NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
566935 | 2me0 | 19511 | 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 2.157 15.002 14.672 2 HA SER 1 HA SER 1 1.368 16.949 13.519 3 HB2 SER 1 1HB SER 1 3.173 18.556 12.668 4 HB3 SER 1 2HB SER 1 2.784 18.607 14.392 5 HG SER 1 HG SER 1 5.063 18.608 13.890 6 H ALA 2 H ALA 2 0.995 16.641 11.317 7 HA ALA 2 HA ALA 2 2.046 14.155 10.247 8 HB1 ALA 2 1HB ALA 2 0.548 14.660 8.335 9 HB2 ALA 2 2HB ALA 2 -0.309 14.950 9.859 10 HB3 ALA 2 3HB ALA 2 0.327 16.317 8.925 11 HA PRO 3 HA PRO 3 5.357 16.003 7.911 12 HB2 PRO 3 1HB PRO 3 6.012 14.093 6.114 13 HB3 PRO 3 2HB PRO 3 6.149 13.819 7.867 14 HG2 PRO 3 1HG PRO 3 3.847 13.005 6.057 15 HG3 PRO 3 2HG PRO 3 4.752 11.981 7.221 16 HD2 PRO 3 1HD PRO 3 2.380 13.206 7.859 17 HD3 PRO 3 2HD PRO 3 3.672 12.955 9.063 18 H GLY 4 H GLY 4 2.245 15.719 6.564 19 HA2 GLY 4 1HA GLY 4 1.172 16.778 4.852 20 HA3 GLY 4 2HA GLY 4 2.537 17.900 4.834 21 H GLY 5 H GLY 5 3.608 18.025 2.908 22 HA2 GLY 5 1HA GLY 5 4.690 17.354 0.999 23 HA3 GLY 5 2HA GLY 5 4.187 15.676 1.275 24 H LYS 6 H LYS 6 3.308 18.766 -0.126 25 HA LYS 6 HA LYS 6 0.586 17.940 -0.877 26 HB2 LYS 6 1HB LYS 6 2.123 20.499 -1.449 27 HB3 LYS 6 2HB LYS 6 0.471 20.143 -1.980 28 HG2 LYS 6 1HG LYS 6 -0.085 19.710 0.477 29 HG3 LYS 6 2HG LYS 6 1.453 20.468 0.887 30 HD2 LYS 6 1HD LYS 6 0.752 22.560 -0.129 31 HD3 LYS 6 2HD LYS 6 -0.681 21.791 -0.853 32 HE2 LYS 6 1HE LYS 6 -1.628 21.350 1.339 33 HE3 LYS 6 2HE LYS 6 -0.207 22.035 2.144 34 HZ1 LYS 6 3HZ LYS 6 -0.749 24.163 1.305 35 HZ2 LYS 6 1HZ LYS 6 -2.155 23.561 1.942 36 HZ3 LYS 6 2HZ LYS 6 -1.929 23.592 0.317 37 H SER 7 H SER 7 1.518 16.016 -1.981 38 HA SER 7 HA SER 7 0.796 16.650 -4.702 39 HB2 SER 7 1HB SER 7 2.430 14.593 -5.358 40 HB3 SER 7 2HB SER 7 2.837 16.286 -5.585 41 HG SER 7 HG SER 7 4.298 16.195 -4.150 42 H ARG 8 H ARG 8 -1.152 15.602 -4.745 43 HA ARG 8 HA ARG 8 -1.183 12.763 -4.279 44 HB2 ARG 8 1HB ARG 8 -1.506 13.984 -1.923 45 HB3 ARG 8 2HB ARG 8 -3.159 14.193 -2.447 46 HG2 ARG 8 1HG ARG 8 -1.747 11.506 -2.565 47 HG3 ARG 8 2HG ARG 8 -2.441 12.105 -1.069 48 HD2 ARG 8 1HD ARG 8 -4.303 12.137 -3.410 49 HD3 ARG 8 2HD ARG 8 -3.763 10.539 -2.920 50 HE ARG 8 HE ARG 8 -5.689 12.168 -1.594 51 HH11 ARG 8 1HH1 ARG 8 -3.055 9.866 -0.820 52 HH12 ARG 8 2HH1 ARG 8 -3.692 9.560 0.759 53 HH21 ARG 8 1HH2 ARG 8 -6.552 11.560 0.416 54 HH22 ARG 8 2HH2 ARG 8 -5.800 10.319 1.378 55 H ARG 9 H ARG 9 -2.146 12.331 -6.246 56 HA ARG 9 HA ARG 9 -4.471 13.883 -7.196 57 HB2 ARG 9 1HB ARG 9 -2.930 11.444 -8.171 58 HB3 ARG 9 2HB ARG 9 -4.543 11.786 -8.800 59 HG2 ARG 9 1HG ARG 9 -3.917 13.959 -9.561 60 HG3 ARG 9 2HG ARG 9 -2.319 13.873 -8.828 61 HD2 ARG 9 1HD ARG 9 -3.271 11.940 -10.987 62 HD3 ARG 9 2HD ARG 9 -2.504 13.484 -11.355 63 HE ARG 9 HE ARG 9 -0.793 12.282 -9.548 64 HH11 ARG 9 1HH1 ARG 9 -1.827 11.822 -12.911 65 HH12 ARG 9 2HH1 ARG 9 -0.713 10.579 -13.282 66 HH21 ARG 9 1HH2 ARG 9 0.944 10.898 -10.109 67 HH22 ARG 9 2HH2 ARG 9 1.141 10.325 -11.741 68 H ARG 10 H ARG 10 -6.517 13.520 -6.341 69 HA ARG 10 HA ARG 10 -6.962 11.205 -4.607 70 HB2 ARG 10 1HB ARG 10 -7.957 13.314 -3.938 71 HB3 ARG 10 2HB ARG 10 -8.882 13.425 -5.448 72 HG2 ARG 10 1HG ARG 10 -10.331 11.657 -4.851 73 HG3 ARG 10 2HG ARG 10 -9.155 10.931 -3.761 74 HD2 ARG 10 1HD ARG 10 -9.464 12.885 -2.212 75 HD3 ARG 10 2HD ARG 10 -10.805 13.417 -3.212 76 HE ARG 10 HE ARG 10 -10.630 10.871 -1.648 77 HH11 ARG 10 1HH1 ARG 10 -12.729 13.235 -3.283 78 HH12 ARG 10 2HH1 ARG 10 -14.187 12.481 -2.692 79 HH21 ARG 10 1HH2 ARG 10 -12.485 9.971 -0.883 80 HH22 ARG 10 2HH2 ARG 10 -14.058 10.460 -1.448 81 H ARG 11 H ARG 11 -6.956 9.427 -5.716 82 HA ARG 11 HA ARG 11 -8.833 9.087 -8.016 83 HB2 ARG 11 1HB ARG 11 -6.494 9.069 -8.678 84 HB3 ARG 11 2HB ARG 11 -6.151 7.730 -7.580 85 HG2 ARG 11 1HG ARG 11 -7.218 6.175 -8.912 86 HG3 ARG 11 2HG ARG 11 -8.275 7.370 -9.688 87 HD2 ARG 11 1HD ARG 11 -6.386 8.225 -10.969 88 HD3 ARG 11 2HD ARG 11 -5.298 7.064 -10.189 89 HE ARG 11 HE ARG 11 -7.291 5.487 -11.229 90 HH11 ARG 11 1HH1 ARG 11 -5.271 7.998 -12.659 91 HH12 ARG 11 2HH1 ARG 11 -5.408 7.409 -14.272 92 HH21 ARG 11 1HH2 ARG 11 -7.272 4.497 -13.390 93 HH22 ARG 11 2HH2 ARG 11 -6.401 5.288 -14.641 94 H THR 12 H THR 12 -9.118 8.507 -4.855 95 HA THR 12 HA THR 12 -10.775 6.199 -5.416 96 HB THR 12 HB THR 12 -8.562 5.184 -4.901 97 HG1 THR 12 1HG THR 12 -9.405 3.804 -3.268 98 HG21 THR 12 3HG2 THR 12 -7.644 5.211 -2.706 99 HG22 THR 12 1HG2 THR 12 -8.952 6.240 -2.069 100 HG23 THR 12 2HG2 THR 12 -7.777 6.892 -3.223 101 H ALA 13 H ALA 13 -12.009 5.553 -3.519 102 HA ALA 13 HA ALA 13 -12.876 7.830 -1.813 103 HB1 ALA 13 1HB ALA 13 -14.491 5.555 -3.014 104 HB2 ALA 13 2HB ALA 13 -15.121 6.883 -2.006 105 HB3 ALA 13 3HB ALA 13 -14.445 7.234 -3.608 106 H PHE 14 H PHE 14 -10.740 5.825 -1.141 107 HA PHE 14 HA PHE 14 -12.081 4.445 1.116 108 HB2 PHE 14 1HB PHE 14 -9.166 4.347 0.362 109 HB3 PHE 14 2HB PHE 14 -10.074 3.268 1.445 110 HD1 PHE 14 2HD PHE 14 -12.436 2.654 -0.462 111 HD2 PHE 14 1HD PHE 14 -8.147 2.582 -0.863 112 HE1 PHE 14 2HE PHE 14 -12.639 0.816 -2.060 113 HE2 PHE 14 1HE PHE 14 -8.335 0.620 -2.367 114 HZ PHE 14 HZ PHE 14 -10.597 -0.293 -2.941 115 H THR 15 H THR 15 -10.793 4.687 3.176 116 HA THR 15 HA THR 15 -10.158 7.498 3.822 117 HB THR 15 HB THR 15 -12.151 7.447 4.879 118 HG1 THR 15 1HG THR 15 -12.130 6.542 6.951 119 HG21 THR 15 3HG2 THR 15 -11.956 4.457 5.066 120 HG22 THR 15 1HG2 THR 15 -12.940 5.324 3.857 121 HG23 THR 15 2HG2 THR 15 -13.389 5.379 5.560 122 H SER 16 H SER 16 -8.944 7.500 6.036 123 HA SER 16 HA SER 16 -6.623 5.805 5.875 124 HB2 SER 16 1HB SER 16 -5.855 6.972 7.700 125 HB3 SER 16 2HB SER 16 -6.875 8.156 6.865 126 HG SER 16 HG SER 16 -7.103 7.291 9.378 127 H GLU 17 H GLU 17 -9.821 5.567 7.227 128 HA GLU 17 HA GLU 17 -9.112 3.928 9.494 129 HB2 GLU 17 1HB GLU 17 -11.006 5.707 8.864 130 HB3 GLU 17 2HB GLU 17 -11.908 4.245 8.391 131 HG2 GLU 17 1HG GLU 17 -11.534 3.390 10.725 132 HG3 GLU 17 2HG GLU 17 -10.657 4.889 11.094 133 H GLN 18 H GLN 18 -10.562 3.409 6.348 134 HA GLN 18 HA GLN 18 -10.809 0.472 6.459 135 HB2 GLN 18 1HB GLN 18 -10.916 2.528 4.196 136 HB3 GLN 18 2HB GLN 18 -11.363 0.848 4.032 137 HG2 GLN 18 1HG GLN 18 -12.813 2.610 6.060 138 HG3 GLN 18 2HG GLN 18 -13.211 2.672 4.347 139 HE21 GLN 18 1HE2 GLN 18 -13.859 0.658 3.263 140 HE22 GLN 18 2HE2 GLN 18 -14.779 -0.483 4.246 141 H LEU 19 H LEU 19 -8.394 2.883 5.504 142 HA LEU 19 HA LEU 19 -6.738 1.108 3.901 143 HB2 LEU 19 1HB LEU 19 -6.572 3.872 5.033 144 HB3 LEU 19 2HB LEU 19 -5.049 3.105 4.762 145 HG LEU 19 HG LEU 19 -5.207 3.054 2.483 146 HD11 LEU 19 1HD1 LEU 19 -7.419 2.048 2.115 147 HD12 LEU 19 2HD1 LEU 19 -7.193 3.484 1.130 148 HD13 LEU 19 3HD1 LEU 19 -8.186 3.567 2.599 149 HD21 LEU 19 3HD2 LEU 19 -6.699 5.546 3.416 150 HD22 LEU 19 1HD2 LEU 19 -5.903 5.393 1.856 151 HD23 LEU 19 2HD2 LEU 19 -4.953 5.332 3.374 152 H LEU 20 H LEU 20 -7.218 1.322 7.363 153 HA LEU 20 HA LEU 20 -4.536 1.325 8.144 154 HB2 LEU 20 1HB LEU 20 -6.994 1.460 9.391 155 HB3 LEU 20 2HB LEU 20 -6.466 -0.156 9.882 156 HG LEU 20 HG LEU 20 -4.797 2.357 10.138 157 HD11 LEU 20 1HD1 LEU 20 -6.850 2.588 11.476 158 HD12 LEU 20 2HD1 LEU 20 -5.434 2.410 12.520 159 HD13 LEU 20 3HD1 LEU 20 -6.528 1.033 12.264 160 HD21 LEU 20 3HD2 LEU 20 -3.451 0.277 10.208 161 HD22 LEU 20 1HD2 LEU 20 -4.510 -0.375 11.476 162 HD23 LEU 20 2HD2 LEU 20 -3.488 1.041 11.797 163 H GLU 21 H GLU 21 -6.820 -1.312 7.767 164 HA GLU 21 HA GLU 21 -5.197 -3.539 8.239 165 HB2 GLU 21 1HB GLU 21 -7.573 -3.388 6.349 166 HB3 GLU 21 2HB GLU 21 -7.036 -4.779 7.294 167 HG2 GLU 21 1HG GLU 21 -8.287 -2.184 8.339 168 HG3 GLU 21 2HG GLU 21 -9.028 -3.746 8.302 169 H LEU 22 H LEU 22 -5.815 -1.719 5.346 170 HA LEU 22 HA LEU 22 -4.700 -3.442 3.342 171 HB2 LEU 22 1HB LEU 22 -6.270 -1.107 3.562 172 HB3 LEU 22 2HB LEU 22 -4.782 -0.478 2.876 173 HG LEU 22 HG LEU 22 -6.549 -2.656 1.654 174 HD11 LEU 22 1HD1 LEU 22 -7.618 -0.420 1.825 175 HD12 LEU 22 2HD1 LEU 22 -7.305 -0.885 0.137 176 HD13 LEU 22 3HD1 LEU 22 -6.256 0.293 0.952 177 HD21 LEU 22 3HD2 LEU 22 -4.424 -1.043 0.318 178 HD22 LEU 22 1HD2 LEU 22 -5.317 -2.393 -0.389 179 HD23 LEU 22 2HD2 LEU 22 -4.112 -2.660 0.922 180 H GLU 23 H GLU 23 -3.352 -1.138 5.472 181 HA GLU 23 HA GLU 23 -0.655 -1.233 4.174 182 HB2 GLU 23 1HB GLU 23 -1.847 0.454 6.402 183 HB3 GLU 23 2HB GLU 23 -0.120 0.397 6.103 184 HG2 GLU 23 1HG GLU 23 -2.109 1.147 3.906 185 HG3 GLU 23 2HG GLU 23 -1.512 2.313 5.071 186 H LYS 24 H LYS 24 -2.442 -2.136 7.097 187 HA LYS 24 HA LYS 24 -0.404 -3.035 8.739 188 HB2 LYS 24 1HB LYS 24 -2.956 -2.799 9.075 189 HB3 LYS 24 2HB LYS 24 -3.088 -4.440 8.429 190 HG2 LYS 24 1HG LYS 24 -1.794 -5.237 10.411 191 HG3 LYS 24 2HG LYS 24 -1.661 -3.545 10.967 192 HD2 LYS 24 1HD LYS 24 -4.195 -3.383 10.858 193 HD3 LYS 24 2HD LYS 24 -4.236 -5.112 10.489 194 HE2 LYS 24 1HE LYS 24 -3.195 -5.580 12.704 195 HE3 LYS 24 2HE LYS 24 -3.192 -3.841 13.049 196 HZ1 LYS 24 3HZ LYS 24 -5.614 -3.858 12.848 197 HZ2 LYS 24 1HZ LYS 24 -5.136 -4.949 13.979 198 HZ3 LYS 24 2HZ LYS 24 -5.600 -5.472 12.508 199 H GLU 25 H GLU 25 -1.967 -4.796 6.032 200 HA GLU 25 HA GLU 25 -0.668 -7.266 6.443 201 HB2 GLU 25 1HB GLU 25 -2.004 -5.883 4.141 202 HB3 GLU 25 2HB GLU 25 -0.869 -7.180 3.707 203 HG2 GLU 25 1HG GLU 25 -3.118 -7.452 5.719 204 HG3 GLU 25 2HG GLU 25 -3.196 -7.940 4.019 205 H PHE 26 H PHE 26 0.830 -4.264 5.265 206 HA PHE 26 HA PHE 26 3.113 -5.602 4.085 207 HB2 PHE 26 1HB PHE 26 2.437 -2.786 4.686 208 HB3 PHE 26 2HB PHE 26 4.117 -3.186 4.909 209 HD1 PHE 26 2HD PHE 26 1.393 -3.766 2.373 210 HD2 PHE 26 1HD PHE 26 5.561 -2.923 3.116 211 HE1 PHE 26 2HE PHE 26 1.853 -3.728 -0.073 212 HE2 PHE 26 1HE PHE 26 5.960 -2.777 0.684 213 HZ PHE 26 HZ PHE 26 4.114 -3.174 -0.925 214 H HIS 27 H HIS 27 2.089 -5.175 7.362 215 HA HIS 27 HA HIS 27 4.815 -5.518 8.444 216 HB2 HIS 27 1HB HIS 27 3.332 -4.005 9.607 217 HB3 HIS 27 2HB HIS 27 2.082 -5.231 9.721 218 HD1 HIS 27 1HD HIS 27 1.989 -6.581 11.852 219 HD2 HIS 27 2HD HIS 27 5.692 -4.676 11.158 220 HE1 HIS 27 1HE HIS 27 3.363 -6.892 13.962 221 H CYS 28 H CYS 28 2.119 -7.482 7.355 222 HA CYS 28 HA CYS 28 2.997 -9.856 8.854 223 HB2 CYS 28 1HB CYS 28 0.557 -9.234 7.991 224 HB3 CYS 28 2HB CYS 28 1.109 -9.950 6.481 225 HG CYS 28 HG CYS 28 1.958 -12.218 7.605 226 H LYS 29 H LYS 29 3.033 -8.597 5.467 227 HA LYS 29 HA LYS 29 5.272 -10.385 4.702 228 HB2 LYS 29 1HB LYS 29 3.867 -11.358 2.894 229 HB3 LYS 29 2HB LYS 29 3.204 -11.723 4.492 230 HG2 LYS 29 1HG LYS 29 1.608 -9.744 4.181 231 HG3 LYS 29 2HG LYS 29 2.174 -9.639 2.540 232 HD2 LYS 29 1HD LYS 29 0.487 -11.748 3.904 233 HD3 LYS 29 2HD LYS 29 0.140 -10.793 2.486 234 HE2 LYS 29 1HE LYS 29 0.495 -12.718 1.411 235 HE3 LYS 29 2HE LYS 29 2.169 -12.191 1.421 236 HZ1 LYS 29 3HZ LYS 29 1.752 -14.527 2.198 237 HZ2 LYS 29 1HZ LYS 29 0.901 -13.941 3.460 238 HZ3 LYS 29 2HZ LYS 29 2.511 -13.648 3.380 239 H LYS 30 H LYS 30 6.185 -9.732 2.556 240 HA LYS 30 HA LYS 30 5.658 -6.882 2.070 241 HB2 LYS 30 1HB LYS 30 7.971 -8.371 2.007 242 HB3 LYS 30 2HB LYS 30 7.604 -8.193 0.293 243 HG2 LYS 30 1HG LYS 30 7.864 -5.968 2.350 244 HG3 LYS 30 2HG LYS 30 9.101 -6.421 1.192 245 HD2 LYS 30 1HD LYS 30 6.367 -5.443 0.319 246 HD3 LYS 30 2HD LYS 30 7.644 -4.327 0.748 247 HE2 LYS 30 1HE LYS 30 8.018 -6.475 -1.367 248 HE3 LYS 30 2HE LYS 30 7.297 -4.901 -1.725 249 HZ1 LYS 30 3HZ LYS 30 9.282 -3.843 -0.853 250 HZ2 LYS 30 1HZ LYS 30 9.594 -4.769 -2.158 251 HZ3 LYS 30 2HZ LYS 30 10.017 -5.322 -0.669 252 H TYR 31 H TYR 31 3.893 -9.491 0.963 253 HA TYR 31 HA TYR 31 3.341 -8.192 -1.618 254 HB2 TYR 31 1HB TYR 31 3.959 -10.248 -2.835 255 HB3 TYR 31 2HB TYR 31 5.310 -9.427 -2.015 256 HD1 TYR 31 2HD TYR 31 2.988 -12.405 -1.753 257 HD2 TYR 31 1HD TYR 31 6.629 -10.541 -0.376 258 HE1 TYR 31 2HE TYR 31 3.466 -14.385 -0.355 259 HE2 TYR 31 1HE TYR 31 7.117 -12.546 1.003 260 HH TYR 31 HH TYR 31 5.117 -15.447 1.079 261 H LEU 32 H LEU 32 1.376 -8.962 -2.525 262 HA LEU 32 HA LEU 32 -0.413 -10.397 -0.653 263 HB2 LEU 32 1HB LEU 32 -0.628 -7.529 -1.552 264 HB3 LEU 32 2HB LEU 32 -2.096 -8.512 -1.620 265 HG LEU 32 HG LEU 32 -0.487 -8.117 0.866 266 HD11 LEU 32 1HD1 LEU 32 -1.862 -6.096 -0.169 267 HD12 LEU 32 2HD1 LEU 32 -1.850 -6.434 1.578 268 HD13 LEU 32 3HD1 LEU 32 -3.212 -6.968 0.606 269 HD21 LEU 32 3HD2 LEU 32 -2.511 -8.965 2.038 270 HD22 LEU 32 1HD2 LEU 32 -1.626 -10.151 1.113 271 HD23 LEU 32 2HD2 LEU 32 -3.147 -9.460 0.465 272 H SER 33 H SER 33 -0.498 -12.197 -1.903 273 HA SER 33 HA SER 33 -0.776 -12.363 -4.684 274 HB2 SER 33 1HB SER 33 -2.020 -14.329 -2.750 275 HB3 SER 33 2HB SER 33 -1.098 -14.637 -4.228 276 HG SER 33 HG SER 33 0.219 -15.143 -2.631 277 H LEU 34 H LEU 34 -2.887 -13.430 -5.694 278 HA LEU 34 HA LEU 34 -4.949 -11.533 -5.504 279 HB2 LEU 34 1HB LEU 34 -4.706 -14.270 -6.772 280 HB3 LEU 34 2HB LEU 34 -6.284 -13.513 -6.675 281 HG LEU 34 HG LEU 34 -5.195 -13.122 -8.828 282 HD11 LEU 34 1HD1 LEU 34 -5.720 -10.804 -9.083 283 HD12 LEU 34 2HD1 LEU 34 -5.477 -10.476 -7.359 284 HD13 LEU 34 3HD1 LEU 34 -6.848 -11.475 -7.883 285 HD21 LEU 34 3HD2 LEU 34 -3.176 -11.407 -7.327 286 HD22 LEU 34 1HD2 LEU 34 -3.304 -11.604 -9.085 287 HD23 LEU 34 2HD2 LEU 34 -2.846 -13.000 -8.086 288 H THR 35 H THR 35 -4.908 -14.868 -4.019 289 HA THR 35 HA THR 35 -7.408 -14.752 -2.796 290 HB THR 35 HB THR 35 -4.951 -16.017 -1.538 291 HG1 THR 35 1HG THR 35 -5.046 -17.663 -2.935 292 HG21 THR 35 3HG2 THR 35 -7.113 -16.317 -0.371 293 HG22 THR 35 1HG2 THR 35 -6.491 -17.853 -0.997 294 HG23 THR 35 2HG2 THR 35 -7.818 -17.018 -1.845 295 H GLU 36 H GLU 36 -4.341 -13.300 -1.859 296 HA GLU 36 HA GLU 36 -5.055 -12.882 0.946 297 HB2 GLU 36 1HB GLU 36 -2.746 -11.763 -0.675 298 HB3 GLU 36 2HB GLU 36 -2.877 -11.863 1.069 299 HG2 GLU 36 1HG GLU 36 -2.829 -14.420 -0.542 300 HG3 GLU 36 2HG GLU 36 -1.361 -13.491 -0.266 301 H ARG 37 H ARG 37 -4.681 -10.980 -2.082 302 HA ARG 37 HA ARG 37 -5.244 -8.454 -0.980 303 HB2 ARG 37 1HB ARG 37 -5.210 -9.606 -3.740 304 HB3 ARG 37 2HB ARG 37 -6.329 -8.282 -3.548 305 HG2 ARG 37 1HG ARG 37 -3.347 -8.221 -3.300 306 HG3 ARG 37 2HG ARG 37 -4.409 -7.246 -4.259 307 HD2 ARG 37 1HD ARG 37 -3.629 -6.871 -1.445 308 HD3 ARG 37 2HD ARG 37 -3.799 -5.670 -2.722 309 HE ARG 37 HE ARG 37 -6.345 -6.618 -2.259 310 HH11 ARG 37 1HH1 ARG 37 -4.034 -4.856 -0.318 311 HH12 ARG 37 2HH1 ARG 37 -5.087 -4.581 1.026 312 HH21 ARG 37 1HH2 ARG 37 -7.781 -6.207 -0.667 313 HH22 ARG 37 2HH2 ARG 37 -7.454 -5.075 0.620 314 H SER 38 H SER 38 -7.428 -11.115 -2.050 315 HA SER 38 HA SER 38 -9.800 -9.473 -1.982 316 HB2 SER 38 1HB SER 38 -10.912 -11.720 -2.300 317 HB3 SER 38 2HB SER 38 -9.771 -11.207 -3.544 318 HG SER 38 HG SER 38 -9.237 -13.262 -3.148 319 H GLN 39 H GLN 39 -7.859 -10.832 0.571 320 HA GLN 39 HA GLN 39 -10.030 -11.384 2.380 321 HB2 GLN 39 1HB GLN 39 -7.154 -10.652 2.978 322 HB3 GLN 39 2HB GLN 39 -8.351 -11.201 4.149 323 HG2 GLN 39 1HG GLN 39 -8.525 -13.325 2.659 324 HG3 GLN 39 2HG GLN 39 -7.070 -12.732 1.877 325 HE21 GLN 39 1HE2 GLN 39 -6.374 -15.013 2.795 326 HE22 GLN 39 2HE2 GLN 39 -5.672 -14.958 4.387 327 H ILE 40 H ILE 40 -7.678 -8.622 2.605 328 HA ILE 40 HA ILE 40 -9.320 -6.987 4.134 329 HB ILE 40 HB ILE 40 -7.213 -6.277 2.147 330 HG12 ILE 40 1HG1 ILE 40 -6.847 -5.379 4.947 331 HG13 ILE 40 2HG1 ILE 40 -6.974 -7.147 4.765 332 HG21 ILE 40 1HG2 ILE 40 -8.775 -4.308 3.865 333 HG22 ILE 40 2HG2 ILE 40 -7.198 -3.935 3.211 334 HG23 ILE 40 3HG2 ILE 40 -8.560 -4.232 2.106 335 HD11 ILE 40 3HD1 ILE 40 -5.138 -5.429 3.052 336 HD12 ILE 40 1HD1 ILE 40 -4.656 -6.242 4.544 337 HD13 ILE 40 2HD1 ILE 40 -5.191 -7.190 3.136 338 H ALA 41 H ALA 41 -9.367 -7.202 0.498 339 HA ALA 41 HA ALA 41 -11.050 -5.001 0.122 340 HB1 ALA 41 1HB ALA 41 -11.582 -5.983 -2.051 341 HB2 ALA 41 2HB ALA 41 -9.848 -6.136 -1.704 342 HB3 ALA 41 3HB ALA 41 -10.923 -7.542 -1.529 343 H HIS 42 H HIS 42 -11.871 -8.335 1.039 344 HA HIS 42 HA HIS 42 -14.753 -7.807 1.057 345 HB2 HIS 42 1HB HIS 42 -13.602 -9.838 0.060 346 HB3 HIS 42 2HB HIS 42 -13.145 -10.310 1.685 347 HD1 HIS 42 1HD HIS 42 -14.628 -12.472 0.358 348 HD2 HIS 42 2HD HIS 42 -16.655 -9.167 2.037 349 HE1 HIS 42 1HE HIS 42 -17.047 -13.193 0.687 350 H ALA 43 H ALA 43 -12.297 -7.036 3.253 351 HA ALA 43 HA ALA 43 -13.390 -8.378 5.617 352 HB1 ALA 43 1HB ALA 43 -10.911 -8.213 5.363 353 HB2 ALA 43 2HB ALA 43 -11.059 -6.432 5.258 354 HB3 ALA 43 3HB ALA 43 -11.469 -7.259 6.740 355 H LEU 44 H LEU 44 -13.373 -5.333 3.875 356 HA LEU 44 HA LEU 44 -14.902 -4.148 6.141 357 HB2 LEU 44 1HB LEU 44 -13.007 -2.708 4.313 358 HB3 LEU 44 2HB LEU 44 -13.987 -1.987 5.570 359 HG LEU 44 HG LEU 44 -12.383 -4.088 6.750 360 HD11 LEU 44 1HD1 LEU 44 -10.877 -3.810 4.815 361 HD12 LEU 44 2HD1 LEU 44 -10.126 -3.304 6.317 362 HD13 LEU 44 3HD1 LEU 44 -10.732 -2.077 5.188 363 HD21 LEU 44 3HD2 LEU 44 -13.398 -2.170 7.877 364 HD22 LEU 44 1HD2 LEU 44 -12.214 -1.103 7.091 365 HD23 LEU 44 2HD2 LEU 44 -11.660 -2.354 8.216 366 H LYS 45 H LYS 45 -14.434 -2.642 3.011 367 HA LYS 45 HA LYS 45 -17.114 -3.282 1.993 368 HB2 LYS 45 1HB LYS 45 -16.286 -0.466 2.862 369 HB3 LYS 45 2HB LYS 45 -17.722 -0.870 1.941 370 HG2 LYS 45 1HG LYS 45 -18.708 -0.732 3.883 371 HG3 LYS 45 2HG LYS 45 -18.107 -2.352 4.190 372 HD2 LYS 45 1HD LYS 45 -16.225 -1.437 5.549 373 HD3 LYS 45 2HD LYS 45 -16.583 0.193 4.930 374 HE2 LYS 45 1HE LYS 45 -17.538 0.307 6.977 375 HE3 LYS 45 2HE LYS 45 -18.853 -0.046 5.837 376 HZ1 LYS 45 3HZ LYS 45 -18.647 -2.433 6.624 377 HZ2 LYS 45 1HZ LYS 45 -18.998 -1.397 7.858 378 HZ3 LYS 45 2HZ LYS 45 -17.509 -1.949 7.691 379 H LEU 46 H LEU 46 -14.080 -3.386 1.064 380 HA LEU 46 HA LEU 46 -13.949 -1.033 -0.728 381 HB2 LEU 46 1HB LEU 46 -11.867 -3.105 0.052 382 HB3 LEU 46 2HB LEU 46 -11.595 -1.875 -1.158 383 HG LEU 46 HG LEU 46 -12.077 -0.095 0.609 384 HD11 LEU 46 1HD1 LEU 46 -11.543 -0.985 2.955 385 HD12 LEU 46 2HD1 LEU 46 -11.887 -2.597 2.325 386 HD13 LEU 46 3HD1 LEU 46 -13.153 -1.330 2.324 387 HD21 LEU 46 3HD2 LEU 46 -9.787 -0.775 -0.187 388 HD22 LEU 46 1HD2 LEU 46 -9.699 -1.895 1.187 389 HD23 LEU 46 2HD2 LEU 46 -9.869 -0.138 1.451 390 H SER 47 H SER 47 -12.748 -1.558 -2.906 391 HA SER 47 HA SER 47 -14.350 -3.612 -4.327 392 HB2 SER 47 1HB SER 47 -13.324 -1.261 -5.806 393 HB3 SER 47 2HB SER 47 -14.880 -2.074 -5.891 394 HG SER 47 HG SER 47 -15.493 -0.978 -3.987 395 H GLU 48 H GLU 48 -12.947 -5.287 -4.918 396 HA GLU 48 HA GLU 48 -10.151 -5.195 -5.074 397 HB2 GLU 48 1HB GLU 48 -12.181 -6.903 -6.550 398 HB3 GLU 48 2HB GLU 48 -10.439 -7.134 -6.721 399 HG2 GLU 48 1HG GLU 48 -10.231 -7.529 -4.277 400 HG3 GLU 48 2HG GLU 48 -11.997 -7.387 -4.132 401 H VAL 49 H VAL 49 -12.441 -3.926 -7.458 402 HA VAL 49 HA VAL 49 -10.641 -3.729 -9.684 403 HB VAL 49 HB VAL 49 -12.927 -1.887 -8.827 404 HG11 VAL 49 1HG1 VAL 49 -12.893 -1.252 -11.298 405 HG12 VAL 49 2HG1 VAL 49 -11.497 -0.689 -10.380 406 HG13 VAL 49 3HG1 VAL 49 -11.325 -2.095 -11.420 407 HG21 VAL 49 3HG2 VAL 49 -13.689 -4.207 -9.258 408 HG22 VAL 49 1HG2 VAL 49 -14.224 -3.115 -10.525 409 HG23 VAL 49 2HG2 VAL 49 -12.838 -4.179 -10.823 410 H GLN 50 H GLN 50 -11.363 -1.445 -6.975 411 HA GLN 50 HA GLN 50 -9.503 0.503 -7.796 412 HB2 GLN 50 1HB GLN 50 -11.504 0.284 -5.878 413 HB3 GLN 50 2HB GLN 50 -10.053 0.212 -4.899 414 HG2 GLN 50 1HG GLN 50 -10.780 2.407 -6.863 415 HG3 GLN 50 2HG GLN 50 -10.907 2.499 -5.101 416 HE21 GLN 50 1HE2 GLN 50 -8.597 1.788 -4.036 417 HE22 GLN 50 2HE2 GLN 50 -7.198 2.498 -4.863 418 H VAL 51 H VAL 51 -9.150 -2.426 -5.753 419 HA VAL 51 HA VAL 51 -6.668 -1.827 -4.576 420 HB VAL 51 HB VAL 51 -7.817 -4.501 -5.444 421 HG11 VAL 51 1HG1 VAL 51 -5.318 -4.605 -4.973 422 HG12 VAL 51 2HG1 VAL 51 -5.681 -4.063 -3.318 423 HG13 VAL 51 3HG1 VAL 51 -6.342 -5.606 -3.966 424 HG21 VAL 51 3HG2 VAL 51 -9.260 -3.321 -3.780 425 HG22 VAL 51 1HG2 VAL 51 -8.488 -4.733 -3.047 426 HG23 VAL 51 2HG2 VAL 51 -7.861 -3.109 -2.719 427 H LYS 52 H LYS 52 -7.376 -3.058 -7.868 428 HA LYS 52 HA LYS 52 -4.810 -3.657 -8.782 429 HB2 LYS 52 1HB LYS 52 -7.098 -3.886 -9.953 430 HB3 LYS 52 2HB LYS 52 -6.938 -2.183 -10.393 431 HG2 LYS 52 1HG LYS 52 -4.737 -2.786 -11.507 432 HG3 LYS 52 2HG LYS 52 -5.143 -4.484 -11.244 433 HD2 LYS 52 1HD LYS 52 -6.874 -2.496 -12.800 434 HD3 LYS 52 2HD LYS 52 -5.667 -3.568 -13.530 435 HE2 LYS 52 1HE LYS 52 -7.066 -5.495 -12.419 436 HE3 LYS 52 2HE LYS 52 -8.331 -4.261 -12.267 437 HZ1 LYS 52 3HZ LYS 52 -7.874 -3.940 -14.801 438 HZ2 LYS 52 1HZ LYS 52 -8.710 -5.274 -14.351 439 HZ3 LYS 52 2HZ LYS 52 -7.133 -5.381 -14.720 440 H ILE 53 H ILE 53 -6.385 -0.442 -8.681 441 HA ILE 53 HA ILE 53 -3.983 0.907 -9.733 442 HB ILE 53 HB ILE 53 -6.606 1.986 -8.693 443 HG12 ILE 53 1HG1 ILE 53 -6.582 2.365 -11.499 444 HG13 ILE 53 2HG1 ILE 53 -5.865 0.767 -11.307 445 HG21 ILE 53 1HG2 ILE 53 -6.096 4.036 -9.994 446 HG22 ILE 53 2HG2 ILE 53 -4.953 3.776 -8.684 447 HG23 ILE 53 3HG2 ILE 53 -4.462 3.383 -10.346 448 HD11 ILE 53 3HD1 ILE 53 -8.262 0.546 -11.555 449 HD12 ILE 53 1HD1 ILE 53 -7.854 0.134 -9.885 450 HD13 ILE 53 2HD1 ILE 53 -8.545 1.726 -10.245 451 H TRP 54 H TRP 54 -5.377 0.150 -6.574 452 HA TRP 54 HA TRP 54 -4.240 2.287 -5.126 453 HB2 TRP 54 1HB TRP 54 -5.905 0.493 -4.380 454 HB3 TRP 54 2HB TRP 54 -4.518 -0.550 -4.097 455 HD1 TRP 54 HD TRP 54 -6.136 2.731 -2.838 456 HE1 TRP 54 1HE TRP 54 -5.393 3.207 -0.483 457 HE3 TRP 54 3HE TRP 54 -2.685 -0.998 -2.413 458 HZ2 TRP 54 2HZ TRP 54 -3.394 2.125 1.405 459 HZ3 TRP 54 3HZ TRP 54 -1.353 -1.233 -0.299 460 HH2 TRP 54 HH TRP 54 -1.717 0.319 1.586 461 H PHE 55 H PHE 55 -2.845 -0.753 -6.279 462 HA PHE 55 HA PHE 55 -0.191 -0.482 -5.105 463 HB2 PHE 55 1HB PHE 55 -1.052 -1.832 -7.694 464 HB3 PHE 55 2HB PHE 55 0.473 -2.062 -6.876 465 HD1 PHE 55 1HD PHE 55 -0.052 -2.660 -4.109 466 HD2 PHE 55 2HD PHE 55 -2.311 -3.766 -7.619 467 HE1 PHE 55 1HE PHE 55 -0.722 -4.771 -3.020 468 HE2 PHE 55 2HE PHE 55 -2.957 -5.871 -6.534 469 HZ PHE 55 HZ PHE 55 -2.116 -6.413 -4.244 470 H GLN 56 H GLN 56 -1.673 1.226 -7.864 471 HA GLN 56 HA GLN 56 0.816 1.777 -9.174 472 HB2 GLN 56 1HB GLN 56 -1.977 2.506 -9.578 473 HB3 GLN 56 2HB GLN 56 -0.994 3.933 -9.655 474 HG2 GLN 56 1HG GLN 56 -0.647 3.448 -11.785 475 HG3 GLN 56 2HG GLN 56 0.450 2.179 -11.277 476 HE21 GLN 56 1HE2 GLN 56 -0.645 -0.035 -10.735 477 HE22 GLN 56 2HE2 GLN 56 -2.029 -0.430 -11.713 478 H ASN 57 H ASN 57 -0.386 2.788 -6.147 479 HA ASN 57 HA ASN 57 1.110 5.344 -6.112 480 HB2 ASN 57 1HB ASN 57 -0.522 3.956 -3.958 481 HB3 ASN 57 2HB ASN 57 0.146 5.585 -3.884 482 HD21 ASN 57 1HD2 ASN 57 -2.478 3.635 -5.179 483 HD22 ASN 57 2HD2 ASN 57 -3.414 4.962 -5.801 484 H ARG 58 H ARG 58 1.736 1.996 -5.357 485 HA ARG 58 HA ARG 58 3.225 2.492 -2.978 486 HB2 ARG 58 1HB ARG 58 3.705 0.213 -2.939 487 HB3 ARG 58 2HB ARG 58 2.068 0.388 -3.421 488 HG2 ARG 58 1HG ARG 58 2.382 -0.859 -5.219 489 HG3 ARG 58 2HG ARG 58 3.716 0.140 -5.810 490 HD2 ARG 58 1HD ARG 58 4.070 -1.934 -3.600 491 HD3 ARG 58 2HD ARG 58 4.074 -2.360 -5.308 492 HE ARG 58 HE ARG 58 5.938 -0.265 -4.397 493 HH11 ARG 58 1HH1 ARG 58 5.442 -3.655 -5.413 494 HH12 ARG 58 2HH1 ARG 58 7.093 -3.995 -5.715 495 HH21 ARG 58 1HH2 ARG 58 8.211 -0.678 -4.976 496 HH22 ARG 58 2HH2 ARG 58 8.645 -2.227 -5.574 497 H ARG 59 H ARG 59 4.251 3.712 -5.541 498 HA ARG 59 HA ARG 59 7.125 2.973 -5.143 499 HB2 ARG 59 1HB ARG 59 6.054 4.055 -7.747 500 HB3 ARG 59 2HB ARG 59 7.668 3.427 -7.389 501 HG2 ARG 59 1HG ARG 59 6.698 1.133 -7.119 502 HG3 ARG 59 2HG ARG 59 5.111 1.798 -7.564 503 HD2 ARG 59 1HD ARG 59 6.398 2.731 -9.678 504 HD3 ARG 59 2HD ARG 59 7.628 1.540 -9.258 505 HE ARG 59 HE ARG 59 4.732 0.893 -9.805 506 HH11 ARG 59 1HH1 ARG 59 8.188 0.064 -10.549 507 HH12 ARG 59 2HH1 ARG 59 7.705 -1.299 -11.448 508 HH21 ARG 59 1HH2 ARG 59 4.237 -0.705 -11.148 509 HH22 ARG 59 2HH2 ARG 59 5.434 -1.785 -11.845 510 H ALA 60 H ALA 60 4.819 5.471 -4.809 511 HA ALA 60 HA ALA 60 6.345 7.698 -5.749 512 HB1 ALA 60 1HB ALA 60 4.042 7.517 -3.747 513 HB2 ALA 60 2HB ALA 60 4.661 9.017 -4.466 514 HB3 ALA 60 3HB ALA 60 3.900 7.791 -5.496 515 H LYS 61 H LYS 61 5.858 6.253 -2.576 516 HA LYS 61 HA LYS 61 6.768 8.008 -0.839 517 HB2 LYS 61 1HB LYS 61 5.868 5.732 -0.395 518 HB3 LYS 61 2HB LYS 61 7.410 5.034 -0.838 519 HG2 LYS 61 1HG LYS 61 8.109 6.870 1.194 520 HG3 LYS 61 2HG LYS 61 6.479 6.410 1.655 521 HD2 LYS 61 1HD LYS 61 7.616 3.926 1.164 522 HD3 LYS 61 2HD LYS 61 9.018 4.865 1.638 523 HE2 LYS 61 1HE LYS 61 8.202 3.824 3.608 524 HE3 LYS 61 2HE LYS 61 7.810 5.542 3.757 525 HZ1 LYS 61 3HZ LYS 61 5.538 5.060 3.331 526 HZ2 LYS 61 1HZ LYS 61 6.016 3.931 4.384 527 HZ3 LYS 61 2HZ LYS 61 5.871 3.515 2.810 528 H TRP 62 H TRP 62 9.195 5.599 -2.118 529 HA TRP 62 HA TRP 62 11.362 7.197 -1.035 530 HB2 TRP 62 1HB TRP 62 11.787 5.154 -3.183 531 HB3 TRP 62 2HB TRP 62 12.821 5.586 -1.829 532 HD1 TRP 62 HD TRP 62 11.965 4.608 0.650 533 HE1 TRP 62 1HE TRP 62 10.626 2.510 1.234 534 HE3 TRP 62 3HE TRP 62 10.087 3.549 -3.989 535 HZ2 TRP 62 2HZ TRP 62 8.612 0.875 -0.071 536 HZ3 TRP 62 3HZ TRP 62 8.475 1.718 -4.291 537 HH2 TRP 62 HH TRP 62 7.626 0.451 -2.330 538 H LYS 63 H LYS 63 9.635 7.325 -4.158 539 HA LYS 63 HA LYS 63 11.839 8.670 -5.505 540 HB2 LYS 63 1HB LYS 63 9.066 7.773 -6.188 541 HB3 LYS 63 2HB LYS 63 9.578 9.271 -6.956 542 HG2 LYS 63 1HG LYS 63 10.250 7.526 -8.439 543 HG3 LYS 63 2HG LYS 63 11.689 8.189 -7.673 544 HD2 LYS 63 1HD LYS 63 11.436 6.144 -6.002 545 HD3 LYS 63 2HD LYS 63 10.354 5.496 -7.252 546 HE2 LYS 63 1HE LYS 63 12.256 6.063 -8.919 547 HE3 LYS 63 2HE LYS 63 13.267 6.383 -7.504 548 HZ1 LYS 63 3HZ LYS 63 12.642 4.015 -6.831 549 HZ2 LYS 63 1HZ LYS 63 13.691 4.225 -8.086 550 HZ3 LYS 63 2HZ LYS 63 12.131 3.846 -8.409 551 H ARG 64 H ARG 64 9.111 9.750 -3.486 552 HA ARG 64 HA ARG 64 9.276 12.454 -3.916 553 HB2 ARG 64 1HB ARG 64 8.015 10.761 -2.201 554 HB3 ARG 64 2HB ARG 64 9.237 11.357 -1.085 555 HG2 ARG 64 1HG ARG 64 7.835 13.461 -2.672 556 HG3 ARG 64 2HG ARG 64 6.776 12.440 -1.711 557 HD2 ARG 64 1HD ARG 64 9.210 13.921 -0.595 558 HD3 ARG 64 2HD ARG 64 7.565 14.563 -0.548 559 HE ARG 64 HE ARG 64 8.727 12.613 1.224 560 HH11 ARG 64 1HH1 ARG 64 5.557 13.602 -0.146 561 HH12 ARG 64 2HH1 ARG 64 4.697 12.968 1.223 562 HH21 ARG 64 1HH2 ARG 64 7.562 11.815 2.888 563 HH22 ARG 64 2HH2 ARG 64 5.819 11.974 2.977 564 H ILE 65 H ILE 65 11.452 10.434 -1.940 565 HA ILE 65 HA ILE 65 13.155 12.707 -1.225 566 HB ILE 65 HB ILE 65 13.310 9.718 -0.623 567 HG12 ILE 65 1HG1 ILE 65 12.251 12.148 0.887 568 HG13 ILE 65 2HG1 ILE 65 11.376 10.699 0.409 569 HG21 ILE 65 1HG2 ILE 65 15.574 10.781 -0.587 570 HG22 ILE 65 2HG2 ILE 65 14.979 11.974 0.573 571 HG23 ILE 65 3HG2 ILE 65 15.060 10.252 1.000 572 HD11 ILE 65 3HD1 ILE 65 13.456 10.915 2.597 573 HD12 ILE 65 1HD1 ILE 65 11.725 10.639 2.772 574 HD13 ILE 65 2HD1 ILE 65 12.735 9.374 2.040 575 H LYS 66 H LYS 66 13.579 9.619 -2.980 576 HA LYS 66 HA LYS 66 16.031 10.416 -4.292 577 HB2 LYS 66 1HB LYS 66 15.187 8.071 -3.426 578 HB3 LYS 66 2HB LYS 66 14.333 7.972 -4.942 579 HG2 LYS 66 1HG LYS 66 17.231 8.743 -5.178 580 HG3 LYS 66 2HG LYS 66 16.920 7.168 -4.460 581 HD2 LYS 66 1HD LYS 66 15.528 6.543 -6.452 582 HD3 LYS 66 2HD LYS 66 15.944 8.092 -7.194 583 HE2 LYS 66 1HE LYS 66 17.316 6.260 -8.082 584 HE3 LYS 66 2HE LYS 66 18.298 7.509 -7.306 585 HZ1 LYS 66 3HZ LYS 66 18.941 5.204 -6.717 586 HZ2 LYS 66 1HZ LYS 66 17.524 5.012 -5.887 587 HZ3 LYS 66 2HZ LYS 66 18.638 6.148 -5.463 588 H ALA 67 H ALA 67 14.341 12.344 -4.841 589 HA ALA 67 HA ALA 67 13.099 12.114 -7.490 590 HB1 ALA 67 1HB ALA 67 12.732 14.517 -7.170 591 HB2 ALA 67 2HB ALA 67 12.212 13.652 -5.719 592 HB3 ALA 67 3HB ALA 67 13.748 14.514 -5.716 593 H GLY 68 H GLY 68 14.666 11.643 -9.072 594 HA2 GLY 68 1HA GLY 68 17.054 13.243 -9.388 595 HA3 GLY 68 2HA GLY 68 17.376 11.627 -8.727 596 H ASN 69 H ASN 69 18.530 11.910 -11.081 597 HA ASN 69 HA ASN 69 16.692 10.862 -13.189 598 HB2 ASN 69 1HB ASN 69 18.428 13.333 -13.177 599 HB3 ASN 69 2HB ASN 69 18.157 12.512 -14.686 600 HD21 ASN 69 1HD2 ASN 69 16.071 12.579 -15.687 601 HD22 ASN 69 2HD2 ASN 69 14.769 13.560 -15.026 602 H VAL 70 H VAL 70 18.362 10.554 -15.242 603 HA VAL 70 HA VAL 70 20.606 8.829 -14.324 604 HB VAL 70 HB VAL 70 18.694 8.237 -16.633 605 HG11 VAL 70 1HG1 VAL 70 19.696 5.971 -16.561 606 HG12 VAL 70 2HG1 VAL 70 20.884 7.194 -16.955 607 HG13 VAL 70 3HG1 VAL 70 20.839 6.523 -15.317 608 HG21 VAL 70 3HG2 VAL 70 18.683 7.141 -13.809 609 HG22 VAL 70 1HG2 VAL 70 17.356 7.921 -14.689 610 HG23 VAL 70 2HG2 VAL 70 17.911 6.324 -15.181 611 H SER 71 H SER 71 22.368 8.801 -15.828 612 HA SER 71 HA SER 71 22.535 11.014 -17.777 613 HB2 SER 71 1HB SER 71 24.539 10.429 -16.370 614 HB3 SER 71 2HB SER 71 24.568 8.834 -17.141 615 HG SER 71 HG SER 71 25.462 9.724 -18.823 Start of MODEL 2 1 H1 SER 1 H SER 1 8.297 2.572 -21.824 2 HA SER 1 HA SER 1 10.568 3.146 -21.112 3 HB2 SER 1 1HB SER 1 11.223 2.116 -23.621 4 HB3 SER 1 2HB SER 1 11.485 3.851 -23.818 5 HG SER 1 HG SER 1 12.619 2.050 -21.943 6 H ALA 2 H ALA 2 8.761 4.430 -23.949 7 HA ALA 2 HA ALA 2 9.458 7.168 -23.286 8 HB1 ALA 2 1HB ALA 2 9.951 6.147 -25.473 9 HB2 ALA 2 2HB ALA 2 8.230 5.766 -25.705 10 HB3 ALA 2 3HB ALA 2 8.782 7.447 -25.671 11 HA PRO 3 HA PRO 3 5.198 6.627 -21.579 12 HB2 PRO 3 1HB PRO 3 5.077 8.704 -19.775 13 HB3 PRO 3 2HB PRO 3 5.952 7.174 -19.485 14 HG2 PRO 3 1HG PRO 3 7.091 9.796 -20.520 15 HG3 PRO 3 2HG PRO 3 7.697 8.792 -19.162 16 HD2 PRO 3 1HD PRO 3 8.789 8.566 -21.626 17 HD3 PRO 3 2HD PRO 3 8.464 7.115 -20.627 18 H GLY 4 H GLY 4 6.354 9.575 -23.158 19 HA2 GLY 4 1HA GLY 4 5.217 11.263 -24.228 20 HA3 GLY 4 2HA GLY 4 3.693 10.383 -24.031 21 H GLY 5 H GLY 5 2.872 12.596 -23.437 22 HA2 GLY 5 1HA GLY 5 3.539 13.729 -20.822 23 HA3 GLY 5 2HA GLY 5 2.183 14.155 -21.878 24 H LYS 6 H LYS 6 3.318 11.859 -19.414 25 HA LYS 6 HA LYS 6 0.455 11.207 -18.887 26 HB2 LYS 6 1HB LYS 6 2.681 9.199 -19.165 27 HB3 LYS 6 2HB LYS 6 1.323 8.918 -18.061 28 HG2 LYS 6 1HG LYS 6 -0.286 9.372 -19.906 29 HG3 LYS 6 2HG LYS 6 1.064 9.524 -21.040 30 HD2 LYS 6 1HD LYS 6 1.600 7.192 -20.838 31 HD3 LYS 6 2HD LYS 6 0.612 7.019 -19.386 32 HE2 LYS 6 1HE LYS 6 -0.523 6.011 -21.293 33 HE3 LYS 6 2HE LYS 6 -1.453 7.368 -20.648 34 HZ1 LYS 6 3HZ LYS 6 -1.291 7.271 -23.116 35 HZ2 LYS 6 1HZ LYS 6 0.299 7.545 -23.023 36 HZ3 LYS 6 2HZ LYS 6 -0.790 8.693 -22.505 37 H SER 7 H SER 7 0.156 12.666 -17.392 38 HA SER 7 HA SER 7 1.735 13.060 -15.031 39 HB2 SER 7 1HB SER 7 -0.738 13.988 -14.444 40 HB3 SER 7 2HB SER 7 0.407 14.886 -15.448 41 HG SER 7 HG SER 7 -1.746 14.662 -16.352 42 H ARG 8 H ARG 8 0.856 12.573 -12.868 43 HA ARG 8 HA ARG 8 -0.059 9.759 -12.741 44 HB2 ARG 8 1HB ARG 8 1.912 10.452 -11.455 45 HB3 ARG 8 2HB ARG 8 0.955 11.610 -10.526 46 HG2 ARG 8 1HG ARG 8 0.030 8.732 -10.643 47 HG3 ARG 8 2HG ARG 8 1.466 9.062 -9.719 48 HD2 ARG 8 1HD ARG 8 -1.196 10.477 -9.238 49 HD3 ARG 8 2HD ARG 8 -0.687 9.032 -8.380 50 HE ARG 8 HE ARG 8 0.046 11.722 -7.824 51 HH11 ARG 8 1HH1 ARG 8 1.430 8.429 -7.648 52 HH12 ARG 8 2HH1 ARG 8 2.753 8.958 -6.648 53 HH21 ARG 8 1HH2 ARG 8 1.698 12.311 -6.426 54 HH22 ARG 8 2HH2 ARG 8 2.730 11.141 -5.702 55 H ARG 9 H ARG 9 -2.157 9.314 -12.402 56 HA ARG 9 HA ARG 9 -3.926 11.350 -11.109 57 HB2 ARG 9 1HB ARG 9 -4.545 8.806 -12.662 58 HB3 ARG 9 2HB ARG 9 -5.763 9.878 -11.954 59 HG2 ARG 9 1HG ARG 9 -5.124 11.700 -13.435 60 HG3 ARG 9 2HG ARG 9 -3.756 10.764 -14.073 61 HD2 ARG 9 1HD ARG 9 -5.364 9.012 -14.857 62 HD3 ARG 9 2HD ARG 9 -6.693 10.068 -14.362 63 HE ARG 9 HE ARG 9 -5.773 11.789 -15.866 64 HH11 ARG 9 1HH1 ARG 9 -5.154 8.344 -16.654 65 HH12 ARG 9 2HH1 ARG 9 -4.449 8.689 -18.182 66 HH21 ARG 9 1HH2 ARG 9 -5.022 12.232 -17.949 67 HH22 ARG 9 2HH2 ARG 9 -4.500 10.963 -19.006 68 H ARG 10 H ARG 10 -5.341 10.631 -9.362 69 HA ARG 10 HA ARG 10 -4.598 8.099 -7.997 70 HB2 ARG 10 1HB ARG 10 -3.842 10.186 -6.862 71 HB3 ARG 10 2HB ARG 10 -5.518 10.751 -6.802 72 HG2 ARG 10 1HG ARG 10 -6.193 8.876 -5.432 73 HG3 ARG 10 2HG ARG 10 -4.619 8.096 -5.666 74 HD2 ARG 10 1HD ARG 10 -3.513 9.849 -4.334 75 HD3 ARG 10 2HD ARG 10 -4.986 10.798 -4.319 76 HE ARG 10 HE ARG 10 -5.768 9.622 -2.571 77 HH11 ARG 10 1HH1 ARG 10 -3.129 7.673 -3.921 78 HH12 ARG 10 2HH1 ARG 10 -3.285 6.393 -2.751 79 HH21 ARG 10 1HH2 ARG 10 -5.799 8.156 -0.918 80 HH22 ARG 10 2HH2 ARG 10 -4.649 6.858 -0.809 81 H ARG 11 H ARG 11 -6.135 6.992 -9.314 82 HA ARG 11 HA ARG 11 -8.974 7.675 -9.023 83 HB2 ARG 11 1HB ARG 11 -7.805 6.494 -11.033 84 HB3 ARG 11 2HB ARG 11 -7.746 5.071 -10.012 85 HG2 ARG 11 1HG ARG 11 -9.741 4.638 -11.066 86 HG3 ARG 11 2HG ARG 11 -10.385 5.598 -9.740 87 HD2 ARG 11 1HD ARG 11 -11.404 6.398 -11.764 88 HD3 ARG 11 2HD ARG 11 -10.286 7.632 -11.199 89 HE ARG 11 HE ARG 11 -9.145 7.445 -13.166 90 HH11 ARG 11 1HH1 ARG 11 -11.305 4.620 -13.067 91 HH12 ARG 11 2HH1 ARG 11 -10.583 3.921 -14.487 92 HH21 ARG 11 1HH2 ARG 11 -8.294 6.531 -15.034 93 HH22 ARG 11 2HH2 ARG 11 -8.899 5.023 -15.641 94 H THR 12 H THR 12 -7.999 7.747 -6.490 95 HA THR 12 HA THR 12 -9.001 5.221 -5.316 96 HB THR 12 HB THR 12 -6.881 6.939 -4.018 97 HG1 THR 12 1HG THR 12 -6.312 4.459 -5.232 98 HG21 THR 12 3HG2 THR 12 -8.040 5.611 -2.383 99 HG22 THR 12 1HG2 THR 12 -6.518 4.783 -2.708 100 HG23 THR 12 2HG2 THR 12 -8.043 4.191 -3.423 101 H ALA 13 H ALA 13 -10.458 5.383 -3.681 102 HA ALA 13 HA ALA 13 -10.739 7.829 -2.140 103 HB1 ALA 13 1HB ALA 13 -13.060 6.615 -3.717 104 HB2 ALA 13 2HB ALA 13 -13.221 7.830 -2.428 105 HB3 ALA 13 3HB ALA 13 -12.368 8.237 -3.937 106 H PHE 14 H PHE 14 -10.095 6.727 -0.312 107 HA PHE 14 HA PHE 14 -11.886 4.649 0.737 108 HB2 PHE 14 1HB PHE 14 -8.875 4.633 1.171 109 HB3 PHE 14 2HB PHE 14 -10.039 3.470 1.807 110 HD1 PHE 14 2HD PHE 14 -11.660 2.601 -0.362 111 HD2 PHE 14 1HD PHE 14 -7.467 3.520 -0.284 112 HE1 PHE 14 2HE PHE 14 -11.261 0.972 -2.190 113 HE2 PHE 14 1HE PHE 14 -7.059 1.982 -2.174 114 HZ PHE 14 HZ PHE 14 -8.936 0.632 -3.076 115 H THR 15 H THR 15 -10.522 4.604 3.230 116 HA THR 15 HA THR 15 -10.633 7.309 4.315 117 HB THR 15 HB THR 15 -12.313 6.713 5.971 118 HG1 THR 15 1HG THR 15 -13.375 4.680 5.821 119 HG21 THR 15 3HG2 THR 15 -13.438 5.771 3.284 120 HG22 THR 15 1HG2 THR 15 -13.216 7.480 3.745 121 HG23 THR 15 2HG2 THR 15 -14.340 6.455 4.647 122 H SER 16 H SER 16 -9.478 7.223 6.539 123 HA SER 16 HA SER 16 -7.426 5.249 6.634 124 HB2 SER 16 1HB SER 16 -8.262 7.552 8.167 125 HB3 SER 16 2HB SER 16 -7.778 6.237 9.258 126 HG SER 16 HG SER 16 -5.806 6.466 8.661 127 H GLU 17 H GLU 17 -10.683 5.217 7.884 128 HA GLU 17 HA GLU 17 -10.608 2.978 9.625 129 HB2 GLU 17 1HB GLU 17 -12.486 4.815 8.406 130 HB3 GLU 17 2HB GLU 17 -13.052 3.220 7.973 131 HG2 GLU 17 1HG GLU 17 -12.382 3.923 10.848 132 HG3 GLU 17 2HG GLU 17 -13.905 4.406 10.112 133 H GLN 18 H GLN 18 -10.345 3.165 6.167 134 HA GLN 18 HA GLN 18 -10.786 0.234 5.865 135 HB2 GLN 18 1HB GLN 18 -11.272 2.621 4.042 136 HB3 GLN 18 2HB GLN 18 -11.316 0.956 3.474 137 HG2 GLN 18 1HG GLN 18 -13.104 0.398 5.056 138 HG3 GLN 18 2HG GLN 18 -13.032 2.003 5.775 139 HE21 GLN 18 1HE2 GLN 18 -13.020 1.028 2.300 140 HE22 GLN 18 2HE2 GLN 18 -14.454 1.909 1.863 141 H LEU 19 H LEU 19 -8.352 2.434 6.145 142 HA LEU 19 HA LEU 19 -6.533 1.066 4.216 143 HB2 LEU 19 1HB LEU 19 -6.248 3.620 5.833 144 HB3 LEU 19 2HB LEU 19 -4.964 2.935 4.856 145 HG LEU 19 HG LEU 19 -7.643 3.736 3.644 146 HD11 LEU 19 1HD1 LEU 19 -6.599 5.732 4.683 147 HD12 LEU 19 2HD1 LEU 19 -6.641 5.824 2.926 148 HD13 LEU 19 3HD1 LEU 19 -5.117 5.422 3.748 149 HD21 LEU 19 3HD2 LEU 19 -6.172 3.908 1.572 150 HD22 LEU 19 1HD2 LEU 19 -6.626 2.303 2.158 151 HD23 LEU 19 2HD2 LEU 19 -4.995 2.933 2.480 152 H LEU 20 H LEU 20 -7.630 0.659 7.425 153 HA LEU 20 HA LEU 20 -5.216 0.890 8.828 154 HB2 LEU 20 1HB LEU 20 -7.906 0.786 9.387 155 HB3 LEU 20 2HB LEU 20 -7.450 -0.829 9.918 156 HG LEU 20 HG LEU 20 -6.038 1.720 10.738 157 HD11 LEU 20 1HD1 LEU 20 -7.308 1.586 12.862 158 HD12 LEU 20 2HD1 LEU 20 -8.244 0.234 12.215 159 HD13 LEU 20 3HD1 LEU 20 -8.373 1.838 11.466 160 HD21 LEU 20 3HD2 LEU 20 -5.205 0.348 12.658 161 HD22 LEU 20 1HD2 LEU 20 -4.671 -0.314 11.106 162 HD23 LEU 20 2HD2 LEU 20 -6.015 -1.075 11.981 163 H GLU 21 H GLU 21 -7.121 -1.914 7.983 164 HA GLU 21 HA GLU 21 -5.331 -3.976 8.835 165 HB2 GLU 21 1HB GLU 21 -7.606 -4.009 6.797 166 HB3 GLU 21 2HB GLU 21 -6.967 -5.399 7.637 167 HG2 GLU 21 1HG GLU 21 -8.337 -3.018 9.003 168 HG3 GLU 21 2HG GLU 21 -9.130 -4.478 8.548 169 H LEU 22 H LEU 22 -6.047 -2.348 5.871 170 HA LEU 22 HA LEU 22 -4.809 -4.013 3.958 171 HB2 LEU 22 1HB LEU 22 -6.563 -2.324 3.517 172 HB3 LEU 22 2HB LEU 22 -5.497 -1.056 4.094 173 HG LEU 22 HG LEU 22 -3.966 -1.373 2.271 174 HD11 LEU 22 1HD1 LEU 22 -4.313 -2.735 0.371 175 HD12 LEU 22 2HD1 LEU 22 -5.912 -3.279 0.895 176 HD13 LEU 22 3HD1 LEU 22 -4.436 -3.813 1.748 177 HD21 LEU 22 3HD2 LEU 22 -6.855 -0.966 1.463 178 HD22 LEU 22 1HD2 LEU 22 -5.408 -0.364 0.573 179 HD23 LEU 22 2HD2 LEU 22 -5.781 0.222 2.195 180 H GLU 23 H GLU 23 -3.551 -1.302 5.914 181 HA GLU 23 HA GLU 23 -0.887 -1.539 4.640 182 HB2 GLU 23 1HB GLU 23 -1.952 0.200 6.900 183 HB3 GLU 23 2HB GLU 23 -0.235 0.056 6.494 184 HG2 GLU 23 1HG GLU 23 -1.041 0.540 4.018 185 HG3 GLU 23 2HG GLU 23 -2.472 1.212 4.790 186 H LYS 24 H LYS 24 -2.546 -2.719 7.530 187 HA LYS 24 HA LYS 24 -0.255 -3.527 8.960 188 HB2 LYS 24 1HB LYS 24 -2.789 -3.562 9.664 189 HB3 LYS 24 2HB LYS 24 -2.886 -5.078 8.794 190 HG2 LYS 24 1HG LYS 24 -2.615 -5.911 10.847 191 HG3 LYS 24 2HG LYS 24 -0.915 -5.824 10.414 192 HD2 LYS 24 1HD LYS 24 -2.480 -3.731 12.013 193 HD3 LYS 24 2HD LYS 24 -1.474 -5.004 12.718 194 HE2 LYS 24 1HE LYS 24 0.510 -4.112 11.603 195 HE3 LYS 24 2HE LYS 24 -0.451 -2.805 10.873 196 HZ1 LYS 24 3HZ LYS 24 0.790 -2.179 12.901 197 HZ2 LYS 24 1HZ LYS 24 -0.152 -3.215 13.774 198 HZ3 LYS 24 2HZ LYS 24 -0.822 -1.923 13.023 199 H GLU 25 H GLU 25 -2.196 -5.151 6.502 200 HA GLU 25 HA GLU 25 -0.797 -7.531 6.125 201 HB2 GLU 25 1HB GLU 25 -2.750 -5.820 4.649 202 HB3 GLU 25 2HB GLU 25 -1.703 -6.718 3.576 203 HG2 GLU 25 1HG GLU 25 -3.682 -8.023 4.009 204 HG3 GLU 25 2HG GLU 25 -2.269 -8.818 4.700 205 H PHE 26 H PHE 26 0.119 -4.305 4.975 206 HA PHE 26 HA PHE 26 1.912 -5.459 2.962 207 HB2 PHE 26 1HB PHE 26 0.426 -3.177 3.026 208 HB3 PHE 26 2HB PHE 26 1.972 -2.525 3.534 209 HD1 PHE 26 1HD PHE 26 0.184 -4.446 0.897 210 HD2 PHE 26 2HD PHE 26 3.788 -2.329 1.903 211 HE1 PHE 26 1HE PHE 26 0.849 -4.458 -1.492 212 HE2 PHE 26 2HE PHE 26 4.488 -2.378 -0.499 213 HZ PHE 26 HZ PHE 26 3.001 -3.419 -2.197 214 H HIS 27 H HIS 27 2.268 -5.328 6.140 215 HA HIS 27 HA HIS 27 5.053 -4.260 6.157 216 HB2 HIS 27 1HB HIS 27 3.140 -3.419 7.692 217 HB3 HIS 27 2HB HIS 27 3.451 -4.891 8.612 218 HD1 HIS 27 1HD HIS 27 6.337 -5.089 9.267 219 HD2 HIS 27 2HD HIS 27 4.471 -1.378 8.454 220 HE1 HIS 27 1HE HIS 27 7.901 -3.297 10.119 221 H CYS 28 H CYS 28 3.164 -6.957 7.650 222 HA CYS 28 HA CYS 28 5.414 -8.430 8.510 223 HB2 CYS 28 1HB CYS 28 2.511 -9.238 7.952 224 HB3 CYS 28 2HB CYS 28 3.675 -10.193 8.884 225 HG CYS 28 HG CYS 28 1.941 -8.897 10.474 226 H LYS 29 H LYS 29 3.933 -8.239 5.361 227 HA LYS 29 HA LYS 29 5.554 -10.444 4.337 228 HB2 LYS 29 1HB LYS 29 3.506 -11.491 3.326 229 HB3 LYS 29 2HB LYS 29 3.762 -11.640 5.054 230 HG2 LYS 29 1HG LYS 29 1.625 -11.236 5.305 231 HG3 LYS 29 2HG LYS 29 2.056 -9.558 5.173 232 HD2 LYS 29 1HD LYS 29 0.126 -10.024 3.816 233 HD3 LYS 29 2HD LYS 29 1.472 -9.566 2.775 234 HE2 LYS 29 1HE LYS 29 0.116 -11.462 1.878 235 HE3 LYS 29 2HE LYS 29 1.817 -11.837 2.063 236 HZ1 LYS 29 3HZ LYS 29 0.259 -13.569 2.771 237 HZ2 LYS 29 1HZ LYS 29 -0.217 -12.663 4.049 238 HZ3 LYS 29 2HZ LYS 29 1.351 -13.189 3.932 239 H LYS 30 H LYS 30 6.356 -9.885 2.470 240 HA LYS 30 HA LYS 30 5.847 -7.149 1.684 241 HB2 LYS 30 1HB LYS 30 8.097 -8.640 2.097 242 HB3 LYS 30 2HB LYS 30 8.034 -8.715 0.352 243 HG2 LYS 30 1HG LYS 30 7.918 -6.118 1.992 244 HG3 LYS 30 2HG LYS 30 9.398 -6.854 1.382 245 HD2 LYS 30 1HD LYS 30 8.268 -6.767 -0.932 246 HD3 LYS 30 2HD LYS 30 7.165 -5.575 -0.206 247 HE2 LYS 30 1HE LYS 30 8.902 -4.023 0.151 248 HE3 LYS 30 2HE LYS 30 10.144 -5.282 0.122 249 HZ1 LYS 30 3HZ LYS 30 8.642 -4.396 -2.258 250 HZ2 LYS 30 1HZ LYS 30 9.753 -5.604 -2.204 251 HZ3 LYS 30 2HZ LYS 30 10.247 -4.080 -1.910 252 H TYR 31 H TYR 31 4.177 -9.679 0.591 253 HA TYR 31 HA TYR 31 3.525 -8.296 -1.847 254 HB2 TYR 31 1HB TYR 31 3.493 -10.454 -3.174 255 HB3 TYR 31 2HB TYR 31 5.077 -9.756 -2.904 256 HD1 TYR 31 1HD TYR 31 6.662 -10.747 -1.230 257 HD2 TYR 31 2HD TYR 31 2.938 -12.670 -2.287 258 HE1 TYR 31 1HE TYR 31 7.418 -12.806 -0.133 259 HE2 TYR 31 2HE TYR 31 3.757 -14.783 -1.283 260 HH TYR 31 HH TYR 31 7.052 -15.051 0.099 261 H LEU 32 H LEU 32 1.380 -8.577 -2.228 262 HA LEU 32 HA LEU 32 -0.195 -10.225 -0.326 263 HB2 LEU 32 1HB LEU 32 -0.388 -7.501 -0.937 264 HB3 LEU 32 2HB LEU 32 -1.550 -8.236 -2.041 265 HG LEU 32 HG LEU 32 -2.664 -9.332 -0.141 266 HD11 LEU 32 1HD1 LEU 32 -0.833 -9.528 1.518 267 HD12 LEU 32 2HD1 LEU 32 -2.145 -8.581 2.181 268 HD13 LEU 32 3HD1 LEU 32 -0.682 -7.762 1.590 269 HD21 LEU 32 3HD2 LEU 32 -3.369 -7.125 -0.932 270 HD22 LEU 32 1HD2 LEU 32 -2.302 -6.337 0.251 271 HD23 LEU 32 2HD2 LEU 32 -3.677 -7.329 0.794 272 H SER 33 H SER 33 -0.653 -12.149 -1.235 273 HA SER 33 HA SER 33 -0.578 -12.436 -4.172 274 HB2 SER 33 1HB SER 33 -1.101 -14.639 -2.154 275 HB3 SER 33 2HB SER 33 -0.630 -14.755 -3.827 276 HG SER 33 HG SER 33 0.901 -14.655 -1.706 277 H LEU 34 H LEU 34 -2.530 -13.917 -4.907 278 HA LEU 34 HA LEU 34 -4.611 -12.130 -4.977 279 HB2 LEU 34 1HB LEU 34 -3.993 -14.454 -6.335 280 HB3 LEU 34 2HB LEU 34 -5.415 -14.961 -5.454 281 HG LEU 34 HG LEU 34 -6.007 -14.192 -7.663 282 HD11 LEU 34 1HD1 LEU 34 -7.719 -12.558 -7.266 283 HD12 LEU 34 2HD1 LEU 34 -6.911 -11.952 -5.811 284 HD13 LEU 34 3HD1 LEU 34 -7.621 -13.580 -5.829 285 HD21 LEU 34 3HD2 LEU 34 -4.779 -11.483 -7.029 286 HD22 LEU 34 1HD2 LEU 34 -5.597 -11.967 -8.519 287 HD23 LEU 34 2HD2 LEU 34 -4.064 -12.730 -8.072 288 H THR 35 H THR 35 -4.457 -15.018 -2.823 289 HA THR 35 HA THR 35 -7.136 -14.730 -1.900 290 HB THR 35 HB THR 35 -5.644 -16.754 -1.843 291 HG1 THR 35 1HG THR 35 -6.635 -17.567 -0.018 292 HG21 THR 35 3HG2 THR 35 -4.649 -15.630 0.785 293 HG22 THR 35 1HG2 THR 35 -3.688 -15.793 -0.709 294 HG23 THR 35 2HG2 THR 35 -4.307 -17.236 0.088 295 H GLU 36 H GLU 36 -4.013 -13.300 -0.698 296 HA GLU 36 HA GLU 36 -5.226 -12.181 1.667 297 HB2 GLU 36 1HB GLU 36 -2.647 -11.534 0.167 298 HB3 GLU 36 2HB GLU 36 -3.086 -10.811 1.681 299 HG2 GLU 36 1HG