581 615 HA ALA 80 HA ALA 80 7.413 -2.057 -19.490 616 HB1 ALA 80 1HB ALA 80 6.240 -2.923 -17.677 617 HB2 ALA 80 2HB ALA 80 7.905 -2.864 -17.097 618 HB3 ALA 80 3HB ALA 80 6.754 -1.624 -16.600 619 H LEU 81 H LEU 81 7.025 0.517 -17.045 620 HA LEU 81 HA LEU 81 4.524 1.407 -17.899 621 HB2 LEU 81 2HB LEU 81 6.671 3.136 -16.692 622 HB3 LEU 81 3HB LEU 81 4.928 3.383 -16.617 623 HG LEU 81 HG LEU 81 5.995 0.884 -15.428 624 HD11 LEU 81 1HD1 LEU 81 7.342 3.149 -14.807 625 HD12 LEU 81 2HD1 LEU 81 7.111 1.792 -13.706 626 HD13 LEU 81 3HD1 LEU 81 6.043 3.192 -13.614 627 HD21 LEU 81 1HD2 LEU 81 4.201 2.441 -13.821 628 HD22 LEU 81 2HD2 LEU 81 3.961 0.849 -14.541 629 HD23 LEU 81 3HD2 LEU 81 3.575 2.302 -15.464 630 H LYS 82 H LYS 82 7.758 2.621 -18.746 631 HA LYS 82 HA LYS 82 6.989 4.694 -20.430 632 HB2 LYS 82 2HB LYS 82 9.384 3.546 -19.649 633 HB3 LYS 82 3HB LYS 82 9.347 3.261 -21.384 634 HG2 LYS 82 2HG LYS 82 9.373 5.514 -21.890 635 HG3 LYS 82 3HG LYS 82 8.750 5.981 -20.306 636 HD2 LYS 82 2HD LYS 82 11.055 4.824 -19.560 637 HD3 LYS 82 3HD LYS 82 11.518 5.392 -21.167 638 HE2 LYS 82 2HE LYS 82 10.092 7.486 -19.915 639 HE3 LYS 82 3HE LYS 82 11.253 6.874 -18.739 640 HZ1 LYS 82 1HZ LYS 82 12.101 8.677 -20.208 641 HZ2 LYS 82 2HZ LYS 82 11.978 7.614 -21.518 642 HZ3 LYS 82 3HZ LYS 82 13.030 7.263 -20.240 643 H ALA 83 H ALA 83 6.914 1.275 -20.936 644 HA ALA 83 HA ALA 83 6.635 1.506 -23.817 645 HB1 ALA 83 1HB ALA 83 7.803 -0.415 -23.269 646 HB2 ALA 83 2HB ALA 83 6.757 -0.784 -21.897 647 HB3 ALA 83 3HB ALA 83 6.172 -1.028 -23.542 648 H ALA 84 H ALA 84 4.628 1.375 -21.020 649 HA ALA 84 HA ALA 84 2.266 0.406 -22.303 650 HB1 ALA 84 1HB ALA 84 2.575 0.185 -19.899 651 HB2 ALA 84 2HB ALA 84 2.581 1.941 -19.726 652 HB3 ALA 84 3HB ALA 84 1.118 1.113 -20.260 653 H ARG 85 H ARG 85 3.633 3.585 -21.663 654 HA ARG 85 HA ARG 85 1.355 4.814 -23.062 655 HB2 ARG 85 2HB ARG 85 2.457 6.962 -22.056 656 HB3 ARG 85 3HB ARG 85 1.464 5.925 -21.040 657 HG2 ARG 85 2HG ARG 85 4.280 5.170 -21.058 658 HG3 ARG 85 3HG ARG 85 3.986 6.801 -20.451 659 HD2 ARG 85 2HD ARG 85 3.920 4.764 -18.823 660 HD3 ARG 85 3HD ARG 85 2.733 6.058 -18.671 661 HE ARG 85 HE ARG 85 1.912 3.856 -20.347 662 HH11 ARG 85 1HH1 ARG 85 1.969 5.185 -17.130 663 HH12 ARG 85 2HH1 ARG 85 0.607 4.264 -16.584 664 HH21 ARG 85 1HH2 ARG 85 0.118 2.638 -19.641 665 HH22 ARG 85 2HH2 ARG 85 -0.445 2.814 -18.013 666 H GLU 86 H GLU 86 4.891 4.792 -22.857 667 HA GLU 86 HA GLU 86 6.514 5.483 -24.301 668 HB2 GLU 86 2HB GLU 86 4.957 3.696 -25.598 669 HB3 GLU 86 3HB GLU 86 4.791 5.077 -26.673 670 HG2 GLU 86 2HG GLU 86 7.538 4.772 -25.993 671 HG3 GLU 86 3HG GLU 86 6.902 3.216 -26.522 672 H GLU 87 H GLU 87 4.835 7.548 -23.309 673 HA GLU 87 HA GLU 87 4.029 9.313 -25.387 674 HB2 GLU 87 2HB GLU 87 4.239 9.405 -22.447 675 HB3 GLU 87 3HB GLU 87 4.402 10.958 -23.253 676 HG2 GLU 87 2HG GLU 87 2.256 10.872 -24.134 677 HG3 GLU 87 3HG GLU 87 2.131 9.128 -23.909
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