GLU 36 -2.002 -12.491 2.664 300 HG3 GLU 36 2HG GLU 36 -3.406 -13.492 2.315 301 H ARG 37 H ARG 37 -4.472 -11.027 -1.616 302 HA ARG 37 HA ARG 37 -5.239 -8.347 -1.107 303 HB2 ARG 37 1HB ARG 37 -3.776 -9.018 -2.934 304 HB3 ARG 37 2HB ARG 37 -5.067 -9.915 -3.730 305 HG2 ARG 37 1HG ARG 37 -5.511 -6.990 -3.114 306 HG3 ARG 37 2HG ARG 37 -4.374 -7.398 -4.382 307 HD2 ARG 37 1HD ARG 37 -6.884 -8.903 -4.659 308 HD3 ARG 37 2HD ARG 37 -7.130 -7.155 -4.694 309 HE ARG 37 HE ARG 37 -4.941 -7.586 -6.333 310 HH11 ARG 37 1HH1 ARG 37 -8.184 -8.982 -6.304 311 HH12 ARG 37 2HH1 ARG 37 -8.222 -9.357 -7.987 312 HH21 ARG 37 1HH2 ARG 37 -5.047 -7.740 -8.590 313 HH22 ARG 37 2HH2 ARG 37 -6.318 -8.666 -9.329 314 H SER 38 H SER 38 -7.146 -11.175 -1.961 315 HA SER 38 HA SER 38 -9.500 -9.517 -2.518 316 HB2 SER 38 1HB SER 38 -10.669 -11.746 -2.690 317 HB3 SER 38 2HB SER 38 -9.411 -11.381 -3.878 318 HG SER 38 HG SER 38 -7.997 -12.699 -2.873 319 H GLN 39 H GLN 39 -8.057 -10.806 0.382 320 HA GLN 39 HA GLN 39 -10.391 -11.139 1.974 321 HB2 GLN 39 1HB GLN 39 -7.579 -10.315 2.700 322 HB3 GLN 39 2HB GLN 39 -8.856 -10.526 3.875 323 HG2 GLN 39 1HG GLN 39 -8.814 -12.896 2.243 324 HG3 GLN 39 2HG GLN 39 -7.151 -12.510 2.626 325 HE21 GLN 39 1HE2 GLN 39 -6.734 -14.158 4.178 326 HE22 GLN 39 2HE2 GLN 39 -7.584 -14.198 5.726 327 H ILE 40 H ILE 40 -8.241 -8.301 1.792 328 HA ILE 40 HA ILE 40 -9.761 -6.546 3.310 329 HB ILE 40 HB ILE 40 -7.999 -5.964 0.905 330 HG12 ILE 40 1HG1 ILE 40 -6.872 -4.893 3.307 331 HG13 ILE 40 2HG1 ILE 40 -7.498 -6.457 3.776 332 HG21 ILE 40 1HG2 ILE 40 -9.448 -4.061 1.057 333 HG22 ILE 40 2HG2 ILE 40 -9.248 -3.965 2.822 334 HG23 ILE 40 3HG2 ILE 40 -7.894 -3.595 1.745 335 HD11 ILE 40 3HD1 ILE 40 -5.147 -6.553 2.991 336 HD12 ILE 40 1HD1 ILE 40 -6.207 -7.524 1.943 337 HD13 ILE 40 2HD1 ILE 40 -5.642 -5.928 1.410 338 H ALA 41 H ALA 41 -10.389 -7.388 -0.082 339 HA ALA 41 HA ALA 41 -12.162 -5.242 -0.674 340 HB1 ALA 41 1HB ALA 41 -12.155 -8.031 -1.897 341 HB2 ALA 41 2HB ALA 41 -12.853 -6.566 -2.602 342 HB3 ALA 41 3HB ALA 41 -11.101 -6.688 -2.404 343 H HIS 42 H HIS 42 -12.736 -8.141 1.284 344 HA HIS 42 HA HIS 42 -15.598 -7.313 1.507 345 HB2 HIS 42 1HB HIS 42 -16.260 -9.609 1.537 346 HB3 HIS 42 2HB HIS 42 -15.370 -9.281 0.059 347 HD1 HIS 42 1HD HIS 42 -12.903 -10.553 -0.166 348 HD2 HIS 42 2HD HIS 42 -14.982 -11.099 3.465 349 HE1 HIS 42 1HE HIS 42 -11.824 -12.499 0.980 350 H ALA 43 H ALA 43 -12.705 -7.668 3.226 351 HA ALA 43 HA ALA 43 -13.896 -8.648 5.710 352 HB1 ALA 43 1HB ALA 43 -11.103 -7.595 5.034 353 HB2 ALA 43 2HB ALA 43 -11.613 -8.301 6.580 354 HB3 ALA 43 3HB ALA 43 -11.574 -9.309 5.122 355 H LEU 44 H LEU 44 -12.942 -5.663 3.972 356 HA LEU 44 HA LEU 44 -13.971 -4.176 6.334 357 HB2 LEU 44 1HB LEU 44 -11.994 -3.381 4.184 358 HB3 LEU 44 2HB LEU 44 -12.748 -2.185 5.245 359 HG LEU 44 HG LEU 44 -11.148 -4.529 6.346 360 HD11 LEU 44 1HD1 LEU 44 -9.356 -2.656 6.591 361 HD12 LEU 44 2HD1 LEU 44 -10.238 -1.825 5.308 362 HD13 LEU 44 3HD1 LEU 44 -9.548 -3.431 5.010 363 HD21 LEU 44 3HD2 LEU 44 -11.737 -1.782 7.514 364 HD22 LEU 44 1HD2 LEU 44 -10.988 -3.149 8.336 365 HD23 LEU 44 2HD2 LEU 44 -12.688 -3.242 7.902 366 H LYS 45 H LYS 45 -13.663 -2.734 3.181 367 HA LYS 45 HA LYS 45 -16.522 -2.700 2.480 368 HB2 LYS 45 1HB LYS 45 -14.872 -0.475 3.746 369 HB3 LYS 45 2HB LYS 45 -16.207 -0.074 2.688 370 HG2 LYS 45 1HG LYS 45 -17.588 -0.243 4.388 371 HG3 LYS 45 2HG LYS 45 -17.273 -1.968 4.352 372 HD2 LYS 45 1HD LYS 45 -16.611 -1.772 6.448 373 HD3 LYS 45 2HD LYS 45 -15.116 -1.085 5.870 374 HE2 LYS 45 1HE LYS 45 -15.890 1.168 6.236 375 HE3 LYS 45 2HE LYS 45 -17.570 0.622 6.388 376 HZ1 LYS 45 3HZ LYS 45 -15.390 0.026 8.287 377 HZ2 LYS 45 1HZ LYS 45 -16.935 -0.504 8.444 378 HZ3 LYS 45 2HZ LYS 45 -16.586 1.116 8.545 379 H LEU 46 H LEU 46 -13.549 -3.087 1.229 380 HA LEU 46 HA LEU 46 -13.559 -0.813 -0.653 381 HB2 LEU 46 1HB LEU 46 -11.518 -3.025 -0.200 382 HB3 LEU 46 2HB LEU 46 -11.389 -1.752 -1.394 383 HG LEU 46 HG LEU 46 -11.461 -0.014 0.469 384 HD11 LEU 46 1HD1 LEU 46 -11.215 -2.578 2.081 385 HD12 LEU 46 2HD1 LEU 46 -12.290 -1.188 2.378 386 HD13 LEU 46 3HD1 LEU 46 -10.556 -1.057 2.681 387 HD21 LEU 46 3HD2 LEU 46 -9.128 -1.946 0.516 388 HD22 LEU 46 1HD2 LEU 46 -9.130 -0.216 0.919 389 HD23 LEU 46 2HD2 LEU 46 -9.434 -0.758 -0.746 390 H SER 47 H SER 47 -12.672 -1.818 -3.037 391 HA SER 47 HA SER 47 -14.214 -4.211 -3.720 392 HB2 SER 47 1HB SER 47 -15.727 -2.249 -4.126 393 HB3 SER 47 2HB SER 47 -14.493 -1.573 -5.212 394 HG SER 47 HG SER 47 -16.195 -3.787 -5.537 395 H GLU 48 H GLU 48 -13.450 -5.184 -5.622 396 HA GLU 48 HA GLU 48 -10.736 -5.435 -5.436 397 HB2 GLU 48 1HB GLU 48 -12.543 -6.322 -7.699 398 HB3 GLU 48 2HB GLU 48 -10.909 -6.940 -7.398 399 HG2 GLU 48 1HG GLU 48 -11.736 -7.634 -5.081 400 HG3 GLU 48 2HG GLU 48 -13.366 -7.219 -5.624 401 H VAL 49 H VAL 49 -12.398 -3.487 -8.039 402 HA VAL 49 HA VAL 49 -9.924 -3.168 -9.535 403 HB VAL 49 HB VAL 49 -12.472 -1.498 -9.491 404 HG11 VAL 49 1HG1 VAL 49 -10.714 -0.090 -10.328 405 HG12 VAL 49 2HG1 VAL 49 -10.079 -1.398 -11.367 406 HG13 VAL 49 3HG1 VAL 49 -11.661 -0.669 -11.697 407 HG21 VAL 49 3HG2 VAL 49 -11.470 -3.615 -11.453 408 HG22 VAL 49 1HG2 VAL 49 -12.786 -3.836 -10.282 409 HG23 VAL 49 2HG2 VAL 49 -12.969 -2.671 -11.596 410 H GLN 50 H GLN 50 -11.582 -1.355 -6.961 411 HA GLN 50 HA GLN 50 -9.888 0.909 -6.942 412 HB2 GLN 50 1HB GLN 50 -12.044 -0.233 -5.331 413 HB3 GLN 50 2HB GLN 50 -10.767 0.274 -4.265 414 HG2 GLN 50 1HG GLN 50 -12.289 1.943 -6.285 415 HG3 GLN 50 2HG GLN 50 -12.362 2.040 -4.509 416 HE21 GLN 50 1HE2 GLN 50 -9.106 1.779 -4.946 417 HE22 GLN 50 2HE2 GLN 50 -8.719 3.447 -5.157 418 H VAL 51 H VAL 51 -9.682 -2.244 -5.399 419 HA VAL 51 HA VAL 51 -7.320 -1.767 -3.812 420 HB VAL 51 HB VAL 51 -8.834 -4.252 -4.704 421 HG11 VAL 51 1HG1 VAL 51 -6.450 -4.839 -4.049 422 HG12 VAL 51 2HG1 VAL 51 -6.836 -4.213 -2.430 423 HG13 VAL 51 3HG1 VAL 51 -7.718 -5.586 -3.069 424 HG21 VAL 51 3HG2 VAL 51 -8.699 -2.914 -1.962 425 HG22 VAL 51 1HG2 VAL 51 -10.014 -2.655 -3.105 426 HG23 VAL 51 2HG2 VAL 51 -9.738 -4.270 -2.439 427 H LYS 52 H LYS 52 -7.877 -3.425 -6.986 428 HA LYS 52 HA LYS 52 -5.341 -4.164 -7.703 429 HB2 LYS 52 1HB LYS 52 -7.473 -4.481 -8.997 430 HB3 LYS 52 2HB LYS 52 -7.368 -2.798 -9.513 431 HG2 LYS 52 1HG LYS 52 -5.082 -3.421 -10.533 432 HG3 LYS 52 2HG LYS 52 -5.537 -5.097 -10.212 433 HD2 LYS 52 1HD LYS 52 -6.095 -4.630 -12.490 434 HD3 LYS 52 2HD LYS 52 -7.639 -4.662 -11.617 435 HE2 LYS 52 1HE LYS 52 -7.671 -2.197 -11.525 436 HE3 LYS 52 2HE LYS 52 -6.042 -2.122 -12.204 437 HZ1 LYS 52 3HZ LYS 52 -8.447 -3.069 -13.643 438 HZ2 LYS 52 1HZ LYS 52 -6.903 -3.018 -14.262 439 HZ3 LYS 52 2HZ LYS 52 -7.693 -1.636 -13.837 440 H ILE 53 H ILE 53 -6.594 -0.808 -7.978 441 HA ILE 53 HA ILE 53 -4.134 0.124 -9.266 442 HB ILE 53 HB ILE 53 -6.398 1.666 -8.035 443 HG12 ILE 53 1HG1 ILE 53 -6.211 1.479 -11.031 444 HG13 ILE 53 2HG1 ILE 53 -6.694 -0.002 -10.237 445 HG21 ILE 53 1HG2 ILE 53 -5.667 3.489 -9.701 446 HG22 ILE 53 2HG2 ILE 53 -4.567 3.208 -8.349 447 HG23 ILE 53 3HG2 ILE 53 -4.181 2.535 -9.940 448 HD11 ILE 53 3HD1 ILE 53 -8.046 2.705 -9.900 449 HD12 ILE 53 1HD1 ILE 53 -8.680 1.288 -10.762 450 HD13 ILE 53 2HD1 ILE 53 -8.486 1.238 -9.000 451 H TRP 54 H TRP 54 -5.046 -0.340 -5.879 452 HA TRP 54 HA TRP 54 -3.542 1.860 -4.805 453 HB2 TRP 54 1HB TRP 54 -5.323 0.648 -3.624 454 HB3 TRP 54 2HB TRP 54 -4.348 -0.804 -3.666 455 HD1 TRP 54 HD TRP 54 -4.642 2.508 -1.796 456 HE1 TRP 54 1HE TRP 54 -3.518 2.227 0.505 457 HE3 TRP 54 3HE TRP 54 -2.406 -2.048 -2.552 458 HZ2 TRP 54 2HZ TRP 54 -2.113 0.119 1.920 459 HZ3 TRP 54 3HZ TRP 54 -1.325 -3.211 -0.676 460 HH2 TRP 54 HH TRP 54 -1.181 -2.148 1.564 461 H PHE 55 H PHE 55 -2.702 -1.385 -5.923 462 HA PHE 55 HA PHE 55 -0.055 -1.540 -4.863 463 HB2 PHE 55 1HB PHE 55 -1.196 -2.759 -7.398 464 HB3 PHE 55 2HB PHE 55 0.363 -3.175 -6.682 465 HD1 PHE 55 1HD PHE 55 0.462 -4.151 -4.331 466 HD2 PHE 55 2HD PHE 55 -3.248 -3.645 -6.483 467 HE1 PHE 55 1HE PHE 55 -0.723 -5.605 -2.686 468 HE2 PHE 55 2HE PHE 55 -4.398 -5.042 -4.843 469 HZ PHE 55 HZ PHE 55 -3.140 -6.005 -2.912 470 H GLN 56 H GLN 56 -1.299 0.005 -7.844 471 HA GLN 56 HA GLN 56 1.085 0.716 -9.062 472 HB2 GLN 56 1HB GLN 56 -1.386 0.934 -9.774 473 HB3 GLN 56 2HB GLN 56 -1.372 2.490 -8.968 474 HG2 GLN 56 1HG GLN 56 -0.537 3.454 -10.778 475 HG3 GLN 56 2HG GLN 56 0.942 2.511 -10.608 476 HE21 GLN 56 1HE2 GLN 56 -2.515 1.815 -11.693 477 HE22 GLN 56 2HE2 GLN 56 -1.990 0.896 -13.066 478 H ASN 57 H ASN 57 -0.615 2.156 -6.307 479 HA ASN 57 HA ASN 57 1.166 4.498 -6.158 480 HB2 ASN 57 1HB ASN 57 -0.988 3.493 -4.233 481 HB3 ASN 57 2HB ASN 57 -0.061 4.977 -4.054 482 HD21 ASN 57 1HD2 ASN 57 -3.003 3.799 -5.292 483 HD22 ASN 57 2HD2 ASN 57 -3.337 5.164 -6.317 484 H ARG 58 H ARG 58 0.632 1.466 -4.330 485 HA ARG 58 HA ARG 58 2.587 1.940 -2.324 486 HB2 ARG 58 1HB ARG 58 0.973 -0.393 -3.309 487 HB3 ARG 58 2HB ARG 58 2.276 -0.743 -2.202 488 HG2 ARG 58 1HG ARG 58 0.649 1.570 -1.291 489 HG3 ARG 58 2HG ARG 58 -0.267 0.100 -1.509 490 HD2 ARG 58 1HD ARG 58 0.554 0.242 0.796 491 HD3 ARG 58 2HD ARG 58 1.193 -1.151 -0.038 492 HE ARG 58 HE ARG 58 3.273 -0.421 0.337 493 HH11 ARG 58 1HH1 ARG 58 1.156 2.398 0.861 494 HH12 ARG 58 2HH1 ARG 58 2.418 3.412 1.413 495 HH21 ARG 58 1HH2 ARG 58 4.874 0.873 1.329 496 HH22 ARG 58 2HH2 ARG 58 4.576 2.530 1.709 497 H ARG 59 H ARG 59 3.533 1.666 -5.439 498 HA ARG 59 HA ARG 59 6.052 0.304 -4.578 499 HB2 ARG 59 1HB ARG 59 6.482 -0.260 -6.893 500 HB3 ARG 59 2HB ARG 59 4.978 -0.962 -6.311 501 HG2 ARG 59 1HG ARG 59 3.681 0.811 -7.448 502 HG3 ARG 59 2HG ARG 59 5.201 1.555 -8.013 503 HD2 ARG 59 1HD ARG 59 5.709 -0.653 -9.184 504 HD3 ARG 59 2HD ARG 59 4.061 -1.167 -8.765 505 HE ARG 59 HE ARG 59 4.358 1.443 -10.114 506 HH11 ARG 59 1HH1 ARG 59 3.549 -2.010 -10.688 507 HH12 ARG 59 2HH1 ARG 59 2.663 -1.631 -12.125 508 HH21 ARG 59 1HH2 ARG 59 3.279 1.866 -11.866 509 HH22 ARG 59 2HH2 ARG 59 2.243 0.710 -12.657 510 H ALA 60 H ALA 60 5.014 3.348 -4.558 511 HA ALA 60 HA ALA 60 7.126 4.551 -6.249 512 HB1 ALA 60 1HB ALA 60 4.793 5.802 -4.735 513 HB2 ALA 60 2HB ALA 60 5.889 6.613 -5.865 514 HB3 ALA 60 3HB ALA 60 4.801 5.350 -6.461 515 H LYS 61 H LYS 61 6.414 4.062 -2.816 516 HA LYS 61 HA LYS 61 7.421 6.162 -1.507 517 HB2 LYS 61 1HB LYS 61 6.500 4.173 -0.427 518 HB3 LYS 61 2HB LYS 61 7.972 3.274 -0.840 519 HG2 LYS 61 1HG LYS 61 9.216 5.072 0.592 520 HG3 LYS 61 2HG LYS 61 7.615 5.538 1.158 521 HD2 LYS 61 1HD LYS 61 7.255 3.171 1.910 522 HD3 LYS 61 2HD LYS 61 8.875 2.758 1.311 523 HE2 LYS 61 1HE LYS 61 9.859 4.467 2.841 524 HE3 LYS 61 2HE LYS 61 8.252 4.879 3.438 525 HZ1 LYS 61 3HZ LYS 61 8.084 2.658 4.348 526 HZ2 LYS 61 1HZ LYS 61 9.435 3.425 4.905 527 HZ3 LYS 61 2HZ LYS 61 9.573 2.245 3.776 528 H TRP 62 H TRP 62 9.633 3.487 -2.535 529 HA TRP 62 HA TRP 62 11.963 4.827 -1.631 530 HB2 TRP 62 1HB TRP 62 11.964 2.893 -3.965 531 HB3 TRP 62 2HB TRP 62 13.179 3.136 -2.728 532 HD1 TRP 62 HD TRP 62 12.666 1.954 -0.316 533 HE1 TRP 62 1HE TRP 62 11.254 -0.089 0.311 534 HE3 TRP 62 3HE TRP 62 9.819 1.591 -4.562 535 HZ2 TRP 62 2HZ TRP 62 9.071 -1.560 -0.778 536 HZ3 TRP 62 3HZ TRP 62 8.129 -0.192 -4.767 537 HH2 TRP 62 HH TRP 62 7.706 -1.766 -2.886 538 H LYS 63 H LYS 63 10.616 4.524 -4.933 539 HA LYS 63 HA LYS 63 12.555 6.006 -6.314 540 HB2 LYS 63 1HB LYS 63 9.770 5.012 -6.808 541 HB3 LYS 63 2HB LYS 63 10.244 6.414 -7.741 542 HG2 LYS 63 1HG LYS 63 10.740 4.416 -8.996 543 HG3 LYS 63 2HG LYS 63 12.214 5.290 -8.606 544 HD2 LYS 63 1HD LYS 63 12.726 3.668 -6.799 545 HD3 LYS 63 2HD LYS 63 11.211 2.794 -7.145 546 HE2 LYS 63 1HE LYS 63 11.976 2.313 -9.434 547 HE3 LYS 63 2HE LYS 63 13.408 3.319 -9.188 548 HZ1 LYS 63 3HZ LYS 63 12.864 0.758 -7.802 549 HZ2 LYS 63 1HZ LYS 63 14.133 1.765 -7.484 550 HZ3 LYS 63 2HZ LYS 63 14.008 1.081 -8.945 551 H ARG 64 H ARG 64 9.573 7.259 -4.706 552 HA ARG 64 HA ARG 64 9.827 9.844 -5.776 553 HB2 ARG 64 1HB ARG 64 8.161 10.527 -4.324 554 HB3 ARG 64 2HB ARG 64 7.809 8.847 -4.700 555 HG2 ARG 64 1HG ARG 64 7.745 8.466 -2.471 556 HG3 ARG 64 2HG ARG 64 9.493 8.661 -2.560 557 HD2 ARG 64 1HD ARG 64 8.998 10.101 -0.832 558 HD3 ARG 64 2HD ARG 64 9.068 11.207 -2.199 559 HE ARG 64 HE ARG 64 6.817 11.634 -1.985 560 HH11 ARG 64 1HH1 ARG 64 7.646 8.939 0.210 561 HH12 ARG 64 2HH1 ARG 64 6.073 8.880 0.902 562 HH21 ARG 64 1HH2 ARG 64 4.830 11.587 -0.965 563 HH22 ARG 64 2HH2 ARG 64 4.436 10.400 0.261 564 H ILE 65 H ILE 65 11.894 8.429 -3.402 565 HA ILE 65 HA ILE 65 13.037 11.107 -2.735 566 HB ILE 65 HB ILE 65 13.579 8.380 -1.492 567 HG12 ILE 65 1HG1 ILE 65 11.923 10.736 -0.491 568 HG13 ILE 65 2HG1 ILE 65 11.345 9.114 -0.879 569 HG21 ILE 65 1HG2 ILE 65 14.965 9.573 0.115 570 HG22 ILE 65 2HG2 ILE 65 15.524 9.999 -1.487 571 HG23 ILE 65 3HG2 ILE 65 14.512 11.145 -0.588 572 HD11 ILE 65 3HD1 ILE 65 13.125 9.883 1.450 573 HD12 ILE 65 1HD1 ILE 65 11.473 9.262 1.498 574 HD13 ILE 65 2HD1 ILE 65 12.793 8.200 0.964 575 H LYS 66 H LYS 66 13.821 7.777 -3.732 576 HA LYS 66 HA LYS 66 16.430 8.302 -4.722 577 HB2 LYS 66 1HB LYS 66 15.063 6.161 -3.787 578 HB3 LYS 66 2HB LYS 66 14.846 5.831 -5.481 579 HG2 LYS 66 1HG LYS 66 17.503 6.227 -4.016 580 HG3 LYS 66 2HG LYS 66 16.745 4.681 -4.370 581 HD2 LYS 66 1HD LYS 66 16.917 5.236 -6.839 582 HD3 LYS 66 2HD LYS 66 17.909 6.636 -6.377 583 HE2 LYS 66 1HE LYS 66 19.535 5.177 -5.310 584 HE3 LYS 66 2HE LYS 66 18.485 3.768 -5.521 585 HZ1 LYS 66 3HZ LYS 66 19.709 5.289 -7.732 586 HZ2 LYS 66 1HZ LYS 66 18.829 3.878 -7.876 587 HZ3 LYS 66 2HZ LYS 66 20.279 3.878 -7.136 588 H ALA 67 H ALA 67 14.785 10.169 -6.056 589 HA ALA 67 HA ALA 67 15.079 9.363 -8.893 590 HB1 ALA 67 1HB ALA 67 12.689 9.340 -8.583 591 HB2 ALA 67 2HB ALA 67 12.732 10.825 -7.602 592 HB3 ALA 67 3HB ALA 67 13.091 10.897 -9.334 593 H GLY 68 H GLY 68 16.450 10.740 -9.865 594 HA2 GLY 68 1HA GLY 68 17.222 13.264 -8.473 595 HA3 GLY 68 2HA GLY 68 18.158 12.410 -9.709 596 H ASN 69 H ASN 69 14.957 14.029 -9.243 597 HA ASN 69 HA ASN 69 15.249 15.473 -11.774 598 HB2 ASN 69 1HB ASN 69 13.046 13.420 -11.251 599 HB3 ASN 69 2HB ASN 69 12.827 14.774 -12.356 600 HD21 ASN 69 1HD2 ASN 69 13.948 14.842 -14.405 601 HD22 ASN 69 2HD2 ASN 69 14.844 13.452 -14.945 602 H VAL 70 H VAL 70 13.540 17.077 -11.949 603 HA VAL 70 HA VAL 70 12.433 18.104 -9.410 604 HB VAL 70 HB VAL 70 11.967 18.872 -12.328 605 HG11 VAL 70 1HG1 VAL 70 10.980 20.977 -11.457 606 HG12 VAL 70 2HG1 VAL 70 10.024 19.578 -10.913 607 HG13 VAL 70 3HG1 VAL 70 11.149 20.389 -9.810 608 HG21 VAL 70 3HG2 VAL 70 13.365 20.837 -11.822 609 HG22 VAL 70 1HG2 VAL 70 13.615 20.249 -10.162 610 HG23 VAL 70 2HG2 VAL 70 14.276 19.355 -11.537 611 H SER 71 H SER 71 10.143 17.808 -8.859 612 HA SER 71 HA SER 71 8.557 15.981 -10.549 613 HB2 SER 71 1HB SER 71 9.905 14.531 -9.013 614 HB3 SER 71 2HB SER 71 9.259 15.432 -7.632 615 HG SER 71 HG SER 71 7.710 13.905 -9.496 Start of MODEL 3 1 H1 SER 1 H SER 1 4.869 17.936 -19.243 2 HA SER 1 HA SER 1 4.606 18.214 -16.312 3 HB2 SER 1 1HB SER 1 5.993 20.061 -18.285 4 HB3 SER 1 2HB SER 1 5.793 20.365 -16.550 5 HG SER 1 HG SER 1 7.811 19.274 -17.539 6 H ALA 2 H ALA 2 2.396 18.352 -16.165 7 HA ALA 2 HA ALA 2 0.678 19.906 -17.871 8 HB1 ALA 2 1HB ALA 2 0.408 18.790 -15.036 9 HB2 ALA 2 2HB ALA 2 -0.930 19.458 -15.962 10 HB3 ALA 2 3HB ALA 2 -0.119 18.002 -16.541 11 HA PRO 3 HA PRO 3 1.141 24.002 -16.166 12 HB2 PRO 3 1HB PRO 3 -1.463 24.824 -15.573 13 HB3 PRO 3 2HB PRO 3 -0.672 24.872 -17.170 14 HG2 PRO 3 1HG PRO 3 -2.524 22.768 -16.040 15 HG3 PRO 3 2HG PRO 3 -2.513 23.485 -17.685 16 HD2 PRO 3 1HD PRO 3 -1.431 21.071 -17.242 17 HD3 PRO 3 2HD PRO 3 -0.611 22.228 -18.315 18 H GLY 4 H GLY 4 0.949 25.365 -14.273 19 HA2 GLY 4 1HA GLY 4 0.769 25.942 -12.119 20 HA3 GLY 4 2HA GLY 4 -0.338 24.596 -11.878 21 H GLY 5 H GLY 5 1.197 22.336 -12.143 22 HA2 GLY 5 1HA GLY 5 3.402 21.512 -11.249 23 HA3 GLY 5 2HA GLY 5 3.166 22.620 -9.896 24 H LYS 6 H LYS 6 2.181 21.749 -8.110 25 HA LYS 6 HA LYS 6 0.928 19.075 -8.453 26 HB2 LYS 6 1HB LYS 6 3.484 19.753 -7.490 27 HB3 LYS 6 2HB LYS 6 2.580 19.439 -6.030 28 HG2 LYS 6 1HG LYS 6 2.810 17.590 -8.434 29 HG3 LYS 6 2HG LYS 6 3.766 17.484 -6.946 30 HD2 LYS 6 1HD LYS 6 1.507 17.224 -5.701 31 HD3 LYS 6 2HD LYS 6 0.793 16.904 -7.297 32 HE2 LYS 6 1HE LYS 6 3.106 15.433 -5.980 33 HE3 LYS 6 2HE LYS 6 1.483 14.807 -6.139 34 HZ1 LYS 6 3HZ LYS 6 1.793 14.544 -8.467 35 HZ2 LYS 6 1HZ LYS 6 3.211 14.039 -7.791 36 HZ3 LYS 6 2HZ LYS 6 3.111 15.498 -8.515 37 H SER 7 H SER 7 -1.221 19.557 -8.035 38 HA SER 7 HA SER 7 -1.911 20.911 -5.506 39 HB2 SER 7 1HB SER 7 -3.755 19.515 -7.478 40 HB3 SER 7 2HB SER 7 -4.189 20.698 -6.229 41 HG SER 7 HG SER 7 -2.845 21.011 -8.677 42 H ARG 8 H ARG 8 -3.185 19.859 -3.915 43 HA ARG 8 HA ARG 8 -2.920 17.131 -3.217 44 HB2 ARG 8 1HB ARG 8 -4.831 17.531 -1.739 45 HB3 ARG 8 2HB ARG 8 -3.633 18.814 -1.671 46 HG2 ARG 8 1HG ARG 8 -5.370 20.201 -1.769 47 HG3 ARG 8 2HG ARG 8 -5.306 19.923 -3.500 48 HD2 ARG 8 1HD ARG 8 -6.948 17.884 -2.889 49 HD3 ARG 8 2HD ARG 8 -7.225 18.850 -1.438 50 HE ARG 8 HE ARG 8 -7.389 20.556 -3.689 51 HH11 ARG 8 1HH1 ARG 8 -9.309 18.005 -2.113 52 HH12 ARG 8 2HH1 ARG 8 -10.728 18.317 -3.046 53 HH21 ARG 8 1HH2 ARG 8 -9.288 21.116 -4.722 54 HH22 ARG 8 2HH2 ARG 8 -10.819 20.376 -4.285 55 H ARG 9 H ARG 9 -3.396 15.452 -4.533 56 HA ARG 9 HA ARG 9 -6.006 15.498 -5.991 57 HB2 ARG 9 1HB ARG 9 -3.354 14.398 -6.936 58 HB3 ARG 9 2HB ARG 9 -4.898 13.870 -7.559 59 HG2 ARG 9 1HG ARG 9 -5.338 16.512 -7.819 60 HG3 ARG 9 2HG ARG 9 -3.582 16.569 -7.808 61 HD2 ARG 9 1HD ARG 9 -4.294 16.491 -10.085 62 HD3 ARG 9 2HD ARG 9 -3.611 14.902 -9.723 63 HE ARG 9 HE ARG 9 -5.960 14.097 -9.352 64 HH11 ARG 9 1HH1 ARG 9 -5.648 17.021 -11.400 65 HH12 ARG 9 2HH1 ARG 9 -6.932 16.610 -12.442 66 HH21 ARG 9 1HH2 ARG 9 -7.709 13.623 -10.622 67 HH22 ARG 9 2HH2 ARG 9 -8.175 14.569 -11.980 68 H ARG 10 H ARG 10 -7.290 14.475 -4.631 69 HA ARG 10 HA ARG 10 -6.647 12.088 -3.141 70 HB2 ARG 10 1HB ARG 10 -9.123 13.641 -3.840 71 HB3 ARG 10 2HB ARG 10 -9.294 11.938 -3.443 72 HG2 ARG 10 1HG ARG 10 -9.639 13.456 -1.526 73 HG3 ARG 10 2HG ARG 10 -8.412 12.217 -1.249 74 HD2 ARG 10 1HD ARG 10 -6.639 13.867 -1.531 75 HD3 ARG 10 2HD ARG 10 -7.825 15.119 -1.961 76 HE ARG 10 HE ARG 10 -8.703 14.271 0.494 77 HH11 ARG 10 1HH1 ARG 10 -5.457 15.380 -0.572 78 HH12 ARG 10 2HH1 ARG 10 -5.222 16.284 0.913 79 HH21 ARG 10 1HH2 ARG 10 -8.300 15.660 2.386 80 HH22 ARG 10 2HH2 ARG 10 -6.732 16.378 2.515 81 H ARG 11 H ARG 11 -5.956 10.547 -4.190 82 HA ARG 11 HA ARG 11 -6.963 9.771 -6.898 83 HB2 ARG 11 1HB ARG 11 -4.469 10.396 -6.407 84 HB3 ARG 11 2HB ARG 11 -4.372 8.816 -5.659 85 HG2 ARG 11 1HG ARG 11 -3.493 8.670 -7.851 86 HG3 ARG 11 2HG ARG 11 -5.006 7.786 -7.887 87 HD2 ARG 11 1HD ARG 11 -6.076 9.422 -9.230 88 HD3 ARG 11 2HD ARG 11 -4.952 10.700 -8.733 89 HE ARG 11 HE ARG 11 -3.178 9.371 -9.948 90 HH11 ARG 11 1HH1 ARG 11 -6.519 9.768 -11.302 91 HH12 ARG 11 2HH1 ARG 11 -5.993 9.226 -12.865 92 HH21 ARG 11 1HH2 ARG 11 -2.624 8.725 -12.107 93 HH22 ARG 11 2HH2 ARG 11 -3.834 8.831 -13.336 94 H THR 12 H THR 12 -7.773 9.004 -3.846 95 HA THR 12 HA THR 12 -8.462 6.249 -4.519 96 HB THR 12 HB THR 12 -7.550 6.723 -1.692 97 HG1 THR 12 1HG THR 12 -5.630 7.292 -2.224 98 HG21 THR 12 3HG2 THR 12 -8.424 4.550 -2.440 99 HG22 THR 12 1HG2 THR 12 -6.775 4.452 -1.856 100 HG23 THR 12 2HG2 THR 12 -7.067 4.417 -3.604 101 H ALA 13 H ALA 13 -10.364 5.603 -3.210 102 HA ALA 13 HA ALA 13 -11.836 7.883 -1.995 103 HB1 ALA 13 1HB ALA 13 -12.900 5.370 -3.348 104 HB2 ALA 13 2HB ALA 13 -13.869 6.686 -2.664 105 HB3 ALA 13 3HB ALA 13 -12.858 6.993 -4.074 106 H PHE 14 H PHE 14 -9.881 5.943 -0.756 107 HA PHE 14 HA PHE 14 -11.630 4.477 1.167 108 HB2 PHE 14 1HB PHE 14 -8.592 4.512 1.109 109 HB3 PHE 14 2HB PHE 14 -9.627 3.396 1.992 110 HD1 PHE 14 2HD PHE 14 -11.599 2.829 -0.397 111 HD2 PHE 14 1HD PHE 14 -7.301 2.854 0.018 112 HE1 PHE 14 2HE PHE 14 -11.402 1.232 -2.278 113 HE2 PHE 14 1HE PHE 14 -7.107 1.323 -1.895 114 HZ PHE 14 HZ PHE 14 -9.120 0.435 -3.006 115 H THR 15 H THR 15 -10.606 4.638 3.435 116 HA THR 15 HA THR 15 -10.281 7.448 4.276 117 HB THR 15 HB THR 15 -12.073 7.103 5.855 118 HG1 THR 15 1HG THR 15 -13.324 5.270 5.807 119 HG21 THR 15 3HG2 THR 15 -13.089 6.285 3.111 120 HG22 THR 15 1HG2 THR 15 -12.690 7.953 3.597 121 HG23 THR 15 2HG2 THR 15 -14.014 7.085 4.402 122 H SER 16 H SER 16 -9.789 7.454 6.725 123 HA SER 16 HA SER 16 -7.421 6.056 7.231 124 HB2 SER 16 1HB SER 16 -8.300 6.714 9.689 125 HB3 SER 16 2HB SER 16 -7.619 7.847 8.511 126 HG SER 16 HG SER 16 -9.390 8.882 8.983 127 H GLU 17 H GLU 17 -10.798 5.124 8.097 128 HA GLU 17 HA GLU 17 -9.954 2.810 9.666 129 HB2 GLU 17 1HB GLU 17 -12.515 3.949 8.549 130 HB3 GLU 17 2HB GLU 17 -12.464 2.221 8.911 131 HG2 GLU 17 1HG GLU 17 -11.557 2.921 11.251 132 HG3 GLU 17 2HG GLU 17 -12.172 4.530 10.835 133 H GLN 18 H GLN 18 -10.791 3.356 6.233 134 HA GLN 18 HA GLN 18 -11.054 0.541 5.611 135 HB2 GLN 18 1HB GLN 18 -10.900 3.077 3.964 136 HB3 GLN 18 2HB GLN 18 -11.001 1.484 3.215 137 HG2 GLN 18 1HG GLN 18 -13.071 1.000 4.462 138 HG3 GLN 18 2HG GLN 18 -13.012 2.592 5.237 139 HE21 GLN 18 1HE2 GLN 18 -13.074 1.078 1.934 140 HE22 GLN 18 2HE2 GLN 18 -14.082 2.342 1.250 141 H LEU 19 H LEU 19 -8.352 2.213 6.446 142 HA LEU 19 HA LEU 19 -6.505 0.691 4.655 143 HB2 LEU 19 1HB LEU 19 -6.126 3.217 6.284 144 HB3 LEU 19 2HB LEU 19 -4.881 2.475 5.296 145 HG LEU 19 HG LEU 19 -7.529 3.383 4.085 146 HD11 LEU 19 1HD1 LEU 19 -5.006 5.002 4.313 147 HD12 LEU 19 2HD1 LEU 19 -6.487 5.290 5.247 148 HD13 LEU 19 3HD1 LEU 19 -6.519 5.472 3.473 149 HD21 LEU 19 3HD2 LEU 19 -6.482 1.980 2.588 150 HD22 LEU 19 1HD2 LEU 19 -4.858 2.653 2.914 151 HD23 LEU 19 2HD2 LEU 19 -6.080 3.612 2.030 152 H LEU 20 H LEU 20 -7.867 0.178 7.677 153 HA LEU 20 HA LEU 20 -5.577 0.212 9.409 154 HB2 LEU 20 1HB LEU 20 -8.456 -0.830 9.463 155 HB3 LEU 20 2HB LEU 20 -7.357 -1.257 10.755 156 HG LEU 20 HG LEU 20 -7.927 1.622 10.003 157 HD11 LEU 20 1HD1 LEU 20 -9.185 -0.092 12.191 158 HD12 LEU 20 2HD1 LEU 20 -10.005 0.499 10.730 159 HD13 LEU 20 3HD1 LEU 20 -9.442 1.648 11.954 160 HD21 LEU 20 3HD2 LEU 20 -7.053 2.034 12.325 161 HD22 LEU 20 1HD2 LEU 20 -5.836 1.365 11.234 162 HD23 LEU 20 2HD2 LEU 20 -6.644 0.316 12.440 163 H GLU 21 H GLU 21 -6.942 -2.154 7.269 164 HA GLU 21 HA GLU 21 -5.467 -4.402 8.557 165 HB2 GLU 21 1HB GLU 21 -7.851 -4.259 6.677 166 HB3 GLU 21 2HB GLU 21 -7.041 -5.772 7.100 167 HG2 GLU 21 1HG GLU 21 -8.145 -3.876 9.253 168 HG3 GLU 21 2HG GLU 21 -9.125 -5.078 8.461 169 H LEU 22 H LEU 22 -5.848 -2.438 5.759 170 HA LEU 22 HA LEU 22 -4.442 -3.978 3.823 171 HB2 LEU 22 1HB LEU 22 -6.147 -2.117 3.560 172 HB3 LEU 22 2HB LEU 22 -4.908 -0.963 4.048 173 HG LEU 22 HG LEU 22 -3.616 -1.514 2.012 174 HD11 LEU 22 1HD1 LEU 22 -4.717 -2.841 0.195 175 HD12 LEU 22 2HD1 LEU 22 -5.963 -3.360 1.338 176 HD13 LEU 22 3HD1 LEU 22 -4.279 -3.846 1.581 177 HD21 LEU 22 3HD2 LEU 22 -5.306 -0.445 0.501 178 HD22 LEU 22 1HD2 LEU 22 -5.284 0.257 2.103 179 HD23 LEU 22 2HD2 LEU 22 -6.605 -0.856 1.688 180 H GLU 23 H GLU 23 -3.413 -1.074 5.796 181 HA GLU 23 HA GLU 23 -0.645 -1.287 5.041 182 HB2 GLU 23 1HB GLU 23 -2.033 -0.036 7.462 183 HB3 GLU 23 2HB GLU 23 -0.287 -0.016 7.214 184 HG2 GLU 23 1HG GLU 23 -0.967 0.965 4.822 185 HG3 GLU 23 2HG GLU 23 -2.459 1.401 5.655 186 H LYS 24 H LYS 24 -2.577 -2.743 7.576 187 HA LYS 24 HA LYS 24 -0.572 -3.763 9.276 188 HB2 LYS 24 1HB LYS 24 -2.867 -3.600 9.912 189 HB3 LYS 24 2HB LYS 24 -3.402 -4.633 8.624 190 HG2 LYS 24 1HG LYS 24 -1.541 -5.755 10.673 191 HG3 LYS 24 2HG LYS 24 -3.240 -5.482 11.091 192 HD2 LYS 24 1HD LYS 24 -3.685 -6.847 8.837 193 HD3 LYS 24 2HD LYS 24 -2.063 -7.450 9.153 194 HE2 LYS 24 1HE LYS 24 -3.348 -9.034 10.245 195 HE3 LYS 24 2HE LYS 24 -2.966 -7.922 11.582 196 HZ1 LYS 24 3HZ LYS 24 -5.464 -8.143 10.036 197 HZ2 LYS 24 1HZ LYS 24 -5.229 -6.865 10.973 198 HZ3 LYS 24 2HZ LYS 24 -5.266 -8.361 11.662 199 H GLU 25 H GLU 25 -2.364 -5.491 6.643 200 HA GLU 25 HA GLU 25 -0.643 -7.808 6.820 201 HB2 GLU 25 1HB GLU 25 -2.539 -6.790 4.664 202 HB3 GLU 25 2HB GLU 25 -1.621 -8.300 4.566 203 HG2 GLU 25 1HG GLU 25 -2.648 -8.950 6.835 204 HG3 GLU 25 2HG GLU 25 -3.692 -7.545 6.701 205 H PHE 26 H PHE 26 -0.535 -4.842 4.887 206 HA PHE 26 HA PHE 26 1.581 -5.761 3.201 207 HB2 PHE 26 1HB PHE 26 -0.112 -3.727 3.012 208 HB3 PHE 26 2HB PHE 26 1.210 -2.815 3.726 209 HD1 PHE 26 1HD PHE 26 0.687 -5.465 1.075 210 HD2 PHE 26 2HD PHE 26 2.322 -1.605 2.016 211 HE1 PHE 26 1HE PHE 26 1.252 -5.133 -1.298 212 HE2 PHE 26 2HE PHE 26 2.907 -1.277 -0.367 213 HZ PHE 26 HZ PHE 26 2.371 -3.036 -2.039 214 H HIS 27 H HIS 27 1.750 -4.846 6.500 215 HA HIS 27 HA HIS 27 4.466 -3.917 6.617 216 HB2 HIS 27 1HB HIS 27 2.903 -3.773 8.562 217 HB3 HIS 27 2HB HIS 27 2.842 -5.527 8.634 218 HD1 HIS 27 1HD HIS 27 5.561 -2.765 8.963 219 HD2 HIS 27 2HD HIS 27 4.597 -6.715 10.022 220 HE1 HIS 27 1HE HIS 27 7.413 -3.547 10.541 221 H CYS 28 H CYS 28 2.930 -7.145 6.761 222 HA CYS 28 HA CYS 28 5.392 -8.586 7.229 223 HB2 CYS 28 1HB CYS 28 2.612 -9.483 6.345 224 HB3 CYS 28 2HB CYS 28 3.901 -10.559 6.916 225 HG CYS 28 HG CYS 28 4.127 -9.649 9.278 226 H LYS 29 H LYS 29 3.667 -7.510 4.385 227 HA LYS 29 HA LYS 29 5.424 -9.089 2.581 228 HB2 LYS 29 1HB LYS 29 3.262 -9.552 1.282 229 HB3 LYS 29 2HB LYS 29 3.607 -10.545 2.690 230 HG2 LYS 29 1HG LYS 29 1.849 -9.727 3.926 231 HG3 LYS 29 2HG LYS 29 1.923 -8.122 3.248 232 HD2 LYS 29 1HD LYS 29 -0.141 -9.426 2.732 233 HD3 LYS 29 2HD LYS 29 0.666 -8.616 1.394 234 HE2 LYS 29 1HE LYS 29 -0.051 -10.836 0.703 235 HE3 LYS 29 2HE LYS 29 1.709 -10.731 0.680 236 HZ1 LYS 29 3HZ LYS 29 0.025 -12.022 2.729 237 HZ2 LYS 29 1HZ LYS 29 1.635 -11.800 2.967 238 HZ3 LYS 29 2HZ LYS 29 1.111 -12.758 1.745 239 H LYS 30 H LYS 30 6.301 -7.642 1.241 240 HA LYS 30 HA LYS 30 5.127 -5.085 0.810 241 HB2 LYS 30 1HB LYS 30 7.664 -6.264 0.414 242 HB3 LYS 30 2HB LYS 30 7.162 -5.817 -1.212 243 HG2 LYS 30 1HG LYS 30 7.264 -3.985 1.230 244 HG3 LYS 30 2HG LYS 30 8.400 -4.021 -0.113 245 HD2 LYS 30 1HD LYS 30 6.619 -3.371 -1.668 246 HD3 LYS 30 2HD LYS 30 5.516 -3.149 -0.278 247 HE2 LYS 30 1HE LYS 30 7.191 -1.563 0.723 248 HE3 LYS 30 2HE LYS 30 8.175 -1.736 -0.741 249 HZ1 LYS 30 3HZ LYS 30 5.531 -0.542 -0.422 250 HZ2 LYS 30 1HZ LYS 30 6.047 -1.060 -1.924 251 HZ3 LYS 30 2HZ LYS 30 6.861 0.138 -1.101 252 H TYR 31 H TYR 31 3.705 -7.750 -0.440 253 HA TYR 31 HA TYR 31 2.558 -6.320 -2.648 254 HB2 TYR 31 1HB TYR 31 3.082 -8.140 -4.324 255 HB3 TYR 31 2HB TYR 31 4.425 -7.091 -3.901 256 HD1 TYR 31 1HD TYR 31 2.925 -10.472 -3.076 257 HD2 TYR 31 2HD TYR 31 6.462 -7.966 -3.079 258 HE1 TYR 31 1HE TYR 31 4.225 -12.304 -2.116 259 HE2 TYR 31 2HE TYR 31 7.775 -9.843 -2.173 260 HH TYR 31 HH TYR 31 6.248 -12.937 -1.194 261 H LEU 32 H LEU 32 0.913 -7.943 -3.711 262 HA LEU 32 HA LEU 32 -0.464 -9.396 -1.531 263 HB2 LEU 32 1HB LEU 32 -1.306 -7.293 -3.445 264 HB3 LEU 32 2HB LEU 32 -2.335 -8.720 -3.496 265 HG LEU 32 HG LEU 32 -2.799 -8.594 -1.126 266 HD11 LEU 32 1HD1 LEU 32 -0.716 -7.621 -0.244 267 HD12 LEU 32 2HD1 LEU 32 -2.086 -6.645 0.232 268 HD13 LEU 32 3HD1 LEU 32 -1.028 -6.101 -1.107 269 HD21 LEU 32 3HD2 LEU 32 -3.160 -5.912 -2.515 270 HD22 LEU 32 1HD2 LEU 32 -4.184 -6.592 -1.221 271 HD23 LEU 32 2HD2 LEU 32 -4.120 -7.346 -2.831 272 H SER 33 H SER 33 -0.210 -11.505 -1.848 273 HA SER 33 HA SER 33 0.338 -12.766 -4.309 274 HB2 SER 33 1HB SER 33 -0.610 -13.998 -1.698 275 HB3 SER 33 2HB SER 33 0.358 -14.764 -2.963 276 HG SER 33 HG SER 33 2.064 -13.954 -2.072 277 H LEU 34 H LEU 34 -2.033 -11.357 -4.811 278 HA LEU 34 HA LEU 34 -3.979 -11.478 -5.845 279 HB2 LEU 34 1HB LEU 34 -2.556 -13.427 -6.930 280 HB3 LEU 34 2HB LEU 34 -3.768 -14.443 -6.189 281 HG LEU 34 HG LEU 34 -4.405 -14.084 -8.431 282 HD11 LEU 34 1HD1 LEU 34 -6.330 -13.862 -6.813 283 HD12 LEU 34 2HD1 LEU 34 -6.579 -13.099 -8.380 284 HD13 LEU 34 3HD1 LEU 34 -6.190 -12.093 -6.977 285 HD21 LEU 34 3HD2 LEU 34 -4.684 -11.906 -9.476 286 HD22 LEU 34 1HD2 LEU 34 -3.012 -12.123 -8.885 287 HD23 LEU 34 2HD2 LEU 34 -4.153 -11.093 -7.994 288 H THR 35 H THR 35 -4.212 -14.647 -4.029 289 HA THR 35 HA THR 35 -6.954 -14.342 -3.318 290 HB THR 35 HB THR 35 -4.685 -15.723 -1.827 291 HG1 THR 35 1HG THR 35 -4.730 -16.774 -3.644 292 HG21 THR 35 3HG2 THR 35 -6.652 -15.484 -0.412 293 HG22 THR 35 1HG2 THR 35 -6.491 -17.161 -0.911 294 HG23 THR 35 2HG2 THR 35 -7.710 -16.122 -1.689 295 H GLU 36 H GLU 36 -3.991 -12.980 -2.033 296 HA GLU 36 HA GLU 36 -4.854 -12.128 0.510 297 HB2 GLU 36 1HB GLU 36 -2.718 -11.301 -1.493 298 HB3 GLU 36 2HB GLU 36 -2.821 -10.542 0.071 299 HG2 GLU 36 1HG GLU 36 -2.557 -13.567 -0.249 300 HG3 GLU 36 2HG GLU 36 -1.178 -12.468 -0.174 301 H ARG 37 H ARG 37 -5.405 -10.918 -2.739 302 HA ARG 37 HA ARG 37 -5.866 -8.208 -1.974 303 HB2 ARG 37 1HB ARG 37 -5.277 -9.118 -4.348 304 HB3 ARG 37 2HB ARG 37 -6.967 -9.624 -4.434 305 HG2 ARG 37 1HG ARG 37 -7.386 -7.037 -3.803 306 HG3 ARG 37 2HG ARG 37 -5.781 -6.867 -4.511 307 HD2 ARG 37 1HD ARG 37 -8.330 -7.930 -5.749 308 HD3 ARG 37 2HD ARG 37 -7.440 -6.485 -6.217 309 HE ARG 37 HE ARG 37 -5.543 -8.244 -6.783 310 HH11 ARG 37 1HH1 ARG 37 -8.930 -9.240 -7.043 311 HH12 ARG 37 2HH1 ARG 37 -8.861 -9.745 -8.681 312 HH21 ARG 37 1HH2 ARG 37 -5.327 -9.143 -8.921 313 HH22 ARG 37 2HH2 ARG 37 -6.738 -9.793 -9.715 314 H SER 38 H SER 38 -7.921 -11.082 -2.335 315 HA SER 38 HA SER 38 -10.388 -9.650 -2.247 316 HB2 SER 38 1HB SER 38 -11.003 -12.226 -1.494 317 HB3 SER 38 2HB SER 38 -10.958 -11.586 -3.133 318 HG SER 38 HG SER 38 -8.910 -12.986 -1.766 319 H GLN 39 H GLN 39 -8.068 -10.472 0.212 320 HA GLN 39 HA GLN 39 -9.808 -11.121 2.325 321 HB2 GLN 39 1HB GLN 39 -6.997 -9.955 2.289 322 HB3 GLN 39 2HB GLN 39 -7.821 -10.436 3.750 323 HG2 GLN 39 1HG GLN 39 -8.083 -12.722 2.865 324 HG3 GLN 39 2HG GLN 39 -7.173 -12.270 1.421 325 HE21 GLN 39 1HE2 GLN 39 -5.025 -10.805 2.419 326 HE22 GLN 39 2HE2 GLN 39 -4.059 -11.859 3.382 327 H ILE 40 H ILE 40 -8.060 -8.061 1.804 328 HA ILE 40 HA ILE 40 -9.632 -6.579 3.662 329 HB ILE 40 HB ILE 40 -7.899 -5.716 1.294 330 HG12 ILE 40 1HG1 ILE 40 -6.480 -4.822 3.320 331 HG13 ILE 40 2HG1 ILE 40 -7.402 -5.933 4.306 332 HG21 ILE 40 1HG2 ILE 40 -9.561 -3.944 1.819 333 HG22 ILE 40 2HG2 ILE 40 -9.127 -4.065 3.537 334 HG23 ILE 40 3HG2 ILE 40 -7.966 -3.435 2.362 335 HD11 ILE 40 3HD1 ILE 40 -6.469 -7.842 3.082 336 HD12 ILE 40 1HD1 ILE 40 -5.739 -6.739 1.885 337 HD13 ILE 40 2HD1 ILE 40 -5.155 -6.753 3.548 338 H ALA 41 H ALA 41 -10.005 -7.247 0.182 339 HA ALA 41 HA ALA 41 -12.009 -5.287 -0.319 340 HB1 ALA 41 1HB ALA 41 -10.566 -6.388 -2.068 341 HB2 ALA 41 2HB ALA 41 -11.538 -7.862 -1.848 342 HB3 ALA 41 3HB ALA 41 -12.306 -6.384 -2.447 343 H HIS 42 H HIS 42 -12.315 -8.422 1.229 344 HA HIS 42 HA HIS 42 -15.288 -8.174 1.077 345 HB2 HIS 42 1HB HIS 42 -13.370 -10.474 1.341 346 HB3 HIS 42 2HB HIS 42 -14.828 -10.545 2.288 347 HD1 HIS 42 1HD HIS 42 -15.240 -12.713 0.874 348 HD2 HIS 42 2HD HIS 42 -15.663 -9.017 -1.097 349 HE1 HIS 42 1HE HIS 42 -16.725 -13.153 -1.199 350 H ALA 43 H ALA 43 -12.764 -7.158 3.207 351 HA ALA 43 HA ALA 43 -14.158 -8.194 5.595 352 HB1 ALA 43 1HB ALA 43 -11.744 -8.491 5.527 353 HB2 ALA 43 2HB ALA 43 -11.500 -6.746 5.237 354 HB3 ALA 43 3HB ALA 43 -12.173 -7.314 6.783 355 H LEU 44 H LEU 44 -13.389 -5.191 3.833 356 HA LEU 44 HA LEU 44 -14.410 -3.696 6.155 357 HB2 LEU 44 1HB LEU 44 -12.447 -3.032 4.016 358 HB3 LEU 44 2HB LEU 44 -13.124 -1.753 5.039 359 HG LEU 44 HG LEU 44 -11.692 -4.202 6.140 360 HD11 LEU 44 1HD1 LEU 44 -10.465 -1.450 5.908 361 HD12 LEU 44 2HD1 LEU 44 -10.244 -2.665 4.649 362 HD13 LEU 44 3HD1 LEU 44 -9.725 -3.003 6.323 363 HD21 LEU 44 3HD2 LEU 44 -12.414 -1.499 7.385 364 HD22 LEU 44 1HD2 LEU 44 -11.394 -2.750 8.159 365 HD23 LEU 44 2HD2 LEU 44 -13.104 -3.088 7.824 366 H LYS 45 H LYS 45 -14.204 -2.693 2.817 367 HA LYS 45 HA LYS 45 -16.746 -2.369 1.960 368 HB2 LYS 45 1HB LYS 45 -17.469 -0.141 2.382 369 HB3 LYS 45 2HB LYS 45 -17.495 -1.117 3.830 370 HG2 LYS 45 1HG LYS 45 -14.923 0.065 3.481 371 HG3 LYS 45 2HG LYS 45 -16.124 1.336 3.323 372 HD2 LYS 45 1HD LYS 45 -15.841 -0.542 5.727 373 HD3 LYS 45 2HD LYS 45 -15.194 1.104 5.640 374 HE2 LYS 45 1HE LYS 45 -17.546 1.950 5.273 375 HE3 LYS 45 2HE LYS 45 -18.137 0.303 5.578 376 HZ1 LYS 45 3HZ LYS 45 -18.145 1.665 7.606 377 HZ2 LYS 45 1HZ LYS 45 -16.538 1.920 7.478 378 HZ3 LYS 45 2HZ LYS 45 -17.084 0.418 7.755 379 H LEU 46 H LEU 46 -14.151 -2.809 0.984 380 HA LEU 46 HA LEU 46 -13.545 -0.441 -0.743 381 HB2 LEU 46 1HB LEU 46 -11.792 -2.848 -0.041 382 HB3 LEU 46 2HB LEU 46 -11.423 -1.655 -1.258 383 HG LEU 46 HG LEU 46 -11.450 0.141 0.570 384 HD11 LEU 46 1HD1 LEU 46 -10.818 -0.810 2.838 385 HD12 LEU 46 2HD1 LEU 46 -11.361 -2.385 2.240 386 HD13 LEU 46 3HD1 LEU 46 -12.512 -1.031 2.407 387 HD21 LEU 46 3HD2 LEU 46 -9.334 -2.048 0.681 388 HD22 LEU 46 1HD2 LEU 46 -9.143 -0.361 1.215 389 HD23 LEU 46 2HD2 LEU 46 -9.397 -0.735 -0.492 390 H SER 47 H SER 47 -12.663 -1.507 -3.005 391 HA SER 47 HA SER 47 -14.590 -3.615 -3.873 392 HB2 SER 47 1HB SER 47 -13.565 -1.234 -5.454 393 HB3 SER 47 2HB SER 47 -14.722 -2.444 -5.966 394 HG SER 47 HG SER 47 -14.888 -0.263 -4.204 395 H GLU 48 H GLU 48 -13.590 -5.297 -5.056 396 HA GLU 48 HA GLU 48 -10.914 -5.828 -4.705 397 HB2 GLU 48 1HB GLU 48 -12.798 -6.776 -6.891 398 HB3 GLU 48 2HB GLU 48 -11.167 -7.418 -6.672 399 HG2 GLU 48 1HG GLU 48 -11.744 -8.070 -4.344 400 HG3 GLU 48 2HG GLU 48 -13.425 -7.588 -4.638 401 H VAL 49 H VAL 49 -12.332 -4.448 -7.713 402 HA VAL 49 HA VAL 49 -9.910 -4.240 -9.165 403 HB VAL 49 HB VAL 49 -12.487 -2.624 -9.284 404 HG11 VAL 49 1HG1 VAL 49 -10.677 -1.336 -10.365 405 HG12 VAL 49 2HG1 VAL 49 -10.243 -2.748 -11.352 406 HG13 VAL 49 3HG1 VAL 49 -11.826 -1.947 -11.546 407 HG21 VAL 49 3HG2 VAL 49 -11.444 -4.956 -10.958 408 HG22 VAL 49 1HG2 VAL 49 -12.761 -5.047 -9.779 409 HG23 VAL 49 2HG2 VAL 49 -12.959 -4.088 -11.247 410 H GLN 50 H GLN 50 -11.310 -2.021 -6.734 411 HA GLN 50 HA GLN 50 -9.470 0.118 -7.300 412 HB2 GLN 50 1HB GLN 50 -11.802 -0.221 -5.777 413 HB3 GLN 50 2HB GLN 50 -10.582 0.033 -4.572 414 HG2 GLN 50 1HG GLN 50 -11.396 1.831 -6.873 415 HG3 GLN 50 2HG GLN 50 -11.570 2.130 -5.138 416 HE21 GLN 50 1HE2 GLN 50 -9.610 2.588 -3.875 417 HE22 GLN 50 2HE2 GLN 50 -8.179 3.164 -4.726 418 H VAL 51 H VAL 51 -9.581 -2.633 -5.034 419 HA VAL 51 HA VAL 51 -7.145 -2.014 -3.664 420 HB VAL 51 HB VAL 51 -8.413 -4.755 -4.078 421 HG11 VAL 51 1HG1 VAL 51 -7.309 -5.376 -1.984 422 HG12 VAL 51 2HG1 VAL 51 -6.093 -4.822 -3.149 423 HG13 VAL 51 3HG1 VAL 51 -6.612 -3.758 -1.834 424 HG21 VAL 51 3HG2 VAL 51 -10.163 -3.427 -3.086 425 HG22 VAL 51 1HG2 VAL 51 -9.429 -4.330 -1.774 426 HG23 VAL 51 2HG2 VAL 51 -9.023 -2.628 -2.000 427 H LYS 52 H LYS 52 -7.905 -3.858 -6.609 428 HA LYS 52 HA LYS 52 -5.385 -4.877 -7.288 429 HB2 LYS 52 1HB LYS 52 -7.812 -5.099 -8.385 430 HB3 LYS 52 2HB LYS 52 -7.186 -3.833 -9.444 431 HG2 LYS 52 1HG LYS 52 -5.167 -5.418 -9.843 432 HG3 LYS 52 2HG LYS 52 -6.105 -6.622 -8.989 433 HD2 LYS 52 1HD LYS 52 -6.574 -7.041 -11.255 434 HD3 LYS 52 2HD LYS 52 -8.001 -6.130 -10.725 435 HE2 LYS 52 1HE LYS 52 -7.100 -4.061 -11.665 436 HE3 LYS 52 2HE LYS 52 -5.536 -4.831 -11.935 437 HZ1 LYS 52 3HZ LYS 52 -6.581 -4.715 -13.965 438 HZ2 LYS 52 1HZ LYS 52 -8.010 -5.374 -13.446 439 HZ3 LYS 52 2HZ LYS 52 -6.641 -6.292 -13.548 440 H ILE 53 H ILE 53 -6.102 -1.561 -7.004 441 HA ILE 53 HA ILE 53 -3.841 -0.875 -8.825 442 HB ILE 53 HB ILE 53 -6.096 0.815 -7.855 443 HG12 ILE 53 1HG1 ILE 53 -5.731 0.323 -10.802 444 HG13 ILE 53 2HG1 ILE 53 -6.337 -1.057 -9.892 445 HG21 ILE 53 1HG2 ILE 53 -4.194 2.247 -8.227 446 HG22 ILE 53 2HG2 ILE 53 -3.742 1.397 -9.706 447 HG23 ILE 53 3HG2 ILE 53 -5.185 2.446 -9.659 448 HD11 ILE 53 3HD1 ILE 53 -8.184 0.272 -9.006 449 HD12 ILE 53 1HD1 ILE 53 -7.617 1.696 -9.883 450 HD13 ILE 53 2HD1 ILE 53 -8.189 0.261 -10.770 451 H TRP 54 H TRP 54 -5.125 -0.628 -5.468 452 HA TRP 54 HA TRP 54 -3.629 1.585 -4.610 453 HB2 TRP 54 1HB TRP 54 -5.424 0.568 -3.320 454 HB3 TRP 54 2HB TRP 54 -4.493 -0.899 -3.098 455 HD1 TRP 54 HD TRP 54 -5.032 2.524 -1.609 456 HE1 TRP 54 1HE TRP 54 -3.781 2.672 0.658 457 HE3 TRP 54 3HE TRP 54 -2.127 -1.683 -1.976 458 HZ2 TRP 54 2HZ TRP 54 -1.832 1.131 2.119 459 HZ3 TRP 54 3HZ TRP 54 -0.606 -2.310 -0.134 460 HH2 TRP 54 HH TRP 54 -0.517 -0.973 1.934 461 H PHE 55 H PHE 55 -2.707 -1.809 -4.826 462 HA PHE 55 HA PHE 55 0.030 -1.228 -3.790 463 HB2 PHE 55 1HB PHE 55 0.555 -3.552 -4.130 464 HB3 PHE 55 2HB PHE 55 -0.915 -3.384 -3.184 465 HD1 PHE 55 2HD PHE 55 0.491 -4.393 -6.478 466 HD2 PHE 55 1HD PHE 55 -3.055 -4.175 -4.036 467 HE1 PHE 55 2HE PHE 55 -0.751 -5.733 -8.158 468 HE2 PHE 55 1HE PHE 55 -4.255 -5.583 -5.646 469 HZ PHE 55 HZ PHE 55 -3.139 -6.287 -7.776 470 H GLN 56 H GLN 56 -1.602 -1.591 -6.881 471 HA GLN 56 HA GLN 56 0.576 -1.969 -8.629 472 HB2 GLN 56 1HB GLN 56 -1.988 -1.992 -8.969 473 HB3 GLN 56 2HB GLN 56 -1.840 -0.315 -9.333 474 HG2 GLN 56 1HG GLN 56 -1.648 -1.050 -11.445 475 HG3 GLN 56 2HG GLN 56 0.067 -1.105 -11.017 476 HE21 GLN 56 1HE2 GLN 56 -2.918 -3.087 -10.482 477 HE22 GLN 56 2HE2 GLN 56 -2.122 -4.579 -10.634 478 H ASN 57 H ASN 57 -0.786 0.930 -7.151 479 HA ASN 57 HA ASN 57 0.923 2.851 -8.443 480 HB2 ASN 57 1HB ASN 57 -0.399 3.039 -5.713 481 HB3 ASN 57 2HB ASN 57 0.196 4.383 -6.699 482 HD21 ASN 57 1HD2 ASN 57 -2.476 4.015 -5.511 483 HD22 ASN 57 2HD2 ASN 57 -3.567 4.129 -6.872 484 H ARG 58 H ARG 58 1.783 0.462 -6.244 485 HA ARG 58 HA ARG 58 4.132 1.992 -5.252 486 HB2 ARG 58 1HB ARG 58 2.233 0.839 -3.695 487 HB3 ARG 58 2HB ARG 58 3.184 -0.590 -4.024 488 HG2 ARG 58 1HG ARG 58 3.970 0.244 -1.993 489 HG3 ARG 58 2HG ARG 58 5.219 0.740 -3.148 490 HD2 ARG 58 1HD ARG 58 4.375 3.020 -3.150 491 HD3 ARG 58 2HD ARG 58 2.938 2.518 -2.237 492 HE ARG 58 HE ARG 58 5.603 2.161 -0.978 493 HH11 ARG 58 1HH1 ARG 58 2.865 4.345 -1.276 494 HH12 ARG 58 2HH1 ARG 58 2.828 4.845 0.376 495 HH21 ARG 58 1HH2 ARG 58 5.679 2.849 1.282 496 HH22 ARG 58 2HH2 ARG 58 4.660 4.148 1.750 497 H ARG 59 H ARG 59 3.258 -0.032 -7.743 498 HA ARG 59 HA ARG 59 5.597 -1.875 -7.490 499 HB2 ARG 59 1HB ARG 59 3.368 -1.732 -9.554 500 HB3 ARG 59 2HB ARG 59 4.761 -2.796 -9.667 501 HG2 ARG 59 1HG ARG 59 4.061 -3.794 -7.427 502 HG3 ARG 59 2HG ARG 59 2.571 -2.868 -7.572 503 HD2 ARG 59 1HD ARG 59 2.061 -5.039 -8.398 504 HD3 ARG 59 2HD ARG 59 2.190 -3.995 -9.830 505 HE ARG 59 HE ARG 59 4.745 -5.069 -9.374 506 HH11 ARG 59 1HH1 ARG 59 1.546 -6.461 -10.263 507 HH12 ARG 59 2HH1 ARG 59 2.230 -7.900 -10.907 508 HH21 ARG 59 1HH2 ARG 59 5.602 -6.865 -10.231 509 HH22 ARG 59 2HH2 ARG 59 4.670 -8.099 -11.014 510 H ALA 60 H ALA 60 4.299 0.644 -9.733 511 HA ALA 60 HA ALA 60 6.647 0.340 -11.422 512 HB1 ALA 60 1HB ALA 60 4.410 2.384 -11.667 513 HB2 ALA 60 2HB ALA 60 5.632 1.972 -12.875 514 HB3 ALA 60 3HB ALA 60 4.423 0.765 -12.407 515 H LYS 61 H LYS 61 6.017 2.060 -8.601 516 HA LYS 61 HA LYS 61 7.237 4.453 -8.687 517 HB2 LYS 61 1HB LYS 61 6.292 3.419 -6.675 518 HB3 LYS 61 2HB LYS 61 7.554 2.202 -6.632 519 HG2 LYS 61 1HG LYS 61 7.939 5.191 -6.064 520 HG3 LYS 61 2HG LYS 61 7.727 3.921 -4.857 521 HD2 LYS 61 1HD LYS 61 9.853 2.826 -5.817 522 HD3 LYS 61 2HD LYS 61 10.092 4.370 -6.673 523 HE2 LYS 61 1HE LYS 61 9.734 5.328 -4.188 524 HE3 LYS 61 2HE LYS 61 10.387 3.732 -3.788 525 HZ1 LYS 61 3HZ LYS 61 12.204 4.433 -5.545 526 HZ2 LYS 61 1HZ LYS 61 12.261 5.164 -4.054 527 HZ3 LYS 61 2HZ LYS 61 11.603 5.928 -5.282 528 H TRP 62 H TRP 62 9.293 1.459 -8.128 529 HA TRP 62 HA TRP 62 11.644 3.095 -8.402 530 HB2 TRP 62 1HB TRP 62 11.583 0.105 -8.816 531 HB3 TRP 62 2HB TRP 62 12.929 1.110 -8.279 532 HD1 TRP 62 HD TRP 62 12.959 1.792 -5.674 533 HE1 TRP 62 1HE TRP 62 11.824 0.709 -3.611 534 HE3 TRP 62 3HE TRP 62 9.460 -1.066 -8.073 535 HZ2 TRP 62 2HZ TRP 62 9.663 -1.101 -3.099 536 HZ3 TRP 62 3HZ TRP 62 7.945 -2.510 -6.822 537 HH2 TRP 62 HH TRP 62 8.056 -2.568 -4.295 538 H LYS 63 H LYS 63 9.872 1.001 -10.644 539 HA LYS 63 HA LYS 63 11.522 0.986 -12.911 540 HB2 LYS 63 1HB LYS 63 8.591 0.743 -12.280 541 HB3 LYS 63 2HB LYS 63 8.927 1.251 -13.902 542 HG2 LYS 63 1HG LYS 63 8.571 -1.107 -13.825 543 HG3 LYS 63 2HG LYS 63 10.225 -0.775 -14.314 544 HD2 LYS 63 1HD LYS 63 11.017 -1.334 -12.022 545 HD3 LYS 63 2HD LYS 63 9.344 -1.686 -11.520 546 HE2 LYS 63 1HE LYS 63 9.151 -3.531 -12.963 547 HE3 LYS 63 2HE LYS 63 10.446 -2.980 -14.030 548 HZ1 LYS 63 3HZ LYS 63 12.063 -3.745 -12.605 549 HZ2 LYS 63 1HZ LYS 63 10.925 -4.908 -12.510 550 HZ3 LYS 63 2HZ LYS 63 11.071 -3.824 -11.289 551 H ARG 64 H ARG 64 8.991 3.407 -12.157 552 HA ARG 64 HA ARG 64 9.463 4.918 -14.422 553 HB2 ARG 64 1HB ARG 64 7.851 6.396 -13.650 554 HB3 ARG 64 2HB ARG 64 7.462 4.846 -12.894 555 HG2 ARG 64 1HG ARG 64 7.425 5.824 -10.939 556 HG3 ARG 64 2HG ARG 64 9.157 5.840 -11.116 557 HD2 ARG 64 1HD ARG 64 9.153 8.061 -10.909 558 HD3 ARG 64 2HD ARG 64 8.358 8.178 -12.477 559 HE ARG 64 HE ARG 64 6.235 7.692 -10.925 560 HH11 ARG 64 1HH1 ARG 64 8.857 10.066 -10.561 561 HH12 ARG 64 2HH1 ARG 64 8.063 10.974 -9.299 562 HH21 ARG 64 1HH2 ARG 64 5.052 9.091 -9.528 563 HH22 ARG 64 2HH2 ARG 64 5.729 10.658 -9.158 564 H ILE 65 H ILE 65 11.298 5.007 -11.455 565 HA ILE 65 HA ILE 65 12.642 7.545 -12.122 566 HB ILE 65 HB ILE 65 12.834 5.631 -9.758 567 HG12 ILE 65 1HG1 ILE 65 11.498 8.363 -10.093 568 HG13 ILE 65 2HG1 ILE 65 10.688 6.812 -9.914 569 HG21 ILE 65 1HG2 ILE 65 14.147 8.362 -10.135 570 HG22 ILE 65 2HG2 ILE 65 14.119 7.429 -8.607 571 HG23 ILE 65 3HG2 ILE 65 14.964 6.813 -9.988 572 HD11 ILE 65 3HD1 ILE 65 11.664 6.562 -7.644 573 HD12 ILE 65 1HD1 ILE 65 12.228 8.253 -7.770 574 HD13 ILE 65 2HD1 ILE 65 10.501 7.890 -7.850 575 H LYS 66 H LYS 66 12.981 4.156 -12.704 576 HA LYS 66 HA LYS 66 15.902 4.317 -13.183 577 HB2 LYS 66 1HB LYS 66 14.727 2.783 -11.439 578 HB3 LYS 66 2HB LYS 66 14.434 1.735 -12.842 579 HG2 LYS 66 1HG LYS 66 16.890 1.743 -13.299 580 HG3 LYS 66 2HG LYS 66 17.123 2.978 -12.045 581 HD2 LYS 66 1HD LYS 66 16.311 1.525 -10.336 582 HD3 LYS 66 2HD LYS 66 16.094 0.187 -11.520 583 HE2 LYS 66 1HE LYS 66 18.516 0.269 -12.050 584 HE3 LYS 66 2HE LYS 66 18.695 1.690 -11.020 585 HZ1 LYS 66 3HZ LYS 66 18.438 -1.095 -10.231 586 HZ2 LYS 66 1HZ LYS 66 17.841 0.065 -9.204 587 HZ3 LYS 66 2HZ LYS 66 19.415 0.092 -9.644 588 H ALA 67 H ALA 67 13.909 5.332 -14.982 589 HA ALA 67 HA ALA 67 14.415 3.721 -17.417 590 HB1 ALA 67 1HB ALA 67 12.286 4.533 -18.304 591 HB2 ALA 67 2HB ALA 67 12.017 3.641 -16.798 592 HB3 ALA 67 3HB ALA 67 11.965 5.421 -16.793 593 H GLY 68 H GLY 68 16.058 4.748 -18.406 594 HA2 GLY 68 1HA GLY 68 16.257 7.296 -19.407 595 HA3 GLY 68 2HA GLY 68 16.913 7.382 -17.755 596 H ASN 69 H ASN 69 19.205 7.391 -18.251 597 HA ASN 69 HA ASN 69 20.120 4.673 -18.918 598 HB2 ASN 69 1HB ASN 69 22.007 5.356 -20.152 599 HB3 ASN 69 2HB ASN 69 20.666 6.208 -20.872 600 HD21 ASN 69 1HD2 ASN 69 23.640 6.549 -18.859 601 HD22 ASN 69 2HD2 ASN 69 23.528 8.306 -18.818 602 H VAL 70 H VAL 70 22.473 4.533 -18.023 603 HA VAL 70 HA VAL 70 23.047 6.231 -15.734 604 HB VAL 70 HB VAL 70 23.820 3.900 -14.614 605 HG11 VAL 70 1HG1 VAL 70 21.852 4.027 -13.189 606 HG12 VAL 70 2HG1 VAL 70 22.650 5.571 -13.476 607 HG13 VAL 70 3HG1 VAL 70 21.120 5.196 -14.328 608 HG21 VAL 70 3HG2 VAL 70 22.223 2.158 -14.757 609 HG22 VAL 70 1HG2 VAL 70 21.203 3.064 -15.896 610 HG23 VAL 70 2HG2 VAL 70 22.815 2.469 -16.389 611 H SER 71 H SER 71 25.303 5.358 -14.895 612 HA SER 71 HA SER 71 27.266 5.054 -17.038 613 HB2 SER 71 1HB SER 71 27.534 4.427 -14.089 614 HB3 SER 71 2HB SER 71 28.823 4.825 -15.233 615 HG SER 71 HG SER 71 27.492 6.962 -15.359 Start of MODEL 4 1 H1 SER 1 H SER 1 -3.213 7.752 13.483 2 HA SER 1 HA SER 1 -3.435 10.103 13.956 3 HB2 SER 1 1HB SER 1 -0.465 10.334 13.399 4 HB3 SER 1 2HB SER 1 -1.538 11.549 14.106 5 HG SER 1 HG SER 1 -1.563 10.356 16.019 6 H ALA 2 H ALA 2 -2.938 11.972 12.181 7 HA ALA 2 HA ALA 2 -1.748 11.158 9.704 8 HB1 ALA 2 1HB ALA 2 -3.997 10.164 9.307 9 HB2 ALA 2 2HB ALA 2 -4.734 11.757 9.591 10 HB3 ALA 2 3HB ALA 2 -3.648 11.512 8.216 11 HA PRO 3 HA PRO 3 -1.892 15.521 11.392 12 HB2 PRO 3 1HB PRO 3 0.798 16.171 11.149 13 HB3 PRO 3 2HB PRO 3 0.052 15.379 12.567 14 HG2 PRO 3 1HG PRO 3 1.518 14.094 10.258 15 HG3 PRO 3 2HG PRO 3 1.659 13.732 12.010 16 HD2 PRO 3 1HD PRO 3 0.177 12.208 10.327 17 HD3 PRO 3 2HD PRO 3 -0.332 12.502 12.020 18 H GLY 4 H GLY 4 -2.251 17.329 10.212 19 HA2 GLY 4 1HA GLY 4 -1.978 17.367 7.332 20 HA3 GLY 4 2HA GLY 4 -2.484 18.703 8.380 21 H GLY 5 H GLY 5 0.229 17.114 6.848 22 HA2 GLY 5 1HA GLY 5 1.956 19.504 7.249 23 HA3 GLY 5 2HA GLY 5 2.567 17.905 7.701 24 H LYS 6 H LYS 6 1.868 16.189 5.759 25 HA LYS 6 HA LYS 6 3.233 17.182 3.386 26 HB2 LYS 6 1HB LYS 6 3.468 14.882 4.447 27 HB3 LYS 6 2HB LYS 6 1.874 14.481 3.779 28 HG2 LYS 6 1HG LYS 6 2.709 14.837 1.498 29 HG3 LYS 6 2HG LYS 6 4.213 15.531 2.128 30 HD2 LYS 6 1HD LYS 6 4.680 13.261 3.216 31 HD3 LYS 6 2HD LYS 6 3.279 12.637 2.335 32 HE2 LYS 6 1HE LYS 6 5.243 12.141 1.015 33 HE3 LYS 6 2HE LYS 6 4.353 13.428 0.186 34 HZ1 LYS 6 3HZ LYS 6 6.786 13.717 1.841 35 HZ2 LYS 6 1HZ LYS 6 5.971 15.005 1.242 36 HZ3 LYS 6 2HZ LYS 6 6.676 13.956 0.219 37 H SER 7 H SER 7 2.289 17.306 1.262 38 HA SER 7 HA SER 7 -0.576 17.884 1.125 39 HB2 SER 7 1HB SER 7 1.240 19.186 -0.080 40 HB3 SER 7 2HB SER 7 1.497 17.781 -1.105 41 HG SER 7 HG SER 7 -0.608 19.592 -0.969 42 H ARG 8 H ARG 8 -2.039 16.257 0.721 43 HA ARG 8 HA ARG 8 -1.152 13.656 -0.377 44 HB2 ARG 8 1HB ARG 8 -3.290 14.395 1.291 45 HB3 ARG 8 2HB ARG 8 -4.077 14.222 -0.279 46 HG2 ARG 8 1HG ARG 8 -2.786 11.962 -0.433 47 HG3 ARG 8 2HG ARG 8 -2.463 12.188 1.290 48 HD2 ARG 8 1HD ARG 8 -5.096 12.506 1.405 49 HD3 ARG 8 2HD ARG 8 -5.084 11.637 -0.129 50 HE ARG 8 HE ARG 8 -5.008 10.534 2.398 51 HH11 ARG 8 1HH1 ARG 8 -3.055 10.019 -0.559 52 HH12 ARG 8 2HH1 ARG 8 -2.343 8.567 0.016 53 HH21 ARG 8 1HH2 ARG 8 -4.100 8.533 3.101 54 HH22 ARG 8 2HH2 ARG 8 -3.003 7.687 2.063 55 H ARG 9 H ARG 9 -2.507 12.812 -2.321 56 HA ARG 9 HA ARG 9 -3.935 14.951 -3.742 57 HB2 ARG 9 1HB ARG 9 -2.849 12.407 -5.051 58 HB3 ARG 9 2HB ARG 9 -4.041 13.518 -5.740 59 HG2 ARG 9 1HG ARG 9 -2.253 15.355 -5.498 60 HG3 ARG 9 2HG ARG 9 -1.095 14.037 -5.238 61 HD2 ARG 9 1HD ARG 9 -2.830 14.621 -7.659 62 HD3 ARG 9 2HD ARG 9 -1.083 14.618 -7.593 63 HE ARG 9 HE ARG 9 -2.843 12.478 -8.149 64 HH11 ARG 9 1HH1 ARG 9 0.454 13.288 -7.489 65 HH12 ARG 9 2HH1 ARG 9 1.047 11.691 -7.795 66 HH21 ARG 9 1HH2 ARG 9 -2.163 10.230 -8.109 67 HH22 ARG 9 2HH2 ARG 9 -0.501 9.856 -7.907 68 H ARG 10 H ARG 10 -6.066 14.584 -3.351 69 HA ARG 10 HA ARG 10 -6.953 12.129 -1.998 70 HB2 ARG 10 1HB ARG 10 -7.679 14.374 -1.353 71 HB3 ARG 10 2HB ARG 10 -8.378 14.658 -2.918 72 HG2 ARG 10 1HG ARG 10 -10.237 13.317 -2.507 73 HG3 ARG 10 2HG ARG 10 -9.349 12.227 -1.406 74 HD2 ARG 10 1HD ARG 10 -9.319 13.736 0.345 75 HD3 ARG 10 2HD ARG 10 -9.728 15.127 -0.694 76 HE ARG 10 HE ARG 10 -11.944 13.479 -0.825 77 HH11 ARG 10 1HH1 ARG 10 -10.163 15.247 1.692 78 HH12 ARG 10 2HH1 ARG 10 -11.560 15.487 2.705 79 HH21 ARG 10 1HH2 ARG 10 -13.807 14.098 0.335 80 HH22 ARG 10 2HH2 ARG 10 -13.700 14.862 1.882 81 H ARG 11 H ARG 11 -6.671 10.537 -3.499 82 HA ARG 11 HA ARG 11 -8.226 10.663 -6.033 83 HB2 ARG 11 1HB ARG 11 -5.247 10.456 -5.683 84 HB3 ARG 11 2HB ARG 11 -5.944 9.389 -6.879 85 HG2 ARG 11 1HG ARG 11 -6.761 12.293 -6.986 86 HG3 ARG 11 2HG ARG 11 -5.132 11.871 -7.482 87 HD2 ARG 11 1HD ARG 11 -7.592 10.496 -8.642 88 HD3 ARG 11 2HD ARG 11 -6.857 11.947 -9.332 89 HE ARG 11 HE ARG 11 -5.190 9.521 -8.881 90 HH11 ARG 11 1HH1 ARG 11 -6.504 11.837 -11.338 91 HH12 ARG 11 2HH1 ARG 11 -5.353 11.350 -12.502 92 HH21 ARG 11 1HH2 ARG 11 -3.844 8.869 -10.480 93 HH22 ARG 11 2HH2 ARG 11 -3.771 9.679 -12.015 94 H THR 12 H THR 12 -8.019 9.091 -3.172 95 HA THR 12 HA THR 12 -8.573 6.467 -4.473 96 HB THR 12 HB THR 12 -6.967 6.841 -1.921 97 HG1 THR 12 1HG THR 12 -5.236 6.250 -3.156 98 HG21 THR 12 3HG2 THR 12 -6.541 4.450 -2.174 99 HG22 THR 12 1HG2 THR 12 -7.687 4.390 -3.537 100 HG23 THR 12 2HG2 THR 12 -8.253 4.817 -1.909 101 H ALA 13 H ALA 13 -10.404 5.524 -3.844 102 HA ALA 13 HA ALA 13 -12.138 6.955 -1.936 103 HB1 ALA 13 1HB ALA 13 -12.694 4.797 -4.019 104 HB2 ALA 13 2HB ALA 13 -13.906 5.586 -2.993 105 HB3 ALA 13 3HB ALA 13 -13.017 6.541 -4.193 106 H PHE 14 H PHE 14 -10.276 5.964 -0.403 107 HA PHE 14 HA PHE 14 -11.715 3.796 0.949 108 HB2 PHE 14 1HB PHE 14 -8.695 3.945 0.990 109 HB3 PHE 14 2HB PHE 14 -9.726 2.740 1.740 110 HD1 PHE 14 2HD PHE 14 -11.486 1.795 -0.357 111 HD2 PHE 14 1HD PHE 14 -7.377 2.970 -0.578 112 HE1 PHE 14 2HE PHE 14 -11.155 0.273 -2.312 113 HE2 PHE 14 1HE PHE 14 -7.043 1.584 -2.576 114 HZ PHE 14 HZ PHE 14 -8.888 0.099 -3.378 115 H THR 15 H THR 15 -11.292 3.834 3.226 116 HA THR 15 HA THR 15 -10.969 6.595 4.207 117 HB THR 15 HB THR 15 -12.535 5.954 5.938 118 HG1 THR 15 1HG THR 15 -13.327 3.825 6.003 119 HG21 THR 15 3HG2 THR 15 -14.538 5.356 4.628 120 HG22 THR 15 1HG2 THR 15 -13.535 4.833 3.266 121 HG23 THR 15 2HG2 THR 15 -13.562 6.544 3.747 122 H SER 16 H SER 16 -10.205 6.788 6.550 123 HA SER 16 HA SER 16 -7.642 5.662 6.696 124 HB2 SER 16 1HB SER 16 -8.916 6.857 9.114 125 HB3 SER 16 2HB SER 16 -7.345 7.171 8.341 126 HG SER 16 HG SER 16 -8.905 8.869 8.250 127 H GLU 17 H GLU 17 -10.662 4.340 7.771 128 HA GLU 17 HA GLU 17 -9.442 2.487 9.714 129 HB2 GLU 17 1HB GLU 17 -12.167 3.405 9.004 130 HB3 GLU 17 2HB GLU 17 -12.051 1.648 9.087 131 HG2 GLU 17 1HG GLU 17 -11.036 1.801 11.349 132 HG3 GLU 17 2HG GLU 17 -11.145 3.558 11.275 133 H GLN 18 H GLN 18 -10.853 2.495 6.385 134 HA GLN 18 HA GLN 18 -10.620 -0.337 6.003 135 HB2 GLN 18 1HB GLN 18 -10.793 2.051 4.122 136 HB3 GLN 18 2HB GLN 18 -10.780 0.385 3.550 137 HG2 GLN 18 1HG GLN 18 -12.837 -0.148 4.568 138 HG3 GLN 18 2HG GLN 18 -12.849 1.311 5.558 139 HE21 GLN 18 1HE2 GLN 18 -12.360 0.709 1.948 140 HE22 GLN 18 2HE2 GLN 18 -13.570 1.938 1.553 141 H LEU 19 H LEU 19 -8.357 2.329 5.647 142 HA LEU 19 HA LEU 19 -6.365 0.803 4.111 143 HB2 LEU 19 1HB LEU 19 -6.254 3.435 5.642 144 HB3 LEU 19 2HB LEU 19 -4.920 2.812 4.676 145 HG LEU 19 HG LEU 19 -7.678 3.322 3.459 146 HD11 LEU 19 1HD1 LEU 19 -5.312 5.219 3.517 147 HD12 LEU 19 2HD1 LEU 19 -6.792 5.417 4.476 148 HD13 LEU 19 3HD1 LEU 19 -6.878 5.488 2.705 149 HD21 LEU 19 3HD2 LEU 19 -6.381 3.506 1.375 150 HD22 LEU 19 1HD2 LEU 19 -6.287 1.891 2.099 151 HD23 LEU 19 2HD2 LEU 19 -4.922 2.986 2.261 152 H LEU 20 H LEU 20 -7.247 0.836 7.495 153 HA LEU 20 HA LEU 20 -4.651 1.099 8.572 154 HB2 LEU 20 1HB LEU 20 -7.255 1.143 9.483 155 HB3 LEU 20 2HB LEU 20 -6.718 -0.399 10.147 156 HG LEU 20 HG LEU 20 -5.344 2.304 10.464 157 HD11 LEU 20 1HD1 LEU 20 -7.206 0.760 12.306 158 HD12 LEU 20 2HD1 LEU 20 -7.529 2.315 11.525 159 HD13 LEU 20 3HD1 LEU 20 -6.290 2.208 12.787 160 HD21 LEU 20 3HD2 LEU 20 -3.743 0.468 10.778 161 HD22 LEU 20 1HD2 LEU 20 -4.849 -0.350 11.899 162 HD23 LEU 20 2HD2 LEU 20 -4.116 1.212 12.339 163 H GLU 21 H GLU 21 -6.731 -1.665 7.954 164 HA GLU 21 HA GLU 21 -5.051 -3.773 8.793 165 HB2 GLU 21 1HB GLU 21 -7.276 -3.689 6.701 166 HB3 GLU 21 2HB GLU 21 -6.664 -5.148 7.481 167 HG2 GLU 21 1HG GLU 21 -8.068 -2.822 8.924 168 HG3 GLU 21 2HG GLU 21 -8.809 -4.307 8.442 169 H LEU 22 H LEU 22 -5.517 -2.235 5.631 170 HA LEU 22 HA LEU 22 -3.878 -3.952 4.030 171 HB2 LEU 22 1HB LEU 22 -5.171 -1.295 3.812 172 HB3 LEU 22 2HB LEU 22 -3.673 -1.346 2.920 173 HG LEU 22 HG LEU 22 -5.710 -3.555 2.604 174 HD11 LEU 22 1HD1 LEU 22 -5.647 -0.901 1.111 175 HD12 LEU 22 2HD1 LEU 22 -6.894 -1.453 2.259 176 HD13 LEU 22 3HD1 LEU 22 -6.696 -2.302 0.732 177 HD21 LEU 22 3HD2 LEU 22 -3.579 -2.483 0.751 178 HD22 LEU 22 1HD2 LEU 22 -4.805 -3.678 0.299 179 HD23 LEU 22 2HD2 LEU 22 -3.611 -4.074 1.562 180 H GLU 23 H GLU 23 -3.203 -1.030 5.839 181 HA GLU 23 HA GLU 23 -0.374 -0.924 5.081 182 HB2 GLU 23 1HB GLU 23 -2.027 0.605 7.140 183 HB3 GLU 23 2HB GLU 23 -0.272 0.763 7.014 184 HG2 GLU 23 1HG GLU 23 -0.629 1.202 4.500 185 HG3 GLU 23 2HG GLU 23 -2.335 1.358 4.836 186 H LYS 24 H LYS 24 -2.192 -2.226 7.773 187 HA LYS 24 HA LYS 24 0.017 -2.790 9.499 188 HB2 LYS 24 1HB LYS 24 -2.333 -2.756 10.273 189 HB3 LYS 24 2HB LYS 24 -2.746 -4.109 9.235 190 HG2 LYS 24 1HG LYS 24 -1.498 -5.667 10.545 191 HG3 LYS 24 2HG LYS 24 -0.682 -4.368 11.436 192 HD2 LYS 24 1HD LYS 24 -2.766 -3.652 12.453 193 HD3 LYS 24 2HD LYS 24 -3.687 -4.847 11.518 194 HE2 LYS 24 1HE LYS 24 -2.704 -6.679 12.681 195 HE3 LYS 24 2HE LYS 24 -1.430 -5.668 13.391 196 HZ1 LYS 24 3HZ LYS 24 -3.276 -6.187 14.941 197 HZ2 LYS 24 1HZ LYS 24 -4.290 -5.280 13.986 198 HZ3 LYS 24 2HZ LYS 24 -3.010 -4.585 14.738 199 H GLU 25 H GLU 25 -1.879 -5.014 7.406 200 HA GLU 25 HA GLU 25 0.044 -7.183 7.409 201 HB2 GLU 25 1HB GLU 25 -2.241 -6.381 5.591 202 HB3 GLU 25 2HB GLU 25 -1.235 -7.824 5.350 203 HG2 GLU 25 1HG GLU 25 -2.731 -7.322 7.938 204 HG3 GLU 25 2HG GLU 25 -3.379 -8.256 6.584 205 H PHE 26 H PHE 26 0.315 -4.051 5.793 206 HA PHE 26 HA PHE 26 1.989 -5.160 3.724 207 HB2 PHE 26 1HB PHE 26 1.067 -2.592 4.266 208 HB3 PHE 26 2HB PHE 26 2.806 -2.485 4.516 209 HD1 PHE 26 1HD PHE 26 0.161 -3.655 2.153 210 HD2 PHE 26 2HD PHE 26 4.332 -2.663 2.615 211 HE1 PHE 26 1HE PHE 26 0.540 -3.985 -0.290 212 HE2 PHE 26 2HE PHE 26 4.627 -2.799 0.162 213 HZ PHE 26 HZ PHE 26 2.742 -3.483 -1.288 214 H HIS 27 H HIS 27 2.482 -4.720 7.119 215 HA HIS 27 HA HIS 27 5.348 -4.914 7.147 216 HB2 HIS 27 1HB HIS 27 3.684 -4.156 8.958 217 HB3 HIS 27 2HB HIS 27 3.362 -5.855 9.236 218 HD1 HIS 27 1HD HIS 27 7.062 -5.114 8.648 219 HD2 HIS 27 2HD HIS 27 4.220 -5.289 11.758 220 HE1 HIS 27 1HE HIS 27 8.369 -5.051 10.822 221 H CYS 28 H CYS 28 2.664 -7.254 6.879 222 HA CYS 28 HA CYS 28 4.362 -9.533 7.510 223 HB2 CYS 28 1HB CYS 28 1.779 -9.066 7.958 224 HB3 CYS 28 2HB CYS 28 1.577 -9.735 6.342 225 HG CYS 28 HG CYS 28 3.133 -11.047 8.983 226 H LYS 29 H LYS 29 3.102 -7.960 4.589 227 HA LYS 29 HA LYS 29 4.430 -9.789 2.719 228 HB2 LYS 29 1HB LYS 29 2.184 -10.463 1.758 229 HB3 LYS 29 2HB LYS 29 2.533 -11.160 3.321 230 HG2 LYS 29 1HG LYS 29 0.620 -10.237 4.262 231 HG3 LYS 29 2HG LYS 29 1.192 -8.715 3.847 232 HD2 LYS 29 1HD LYS 29 -0.005 -10.090 1.524 233 HD3 LYS 29 2HD LYS 29 -1.071 -9.649 2.855 234 HE2 LYS 29 1HE LYS 29 0.848 -7.709 1.483 235 HE3 LYS 29 2HE LYS 29 -0.864 -7.882 1.106 236 HZ1 LYS 29 3HZ LYS 29 -1.406 -7.270 3.335 237 HZ2 LYS 29 1HZ LYS 29 -0.499 -6.070 2.635 238 HZ3 LYS 29 2HZ LYS 29 0.191 -7.093 3.722 239 H LYS 30 H LYS 30 4.170 -8.974 0.506 240 HA LYS 30 HA LYS 30 3.829 -6.041 0.632 241 HB2 LYS 30 1HB LYS 30 6.051 -7.353 0.543 242 HB3 LYS 30 2HB LYS 30 5.714 -7.601 -1.161 243 HG2 LYS 30 1HG LYS 30 5.429 -4.800 -0.164 244 HG3 LYS 30 2HG LYS 30 7.022 -5.453 0.046 245 HD2 LYS 30 1HD LYS 30 6.040 -6.011 -2.689 246 HD3 LYS 30 2HD LYS 30 5.900 -4.302 -2.285 247 HE2 LYS 30 1HE LYS 30 8.087 -4.810 -3.321 248 HE3 LYS 30 2HE LYS 30 8.221 -4.155 -1.683 249 HZ1 LYS 30 3HZ LYS 30 8.275 -6.721 -1.105 250 HZ2 LYS 30 1HZ LYS 30 9.604 -5.844 -1.456 251 HZ3 LYS 30 2HZ LYS 30 8.932 -6.820 -2.605 252 H TYR 31 H TYR 31 1.989 -8.284 -0.717 253 HA TYR 31 HA TYR 31 1.346 -6.780 -3.192 254 HB2 TYR 31 1HB TYR 31 0.942 -9.124 -4.212 255 HB3 TYR 31 2HB TYR 31 2.584 -8.547 -4.068 256 HD1 TYR 31 1HD TYR 31 0.095 -10.919 -2.586 257 HD2 TYR 31 2HD TYR 31 4.200 -9.578 -2.631 258 HE1 TYR 31 1HE TYR 31 0.735 -12.848 -1.176 259 HE2 TYR 31 2HE TYR 31 4.837 -11.475 -1.193 260 HH TYR 31 HH TYR 31 2.453 -13.893 -0.022 261 H LEU 32 H LEU 32 -0.930 -8.440 -3.833 262 HA LEU 32 HA LEU 32 -2.302 -9.207 -1.448 263 HB2 LEU 32 1HB LEU 32 -2.881 -6.565 -2.250 264 HB3 LEU 32 2HB LEU 32 -4.186 -7.542 -2.929 265 HG LEU 32 HG LEU 32 -4.609 -8.482 -0.709 266 HD11 LEU 32 1HD1 LEU 32 -2.637 -6.368 0.222 267 HD12 LEU 32 2HD1 LEU 32 -2.614 -8.134 0.506 268 HD13 LEU 32 3HD1 LEU 32 -3.843 -7.149 1.268 269 HD21 LEU 32 3HD2 LEU 32 -4.812 -5.464 -1.015 270 HD22 LEU 32 1HD2 LEU 32 -5.759 -6.460 0.131 271 HD23 LEU 32 2HD2 LEU 32 -5.974 -6.661 -1.614 272 H SER 33 H SER 33 -2.389 -11.198 -2.358 273 HA SER 33 HA SER 33 -4.161 -11.728 -4.484 274 HB2 SER 33 1HB SER 33 -1.177 -11.967 -5.055 275 HB3 SER 33 2HB SER 33 -2.305 -13.100 -5.813 276 HG SER 33 HG SER 33 -1.968 -11.287 -7.135 277 H LEU 34 H LEU 34 -3.925 -14.209 -5.037 278 HA LEU 34 HA LEU 34 -4.343 -16.257 -4.460 279 HB2 LEU 34 1HB LEU 34 -2.129 -15.887 -2.464 280 HB3 LEU 34 2HB LEU 34 -2.908 -17.426 -2.854 281 HG LEU 34 HG LEU 34 -2.271 -16.432 -5.388 282 HD11 LEU 34 1HD1 LEU 34 -0.949 -14.582 -4.311 283 HD12 LEU 34 2HD1 LEU 34 0.007 -15.648 -5.343 284 HD13 LEU 34 3HD1 LEU 34 0.096 -15.805 -3.571 285 HD21 LEU 34 3HD2 LEU 34 -0.604 -18.255 -3.631 286 HD22 LEU 34 1HD2 LEU 34 -0.529 -18.139 -5.413 287 HD23 LEU 34 2HD2 LEU 34 -2.010 -18.709 -4.622 288 H THR 35 H THR 35 -3.654 -15.414 -1.063 289 HA THR 35 HA THR 35 -6.530 -15.994 -0.528 290 HB THR 35 HB THR 35 -4.490 -17.162 0.571 291 HG1 THR 35 1HG THR 35 -6.557 -16.126 2.231 292 HG21 THR 35 3HG2 THR 35 -3.226 -15.162 1.167 293 HG22 THR 35 1HG2 THR 35 -3.644 -16.060 2.631 294 HG23 THR 35 2HG2 THR 35 -4.554 -14.611 2.218 295 H GLU 36 H GLU 36 -4.419 -13.318 -1.037 296 HA GLU 36 HA GLU 36 -5.397 -11.890 1.339 297 HB2 GLU 36 1HB GLU 36 -3.077 -11.432 -0.538 298 HB3 GLU 36 2HB GLU 36 -3.574 -10.221 0.628 299 HG2 GLU 36 1HG GLU 36 -2.721 -13.045 1.337 300 HG3 GLU 36 2HG GLU 36 -1.748 -11.576 1.479 301 H ARG 37 H ARG 37 -5.634 -11.467 -2.223 302 HA ARG 37 HA ARG 37 -6.480 -8.733 -1.958 303 HB2 ARG 37 1HB ARG 37 -5.854 -9.747 -4.185 304 HB3 ARG 37 2HB ARG 37 -7.316 -10.726 -4.121 305 HG2 ARG 37 1HG ARG 37 -8.733 -8.753 -4.217 306 HG3 ARG 37 2HG ARG 37 -7.333 -7.684 -4.053 307 HD2 ARG 37 1HD ARG 37 -8.149 -7.789 -6.374 308 HD3 ARG 37 2HD ARG 37 -6.479 -8.374 -6.225 309 HE ARG 37 HE ARG 37 -8.524 -10.461 -6.078 310 HH11 ARG 37 1HH1 ARG 37 -6.667 -8.595 -8.459 311 HH12 ARG 37 2HH1 ARG 37 -6.412 -9.965 -9.521 312 HH21 ARG 37 1HH2 ARG 37 -8.367 -12.113 -7.454 313 HH22 ARG 37 2HH2 ARG 37 -7.346 -12.105 -8.867 314 H SER 38 H SER 38 -8.217 -11.848 -1.971 315 HA SER 38 HA SER 38 -10.803 -10.628 -1.501 316 HB2 SER 38 1HB SER 38 -11.319 -13.159 -1.193 317 HB3 SER 38 2HB SER 38 -10.837 -12.545 -2.776 318 HG SER 38 HG SER 38 -9.367 -14.040 -0.899 319 H GLN 39 H GLN 39 -8.236 -10.645 0.623 320 HA GLN 39 HA GLN 39 -9.920 -11.273 2.972 321 HB2 GLN 39 1HB GLN 39 -7.034 -10.379 2.732 322 HB3 GLN 39 2HB GLN 39 -7.938 -10.306 4.240 323 HG2 GLN 39 1HG GLN 39 -8.165 -12.924 2.866 324 HG3 GLN 39 2HG GLN 39 -6.531 -12.483 3.306 325 HE21 GLN 39 1HE2 GLN 39 -5.896 -12.891 5.461 326 HE22 GLN 39 2HE2 GLN 39 -7.062 -13.188 6.743 327 H ILE 40 H ILE 40 -7.886 -8.401 2.337 328 HA ILE 40 HA ILE 40 -9.720 -6.791 3.685 329 HB ILE 40 HB ILE 40 -7.560 -5.941 1.738 330 HG12 ILE 40 1HG1 ILE 40 -6.468 -5.129 3.965 331 HG13 ILE 40 2HG1 ILE 40 -7.632 -6.140 4.791 332 HG21 ILE 40 1HG2 ILE 40 -9.272 -4.145 1.982 333 HG22 ILE 40 2HG2 ILE 40 -9.146 -4.267 3.743 334 HG23 ILE 40 3HG2 ILE 40 -7.801 -3.672 2.796 335 HD11 ILE 40 3HD1 ILE 40 -5.353 -7.135 4.405 336 HD12 ILE 40 1HD1 ILE 40 -6.662 -8.144 3.796 337 HD13 ILE 40 2HD1 ILE 40 -5.704 -7.166 2.654 338 H ALA 41 H ALA 41 -9.578 -7.474 0.126 339 HA ALA 41 HA ALA 41 -11.428 -5.478 -0.587 340 HB1 ALA 41 1HB ALA 41 -11.759 -6.620 -2.664 341 HB2 ALA 41 2HB ALA 41 -10.038 -6.715 -2.238 342 HB3 ALA 41 3HB ALA 41 -11.111 -8.128 -2.012 343 H HIS 42 H HIS 42 -12.031 -8.572 1.101 344 HA HIS 42 HA HIS 42 -14.953 -8.114 0.662 345 HB2 HIS 42 1HB HIS 42 -13.572 -10.713 1.336 346 HB3 HIS 42 2HB HIS 42 -15.281 -10.470 1.025 347 HD1 HIS 42 1HD HIS 42 -13.610 -12.546 -0.713 348 HD2 HIS 42 2HD HIS 42 -14.547 -8.565 -1.741 349 HE1 HIS 42 1HE HIS 42 -13.457 -12.380 -3.240 350 H ALA 43 H ALA 43 -12.785 -7.058 2.801 351 HA ALA 43 HA ALA 43 -13.932 -8.307 5.217 352 HB1 ALA 43 1HB ALA 43 -11.471 -8.259 5.063 353 HB2 ALA 43 2HB ALA 43 -11.513 -6.492 4.812 354 HB3 ALA 43 3HB ALA 43 -12.050 -7.188 6.348 355 H LEU 44 H LEU 44 -13.338 -5.126 3.566 356 HA LEU 44 HA LEU 44 -15.009 -3.947 5.765 357 HB2 LEU 44 1HB LEU 44 -12.689 -2.670 4.346 358 HB3 LEU 44 2HB LEU 44 -13.705 -1.945 5.588 359 HG LEU 44 HG LEU 44 -12.697 -4.452 6.634 360 HD11 LEU 44 1HD1 LEU 44 -10.294 -4.034 6.591 361 HD12 LEU 44 2HD1 LEU 44 -10.515 -2.621 5.538 362 HD13 LEU 44 3HD1 LEU 44 -10.927 -4.250 4.959 363 HD21 LEU 44 3HD2 LEU 44 -11.721 -3.004 8.349 364 HD22 LEU 44 1HD2 LEU 44 -13.416 -2.589 7.978 365 HD23 LEU 44 2HD2 LEU 44 -12.080 -1.571 7.374 366 H LYS 45 H LYS 45 -13.963 -2.213 2.904 367 HA LYS 45 HA LYS 45 -16.603 -2.147 1.647 368 HB2 LYS 45 1HB LYS 45 -15.390 0.299 2.929 369 HB3 LYS 45 2HB LYS 45 -16.830 0.282 1.929 370 HG2 LYS 45 1HG LYS 45 -17.915 0.279 3.859 371 HG3 LYS 45 2HG LYS 45 -17.616 -1.414 3.869 372 HD2 LYS 45 1HD LYS 45 -16.588 -1.093 5.907 373 HD3 LYS 45 2HD LYS 45 -15.274 -0.313 5.037 374 HE2 LYS 45 1HE LYS 45 -15.903 1.366 6.540 375 HE3 LYS 45 2HE LYS 45 -16.765 1.825 5.061 376 HZ1 LYS 45 3HZ LYS 45 -17.793 0.512 7.475 377 HZ2 LYS 45 1HZ LYS 45 -18.629 0.394 6.084 378 HZ3 LYS 45 2HZ LYS 45 -18.383 1.889 6.748 379 H LEU 46 H LEU 46 -14.293 -3.111 0.620 380 HA LEU 46 HA LEU 46 -13.203 -0.962 -1.174 381 HB2 LEU 46 1HB LEU 46 -11.942 -3.544 -0.200 382 HB3 LEU 46 2HB LEU 46 -11.291 -2.553 -1.489 383 HG LEU 46 HG LEU 46 -11.263 -0.624 0.290 384 HD11 LEU 46 1HD1 LEU 46 -11.469 -3.116 2.012 385 HD12 LEU 46 2HD1 LEU 46 -12.371 -1.587 2.154 386 HD13 LEU 46 3HD1 LEU 46 -10.655 -1.653 2.571 387 HD21 LEU 46 3HD2 LEU 46 -9.392 -2.999 0.094 388 HD22 LEU 46 1HD2 LEU 46 -8.982 -1.536 1.001 389 HD23 LEU 46 2HD2 LEU 46 -9.275 -1.432 -0.730 390 H SER 47 H SER 47 -12.360 -2.137 -3.299 391 HA SER 47 HA SER 47 -14.237 -4.183 -4.299 392 HB2 SER 47 1HB SER 47 -13.669 -1.482 -5.587 393 HB3 SER 47 2HB SER 47 -14.571 -2.809 -6.301 394 HG SER 47 HG SER 47 -15.859 -1.148 -5.366 395 H GLU 48 H GLU 48 -13.028 -5.628 -5.551 396 HA GLU 48 HA GLU 48 -10.279 -5.717 -5.424 397 HB2 GLU 48 1HB GLU 48 -12.060 -6.830 -7.612 398 HB3 GLU 48 2HB GLU 48 -10.385 -7.311 -7.334 399 HG2 GLU 48 1HG GLU 48 -10.961 -8.276 -5.164 400 HG3 GLU 48 2HG GLU 48 -12.646 -7.740 -5.341 401 H VAL 49 H VAL 49 -12.206 -4.186 -8.029 402 HA VAL 49 HA VAL 49 -10.028 -3.637 -9.783 403 HB VAL 49 HB VAL 49 -12.653 -2.126 -9.423 404 HG11 VAL 49 1HG1 VAL 49 -11.074 -0.787 -10.720 405 HG12 VAL 49 2HG1 VAL 49 -10.631 -2.197 -11.713 406 HG13 VAL 49 3HG1 VAL 49 -12.257 -1.482 -11.834 407 HG21 VAL 49 3HG2 VAL 49 -11.949 -4.363 -11.368 408 HG22 VAL 49 1HG2 VAL 49 -13.020 -4.545 -9.956 409 HG23 VAL 49 2HG2 VAL 49 -13.486 -3.495 -11.289 410 H GLN 50 H GLN 50 -11.457 -1.709 -7.109 411 HA GLN 50 HA GLN 50 -9.847 0.622 -7.575 412 HB2 GLN 50 1HB GLN 50 -11.960 -0.132 -5.824 413 HB3 GLN 50 2HB GLN 50 -10.628 0.251 -4.767 414 HG2 GLN 50 1HG GLN 50 -11.866 1.995 -6.904 415 HG3 GLN 50 2HG GLN 50 -11.999 2.220 -5.142 416 HE21 GLN 50 1HE2 GLN 50 -9.414 2.188 -4.190 417 HE22 GLN 50 2HE2 GLN 50 -8.427 3.318 -5.104 418 H VAL 51 H VAL 51 -9.472 -2.298 -5.600 419 HA VAL 51 HA VAL 51 -7.076 -1.590 -4.230 420 HB VAL 51 HB VAL 51 -8.286 -4.277 -5.008 421 HG11 VAL 51 1HG1 VAL 51 -7.027 -5.262 -3.164 422 HG12 VAL 51 2HG1 VAL 51 -5.937 -4.590 -4.376 423 HG13 VAL 51 3HG1 VAL 51 -6.204 -3.713 -2.853 424 HG21 VAL 51 3HG2 VAL 51 -8.462 -2.828 -2.347 425 HG22 VAL 51 1HG2 VAL 51 -9.756 -2.775 -3.548 426 HG23 VAL 51 2HG2 VAL 51 -9.308 -4.313 -2.826 427 H LYS 52 H LYS 52 -7.703 -2.912 -7.486 428 HA LYS 52 HA LYS 52 -5.112 -3.788 -8.104 429 HB2 LYS 52 1HB LYS 52 -7.449 -3.919 -9.355 430 HB3 LYS 52 2HB LYS 52 -6.873 -2.466 -10.176 431 HG2 LYS 52 1HG LYS 52 -4.958 -3.696 -11.067 432 HG3 LYS 52 2HG LYS 52 -5.323 -5.084 -10.041 433 HD2 LYS 52 1HD LYS 52 -6.033 -5.473 -12.361 434 HD3 LYS 52 2HD LYS 52 -7.391 -5.527 -11.231 435 HE2 LYS 52 1HE LYS 52 -8.169 -3.361 -11.895 436 HE3 LYS 52 2HE LYS 52 -6.730 -3.062 -12.881 437 HZ1 LYS 52 3HZ LYS 52 -8.454 -5.386 -13.480 438 HZ2 LYS 52 1HZ LYS 52 -7.433 -4.545 -14.467 439 HZ3 LYS 52 2HZ LYS 52 -8.859 -3.887 -14.016 440 H ILE 53 H ILE 53 -6.514 -0.490 -8.425 441 HA ILE 53 HA ILE 53 -4.068 0.610 -9.506 442 HB ILE 53 HB ILE 53 -6.349 2.066 -8.149 443 HG12 ILE 53 1HG1 ILE 53 -6.536 2.366 -11.009 444 HG13 ILE 53 2HG1 ILE 53 -6.336 0.656 -10.719 445 HG21 ILE 53 1HG2 ILE 53 -5.619 3.971 -9.679 446 HG22 ILE 53 2HG2 ILE 53 -4.500 3.573 -8.380 447 HG23 ILE 53 3HG2 ILE 53 -4.155 3.013 -10.026 448 HD11 ILE 53 3HD1 ILE 53 -8.189 0.780 -9.017 449 HD12 ILE 53 1HD1 ILE 53 -8.460 2.463 -9.502 450 HD13 ILE 53 2HD1 ILE 53 -8.692 1.142 -10.676 451 H TRP 54 H TRP 54 -5.125 -0.180 -6.235 452 HA TRP 54 HA TRP 54 -3.374 1.663 -4.884 453 HB2 TRP 54 1HB TRP 54 -5.377 0.296 -3.962 454 HB3 TRP 54 2HB TRP 54 -4.219 -1.017 -3.791 455 HD1 TRP 54 HD TRP 54 -4.965 2.500 -2.497 456 HE1 TRP 54 1HE TRP 54 -3.873 2.824 -0.189 457 HE3 TRP 54 3HE TRP 54 -2.230 -1.806 -2.307 458 HZ2 TRP 54 2HZ TRP 54 -2.144 1.311 1.578 459 HZ3 TRP 54 3HZ TRP 54 -0.851 -2.315 -0.310 460 HH2 TRP 54 HH TRP 54 -0.809 -0.791 1.635 461 H PHE 55 H PHE 55 -3.006 -1.538 -6.371 462 HA PHE 55 HA PHE 55 -0.334 -2.072 -5.457 463 HB2 PHE 55 1HB PHE 55 -1.406 -2.832 -8.187 464 HB3 PHE 55 2HB PHE 55 -0.132 -3.598 -7.272 465 HD1 PHE 55 1HD PHE 55 -1.872 -3.597 -4.538 466 HD2 PHE 55 2HD PHE 55 -2.578 -4.876 -8.597 467 HE1 PHE 55 1HE PHE 55 -3.547 -5.202 -3.757 468 HE2 PHE 55 2HE PHE 55 -4.197 -6.572 -7.778 469 HZ PHE 55 HZ PHE 55 -4.672 -6.751 -5.347 470 H GLN 56 H GLN 56 -1.588 -0.428 -8.358 471 HA GLN 56 HA GLN 56 0.729 0.326 -9.681 472 HB2 GLN 56 1HB GLN 56 -1.826 0.635 -10.169 473 HB3 GLN 56 2HB GLN 56 -1.623 2.208 -9.449 474 HG2 GLN 56 1HG GLN 56 -1.039 2.966 -11.438 475 HG3 GLN 56 2HG GLN 56 0.494 2.146 -11.239 476 HE21 GLN 56 1HE2 GLN 56 -2.856 1.757 -12.377 477 HE22 GLN 56 2HE2 GLN 56 -2.592 0.342 -13.370 478 H ASN 57 H ASN 57 -0.893 1.905 -6.955 479 HA ASN 57 HA ASN 57 0.825 4.238 -6.883 480 HB2 ASN 57 1HB ASN 57 -1.135 3.072 -4.873 481 HB3 ASN 57 2HB ASN 57 -0.062 4.402 -4.452 482 HD21 ASN 57 1HD2 ASN 57 -2.316 3.539 -7.206 483 HD22 ASN 57 2HD2 ASN 57 -2.657 5.216 -7.552 484 H ARG 58 H ARG 58 1.058 1.021 -5.328 485 HA ARG 58 HA ARG 58 3.448 1.794 -3.823 486 HB2 ARG 58 1HB ARG 58 1.586 -0.017 -3.246 487 HB3 ARG 58 2HB ARG 58 2.591 -1.072 -4.231 488 HG2 ARG 58 1HG ARG 58 3.541 -1.472 -2.168 489 HG3 ARG 58 2HG ARG 58 4.566 -0.125 -2.644 490 HD2 ARG 58 1HD ARG 58 3.025 1.424 -1.393 491 HD3 ARG 58 2HD ARG 58 2.077 0.004 -0.909 492 HE ARG 58 HE ARG 58 4.874 -0.247 -0.171 493 HH11 ARG 58 1HH1 ARG 58 1.688 1.056 0.898 494 HH12 ARG 58 2HH1 ARG 58 2.121 0.855 2.589 495 HH21 ARG 58 1HH2 ARG 58 5.397 -0.185 2.161 496 HH22 ARG 58 2HH2 ARG 58 4.092 0.213 3.241 497 H ARG 59 H ARG 59 3.360 1.788 -6.982 498 HA ARG 59 HA ARG 59 6.006 0.369 -7.202 499 HB2 ARG 59 1HB ARG 59 4.280 1.221 -9.518 500 HB3 ARG 59 2HB ARG 59 5.727 0.212 -9.553 501 HG2 ARG 59 1HG ARG 59 4.338 -1.458 -8.097 502 HG3 ARG 59 2HG ARG 59 2.957 -0.451 -8.546 503 HD2 ARG 59 1HD ARG 59 2.859 -2.095 -10.161 504 HD3 ARG 59 2HD ARG 59 3.695 -0.803 -11.006 505 HE ARG 59 HE ARG 59 5.563 -2.119 -11.189 506 HH11 ARG 59 1HH1 ARG 59 3.269 -3.671 -9.024 507 HH12 ARG 59 2HH1 ARG 59 4.106 -5.166 -8.889 508 HH21 ARG 59 1HH2 ARG 59 6.895 -3.976 -10.838 509 HH22 ARG 59 2HH2 ARG 59 6.335 -5.304 -9.927 510 H ALA 60 H ALA 60 4.279 3.358 -8.099 511 HA ALA 60 HA ALA 60 6.701 4.516 -9.308 512 HB1 ALA 60 1HB ALA 60 4.515 4.744 -10.415 513 HB2 ALA 60 2HB ALA 60 3.870 5.600 -8.994 514 HB3 ALA 60 3HB ALA 60 5.167 6.328 -9.967 515 H LYS 61 H LYS 61 5.505 4.393 -6.177 516 HA LYS 61 HA LYS 61 5.879 6.943 -5.119 517 HB2 LYS 61 1HB LYS 61 4.898 5.138 -3.862 518 HB3 LYS 61 2HB LYS 61 6.405 4.225 -3.920 519 HG2 LYS 61 1HG LYS 61 7.492 6.235 -2.677 520 HG3 LYS 61 2HG LYS 61 5.887 6.969 -2.598 521 HD2 LYS 61 1HD LYS 61 5.130 5.105 -1.145 522 HD3 LYS 61 2HD LYS 61 6.738 4.351 -1.347 523 HE2 LYS 61 1HE LYS 61 7.784 6.447 -0.429 524 HE3 LYS 61 2HE LYS 61 6.170 7.105 -0.126 525 HZ1 LYS 61 3HZ LYS 61 7.208 4.627 1.114 526 HZ2 LYS 61 1HZ LYS 61 5.812 5.379 1.508 527 HZ3 LYS 61 2HZ LYS 61 7.215 6.128 1.834 528 H TRP 62 H TRP 62 8.444 4.354 -5.145 529 HA TRP 62 HA TRP 62 10.412 6.229 -4.300 530 HB2 TRP 62 1HB TRP 62 11.053 3.659 -5.754 531 HB3 TRP 62 2HB TRP 62 12.009 4.504 -4.541 532 HD1 TRP 62 HD TRP 62 11.099 4.309 -1.963 533 HE1 TRP 62 1HE TRP 62 9.677 2.514 -0.797 534 HE3 TRP 62 3HE TRP 62 9.283 1.931 -6.093 535 HZ2 TRP 62 2HZ TRP 62 7.852 0.421 -1.586 536 HZ3 TRP 62 3HZ TRP 62 7.766 -0.008 -5.869 537 HH2 TRP 62 HH TRP 62 7.039 -0.777 -3.613 538 H LYS 63 H LYS 63 9.485 5.104 -7.607 539 HA LYS 63 HA LYS 63 11.782 6.118 -8.902 540 HB2 LYS 63 1HB LYS 63 9.008 5.241 -9.704 541 HB3 LYS 63 2HB LYS 63 9.831 6.337 -10.783 542 HG2 LYS 63 1HG LYS 63 10.514 4.360 -11.637 543 HG3 LYS 63 2HG LYS 63 11.883 4.760 -10.623 544 HD2 LYS 63 1HD LYS 63 11.151 3.135 -8.917 545 HD3 LYS 63 2HD LYS 63 9.624 2.883 -9.781 546 HE2 LYS 63 1HE LYS 63 11.386 2.394 -11.810 547 HE3 LYS 63 2HE LYS 63 12.399 1.911 -10.455 548 HZ1 LYS 63 3HZ LYS 63 10.669 0.321 -9.840 549 HZ2 LYS 63 1HZ LYS 63 11.092 0.100 -11.418 550 HZ3 LYS 63 2HZ LYS 63 9.692 0.880 -11.048 551 H ARG 64 H ARG 64 8.725 7.892 -7.990 552 HA ARG 64 HA ARG 64 9.519 10.255 -9.379 553 HB2 ARG 64 1HB ARG 64 7.742 9.737 -7.059 554 HB3 ARG 64 2HB ARG 64 8.134 11.392 -7.481 555 HG2 ARG 64 1HG ARG 64 7.453 10.214 -9.958 556 HG3 ARG 64 2HG ARG 64 6.299 9.519 -8.822 557 HD2 ARG 64 1HD ARG 64 6.906 12.490 -9.166 558 HD3 ARG 64 2HD ARG 64 5.543 11.667 -9.924 559 HE ARG 64 HE ARG 64 5.107 11.038 -7.374 560 HH11 ARG 64 1HH1 ARG 64 5.959 14.279 -8.652 561 HH12 ARG 64 2HH1 ARG 64 4.766 15.105 -7.729 562 HH21 ARG 64 1HH2 ARG 64 3.580 12.125 -6.137 563 HH22 ARG 64 2HH2 ARG 64 3.432 13.843 -6.140 564 H ILE 65 H ILE 65 11.225 8.868 -6.815 565 HA ILE 65 HA ILE 65 12.632 11.429 -6.262 566 HB ILE 65 HB ILE 65 12.897 8.852 -4.689 567 HG12 ILE 65 1HG1 ILE 65 10.864 11.092 -4.306 568 HG13 ILE 65 2HG1 ILE 65 10.561 9.359 -4.489 569 HG21 ILE 65 1HG2 ILE 65 13.898 10.290 -3.016 570 HG22 ILE 65 2HG2 ILE 65 14.677 10.644 -4.548 571 HG23 ILE 65 3HG2 ILE 65 13.449 11.755 -3.937 572 HD11 ILE 65 3HD1 ILE 65 11.828 9.051 -2.279 573 HD12 ILE 65 1HD1 ILE 65 11.646 10.811 -2.096 574 HD13 ILE 65 2HD1 ILE 65 10.208 9.786 -2.222 575 H LYS 66 H LYS 66 12.927 8.009 -7.170 576 HA LYS 66 HA LYS 66 15.762 8.054 -7.580 577 HB2 LYS 66 1HB LYS 66 13.794 6.136 -7.113 578 HB3 LYS 66 2HB LYS 66 14.223 5.814 -8.782 579 HG2 LYS 66 1HG LYS 66 16.193 6.006 -6.451 580 HG3 LYS 66 2HG LYS 66 15.457 4.503 -7.024 581 HD2 LYS 66 1HD LYS 66 16.453 4.907 -9.275 582 HD3 LYS 66 2HD LYS 66 17.320 6.312 -8.596 583 HE2 LYS 66 1HE LYS 66 18.382 4.847 -6.899 584 HE3 LYS 66 2HE LYS 66 17.599 3.439 -7.633 585 HZ1 LYS 66 3HZ LYS 66 18.875 3.855 -9.649 586 HZ2 LYS 66 1HZ LYS 66 19.909 3.774 -8.372 587 HZ3 LYS 66 2HZ LYS 66 19.526 5.213 -9.020 588 H ALA 67 H ALA 67 13.258 9.156 -9.718 589 HA ALA 67 HA ALA 67 14.950 8.631 -12.112 590 HB1 ALA 67 1HB ALA 67 13.069 6.995 -11.937 591 HB2 ALA 67 2HB ALA 67 11.923 8.359 -11.927 592 HB3 ALA 67 3HB ALA 67 12.946 8.073 -13.339 593 H GLY 68 H GLY 68 15.812 10.729 -11.906 594 HA2 GLY 68 1HA GLY 68 14.214 13.092 -12.113 595 HA3 GLY 68 2HA GLY 68 15.939 12.899 -12.462 596 H ASN 69 H ASN 69 14.861 14.518 -14.086 597 HA ASN 69 HA ASN 69 14.899 13.345 -16.674 598 HB2 ASN 69 1HB ASN 69 12.383 13.164 -15.789 599 HB3 ASN 69 2HB ASN 69 12.352 14.905 -16.077 600 HD21 ASN 69 1HD2 ASN 69 12.134 15.637 -18.276 601 HD22 ASN 69 2HD2 ASN 69 12.015 14.472 -19.587 602 H VAL 70 H VAL 70 14.889 15.182 -18.314 603 HA VAL 70 HA VAL 70 15.884 17.718 -17.337 604 HB VAL 70 HB VAL 70 16.576 16.956 -19.487 605 HG11 VAL 70 1HG1 VAL 70 15.138 16.735 -21.438 606 HG12 VAL 70 2HG1 VAL 70 14.627 15.591 -20.198 607 HG13 VAL 70 3HG1 VAL 70 13.699 17.085 -20.476 608 HG21 VAL 70 3HG2 VAL 70 16.375 19.384 -19.139 609 HG22 VAL 70 1HG2 VAL 70 16.129 18.942 -20.838 610 HG23 VAL 70 2HG2 VAL 70 14.736 19.356 -19.818 611 H SER 71 H SER 71 14.704 19.300 -16.512 612 HA SER 71 HA SER 71 12.022 18.969 -15.730 613 HB2 SER 71 1HB SER 71 13.705 21.504 -16.032 614 HB3 SER 71 2HB SER 71 12.228 21.334 -15.067 615 HG SER 71 HG SER 71 13.310 20.416 -13.547 Start of MODEL 5 1 H1 SER 1 H SER 1 -8.102 5.557 15.949 2 HA SER 1 HA SER 1 -6.797 4.887 14.087 3 HB2 SER 1 1HB SER 1 -8.896 3.940 12.942 4 HB3 SER 1 2HB SER 1 -9.107 5.564 12.254 5 HG SER 1 HG SER 1 -6.995 3.707 11.872 6 H ALA 2 H ALA 2 -5.378 6.441 13.223 7 HA ALA 2 HA ALA 2 -5.750 9.148 14.021 8 HB1 ALA 2 1HB ALA 2 -3.836 7.891 11.993 9 HB2 ALA 2 2HB ALA 2 -3.732 9.564 12.574 10 HB3 ALA 2 3HB ALA 2 -3.522 8.237 13.715 11 HA PRO 3 HA PRO 3 -8.174 10.672 10.615 12 HB2 PRO 3 1HB PRO 3 -7.518 13.336 10.526 13 HB3 PRO 3 2HB PRO 3 -8.481 12.607 11.847 14 HG2 PRO 3 1HG PRO 3 -5.493 13.159 11.810 15 HG3 PRO 3 2HG PRO 3 -6.681 13.583 13.085 16 HD2 PRO 3 1HD PRO 3 -5.147 11.352 13.274 17 HD3 PRO 3 2HD PRO 3 -6.859 11.333 13.787 18 H GLY 4 H GLY 4 -4.696 10.842 10.553 19 HA2 GLY 4 1HA GLY 4 -4.126 9.810 8.236 20 HA3 GLY 4 2HA GLY 4 -4.540 11.447 7.665 21 H GLY 5 H GLY 5 -3.431 13.270 8.779 22 HA2 GLY 5 1HA GLY 5 -1.527 14.395 9.385 23 HA3 GLY 5 2HA GLY 5 -1.410 13.120 10.600 24 H LYS 6 H LYS 6 -0.984 12.837 7.044 25 HA LYS 6 HA LYS 6 1.909 12.266 7.373 26 HB2 LYS 6 1HB LYS 6 -0.203 10.410 6.266 27 HB3 LYS 6 2HB LYS 6 1.469 10.327 5.698 28 HG2 LYS 6 1HG LYS 6 2.319 9.875 7.903 29 HG3 LYS 6 2HG LYS 6 0.734 10.134 8.649 30 HD2 LYS 6 1HD LYS 6 -0.204 8.216 7.593 31 HD3 LYS 6 2HD LYS 6 1.238 7.972 6.571 32 HE2 LYS 6 1HE LYS 6 2.605 7.530 8.551 33 HE3 LYS 6 2HE LYS 6 1.218 7.830 9.610 34 HZ1 LYS 6 3HZ LYS 6 1.565 5.503 9.302 35 HZ2 LYS 6 1HZ LYS 6 1.522 5.604 7.686 36 HZ3 LYS 6 2HZ LYS 6 0.149 5.893 8.521 37 H SER 7 H SER 7 3.130 12.671 5.535 38 HA SER 7 HA SER 7 2.171 14.425 3.482 39 HB2 SER 7 1HB SER 7 4.470 13.795 2.527 40 HB3 SER 7 2HB SER 7 4.423 14.621 4.087 41 HG SER 7 HG SER 7 4.724 11.822 3.675 42 H ARG 8 H ARG 8 0.508 13.553 2.205 43 HA ARG 8 HA ARG 8 0.956 10.967 0.822 44 HB2 ARG 8 1HB ARG 8 -1.099 10.011 1.615 45 HB3 ARG 8 2HB ARG 8 -0.128 10.464 3.000 46 HG2 ARG 8 1HG ARG 8 -1.926 11.498 3.848 47 HG3 ARG 8 2HG ARG 8 -1.709 12.753 2.641 48 HD2 ARG 8 1HD ARG 8 -3.998 12.015 2.539 49 HD3 ARG 8 2HD ARG 8 -3.206 11.444 1.083 50 HE ARG 8 HE ARG 8 -3.197 9.240 1.894 51 HH11 ARG 8 1HH1 ARG 8 -5.007 11.381 4.172 52 HH12 ARG 8 2HH1 ARG 8 -5.944 10.041 4.760 53 HH21 ARG 8 1HH2 ARG 8 -3.944 7.534 3.250 54 HH22 ARG 8 2HH2 ARG 8 -5.022 7.918 4.537 55 H ARG 9 H ARG 9 -1.123 10.568 -0.652 56 HA ARG 9 HA ARG 9 -1.993 13.152 -1.894 57 HB2 ARG 9 1HB ARG 9 -0.522 10.812 -3.017 58 HB3 ARG 9 2HB ARG 9 -1.888 11.332 -3.983 59 HG2 ARG 9 1HG ARG 9 0.090 13.417 -3.026 60 HG3 ARG 9 2HG ARG 9 0.498 12.377 -4.391 61 HD2 ARG 9 1HD ARG 9 -1.534 13.053 -5.602 62 HD3 ARG 9 2HD ARG 9 -2.051 14.003 -4.206 63 HE ARG 9 HE ARG 9 -0.825 15.720 -4.879 64 HH11 ARG 9 1HH1 ARG 9 0.465 12.873 -6.656 65 HH12 ARG 9 2HH1 ARG 9 1.438 13.845 -7.690 66 HH21 ARG 9 1HH2 ARG 9 0.537 16.935 -6.201 67 HH22 ARG 9 2HH2 ARG 9 1.557 16.200 -7.406 68 H ARG 10 H ARG 10 -4.150 13.301 -1.472 69 HA ARG 10 HA ARG 10 -5.938 10.976 -1.358 70 HB2 ARG 10 1HB ARG 10 -6.267 13.968 -1.412 71 HB3 ARG 10 2HB ARG 10 -7.651 12.959 -1.731 72 HG2 ARG 10 1HG ARG 10 -6.050 12.513 0.811 73 HG3 ARG 10 2HG ARG 10 -7.220 13.819 0.672 74 HD2 ARG 10 1HD ARG 10 -8.897 12.011 -0.132 75 HD3 ARG 10 2HD ARG 10 -7.760 10.843 0.522 76 HE ARG 10 HE ARG 10 -8.394 12.960 2.392 77 HH11 ARG 10 1HH1 ARG 10 -10.100 10.122 0.963 78 HH12 ARG 10 2HH1 ARG 10 -10.947 9.850 2.456 79 HH21 ARG 10 1HH2 ARG 10 -9.865 12.556 4.237 80 HH22 ARG 10 2HH2 ARG 10 -10.903 11.201 4.113 81 H ARG 11 H ARG 11 -5.290 9.904 -3.304 82 HA ARG 11 HA ARG 11 -6.929 10.863 -5.592 83 HB2 ARG 11 1HB ARG 11 -4.098 9.750 -5.819 84 HB3 ARG 11 2HB ARG 11 -5.247 9.806 -7.164 85 HG2 ARG 11 1HG ARG 11 -5.469 12.271 -6.889 86 HG3 ARG 11 2HG ARG 11 -4.183 12.222 -5.661 87 HD2 ARG 11 1HD ARG 11 -2.603 11.339 -7.275 88 HD3 ARG 11 2HD ARG 11 -3.857 11.197 -8.513 89 HE ARG 11 HE ARG 11 -4.036 13.803 -7.973 90 HH11 ARG 11 1HH1 ARG 11 -1.071 11.900 -8.546 91 HH12 ARG 11 2HH1 ARG 11 -0.293 13.136 -9.461 92 HH21 ARG 11 1HH2 ARG 11 -2.968 15.453 -9.111 93 HH22 ARG 11 2HH2 ARG 11 -1.389 15.210 -9.775 94 H THR 12 H THR 12 -7.329 8.975 -3.272 95 HA THR 12 HA THR 12 -8.037 6.549 -4.814 96 HB THR 12 HB THR 12 -6.613 6.583 -2.118 97 HG1 THR 12 1HG THR 12 -4.986 5.498 -3.342 98 HG21 THR 12 3HG2 THR 12 -6.535 4.200 -2.278 99 HG22 THR 12 1HG2 THR 12 -7.496 4.211 -3.770 100 HG23 THR 12 2HG2 THR 12 -8.199 4.740 -2.221 101 H ALA 13 H ALA 13 -9.869 5.482 -3.963 102 HA ALA 13 HA ALA 13 -11.638 7.200 -2.311 103 HB1 ALA 13 1HB ALA 13 -12.273 6.835 -4.660 104 HB2 ALA 13 2HB ALA 13 -12.269 5.080 -4.392 105 HB3 ALA 13 3HB ALA 13 -13.429 6.120 -3.533 106 H PHE 14 H PHE 14 -10.007 6.035 -0.638 107 HA PHE 14 HA PHE 14 -11.712 4.040 0.691 108 HB2 PHE 14 1HB PHE 14 -8.676 4.053 0.831 109 HB3 PHE 14 2HB PHE 14 -9.737 2.917 1.642 110 HD1 PHE 14 2HD PHE 14 -11.575 2.024 -0.525 111 HD2 PHE 14 1HD PHE 14 -7.357 2.819 -0.597 112 HE1 PHE 14 2HE PHE 14 -11.322 0.480 -2.445 113 HE2 PHE 14 1HE PHE 14 -7.097 1.324 -2.538 114 HZ PHE 14 HZ PHE 14 -9.051 0.089 -3.432 115 H THR 15 H THR 15 -10.981 4.115 3.148 116 HA THR 15 HA THR 15 -10.947 6.981 3.917 117 HB THR 15 HB THR 15 -12.360 6.265 5.738 118 HG1 THR 15 1HG THR 15 -13.088 4.030 5.635 119 HG21 THR 15 3HG2 THR 15 -13.429 4.949 3.212 120 HG22 THR 15 1HG2 THR 15 -13.388 6.714 3.466 121 HG23 THR 15 2HG2 THR 15 -14.357 5.687 4.523 122 H SER 16 H SER 16 -10.127 7.213 6.402 123 HA SER 16 HA SER 16 -7.390 6.279 6.350 124 HB2 SER 16 1HB SER 16 -7.888 7.287 8.906 125 HB3 SER 16 2HB SER 16 -7.232 8.142 7.487 126 HG SER 16 HG SER 16 -9.837 8.181 8.594 127 H GLU 17 H GLU 17 -10.335 5.276 8.015 128 HA GLU 17 HA GLU 17 -9.152 3.436 9.873 129 HB2 GLU 17 1HB GLU 17 -11.869 3.993 8.667 130 HB3 GLU 17 2HB GLU 17 -11.597 2.445 9.511 131 HG2 GLU 17 1HG GLU 17 -10.873 3.642 11.529 132 HG3 GLU 17 2HG GLU 17 -11.119 5.194 10.718 133 H GLN 18 H GLN 18 -10.602 3.032 6.584 134 HA GLN 18 HA GLN 18 -10.292 0.233 6.501 135 HB2 GLN 18 1HB GLN 18 -10.495 2.416 4.393 136 HB3 GLN 18 2HB GLN 18 -10.319 0.733 3.919 137 HG2 GLN 18 1HG GLN 18 -12.322 0.072 5.108 138 HG3 GLN 18 2HG GLN 18 -12.457 1.626 5.898 139 HE21 GLN 18 1HE2 GLN 18 -12.309 0.387 2.451 140 HE22 GLN 18 2HE2 GLN 18 -13.718 1.310 2.001 141 H LEU 19 H LEU 19 -7.980 2.777 5.906 142 HA LEU 19 HA LEU 19 -5.770 1.141 4.951 143 HB2 LEU 19 1HB LEU 19 -6.276 3.981 5.809 144 HB3 LEU 19 2HB LEU 19 -4.620 3.432 5.743 145 HG LEU 19 HG LEU 19 -4.589 3.086 3.468 146 HD11 LEU 19 1HD1 LEU 19 -6.439 3.039 1.913 147 HD12 LEU 19 2HD1 LEU 19 -7.612 3.403 3.198 148 HD13 LEU 19 3HD1 LEU 19 -6.768 1.859 3.148 149 HD21 LEU 19 3HD2 LEU 19 -6.434 5.467 3.961 150 HD22 LEU 19 1HD2 LEU 19 -5.261 5.308 2.635 151 HD23 LEU 19 2HD2 LEU 19 -4.704 5.442 4.307 152 H LEU 20 H LEU 20 -7.169 0.479 7.761 153 HA LEU 20 HA LEU 20 -4.703 0.296 9.359 154 HB2 LEU 20 1HB LEU 20 -7.621 -0.432 9.706 155 HB3 LEU 20 2HB LEU 20 -6.448 -1.381 10.557 156 HG LEU 20 HG LEU 20 -6.303 1.650 10.718 157 HD11 LEU 20 1HD1 LEU 20 -7.970 -0.156 12.509 158 HD12 LEU 20 2HD1 LEU 20 -8.585 1.090 11.405 159 HD13 LEU 20 3HD1 LEU 20 -7.611 1.549 12.817 160 HD21 LEU 20 3HD2 LEU 20 -4.352 0.369 11.540 161 HD22 LEU 20 1HD2 LEU 20 -5.421 -0.649 12.519 162 HD23 LEU 20 2HD2 LEU 20 -5.230 1.063 12.905 163 H GLU 21 H GLU 21 -7.056 -1.927 7.758 164 HA GLU 21 HA GLU 21 -5.410 -4.229 8.215 165 HB2 GLU 21 1HB GLU 21 -7.635 -3.831 6.193 166 HB3 GLU 21 2HB GLU 21 -7.031 -5.377 6.782 167 HG2 GLU 21 1HG GLU 21 -8.390 -3.296 8.568 168 HG3 GLU 21 2HG GLU 21 -9.210 -4.561 7.697 169 H LEU 22 H LEU 22 -5.922 -2.033 5.541 170 HA LEU 22 HA LEU 22 -4.432 -3.391 3.529 171 HB2 LEU 22 1HB LEU 22 -6.128 -1.229 3.695 172 HB3 LEU 22 2HB LEU 22 -4.598 -0.390 3.546 173 HG LEU 22 HG LEU 22 -4.208 -1.408 1.353 174 HD11 LEU 22 1HD1 LEU 22 -5.885 -2.740 0.202 175 HD12 LEU 22 2HD1 LEU 22 -6.888 -2.811 1.657 176 HD13 LEU 22 3HD1 LEU 22 -5.313 -3.643 1.615 177 HD21 LEU 22 3HD2 LEU 22 -5.586 0.629 1.547 178 HD22 LEU 22 1HD2 LEU 22 -7.045 -0.353 1.807 179 HD23 LEU 22 2HD2 LEU 22 -6.216 -0.370 0.227 180 H GLU 23 H GLU 23 -3.458 -1.465 6.206 181 HA GLU 23 HA GLU 23 -0.668 -1.110 5.205 182 HB2 GLU 23 1HB GLU 23 -2.192 -0.016 7.602 183 HB3 GLU 23 2HB GLU 23 -0.421 -0.015 7.540 184 HG2 GLU 23 1HG GLU 23 -0.477 1.210 5.392 185 HG3 GLU 23 2HG GLU 23 -2.232 1.192 5.384 186 H LYS 24 H LYS 24 -2.602 -2.996 7.493 187 HA LYS 24 HA LYS 24 -0.445 -4.124 8.961 188 HB2 LYS 24 1HB LYS 24 -2.972 -4.195 9.497 189 HB3 LYS 24 2HB LYS 24 -3.138 -5.401 8.225 190 HG2 LYS 24 1HG LYS 24 -1.321 -6.736 9.583 191 HG3 LYS 24 2HG LYS 24 -1.741 -5.640 10.896 192 HD2 LYS 24 1HD LYS 24 -4.222 -6.634 9.767 193 HD3 LYS 24 2HD LYS 24 -3.117 -7.989 9.872 194 HE2 LYS 24 1HE LYS 24 -4.184 -8.113 11.883 195 HE3 LYS 24 2HE LYS 24 -2.719 -7.218 12.336 196 HZ1 LYS 24 3HZ LYS 24 -4.852 -6.291 13.210 197 HZ2 LYS 24 1HZ LYS 24 -5.360 -6.029 11.692 198 HZ3 LYS 24 2HZ LYS 24 -4.052 -5.190 12.286 199 H GLU 25 H GLU 25 -2.344 -5.340 6.178 200 HA GLU 25 HA GLU 25 -0.744 -7.583 5.659 201 HB2 GLU 25 1HB GLU 25 -3.216 -6.766 4.889 202 HB3 GLU 25 2HB GLU 25 -2.334 -6.299 3.446 203 HG2 GLU 25 1HG GLU 25 -3.100 -8.477 2.997 204 HG3 GLU 25 2HG GLU 25 -1.411 -8.730 3.445 205 H PHE 26 H PHE 26 0.354 -4.514 5.297 206 HA PHE 26 HA PHE 26 2.220 -5.291 3.102 207 HB2 PHE 26 1HB PHE 26 0.777 -2.749 3.599 208 HB3 PHE 26 2HB PHE 26 2.482 -2.591 3.228 209 HD1 PHE 26 1HD PHE 26 -0.533 -4.466 1.937 210 HD2 PHE 26 2HD PHE 26 3.142 -2.414 1.008 211 HE1 PHE 26 1HE PHE 26 -1.013 -4.683 -0.481 212 HE2 PHE 26 2HE PHE 26 2.654 -2.600 -1.401 213 HZ PHE 26 HZ PHE 26 0.566 -3.733 -2.164 214 H HIS 27 H HIS 27 2.013 -5.042 6.407 215 HA HIS 27 HA HIS 27 4.879 -4.264 6.716 216 HB2 HIS 27 1HB HIS 27 3.295 -3.175 8.229 217 HB3 HIS 27 2HB HIS 27 2.666 -4.735 8.750 218 HD1 HIS 27 1HD HIS 27 6.536 -4.424 8.567 219 HD2 HIS 27 2HD HIS 27 3.298 -4.161 11.264 220 HE1 HIS 27 1HE HIS 27 7.545 -4.323 10.851 221 H CYS 28 H CYS 28 2.516 -6.969 7.467 222 HA CYS 28 HA CYS 28 4.596 -8.568 8.636 223 HB2 CYS 28 1HB CYS 28 1.844 -9.432 7.615 224 HB3 CYS 28 2HB CYS 28 2.874 -10.260 8.803 225 HG CYS 28 HG CYS 28 2.978 -8.109 10.438 226 H LYS 29 H LYS 29 3.556 -7.956 5.394 227 HA LYS 29 HA LYS 29 5.541 -9.729 4.234 228 HB2 LYS 29 1HB LYS 29 3.818 -10.771 2.718 229 HB3 LYS 29 2HB LYS 29 3.727 -11.253 4.415 230 HG2 LYS 29 1HG LYS 29 1.644 -10.558 4.712 231 HG3 LYS 29 2HG LYS 29 1.946 -9.002 3.971 232 HD2 LYS 29 1HD LYS 29 0.187 -10.214 2.821 233 HD3 LYS 29 2HD LYS 29 1.548 -9.820 1.781 234 HE2 LYS 29 1HE LYS 29 0.737 -12.024 1.243 235 HE3 LYS 29 2HE LYS 29 2.363 -12.148 1.892 236 HZ1 LYS 29 3HZ LYS 29 0.876 -13.826 2.847 237 HZ2 LYS 29 1HZ LYS 29 -0.132 -12.671 3.418 238 HZ3 LYS 29 2HZ LYS 29 1.396 -12.824 4.019 239 H LYS 30 H LYS 30 5.749 -9.248 1.884 240 HA LYS 30 HA LYS 30 4.882 -6.455 1.348 241 HB2 LYS 30 1HB LYS 30 7.461 -7.393 1.791 242 HB3 LYS 30 2HB LYS 30 7.391 -7.332 0.041 243 HG2 LYS 30 1HG LYS 30 6.563 -5.036 1.886 244 HG3 LYS 30 2HG LYS 30 8.192 -5.249 1.301 245 HD2 LYS 30 1HD LYS 30 6.581 -5.329 -1.049 246 HD3 LYS 30 2HD LYS 30 5.885 -4.061 -0.041 247 HE2 LYS 30 1HE LYS 30 7.487 -2.971 -1.373 248 HE3 LYS 30 2HE LYS 30 8.313 -3.176 0.182 249 HZ1 LYS 30 3HZ LYS 30 8.595 -4.924 -2.199 250 HZ2 LYS 30 1HZ LYS 30 9.412 -5.133 -0.771 251 HZ3 LYS 30 2HZ LYS 30 9.720 -3.837 -1.716 252 H TYR 31 H TYR 31 3.709 -9.245 0.469 253 HA TYR 31 HA TYR 31 3.334 -8.527 -2.328 254 HB2 TYR 31 1HB TYR 31 4.158 -10.821 -3.032 255 HB3 TYR 31 2HB TYR 31 5.365 -9.611 -2.588 256 HD1 TYR 31 1HD TYR 31 3.688 -12.733 -1.418 257 HD2 TYR 31 2HD TYR 31 6.911 -9.935 -0.754 258 HE1 TYR 31 1HE TYR 31 4.626 -14.227 0.279 259 HE2 TYR 31 2HE TYR 31 7.825 -11.419 1.009 260 HH TYR 31 HH TYR 31 6.114 -14.350 2.083 261 H LEU 32 H LEU 32 1.146 -8.626 -2.445 262 HA LEU 32 HA LEU 32 -0.361 -10.435 -0.694 263 HB2 LEU 32 1HB LEU 32 -1.300 -8.576 -2.916 264 HB3 LEU 32 2HB LEU 32 -2.336 -9.503 -1.842 265 HG LEU 32 HG LEU 32 -0.589 -7.116 -1.210 266 HD11 LEU 32 1HD1 LEU 32 -2.954 -6.841 -2.015 267 HD12 LEU 32 2HD1 LEU 32 -2.705 -6.208 -0.371 268 HD13 LEU 32 3HD1 LEU 32 -3.508 -7.759 -0.607 269 HD21 LEU 32 3HD2 LEU 32 -1.163 -7.289 1.175 270 HD22 LEU 32 1HD2 LEU 32 -0.161 -8.646 0.677 271 HD23 LEU 32 2HD2 LEU 32 -1.918 -8.856 0.901 272 H SER 33 H SER 33 -0.084 -12.558 -1.247 273 HA SER 33 HA SER 33 -0.158 -13.497 -3.982 274 HB2 SER 33 1HB SER 33 -0.427 -14.993 -1.354 275 HB3 SER 33 2HB SER 33 -0.167 -15.701 -2.957 276 HG SER 33 HG SER 33 1.673 -15.599 -1.821 277 H LEU 34 H LEU 34 -2.091 -12.851 -4.861 278 HA LEU 34 HA LEU 34 -4.286 -12.532 -5.261 279 HB2 LEU 34 1HB LEU 34 -3.262 -15.014 -5.848 280 HB3 LEU 34 2HB LEU 34 -4.771 -15.416 -5.052 281 HG LEU 34 HG LEU 34 -5.125 -15.346 -7.396 282 HD11 LEU 34 1HD1 LEU 34 -6.418 -12.836 -6.230 283 HD12 LEU 34 2HD1 LEU 34 -6.974 -14.502 -5.969 284 HD13 LEU 34 3HD1 LEU 34 -6.987 -13.825 -7.594 285 HD21 LEU 34 3HD2 LEU 34 -4.144 -12.459 -7.439 286 HD22 LEU 34 1HD2 LEU 34 -4.772 -13.406 -8.802 287 HD23 LEU 34 2HD2 LEU 34 -3.261 -13.880 -8.031 288 H THR 35 H THR 35 -4.819 -15.211 -2.861 289 HA THR 35 HA THR 35 -7.337 -14.299 -2.033 290 HB THR 35 HB THR 35 -6.304 -16.540 -1.587 291 HG1 THR 35 1HG THR 35 -8.147 -15.919 -0.554 292 HG21 THR 35 3HG2 THR 35 -4.097 -15.855 -0.633 293 HG22 THR 35 1HG2 THR 35 -5.003 -16.947 0.420 294 HG23 THR 35 2HG2 THR 35 -4.937 -15.219 0.796 295 H GLU 36 H GLU 36 -4.090 -13.213 -1.034 296 HA GLU 36 HA GLU 36 -4.891 -11.853 1.345 297 HB2 GLU 36 1HB GLU 36 -2.544 -11.207 -0.414 298 HB3 GLU 36 2HB GLU 36 -2.685 -10.869 1.300 299 HG2 GLU 36 1HG GLU 36 -2.601 -13.683 0.169 300 HG3 GLU 36 2HG GLU 36 -1.150 -12.750 0.502 301 H ARG 37 H ARG 37 -5.083 -11.159 -2.069 302 HA ARG 37 HA ARG 37 -5.429 -8.311 -1.731 303 HB2 ARG 37 1HB ARG 37 -4.440 -8.830 -3.788 304 HB3 ARG 37 2HB ARG 37 -5.620 -10.060 -4.191 305 HG2 ARG 37 1HG ARG 37 -6.671 -7.279 -3.760 306 HG3 ARG 37 2HG ARG 37 -5.660 -7.526 -5.155 307 HD2 ARG 37 1HD ARG 37 -8.217 -9.092 -4.514 308 HD3 ARG 37 2HD ARG 37 -8.098 -7.789 -5.682 309 HE ARG 37 HE ARG 37 -7.682 -10.489 -6.185 310 HH11 ARG 37 1HH1 ARG 37 -6.134 -7.432 -7.100 311 HH12 ARG 37 2HH1 ARG 37 -5.181 -8.167 -8.381 312 HH21 ARG 37 1HH2 ARG 37 -6.793 -11.270 -8.044 313 HH22 ARG 37 2HH2 ARG 37 -5.640 -10.423 -9.002 314 H SER 38 H SER 38 -7.511 -11.145 -2.600 315 HA SER 38 HA SER 38 -9.916 -9.658 -2.655 316 HB2 SER 38 1HB SER 38 -9.427 -12.595 -2.138 317 HB3 SER 38 2HB SER 38 -10.998 -11.865 -2.501 318 HG SER 38 HG SER 38 -10.308 -11.267 -4.494 319 H GLN 39 H GLN 39 -8.075 -10.672 0.115 320 HA GLN 39 HA GLN 39 -10.114 -11.349 1.932 321 HB2 GLN 39 1HB GLN 39 -7.205 -10.507 2.047 322 HB3 GLN 39 2HB GLN 39 -8.118 -10.589 3.550 323 HG2 GLN 39 1HG GLN 39 -8.466 -12.984 1.802 324 HG3 GLN 39 2HG GLN 39 -6.822 -12.717 2.374 325 HE21 GLN 39 1HE2 GLN 39 -6.318 -13.114 4.469 326 HE22 GLN 39 2HE2 GLN 39 -7.517 -13.080 5.738 327 H ILE 40 H ILE 40 -8.097 -8.404 2.015 328 HA ILE 40 HA ILE 40 -9.893 -6.999 3.696 329 HB ILE 40 HB ILE 40 -7.675 -6.111 1.849 330 HG12 ILE 40 1HG1 ILE 40 -6.650 -5.529 4.254 331 HG13 ILE 40 2HG1 ILE 40 -7.805 -6.731 4.813 332 HG21 ILE 40 1HG2 ILE 40 -9.368 -4.558 3.834 333 HG22 ILE 40 2HG2 ILE 40 -7.779 -3.960 3.312 334 HG23 ILE 40 3HG2 ILE 40 -9.092 -4.163 2.132 335 HD11 ILE 40 3HD1 ILE 40 -5.592 -7.137 2.736 336 HD12 ILE 40 1HD1 ILE 40 -5.535 -7.639 4.430 337 HD13 ILE 40 2HD1 ILE 40 -6.674 -8.420 3.335 338 H ALA 41 H ALA 41 -9.791 -7.410 0.198 339 HA ALA 41 HA ALA 41 -11.665 -5.395 -0.511 340 HB1 ALA 41 1HB ALA 41 -11.688 -6.396 -2.676 341 HB2 ALA 41 2HB ALA 41 -10.021 -6.489 -2.065 342 HB3 ALA 41 3HB ALA 41 -11.072 -7.929 -2.044 343 H HIS 42 H HIS 42 -12.364 -8.251 1.307 344 HA HIS 42 HA HIS 42 -15.212 -7.526 0.808 345 HB2 HIS 42 1HB HIS 42 -15.926 -9.771 1.164 346 HB3 HIS 42 2HB HIS 42 -14.763 -9.761 -0.150 347 HD1 HIS 42 1HD HIS 42 -12.546 -11.234 0.254 348 HD2 HIS 42 2HD HIS 42 -15.052 -10.758 3.609 349 HE1 HIS 42 1HE HIS 42 -11.809 -12.978 1.968 350 H ALA 43 H ALA 43 -12.656 -7.453 3.088 351 HA ALA 43 HA ALA 43 -14.194 -8.419 5.367 352 HB1 ALA 43 1HB ALA 43 -11.471 -7.023 5.185 353 HB2 ALA 43 2HB ALA 43 -12.160 -7.819 6.602 354 HB3 ALA 43 3HB ALA 43 -11.717 -8.789 5.194 355 H LEU 44 H LEU 44 -13.292 -5.406 3.687 356 HA LEU 44 HA LEU 44 -14.301 -3.978 6.038 357 HB2 LEU 44 1HB LEU 44 -12.160 -3.428 4.075 358 HB3 LEU 44 2HB LEU 44 -12.988 -2.018 4.744 359 HG LEU 44 HG LEU 44 -11.728 -4.166 6.474 360 HD11 LEU 44 1HD1 LEU 44 -10.589 -1.605 5.275 361 HD12 LEU 44 2HD1 LEU 44 -9.879 -3.212 5.348 362 HD13 LEU 44 3HD1 LEU 44 -9.974 -2.260 6.812 363 HD21 LEU 44 3HD2 LEU 44 -13.508 -2.749 7.577 364 HD22 LEU 44 1HD2 LEU 44 -12.599 -1.291 7.120 365 HD23 LEU 44 2HD2 LEU 44 -11.906 -2.494 8.224 366 H LYS 45 H LYS 45 -14.028 -2.558 2.933 367 HA LYS 45 HA LYS 45 -16.698 -2.206 1.996 368 HB2 LYS 45 1HB LYS 45 -15.300 0.139 3.394 369 HB3 LYS 45 2HB LYS 45 -16.685 0.279 2.325 370 HG2 LYS 45 1HG LYS 45 -18.001 0.138 4.100 371 HG3 LYS 45 2HG LYS 45 -17.560 -1.561 4.103 372 HD2 LYS 45 1HD LYS 45 -17.208 -0.788 6.351 373 HD3 LYS 45 2HD LYS 45 -15.598 -0.927 5.654 374 HE2 LYS 45 1HE LYS 45 -15.486 1.121 6.722 375 HE3 LYS 45 2HE LYS 45 -15.843 1.586 5.049 376 HZ1 LYS 45 3HZ LYS 45 -18.273 1.247 6.255 377 HZ2 LYS 45 1HZ LYS 45 -17.550 2.690 5.935 378 HZ3 LYS 45 2HZ LYS 45 -17.382 1.962 7.417 379 H LEU 46 H LEU 46 -14.361 -3.257 0.816 380 HA LEU 46 HA LEU 46 -13.488 -1.075 -1.029 381 HB2 LEU 46 1HB LEU 46 -11.855 -3.392 0.082 382 HB3 LEU 46 2HB LEU 46 -11.401 -2.433 -1.317 383 HG LEU 46 HG LEU 46 -11.587 -0.363 0.294 384 HD11 LEU 46 1HD1 LEU 46 -11.154 -2.659 2.243 385 HD12 LEU 46 2HD1 LEU 46 -12.561 -1.578 2.245 386 HD13 LEU 46 3HD1 LEU 46 -10.967 -0.944 2.618 387 HD21 LEU 46 3HD2 LEU 46 -9.384 -2.442 0.548 388 HD22 LEU 46 1HD2 LEU 46 -9.235 -0.702 0.914 389 HD23 LEU 46 2HD2 LEU 46 -9.514 -1.233 -0.743 390 H SER 47 H SER 47 -12.765 -2.010 -3.173 391 HA SER 47 HA SER 47 -14.174 -4.484 -3.907 392 HB2 SER 47 1HB SER 47 -15.597 -2.485 -4.521 393 HB3 SER 47 2HB SER 47 -14.261 -1.909 -5.533 394 HG SER 47 HG SER 47 -16.114 -3.773 -6.055 395 H GLU 48 H GLU 48 -12.976 -5.678 -5.346 396 HA GLU 48 HA GLU 48 -10.209 -5.451 -5.333 397 HB2 GLU 48 1HB GLU 48 -12.076 -6.934 -7.208 398 HB3 GLU 48 2HB GLU 48 -10.312 -7.101 -7.248 399 HG2 GLU 48 1HG GLU 48 -10.334 -7.814 -4.859 400 HG3 GLU 48 2HG GLU 48 -12.102 -7.740 -4.871 401 H VAL 49 H VAL 49 -12.475 -4.308 -7.850 402 HA VAL 49 HA VAL 49 -10.637 -3.491 -9.808 403 HB VAL 49 HB VAL 49 -13.065 -3.680 -10.106 404 HG11 VAL 49 1HG1 VAL 49 -14.595 -1.963 -9.363 405 HG12 VAL 49 2HG1 VAL 49 -13.729 -2.586 -7.967 406 HG13 VAL 49 3HG1 VAL 49 -13.274 -1.015 -8.643 407 HG21 VAL 49 3HG2 VAL 49 -11.991 -0.913 -10.825 408 HG22 VAL 49 1HG2 VAL 49 -11.750 -2.414 -11.753 409 HG23 VAL 49 2HG2 VAL 49 -13.370 -1.744 -11.578 410 H GLN 50 H GLN 50 -11.605 -1.776 -6.840 411 HA GLN 50 HA GLN 50 -10.076 0.579 -7.635 412 HB2 GLN 50 1HB GLN 50 -12.145 0.030 -5.755 413 HB3 GLN 50 2HB GLN 50 -10.749 0.473 -4.802 414 HG2 GLN 50 1HG GLN 50 -11.998 2.050 -7.066 415 HG3 GLN 50 2HG GLN 50 -12.066 2.452 -5.342 416 HE21 GLN 50 1HE2 GLN 50 -9.470 2.428 -4.418 417 HE22 GLN 50 2HE2 GLN 50 -8.483 3.443 -5.474 418 H VAL 51 H VAL 51 -9.672 -2.283 -5.550 419 HA VAL 51 HA VAL 51 -7.322 -1.462 -4.196 420 HB VAL 51 HB VAL 51 -8.481 -4.182 -4.857 421 HG11 VAL 51 1HG1 VAL 51 -6.113 -3.525 -3.077 422 HG12 VAL 51 2HG1 VAL 51 -7.007 -5.053 -3.017 423 HG13 VAL 51 3HG1 VAL 51 -6.135 -4.597 -4.488 424 HG21 VAL 51 3HG2 VAL 51 -9.775 -2.633 -3.303 425 HG22 VAL 51 1HG2 VAL 51 -9.254 -4.148 -2.561 426 HG23 VAL 51 2HG2 VAL 51 -8.370 -2.652 -2.229 427 H LYS 52 H LYS 52 -7.670 -3.127 -7.434 428 HA LYS 52 HA LYS 52 -4.998 -3.737 -7.667 429 HB2 LYS 52 1HB LYS 52 -5.420 -4.249 -9.883 430 HB3 LYS 52 2HB LYS 52 -6.950 -4.496 -9.068 431 HG2 LYS 52 1HG LYS 52 -7.459 -2.060 -9.757 432 HG3 LYS 52 2HG LYS 52 -6.138 -2.262 -10.921 433 HD2 LYS 52 1HD LYS 52 -7.339 -4.154 -11.978 434 HD3 LYS 52 2HD LYS 52 -8.566 -4.105 -10.708 435 HE2 LYS 52 1HE LYS 52 -9.579 -2.999 -12.535 436 HE3 LYS 52 2HE LYS 52 -9.111 -1.739 -11.394 437 HZ1 LYS 52 3HZ LYS 52 -8.095 -2.279 -14.045 438 HZ2 LYS 52 1HZ LYS 52 -6.974 -1.754 -12.967 439 HZ3 LYS 52 2HZ LYS 52 -8.317 -0.852 -13.283 440 H ILE 53 H ILE 53 -6.471 -0.600 -7.958 441 HA ILE 53 HA ILE 53 -4.227 0.610 -9.379 442 HB ILE 53 HB ILE 53 -6.694 1.761 -8.084 443 HG12 ILE 53 1HG1 ILE 53 -6.437 1.692 -11.094 444 HG13 ILE 53 2HG1 ILE 53 -6.690 0.136 -10.345 445 HG21 ILE 53 1HG2 ILE 53 -4.632 3.009 -9.945 446 HG22 ILE 53 2HG2 ILE 53 -6.243 3.710 -9.647 447 HG23 ILE 53 3HG2 ILE 53 -5.086 3.550 -8.323 448 HD11 ILE 53 3HD1 ILE 53 -8.661 1.029 -9.120 449 HD12 ILE 53 1HD1 ILE 53 -8.503 2.548 -10.022 450 HD13 ILE 53 2HD1 ILE 53 -8.849 1.017 -10.874 451 H TRP 54 H TRP 54 -5.154 -0.038 -6.042 452 HA TRP 54 HA TRP 54 -3.658 2.029 -4.740 453 HB2 TRP 54 1HB TRP 54 -5.371 0.273 -3.809 454 HB3 TRP 54 2HB TRP 54 -3.982 -0.791 -3.672 455 HD1 TRP 54 HD TRP 54 -5.252 2.590 -2.453 456 HE1 TRP 54 1HE TRP 54 -4.537 2.970 -0.026 457 HE3 TRP 54 3HE TRP 54 -2.133 -1.410 -1.953 458 HZ2 TRP 54 2HZ TRP 54 -2.846 1.619 1.946 459 HZ3 TRP 54 3HZ TRP 54 -1.023 -1.850 0.234 460 HH2 TRP 54 HH TRP 54 -1.364 -0.356 2.151 461 H PHE 55 H PHE 55 -2.872 -1.181 -6.053 462 HA PHE 55 HA PHE 55 -0.134 -1.203 -5.181 463 HB2 PHE 55 1HB PHE 55 -1.159 -2.546 -7.698 464 HB3 PHE 55 2HB PHE 55 0.212 -3.012 -6.708 465 HD1 PHE 55 1HD PHE 55 -0.647 -3.287 -4.004 466 HD2 PHE 55 2HD PHE 55 -2.915 -4.033 -7.590 467 HE1 PHE 55 1HE PHE 55 -2.151 -4.806 -2.749 468 HE2 PHE 55 2HE PHE 55 -4.506 -5.405 -6.324 469 HZ PHE 55 HZ PHE 55 -4.115 -5.819 -3.865 470 H GLN 56 H GLN 56 -1.747 0.034 -8.117 471 HA GLN 56 HA GLN 56 0.419 0.680 -9.718 472 HB2 GLN 56 1HB GLN 56 -2.250 1.009 -9.870 473 HB3 GLN 56 2HB GLN 56 -1.765 2.679 -9.690 474 HG2 GLN 56 1HG GLN 56 -1.240 2.719 -11.866 475 HG3 GLN 56 2HG GLN 56 0.038 1.523 -11.617 476 HE21 GLN 56 1HE2 GLN 56 -3.326 2.018 -12.270 477 HE22 GLN 56 2HE2 GLN 56 -3.719 0.472 -13.014 478 H ASN 57 H ASN 57 -0.959 2.409 -6.988 479 HA ASN 57 HA ASN 57 0.857 4.708 -7.114 480 HB2 ASN 57 1HB ASN 57 -1.089 3.731 -4.963 481 HB3 ASN 57 2HB ASN 57 -0.068 5.146 -4.792 482 HD21 ASN 57 1HD2 ASN 57 -2.751 3.798 -6.908 483 HD22 ASN 57 2HD2 ASN 57 -3.381 5.406 -7.199 484 H ARG 58 H ARG 58 0.551 1.838 -4.953 485 HA ARG 58 HA ARG 58 2.840 2.617 -3.412 486 HB2 ARG 58 1HB ARG 58 0.681 0.993 -3.006 487 HB3 ARG 58 2HB ARG 58 1.917 -0.232 -3.255 488 HG2 ARG 58 1HG ARG 58 3.172 0.535 -1.330 489 HG3 ARG 58 2HG ARG 58 2.323 2.091 -1.318 490 HD2 ARG 58 1HD ARG 58 0.160 0.773 -0.863 491 HD3 ARG 58 2HD ARG 58 1.176 -0.611 -0.548 492 HE ARG 58 HE ARG 58 1.604 0.218 1.543 493 HH11 ARG 58 1HH1 ARG 58 0.425 2.861 -0.447 494 HH12 ARG 58 2HH1 ARG 58 0.160 3.971 0.850 495 HH21 ARG 58 1HH2 ARG 58 1.194 1.563 3.296 496 HH22 ARG 58 2HH2 ARG 58 0.532 3.157 3.118 497 H ARG 59 H ARG 59 3.050 1.705 -6.483 498 HA ARG 59 HA ARG 59 5.585 0.155 -6.142 499 HB2 ARG 59 1HB ARG 59 3.657 0.528 -8.465 500 HB3 ARG 59 2HB ARG 59 5.303 -0.077 -8.717 501 HG2 ARG 59 1HG ARG 59 4.962 -1.959 -7.278 502 HG3 ARG 59 2HG ARG 59 3.379 -1.380 -6.745 503 HD2 ARG 59 1HD ARG 59 2.546 -1.626 -9.090 504 HD3 ARG 59 2HD ARG 59 4.124 -2.262 -9.551 505 HE ARG 59 HE ARG 59 3.068 -3.737 -7.327 506 HH11 ARG 59 1HH1 ARG 59 2.848 -3.480 -10.885 507 HH12 ARG 59 2HH1 ARG 59 2.371 -5.118 -11.089 508 HH21 ARG 59 1HH2 ARG 59 2.307 -5.829 -7.572 509 HH22 ARG 59 2HH2 ARG 59 2.066 -6.523 -9.140 510 H ALA 60 H ALA 60 4.765 3.366 -6.161 511 HA ALA 60 HA ALA 60 6.582 4.178 -8.360 512 HB1 ALA 60 1HB ALA 60 4.315 5.082 -8.328 513 HB2 ALA 60 2HB ALA 60 4.548 5.711 -6.696 514 HB3 ALA 60 3HB ALA 60 5.506 6.372 -8.029 515 H LYS 61 H LYS 61 6.766 3.860 -4.952 516 HA LYS 61 HA LYS 61 8.126 6.097 -4.113 517 HB2 LYS 61 1HB LYS 61 7.391 4.381 -2.582 518 HB3 LYS 61 2HB LYS 61 8.542 3.227 -3.265 519 HG2 LYS 61 1HG LYS 61 10.431 4.803 -2.513 520 HG3 LYS 61 2HG LYS 61 9.194 5.873 -1.827 521 HD2 LYS 61 1HD LYS 61 8.542 4.015 -0.294 522 HD3 LYS 61 2HD LYS 61 9.835 3.023 -1.053 523 HE2 LYS 61 1HE LYS 61 11.567 4.371 -0.186 524 HE3 LYS 61 2HE LYS 61 10.496 5.765 0.065 525 HZ1 LYS 61 3HZ LYS 61 9.529 4.707 1.914 526 HZ2 LYS 61 1HZ LYS 61 11.169 4.615 2.115 527 HZ3 LYS 61 2HZ LYS 61 10.335 3.288 1.647 528 H TRP 62 H TRP 62 9.772 3.197 -5.583 529 HA TRP 62 HA TRP 62 12.322 4.491 -5.300 530 HB2 TRP 62 1HB TRP 62 11.709 2.287 -7.273 531 HB3 TRP 62 2HB TRP 62 13.223 2.639 -6.447 532 HD1 TRP 62 HD TRP 62 13.241 2.037 -3.715 533 HE1 TRP 62 1HE TRP 62 12.024 0.242 -2.420 534 HE3 TRP 62 3HE TRP 62 9.505 1.073 -7.069 535 HZ2 TRP 62 2HZ TRP 62 9.506 -1.251 -2.664 536 HZ3 TRP 62 3HZ TRP 62 7.675 -0.442 -6.498 537 HH2 TRP 62 HH TRP 62 7.639 -1.617 -4.277 538 H LYS 63 H LYS 63 9.919 4.369 -7.967 539 HA LYS 63 HA LYS 63 11.523 5.528 -10.004 540 HB2 LYS 63 1HB LYS 63 8.574 5.102 -9.461 541 HB3 LYS 63 2HB LYS 63 8.972 6.423 -10.527 542 HG2 LYS 63 1HG LYS 63 8.727 4.677 -12.025 543 HG3 LYS 63 2HG LYS 63 10.478 4.775 -11.818 544 HD2 LYS 63 1HD LYS 63 10.004 2.926 -9.898 545 HD3 LYS 63 2HD LYS 63 8.499 2.724 -10.789 546 HE2 LYS 63 1HE LYS 63 9.830 1.202 -11.891 547 HE3 LYS 63 2HE LYS 63 10.071 2.617 -12.916 548 HZ1 LYS 63 3HZ LYS 63 12.149 1.525 -12.380 549 HZ2 LYS 63 1HZ LYS 63 11.934 1.762 -10.761 550 HZ3 LYS 63 2HZ LYS 63 12.165 3.011 -11.817 551 H ARG 64 H ARG 64 9.380 7.117 -7.561 552 HA ARG 64 HA ARG 64 9.825 9.697 -8.630 553 HB2 ARG 64 1HB ARG 64 8.695 10.554 -6.763 554 HB3 ARG 64 2HB ARG 64 7.932 9.011 -7.178 555 HG2 ARG 64 1HG ARG 64 8.240 8.318 -5.079 556 HG3 ARG 64 2HG ARG 64 9.953 8.305 -5.483 557 HD2 ARG 64 1HD ARG 64 9.666 9.500 -3.394 558 HD3 ARG 64 2HD ARG 64 10.234 10.596 -4.655 559 HE ARG 64 HE ARG 64 8.350 11.772 -4.577 560 HH11 ARG 64 1HH1 ARG 64 7.836 8.874 -2.642 561 HH12 ARG 64 2HH1 ARG 64 6.232 9.327 -2.089 562 HH21 ARG 64 1HH2 ARG 64 6.288 12.406 -3.838 563 HH22 ARG 64 2HH2 ARG 64 5.371 11.430 -2.727 564 H ILE 65 H ILE 65 11.978 7.828 -6.627 565 HA ILE 65 HA ILE 65 13.543 10.234 -5.865 566 HB ILE 65 HB ILE 65 13.893 7.283 -5.173 567 HG12 ILE 65 1HG1 ILE 65 12.862 9.679 -3.588 568 HG13 ILE 65 2HG1 ILE 65 11.892 8.332 -4.158 569 HG21 ILE 65 1HG2 ILE 65 16.069 8.559 -5.217 570 HG22 ILE 65 2HG2 ILE 65 15.381 9.720 -4.072 571 HG23 ILE 65 3HG2 ILE 65 15.634 8.026 -3.604 572 HD11 ILE 65 3HD1 ILE 65 13.156 6.784 -2.697 573 HD12 ILE 65 1HD1 ILE 65 14.011 8.195 -2.004 574 HD13 ILE 65 2HD1 ILE 65 12.261 8.042 -1.823 575 H LYS 66 H LYS 66 13.898 7.128 -7.616 576 HA LYS 66 HA LYS 66 16.256 7.951 -9.087 577 HB2 LYS 66 1HB LYS 66 15.351 5.588 -8.190 578 HB3 LYS 66 2HB LYS 66 14.523 5.535 -9.728 579 HG2 LYS 66 1HG LYS 66 17.529 5.904 -9.316 580 HG3 LYS 66 2HG LYS 66 16.725 4.357 -9.594 581 HD2 LYS 66 1HD LYS 66 15.939 5.164 -11.819 582 HD3 LYS 66 2HD LYS 66 16.844 6.672 -11.556 583 HE2 LYS 66 1HE LYS 66 18.933 5.325 -11.187 584 HE3 LYS 66 2HE LYS 66 18.031 3.850 -11.595 585 HZ1 LYS 66 3HZ LYS 66 17.710 4.724 -13.815 586 HZ2 LYS 66 1HZ LYS 66 19.303 4.738 -13.434 587 HZ3 LYS 66 2HZ LYS 66 18.482 6.147 -13.399 588 H ALA 67 H ALA 67 14.412 9.915 -9.449 589 HA ALA 67 HA ALA 67 12.775 9.445 -11.873 590 HB1 ALA 67 1HB ALA 67 11.953 11.788 -11.278 591 HB2 ALA 67 2HB ALA 67 11.543 10.521 -10.112 592 HB3 ALA 67 3HB ALA 67 12.868 11.644 -9.774 593 H GLY 68 H GLY 68 13.789 9.856 -13.765 594 HA2 GLY 68 1HA GLY 68 15.333 12.254 -14.175 595 HA3 GLY 68 2HA GLY 68 16.361 10.834 -14.127 596 H ASN 69 H ASN 69 13.283 11.915 -15.619 597 HA ASN 69 HA ASN 69 13.768 10.373 -18.089 598 HB2 ASN 69 1HB ASN 69 11.738 11.420 -18.931 599 HB3 ASN 69 2HB ASN 69 11.427 10.703 -17.360 600 HD21 ASN 69 1HD2 ASN 69 10.593 13.472 -19.135 601 HD22 ASN 69 2HD2 ASN 69 10.468 14.540 -17.760 602 H VAL 70 H VAL 70 13.434 11.923 -20.105 603 HA VAL 70 HA VAL 70 13.878 14.636 -19.757 604 HB VAL 70 HB VAL 70 16.241 14.046 -20.003 605 HG11 VAL 70 1HG1 VAL 70 15.507 12.818 -22.685 606 HG12 VAL 70 2HG1 VAL 70 17.152 13.100 -22.079 607 HG13 VAL 70 3HG1 VAL 70 16.096 11.962 -21.242 608 HG21 VAL 70 3HG2 VAL 70 16.875 15.571 -21.720 609 HG22 VAL 70 1HG2 VAL 70 15.337 15.400 -22.576 610 HG23 VAL 70 2HG2 VAL 70 15.392 16.182 -20.981 611 H SER 71 H SER 71 13.333 15.581 -22.251 612 HA SER 71 HA SER 71 11.667 13.818 -23.759 613 HB2 SER 71 1HB SER 71 10.311 14.472 -21.648 614 HB3 SER 71 2HB SER 71 10.382 16.133 -22.243 615 HG SER 71 HG SER 71 9.391 15.372 -24.156 Start of MODEL 6 1 H1 SER 1 H SER 1 -25.332 -10.013 -13.660 2 HA SER 1 HA SER 1 -26.156 -7.902 -14.427 3 HB2 SER 1 1HB SER 1 -26.553 -7.431 -11.453 4 HB3 SER 1 2HB SER 1 -26.510 -6.113 -12.633 5 HG SER 1 HG SER 1 -28.522 -7.797 -12.072 6 H ALA 2 H ALA 2 -24.014 -8.011 -15.300 7 HA ALA 2 HA ALA 2 -22.047 -6.403 -13.737 8 HB1 ALA 2 1HB ALA 2 -21.253 -8.705 -13.836 9 HB2 ALA 2 2HB ALA 2 -21.482 -8.740 -15.601 10 HB3 ALA 2 3HB ALA 2 -20.279 -7.653 -14.878 11 HA PRO 3 HA PRO 3 -22.995 -4.107 -17.650 12 HB2 PRO 3 1HB PRO 3 -22.732 -1.602 -16.488 13 HB3 PRO 3 2HB PRO 3 -24.272 -2.482 -16.675 14 HG2 PRO 3 1HG PRO 3 -22.515 -2.292 -14.237 15 HG3 PRO 3 2HG PRO 3 -24.295 -2.207 -14.336 16 HD2 PRO 3 1HD PRO 3 -22.969 -4.479 -13.590 17 HD3 PRO 3 2HD PRO 3 -24.480 -4.550 -14.531 18 H GLY 4 H GLY 4 -21.429 -2.653 -18.692 19 HA2 GLY 4 1HA GLY 4 -18.697 -3.602 -18.069 20 HA3 GLY 4 2HA GLY 4 -19.315 -3.031 -19.621 21 H GLY 5 H GLY 5 -17.334 -1.776 -19.578 22 HA2 GLY 5 1HA GLY 5 -16.312 0.313 -19.528 23 HA3 GLY 5 2HA GLY 5 -17.776 0.969 -18.772 24 H LYS 6 H LYS 6 -14.875 -1.035 -18.086 25 HA LYS 6 HA LYS 6 -14.623 0.367 -15.496 26 HB2 LYS 6 1HB LYS 6 -14.212 -2.639 -15.851 27 HB3 LYS 6 2HB LYS 6 -13.784 -1.684 -14.424 28 HG2 LYS 6 1HG LYS 6 -16.229 -0.990 -14.245 29 HG3 LYS 6 2HG LYS 6 -16.581 -2.179 -15.516 30 HD2 LYS 6 1HD LYS 6 -15.603 -3.974 -14.048 31 HD3 LYS 6 2HD LYS 6 -15.384 -2.745 -12.781 32 HE2 LYS 6 1HE LYS 6 -17.872 -2.253 -12.925 33 HE3 LYS 6 2HE LYS 6 -18.012 -3.593 -14.067 34 HZ1 LYS 6 3HZ LYS 6 -17.170 -5.053 -12.273 35 HZ2 LYS 6 1HZ LYS 6 -18.607 -4.342 -11.936 36 HZ3 LYS 6 2HZ LYS 6 -17.264 -3.783 -11.211 37 H SER 7 H SER 7 -12.619 1.268 -15.359 38 HA SER 7 HA SER 7 -10.440 0.248 -17.101 39 HB2 SER 7 1HB SER 7 -11.102 3.184 -17.014 40 HB3 SER 7 2HB SER 7 -10.049 2.319 -18.137 41 HG SER 7 HG SER 7 -12.011 3.092 -18.944 42 H ARG 8 H ARG 8 -8.478 0.528 -16.168 43 HA ARG 8 HA ARG 8 -8.217 1.264 -13.383 44 HB2 ARG 8 1HB ARG 8 -6.905 -0.499 -14.189 45 HB3 ARG 8 2HB ARG 8 -6.380 0.356 -15.617 46 HG2 ARG 8 1HG ARG 8 -5.480 1.481 -12.970 47 HG3 ARG 8 2HG ARG 8 -4.855 -0.085 -13.439 48 HD2 ARG 8 1HD ARG 8 -4.547 1.440 -15.799 49 HD3 ARG 8 2HD ARG 8 -4.218 2.578 -14.510 50 HE ARG 8 HE ARG 8 -2.170 1.583 -14.241 51 HH11 ARG 8 1HH1 ARG 8 -4.244 -0.699 -15.996 52 HH12 ARG 8 2HH1 ARG 8 -3.111 -1.997 -15.953 53 HH21 ARG 8 1HH2 ARG 8 -0.653 -0.218 -14.092 54 HH22 ARG 8 2HH2 ARG 8 -1.189 -1.764 -14.679 55 H ARG 9 H ARG 9 -7.816 3.256 -12.533 56 HA ARG 9 HA ARG 9 -6.342 5.348 -13.908 57 HB2 ARG 9 1HB ARG 9 -9.333 5.257 -13.731 58 HB3 ARG 9 2HB ARG 9 -8.652 6.703 -13.021 59 HG2 ARG 9 1HG ARG 9 -7.542 5.941 -15.701 60 HG3 ARG 9 2HG ARG 9 -9.233 6.437 -15.669 61 HD2 ARG 9 1HD ARG 9 -8.769 8.586 -14.987 62 HD3 ARG 9 2HD ARG 9 -7.268 8.143 -14.173 63 HE ARG 9 HE ARG 9 -6.101 8.632 -16.019 64 HH11 ARG 9 1HH1 ARG 9 -9.488 8.176 -17.186 65 HH12 ARG 9 2HH1 ARG 9 -9.099 8.806 -18.729 66 HH21 ARG 9 1HH2 ARG 9 -5.638 9.182 -18.075 67 HH22 ARG 9 2HH2 ARG 9 -6.810 9.180 -19.360 68 H ARG 10 H ARG 10 -5.545 6.860 -12.289 69 HA ARG 10 HA ARG 10 -5.596 5.965 -9.508 70 HB2 ARG 10 1HB ARG 10 -4.536 8.459 -10.890 71 HB3 ARG 10 2HB ARG 10 -4.469 8.199 -9.168 72 HG2 ARG 10 1HG ARG 10 -3.085 6.128 -9.592 73 HG3 ARG 10 2HG ARG 10 -3.005 6.631 -11.303 74 HD2 ARG 10 1HD ARG 10 -2.081 8.836 -10.588 75 HD3 ARG 10 2HD ARG 10 -2.197 8.325 -8.896 76 HE ARG 10 HE ARG 10 -0.553 6.773 -10.806 77 HH11 ARG 10 1HH1 ARG 10 -0.533 9.191 -8.185 78 HH12 ARG 10 2HH1 ARG 10 1.156 9.033 -7.897 79 HH21 ARG 10 1HH2 ARG 10 1.654 6.422 -10.233 80 HH22 ARG 10 2HH2 ARG 10 2.349 7.266 -8.894 81 H ARG 11 H ARG 11 -7.895 5.959 -9.059 82 HA ARG 11 HA ARG 11 -8.827 8.679 -8.326 83 HB2 ARG 11 1HB ARG 11 -10.473 6.563 -9.751 84 HB3 ARG 11 2HB ARG 11 -11.159 7.988 -8.965 85 HG2 ARG 11 1HG ARG 11 -9.997 9.500 -10.484 86 HG3 ARG 11 2HG ARG 11 -9.168 8.141 -11.276 87 HD2 ARG 11 1HD ARG 11 -11.317 7.213 -11.985 88 HD3 ARG 11 2HD ARG 11 -12.170 8.479 -11.117 89 HE ARG 11 HE ARG 11 -10.353 9.237 -13.366 90 HH11 ARG 11 1HH1 ARG 11 -13.505 9.592 -11.913 91 HH12 ARG 11 2HH1 ARG 11 -14.338 10.013 -13.365 92 HH21 ARG 11 1HH2 ARG 11 -11.511 9.562 -15.448 93 HH22 ARG 11 2HH2 ARG 11 -13.198 9.869 -15.378 94 H THR 12 H THR 12 -7.403 6.826 -6.650 95 HA THR 12 HA THR 12 -9.159 5.174 -5.185 96 HB THR 12 HB THR 12 -6.548 6.459 -4.278 97 HG1 THR 12 1HG THR 12 -5.572 4.755 -5.030 98 HG21 THR 12 3HG2 THR 12 -6.370 4.513 -2.753 99 HG22 THR 12 1HG2 THR 12 -8.033 4.058 -3.196 100 HG23 THR 12 2HG2 THR 12 -7.715 5.564 -2.335 101 H ALA 13 H ALA 13 -10.539 5.446 -3.647 102 HA ALA 13 HA ALA 13 -10.497 7.825 -1.900 103 HB1 ALA 13 1HB ALA 13 -12.944 6.612 -3.280 104 HB2 ALA 13 2HB ALA 13 -12.979 7.825 -1.984 105 HB3 ALA 13 3HB ALA 13 -12.257 8.222 -3.554 106 H PHE 14 H PHE 14 -9.490 6.534 -0.295 107 HA PHE 14 HA PHE 14 -11.355 4.639 0.976 108 HB2 PHE 14 1HB PHE 14 -8.343 4.279 1.031 109 HB3 PHE 14 2HB PHE 14 -9.541 3.260 1.816 110 HD1 PHE 14 2HD PHE 14 -11.527 2.608 -0.247 111 HD2 PHE 14 1HD PHE 14 -7.254 3.036 -0.565 112 HE1 PHE 14 2HE PHE 14 -11.511 1.012 -2.132 113 HE2 PHE 14 1HE PHE 14 -7.254 1.506 -2.516 114 HZ PHE 14 HZ PHE 14 -9.333 0.377 -3.213 115 H THR 15 H THR 15 -10.001 4.438 3.406 116 HA THR 15 HA THR 15 -9.662 7.167 4.367 117 HB THR 15 HB THR 15 -11.834 7.346 4.845 118 HG1 THR 15 1HG THR 15 -12.383 6.584 6.866 119 HG21 THR 15 3HG2 THR 15 -12.671 5.476 3.559 120 HG22 THR 15 1HG2 THR 15 -13.455 5.470 5.136 121 HG23 THR 15 2HG2 THR 15 -12.126 4.336 4.820 122 H SER 16 H SER 16 -8.701 7.296 6.368 123 HA SER 16 HA SER 16 -6.938 5.414 7.352 124 HB2 SER 16 1HB SER 16 -8.336 7.565 8.954 125 HB3 SER 16 2HB SER 16 -6.647 7.043 9.034 126 HG SER 16 HG SER 16 -6.255 8.043 7.073 127 H GLU 17 H GLU 17 -10.484 5.134 7.619 128 HA GLU 17 HA GLU 17 -10.168 3.466 9.974 129 HB2 GLU 17 1HB GLU 17 -12.458 3.366 9.871 130 HB3 GLU 17 2HB GLU 17 -12.068 5.070 9.694 131 HG2 GLU 17 1HG GLU 17 -12.308 4.078 7.107 132 HG3 GLU 17 2HG GLU 17 -13.453 3.084 7.975 133 H GLN 18 H GLN 18 -10.368 3.177 6.652 134 HA GLN 18 HA GLN 18 -10.773 0.214 6.726 135 HB2 GLN 18 1HB GLN 18 -10.922 2.309 4.508 136 HB3 GLN 18 2HB GLN 18 -10.930 0.579 4.164 137 HG2 GLN 18 1HG GLN 18 -12.958 0.194 5.332 138 HG3 GLN 18 2HG GLN 18 -12.898 1.725 6.160 139 HE21 GLN 18 1HE2 GLN 18 -12.740 0.912 2.546 140 HE22 GLN 18 2HE2 GLN 18 -14.092 1.989 2.234 141 H LEU 19 H LEU 19 -8.282 2.611 6.179 142 HA LEU 19 HA LEU 19 -6.505 0.962 4.671 143 HB2 LEU 19 1HB LEU 19 -6.132 3.451 6.354 144 HB3 LEU 19 2HB LEU 19 -4.771 2.660 5.579 145 HG LEU 19 HG LEU 19 -7.203 3.600 4.000 146 HD11 LEU 19 1HD1 LEU 19 -5.842 5.555 3.355 147 HD12 LEU 19 2HD1 LEU 19 -4.556 5.024 4.461 148 HD13 LEU 19 3HD1 LEU 19 -6.123 5.530 5.099 149 HD21 LEU 19 3HD2 LEU 19 -5.919 1.918 2.822 150 HD22 LEU 19 1HD2 LEU 19 -4.404 2.796 3.134 151 HD23 LEU 19 2HD2 LEU 19 -5.659 3.496 2.079 152 H LEU 20 H LEU 20 -7.310 0.688 8.163 153 HA LEU 20 HA LEU 20 -4.775 0.149 9.157 154 HB2 LEU 20 1HB LEU 20 -7.615 -0.724 9.823 155 HB3 LEU 20 2HB LEU 20 -6.277 -1.453 10.652 156 HG LEU 20 HG LEU 20 -7.219 0.279 11.960 157 HD11 LEU 20 1HD1 LEU 20 -5.254 1.517 12.614 158 HD12 LEU 20 2HD1 LEU 20 -4.472 1.207 11.053 159 HD13 LEU 20 3HD1 LEU 20 -4.792 -0.136 12.176 160 HD21 LEU 20 3HD2 LEU 20 -7.184 2.630 11.387 161 HD22 LEU 20 1HD2 LEU 20 -8.090 1.726 10.166 162 HD23 LEU 20 2HD2 LEU 20 -6.430 2.281 9.822 163 H GLU 21 H GLU 21 -7.153 -2.035 7.732 164 HA GLU 21 HA GLU 21 -5.694 -4.452 8.231 165 HB2 GLU 21 1HB GLU 21 -7.982 -3.820 6.325 166 HB3 GLU 21 2HB GLU 21 -7.521 -5.433 6.851 167 HG2 GLU 21 1HG GLU 21 -8.438 -3.234 8.795 168 HG3 GLU 21 2HG GLU 21 -9.523 -4.306 8.016 169 H LEU 22 H LEU 22 -5.754 -2.127 5.641 170 HA LEU 22 HA LEU 22 -4.490 -3.718 3.565 171 HB2 LEU 22 1HB LEU 22 -5.432 -0.941 3.961 172 HB3 LEU 22 2HB LEU 22 -3.882 -0.956 3.138 173 HG LEU 22 HG LEU 22 -6.185 -2.678 2.202 174 HD11 LEU 22 1HD1 LEU 22 -6.766 -0.906 0.598 175 HD12 LEU 22 2HD1 LEU 22 -5.547 0.155 1.328 176 HD13 LEU 22 3HD1 LEU 22 -6.972 -0.364 2.273 177 HD21 LEU 22 3HD2 LEU 22 -4.941 -2.416 -0.015 178 HD22 LEU 22 1HD2 LEU 22 -4.146 -3.377 1.238 179 HD23 LEU 22 2HD2 LEU 22 -3.626 -1.713 0.927 180 H GLU 23 H GLU 23 -3.415 -1.147 5.768 181 HA GLU 23 HA GLU 23 -0.617 -1.376 5.192 182 HB2 GLU 23 1HB GLU 23 -2.250 -0.083 7.412 183 HB3 GLU 23 2HB GLU 23 -0.487 -0.041 7.366 184 HG2 GLU 23 1HG GLU 23 -0.655 0.918 5.001 185 HG3 GLU 23 2HG GLU 23 -2.407 1.020 5.208 186 H LYS 24 H LYS 24 -2.753 -3.052 7.444 187 HA LYS 24 HA LYS 24 -0.716 -4.001 9.160 188 HB2 LYS 24 1HB LYS 24 -3.131 -4.181 9.746 189 HB3 LYS 24 2HB LYS 24 -3.411 -5.256 8.369 190 HG2 LYS 24 1HG LYS 24 -1.943 -6.942 9.357 191 HG3 LYS 24 2HG LYS 24 -1.573 -5.844 10.709 192 HD2 LYS 24 1HD LYS 24 -3.969 -5.903 11.344 193 HD3 LYS 24 2HD LYS 24 -4.285 -7.085 10.061 194 HE2 LYS 24 1HE LYS 24 -2.826 -8.726 11.064 195 HE3 LYS 24 2HE LYS 24 -2.112 -7.521 12.147 196 HZ1 LYS 24 3HZ LYS 24 -3.658 -8.842 13.372 197 HZ2 LYS 24 1HZ LYS 24 -4.877 -8.536 12.331 198 HZ3 LYS 24 2HZ LYS 24 -4.264 -7.330 13.247 199 H GLU 25 H GLU 25 -2.303 -5.643 6.397 200 HA GLU 25 HA GLU 25 -0.463 -7.827 6.385 201 HB2 GLU 25 1HB GLU 25 -2.283 -6.620 4.251 202 HB3 GLU 25 2HB GLU 25 -1.364 -8.126 4.000 203 HG2 GLU 25 1HG GLU 25 -3.514 -7.579 6.083 204 HG3 GLU 25 2HG GLU 25 -3.632 -8.680 4.698 205 H PHE 26 H PHE 26 -0.400 -4.681 4.662 206 HA PHE 26 HA PHE 26 1.980 -5.293 3.221 207 HB2 PHE 26 1HB PHE 26 0.382 -2.863 3.731 208 HB3 PHE 26 2HB PHE 26 2.092 -2.562 3.521 209 HD1 PHE 26 2HD PHE 26 -0.725 -4.484 1.922 210 HD2 PHE 26 1HD PHE 26 3.021 -2.429 1.373 211 HE1 PHE 26 2HE PHE 26 -0.857 -4.882 -0.513 212 HE2 PHE 26 1HE PHE 26 2.905 -2.852 -1.053 213 HZ PHE 26 HZ PHE 26 0.993 -4.114 -2.018 214 H HIS 27 H HIS 27 1.650 -4.750 6.636 215 HA HIS 27 HA HIS 27 4.386 -3.803 7.023 216 HB2 HIS 27 1HB HIS 27 2.295 -3.574 8.586 217 HB3 HIS 27 2HB HIS 27 2.678 -5.205 9.103 218 HD1 HIS 27 1HD HIS 27 5.018 -2.112 8.575 219 HD2 HIS 27 2HD HIS 27 3.734 -4.907 11.475 220 HE1 HIS 27 1HE HIS 27 6.211 -1.523 10.745 221 H CYS 28 H CYS 28 2.816 -6.913 6.498 222 HA CYS 28 HA CYS 28 5.068 -8.393 7.744 223 HB2 CYS 28 1HB CYS 28 2.230 -9.332 7.155 224 HB3 CYS 28 2HB CYS 28 3.466 -10.138 8.148 225 HG CYS 28 HG CYS 28 1.768 -7.343 8.598 226 H LYS 29 H LYS 29 3.372 -7.770 4.716 227 HA LYS 29 HA LYS 29 5.497 -9.287 3.383 228 HB2 LYS 29 1HB LYS 29 3.676 -10.098 1.729 229 HB3 LYS 29 2HB LYS 29 4.013 -11.004 3.196 230 HG2 LYS 29 1HG LYS 29 1.995 -10.470 4.234 231 HG3 LYS 29 2HG LYS 29 1.736 -9.032 3.225 232 HD2 LYS 29 1HD LYS 29 0.226 -10.975 2.660 233 HD3 LYS 29 2HD LYS 29 1.156 -10.249 1.357 234 HE2 LYS 29 1HE LYS 29 1.386 -12.413 0.817 235 HE3 LYS 29 2HE LYS 29 2.883 -12.074 1.644 236 HZ1 LYS 29 3HZ LYS 29 2.269 -14.005 2.656 237 HZ2 LYS 29 1HZ LYS 29 0.682 -13.768 2.380 238 HZ3 LYS 29 2HZ LYS 29 1.432 -13.011 3.676 239 H LYS 30 H LYS 30 6.242 -8.200 1.752 240 HA LYS 30 HA LYS 30 5.116 -5.658 1.014 241 HB2 LYS 30 1HB LYS 30 7.631 -6.971 0.912 242 HB3 LYS 30 2HB LYS 30 7.248 -6.675 -0.768 243 HG2 LYS 30 1HG LYS 30 6.993 -4.516 1.360 244 HG3 LYS 30 2HG LYS 30 8.530 -4.882 0.603 245 HD2 LYS 30 1HD LYS 30 8.080 -3.703 -1.188 246 HD3 LYS 30 2HD LYS 30 6.626 -4.605 -1.530 247 HE2 LYS 30 1HE LYS 30 6.219 -2.183 -1.351 248 HE3 LYS 30 2HE LYS 30 5.264 -3.122 -0.189 249 HZ1 LYS 30 3HZ LYS 30 6.528 -1.004 0.524 250 HZ2 LYS 30 1HZ LYS 30 7.826 -1.978 0.696 251 HZ3 LYS 30 2HZ LYS 30 6.442 -2.289 1.540 252 H TYR 31 H TYR 31 4.299 -8.786 -0.040 253 HA TYR 31 HA TYR 31 2.970 -7.789 -2.448 254 HB2 TYR 31 1HB TYR 31 3.958 -9.830 -3.658 255 HB3 TYR 31 2HB TYR 31 4.967 -8.437 -3.411 256 HD1 TYR 31 2HD TYR 31 4.425 -11.946 -2.281 257 HD2 TYR 31 1HD TYR 31 6.961 -8.455 -2.098 258 HE1 TYR 31 2HE TYR 31 6.219 -13.299 -1.252 259 HE2 TYR 31 1HE TYR 31 8.700 -9.766 -0.924 260 HH TYR 31 HH TYR 31 8.458 -13.283 -0.596 261 H LEU 32 H LEU 32 0.966 -8.453 -2.299 262 HA LEU 32 HA LEU 32 0.036 -10.529 -0.454 263 HB2 LEU 32 1HB LEU 32 -1.499 -8.797 -2.437 264 HB3 LEU 32 2HB LEU 32 -2.185 -9.801 -1.172 265 HG LEU 32 HG LEU 32 -0.560 -7.274 -0.829 266 HD11 LEU 32 1HD1 LEU 32 -2.983 -7.160 -1.586 267 HD12 LEU 32 2HD1 LEU 32 -2.614 -6.303 -0.079 268 HD13 LEU 32 3HD1 LEU 32 -3.417 -7.880 -0.013 269 HD21 LEU 32 3HD2 LEU 32 -1.258 -7.430 1.613 270 HD22 LEU 32 1HD2 LEU 32 0.013 -8.522 1.106 271 HD23 LEU 32 2HD2 LEU 32 -1.643 -9.132 1.318 272 H SER 33 H SER 33 -0.242 -12.632 -1.103 273 HA SER 33 HA SER 33 0.307 -13.203 -3.963 274 HB2 SER 33 1HB SER 33 0.546 -14.823 -1.432 275 HB3 SER 33 2HB SER 33 0.628 -15.560 -3.043 276 HG SER 33 HG SER 33 2.635 -14.510 -1.868 277 H LEU 34 H LEU 34 -1.894 -12.174 -4.063 278 HA LEU 34 HA LEU 34 -3.840 -12.336 -5.180 279 HB2 LEU 34 1HB LEU 34 -2.732 -14.196 -6.348 280 HB3 LEU 34 2HB LEU 34 -3.467 -15.353 -5.245 281 HG LEU 34 HG LEU 34 -5.368 -13.412 -6.462 282 HD11 LEU 34 1HD1 LEU 34 -3.961 -15.426 -8.194 283 HD12 LEU 34 2HD1 LEU 34 -3.913 -13.634 -8.312 284 HD13 LEU 34 3HD1 LEU 34 -5.426 -14.522 -8.644 285 HD21 LEU 34 3HD2 LEU 34 -5.389 -16.449 -6.271 286 HD22 LEU 34 1HD2 LEU 34 -6.761 -15.425 -6.729 287 HD23 LEU 34 2HD2 LEU 34 -6.106 -15.356 -5.078 288 H THR 35 H THR 35 -3.717 -15.006 -2.807 289 HA THR 35 HA THR 35 -6.432 -14.914 -1.990 290 HB THR 35 HB THR 35 -3.818 -15.871 -0.753 291 HG1 THR 35 1HG THR 35 -5.802 -17.027 -2.421 292 HG21 THR 35 3HG2 THR 35 -6.617 -16.717 0.024 293 HG22 THR 35 1HG2 THR 35 -5.452 -15.800 1.019 294 HG23 THR 35 2HG2 THR 35 -5.088 -17.463 0.556 295 H GLU 36 H GLU 36 -3.521 -13.221 -0.781 296 HA GLU 36 HA GLU 36 -4.818 -12.226 1.594 297 HB2 GLU 36 1HB GLU 36 -2.177 -11.556 0.201 298 HB3 GLU 36 2HB GLU 36 -2.576 -11.069 1.814 299 HG2 GLU 36 1HG GLU 36 -1.551 -12.934 2.494 300 HG3 GLU 36 2HG GLU 36 -3.021 -13.800 2.016 301 H ARG 37 H ARG 37 -4.345 -11.151 -1.662 302 HA ARG 37 HA ARG 37 -5.179 -8.395 -1.272 303 HB2 ARG 37 1HB ARG 37 -4.001 -8.674 -3.227 304 HB3 ARG 37 2HB ARG 37 -4.699 -10.231 -3.598 305 HG2 ARG 37 1HG ARG 37 -6.272 -7.652 -3.825 306 HG3 ARG 37 2HG ARG 37 -5.278 -8.336 -5.117 307 HD2 ARG 37 1HD ARG 37 -6.679 -10.544 -4.622 308 HD3 ARG 37 2HD ARG 37 -7.882 -9.415 -3.974 309 HE ARG 37 HE ARG 37 -8.292 -8.593 -6.048 310 HH11 ARG 37 1HH1 ARG 37 -6.659 -11.438 -6.566 311 HH12 ARG 37 2HH1 ARG 37 -6.015 -11.091 -8.134 312 HH21 ARG 37 1HH2 ARG 37 -6.968 -7.623 -7.777 313 HH22 ARG 37 2HH2 ARG 37 -5.901 -8.631 -8.716 314 H SER 38 H SER 38 -6.749 -11.515 -1.699 315 HA SER 38 HA SER 38 -9.414 -10.325 -1.894 316 HB2 SER 38 1HB SER 38 -8.452 -12.419 -3.133 317 HB3 SER 38 2HB SER 38 -8.772 -13.276 -1.622 318 HG SER 38 HG SER 38 -10.934 -12.633 -1.810 319 H GLN 39 H GLN 39 -7.591 -10.072 0.643 320 HA GLN 39 HA GLN 39 -9.620 -11.024 2.591 321 HB2 GLN 39 1HB GLN 39 -6.871 -9.815 2.893 322 HB3 GLN 39 2HB GLN 39 -8.040 -9.847 4.218 323 HG2 GLN 39 1HG GLN 39 -7.258 -12.353 2.670 324 HG3 GLN 39 2HG GLN 39 -6.399 -11.756 4.055 325 HE21 GLN 39 1HE2 GLN 39 -8.942 -13.848 3.206 326 HE22 GLN 39 2HE2 GLN 39 -9.537 -14.022 4.860 327 H ILE 40 H ILE 40 -7.864 -7.922 2.335 328 HA ILE 40 HA ILE 40 -9.825 -6.502 3.545 329 HB ILE 40 HB ILE 40 -7.869 -5.444 1.489 330 HG12 ILE 40 1HG1 ILE 40 -6.605 -4.676 3.568 331 HG13 ILE 40 2HG1 ILE 40 -7.613 -5.761 4.516 332 HG21 ILE 40 1HG2 ILE 40 -9.761 -3.858 2.165 333 HG22 ILE 40 2HG2 ILE 40 -9.162 -4.020 3.830 334 HG23 ILE 40 3HG2 ILE 40 -8.165 -3.280 2.586 335 HD11 ILE 40 3HD1 ILE 40 -5.851 -6.717 2.223 336 HD12 ILE 40 1HD1 ILE 40 -5.247 -6.505 3.863 337 HD13 ILE 40 2HD1 ILE 40 -6.533 -7.677 3.568 338 H ALA 41 H ALA 41 -9.524 -6.915 0.006 339 HA ALA 41 HA ALA 41 -11.668 -5.217 -0.760 340 HB1 ALA 41 1HB ALA 41 -9.931 -6.021 -2.308 341 HB2 ALA 41 2HB ALA 41 -10.565 -7.684 -2.186 342 HB3 ALA 41 3HB ALA 41 -11.542 -6.403 -2.930 343 H HIS 42 H HIS 42 -11.882 -8.354 0.845 344 HA HIS 42 HA HIS 42 -14.778 -8.334 0.230 345 HB2 HIS 42 1HB HIS 42 -13.133 -10.201 -0.796 346 HB3 HIS 42 2HB HIS 42 -13.343 -10.914 0.795 347 HD1 HIS 42 1HD HIS 42 -14.539 -12.107 -2.055 348 HD2 HIS 42 2HD HIS 42 -16.591 -9.871 0.898 349 HE1 HIS 42 1HE HIS 42 -16.992 -12.621 -2.341 350 H ALA 43 H ALA 43 -12.914 -7.228 2.483 351 HA ALA 43 HA ALA 43 -14.143 -8.690 4.770 352 HB1 ALA 43 1HB ALA 43 -12.181 -8.096 6.061 353 HB2 ALA 43 2HB ALA 43 -11.665 -8.942 4.598 354 HB3 ALA 43 3HB ALA 43 -11.509 -7.171 4.711 355 H LEU 44 H LEU 44 -13.278 -5.426 3.464 356 HA LEU 44 HA LEU 44 -14.762 -4.307 5.842 357 HB2 LEU 44 1HB LEU 44 -12.566 -3.225 4.097 358 HB3 LEU 44 2HB LEU 44 -13.507 -2.172 5.147 359 HG LEU 44 HG LEU 44 -11.815 -4.465 6.188 360 HD11 LEU 44 1HD1 LEU 44 -10.386 -2.880 5.036 361 HD12 LEU 44 2HD1 LEU 44 -10.238 -2.551 6.755 362 HD13 LEU 44 3HD1 LEU 44 -11.246 -1.527 5.718 363 HD21 LEU 44 3HD2 LEU 44 -12.014 -3.259 8.324 364 HD22 LEU 44 1HD2 LEU 44 -13.623 -3.691 7.727 365 HD23 LEU 44 2HD2 LEU 44 -13.038 -2.019 7.567 366 H LYS 45 H LYS 45 -14.042 -2.440 3.032 367 HA LYS 45 HA LYS 45 -16.724 -2.247 1.895 368 HB2 LYS 45 1HB LYS 45 -15.461 0.095 3.379 369 HB3 LYS 45 2HB LYS 45 -16.970 0.077 2.494 370 HG2 LYS 45 1HG LYS 45 -17.815 0.020 4.523 371 HG3 LYS 45 2HG LYS 45 -17.612 -1.715 4.356 372 HD2 LYS 45 1HD LYS 45 -15.736 -1.728 5.875 373 HD3 LYS 45 2HD LYS 45 -15.412 -0.016 5.579 374 HE2 LYS 45 1HE LYS 45 -16.283 -0.153 7.754 375 HE3 LYS 45 2HE LYS 45 -17.496 0.588 6.712 376 HZ1 LYS 45 3HZ LYS 45 -17.510 -2.258 7.594 377 HZ2 LYS 45 1HZ LYS 45 -18.685 -1.519 6.715 378 HZ3 LYS 45 2HZ LYS 45 -18.407 -1.039 8.248 379 H LEU 46 H LEU 46 -14.180 -3.036 0.761 380 HA LEU 46 HA LEU 46 -13.462 -0.660 -0.916 381 HB2 LEU 46 1HB LEU 46 -11.597 -2.934 -0.176 382 HB3 LEU 46 2HB LEU 46 -11.275 -1.609 -1.263 383 HG LEU 46 HG LEU 46 -11.523 0.010 0.674 384 HD11 LEU 46 1HD1 LEU 46 -12.580 -1.133 2.426 385 HD12 LEU 46 2HD1 LEU 46 -10.881 -1.257 2.913 386 HD13 LEU 46 3HD1 LEU 46 -11.665 -2.629 2.123 387 HD21 LEU 46 3HD2 LEU 46 -9.302 -2.091 0.723 388 HD22 LEU 46 1HD2 LEU 46 -9.221 -0.480 1.482 389 HD23 LEU 46 2HD2 LEU 46 -9.340 -0.629 -0.269 390 H SER 47 H SER 47 -13.559 -1.023 -3.078 391 HA SER 47 HA SER 47 -14.673 -3.583 -3.977 392 HB2 SER 47 1HB SER 47 -13.989 -1.028 -5.487 393 HB3 SER 47 2HB SER 47 -14.727 -2.456 -6.188 394 HG SER 47 HG SER 47 -16.428 -2.031 -4.407 395 H GLU 48 H GLU 48 -13.567 -5.145 -5.041 396 HA GLU 48 HA GLU 48 -10.996 -5.678 -5.341 397 HB2 GLU 48 1HB GLU 48 -13.493 -6.293 -6.866 398 HB3 GLU 48 2HB GLU 48 -12.046 -6.541 -7.800 399 HG2 GLU 48 1HG GLU 48 -12.407 -7.764 -5.070 400 HG3 GLU 48 2HG GLU 48 -12.936 -8.563 -6.566 401 H VAL 49 H VAL 49 -12.821 -3.988 -7.879 402 HA VAL 49 HA VAL 49 -10.761 -3.445 -9.727 403 HB VAL 49 HB VAL 49 -13.274 -1.829 -9.090 404 HG11 VAL 49 1HG1 VAL 49 -11.572 -2.100 -11.603 405 HG12 VAL 49 2HG1 VAL 49 -13.152 -1.276 -11.541 406 HG13 VAL 49 3HG1 VAL 49 -11.802 -0.654 -10.580 407 HG21 VAL 49 3HG2 VAL 49 -14.446 -3.172 -10.752 408 HG22 VAL 49 1HG2 VAL 49 -13.006 -4.170 -11.028 409 HG23 VAL 49 2HG2 VAL 49 -13.876 -4.235 -9.480 410 H GLN 50 H GLN 50 -11.776 -1.504 -6.893 411 HA GLN 50 HA GLN 50 -10.030 0.665 -7.598 412 HB2 GLN 50 1HB GLN 50 -12.171 0.261 -5.807 413 HB3 GLN 50 2HB GLN 50 -10.793 0.443 -4.747 414 HG2 GLN 50 1HG GLN 50 -11.865 2.317 -6.832 415 HG3 GLN 50 2HG GLN 50 -11.728 2.627 -5.108 416 HE21 GLN 50 1HE2 GLN 50 -9.126 2.323 -4.416 417 HE22 GLN 50 2HE2 GLN 50 -8.086 3.223 -5.520 418 H VAL 51 H VAL 51 -9.883 -2.095 -5.313 419 HA VAL 51 HA VAL 51 -7.371 -1.512 -4.155 420 HB VAL 51 HB VAL 51 -8.878 -4.112 -4.588 421 HG11 VAL 51 1HG1 VAL 51 -7.484 -4.983 -2.651 422 HG12 VAL 51 2HG1 VAL 51 -6.605 -4.759 -4.139 423 HG13 VAL 51 3HG1 VAL 51 -6.432 -3.572 -2.831 424 HG21 VAL 51 3HG2 VAL 51 -9.539 -3.771 -2.212 425 HG22 VAL 51 1HG2 VAL 51 -8.670 -2.232 -2.186 426 HG23 VAL 51 2HG2 VAL 51 -10.102 -2.448 -3.223 427 H LYS 52 H LYS 52 -8.181 -3.132 -7.229 428 HA LYS 52 HA LYS 52 -5.663 -4.077 -7.985 429 HB2 LYS 52 1HB LYS 52 -7.971 -4.200 -9.180 430 HB3 LYS 52 2HB LYS 52 -7.512 -2.676 -9.937 431 HG2 LYS 52 1HG LYS 52 -5.505 -3.742 -10.923 432 HG3 LYS 52 2HG LYS 52 -5.918 -5.255 -10.093 433 HD2 LYS 52 1HD LYS 52 -6.721 -5.588 -12.274 434 HD3 LYS 52 2HD LYS 52 -8.153 -5.198 -11.334 435 HE2 LYS 52 1HE LYS 52 -8.670 -3.511 -12.673 436 HE3 LYS 52 2HE LYS 52 -7.131 -2.715 -12.335 437 HZ1 LYS 52 3HZ LYS 52 -7.477 -4.811 -14.393 438 HZ2 LYS 52 1HZ LYS 52 -6.141 -3.893 -14.156 439 HZ3 LYS 52 2HZ LYS 52 -7.529 -3.214 -14.723 440 H ILE 53 H ILE 53 -6.883 -0.711 -8.062 441 HA ILE 53 HA ILE 53 -4.459 0.309 -9.387 442 HB ILE 53 HB ILE 53 -6.801 1.687 -8.039 443 HG12 ILE 53 1HG1 ILE 53 -6.493 2.133 -10.939 444 HG13 ILE 53 2HG1 ILE 53 -6.660 0.420 -10.605 445 HG21 ILE 53 1HG2 ILE 53 -4.336 2.771 -9.404 446 HG22 ILE 53 2HG2 ILE 53 -5.854 3.715 -9.382 447 HG23 ILE 53 3HG2 ILE 53 -5.065 3.261 -7.884 448 HD11 ILE 53 3HD1 ILE 53 -8.754 0.771 -9.430 449 HD12 ILE 53 1HD1 ILE 53 -8.566 2.543 -9.527 450 HD13 ILE 53 2HD1 ILE 53 -8.827 1.587 -10.995 451 H TRP 54 H TRP 54 -5.658 -0.064 -5.983 452 HA TRP 54 HA TRP 54 -3.927 1.807 -4.787 453 HB2 TRP 54 1HB TRP 54 -5.710 0.323 -3.702 454 HB3 TRP 54 2HB TRP 54 -4.479 -0.922 -3.595 455 HD1 TRP 54 HD TRP 54 -5.412 2.528 -2.185 456 HE1 TRP 54 1HE TRP 54 -4.300 2.860 0.076 457 HE3 TRP 54 3HE TRP 54 -2.192 -1.461 -2.267 458 HZ2 TRP 54 2HZ TRP 54 -2.252 1.603 1.666 459 HZ3 TRP 54 3HZ TRP 54 -0.602 -1.789 -0.380 460 HH2 TRP 54 HH TRP 54 -0.663 -0.319 1.592 461 H PHE 55 H PHE 55 -3.335 -1.529 -5.788 462 HA PHE 55 HA PHE 55 -0.569 -1.666 -5.053 463 HB2 PHE 55 1HB PHE 55 -1.939 -3.149 -7.314 464 HB3 PHE 55 2HB PHE 55 -0.483 -3.643 -6.473 465 HD1 PHE 55 2HD PHE 55 -1.060 -3.523 -3.627 466 HD2 PHE 55 1HD PHE 55 -3.714 -4.555 -6.878 467 HE1 PHE 55 2HE PHE 55 -2.513 -4.793 -2.071 468 HE2 PHE 55 1HE PHE 55 -5.074 -5.910 -5.341 469 HZ PHE 55 HZ PHE 55 -4.509 -5.985 -2.914 470 H GLN 56 H GLN 56 -1.931 0.185 -7.927 471 HA GLN 56 HA GLN 56 0.433 -0.025 -9.417 472 HB2 GLN 56 1HB GLN 56 -0.407 1.357 -10.789 473 HB3 GLN 56 2HB GLN 56 -1.866 0.808 -10.010 474 HG2 GLN 56 1HG GLN 56 -2.013 2.950 -8.748 475 HG3 GLN 56 2HG GLN 56 -0.420 3.427 -9.351 476 HE21 GLN 56 1HE2 GLN 56 -3.229 1.849 -11.013 477 HE22 GLN 56 2HE2 GLN 56 -3.250 3.081 -12.247 478 H ASN 57 H ASN 57 -0.584 1.789 -6.563 479 HA ASN 57 HA ASN 57 1.302 3.917 -6.892 480 HB2 ASN 57 1HB ASN 57 -0.341 3.213 -4.430 481 HB3 ASN 57 2HB ASN 57 0.531 4.716 -4.709 482 HD21 ASN 57 1HD2 ASN 57 -2.296 2.834 -5.606 483 HD22 ASN 57 2HD2 ASN 57 -3.097 4.112 -6.496 484 H ARG 58 H ARG 58 1.231 0.967 -5.014 485 HA ARG 58 HA ARG 58 3.016 1.570 -3.032 486 HB2 ARG 58 1HB ARG 58 2.949 -0.687 -2.437 487 HB3 ARG 58 2HB ARG 58 1.380 -0.257 -3.064 488 HG2 ARG 58 1HG ARG 58 1.582 -2.292 -4.003 489 HG3 ARG 58 2HG ARG 58 2.377 -1.390 -5.300 490 HD2 ARG 58 1HD ARG 58 4.535 -2.121 -4.642 491 HD3 ARG 58 2HD ARG 58 3.989 -2.564 -3.012 492 HE ARG 58 HE ARG 58 2.525 -4.221 -4.703 493 HH11 ARG 58 1HH1 ARG 58 5.952 -3.771 -3.906 494 HH12 ARG 58 2HH1 ARG 58 6.335 -5.443 -4.078 495 HH21 ARG 58 1HH2 ARG 58 3.011 -6.338 -5.006 496 HH22 ARG 58 2HH2 ARG 58 4.652 -6.936 -4.876 497 H ARG 59 H ARG 59 4.085 1.552 -6.038 498 HA ARG 59 HA ARG 59 6.758 0.332 -5.507 499 HB2 ARG 59 1HB ARG 59 5.525 1.385 -8.082 500 HB3 ARG 59 2HB ARG 59 7.132 0.659 -7.945 501 HG2 ARG 59 1HG ARG 59 6.153 -1.475 -7.200 502 HG3 ARG 59 2HG ARG 59 4.519 -0.777 -7.256 503 HD2 ARG 59 1HD ARG 59 4.823 -0.339 -9.696 504 HD3 ARG 59 2HD ARG 59 6.390 -1.143 -9.634 505 HE ARG 59 HE ARG 59 3.693 -2.374 -9.268 506 HH11 ARG 59 1HH1 ARG 59 7.204 -2.985 -9.590 507 HH12 ARG 59 2HH1 ARG 59 6.954 -4.460 -10.443 508 HH21 ARG 59 1HH2 ARG 59 3.409 -4.421 -10.093 509 HH22 ARG 59 2HH2 ARG 59 4.770 -5.425 -10.471 510 H ALA 60 H ALA 60 5.382 3.361 -4.968 511 HA ALA 60 HA ALA 60 7.539 4.922 -6.181 512 HB1 ALA 60 1HB ALA 60 5.364 5.858 -6.300 513 HB2 ALA 60 2HB ALA 60 5.119 5.702 -4.535 514 HB3 ALA 60 3HB ALA 60 6.312 6.846 -5.191 515 H LYS 61 H LYS 61 6.907 3.621 -2.988 516 HA LYS 61 HA LYS 61 8.029 5.292 -1.235 517 HB2 LYS 61 1HB LYS 61 7.054 3.181 -0.662 518 HB3 LYS 61 2HB LYS 61 8.381 2.294 -1.436 519 HG2 LYS 61 1HG LYS 61 9.941 3.043 0.292 520 HG3 LYS 61 2HG LYS 61 8.767 4.189 0.935 521 HD2 LYS 61 1HD LYS 61 7.282 2.339 1.617 522 HD3 LYS 61 2HD LYS 61 8.414 1.178 0.897 523 HE2 LYS 61 1HE LYS 61 8.624 1.199 3.317 524 HE3 LYS 61 2HE LYS 61 10.129 1.741 2.566 525 HZ1 LYS 61 3HZ LYS 61 9.442 3.018 4.518 526 HZ2 LYS 61 1HZ LYS 61 8.125 3.607 3.685 527 HZ3 LYS 61 2HZ LYS 61 9.628 3.979 3.207 528 H TRP 62 H TRP 62 10.001 3.119 -3.264 529 HA TRP 62 HA TRP 62 12.506 4.013 -2.113 530 HB2 TRP 62 1HB TRP 62 12.191 2.544 -4.731 531 HB3 TRP 62 2HB TRP 62 13.463 2.407 -3.531 532 HD1 TRP 62 HD TRP 62 12.404 1.374 -1.011 533 HE1 TRP 62 1HE TRP 62 10.959 -0.702 -0.732 534 HE3 TRP 62 3HE TRP 62 10.395 1.184 -5.708 535 HZ2 TRP 62 2HZ TRP 62 9.114 -2.246 -2.355 536 HZ3 TRP 62 3HZ TRP 62 8.867 -0.635 -6.357 537 HH2 TRP 62 HH TRP 62 8.207 -2.379 -4.683 538 H LYS 63 H LYS 63 10.687 4.785 -5.132 539 HA LYS 63 HA LYS 63 12.670 6.509 -6.317 540 HB2 LYS 63 1HB LYS 63 9.689 5.991 -6.595 541 HB3 LYS 63 2HB LYS 63 10.275 7.537 -7.114 542 HG2 LYS 63 1HG LYS 63 10.197 6.297 -9.031 543 HG3 LYS 63 2HG LYS 63 11.918 6.384 -8.654 544 HD2 LYS 63 1HD LYS 63 12.011 4.064 -8.096 545 HD3 LYS 63 2HD LYS 63 10.275 3.976 -7.780 546 HE2 LYS 63 1HE LYS 63 10.697 2.848 -9.875 547 HE3 LYS 63 2HE LYS 63 9.761 4.317 -10.163 548 HZ1 LYS 63 3HZ LYS 63 12.644 3.945 -10.750 549 HZ2 LYS 63 1HZ LYS 63 11.877 5.389 -10.879 550 HZ3 LYS 63 2HZ LYS 63 11.419 4.134 -11.801 551 H ARG 64 H ARG 64 10.132 7.062 -3.774 552 HA ARG 64 HA ARG 64 10.261 9.825 -3.661 553 HB2 ARG 64 1HB ARG 64 9.332 7.611 -2.019 554 HB3 ARG 64 2HB ARG 64 10.124 8.758 -0.961 555 HG2 ARG 64 1HG ARG 64 7.957 9.465 -2.967 556 HG3 ARG 64 2HG ARG 64 7.661 9.035 -1.294 557 HD2 ARG 64 1HD ARG 64 9.297 11.423 -2.266 558 HD3 ARG 64 2HD ARG 64 7.638 11.481 -1.658 559 HE ARG 64 HE ARG 64 9.406 10.336 0.337 560 HH11 ARG 64 1HH1 ARG 64 8.603 13.419 -1.213 561 HH12 ARG 64 2HH1 ARG 64 9.200 14.382 0.056 562 HH21 ARG 64 1HH2 ARG 64 10.202 11.602 2.043 563 HH22 ARG 64 2HH2 ARG 64 10.189 13.328 1.971 564 H ILE 65 H ILE 65 12.337 7.530 -1.845 565 HA ILE 65 HA ILE 65 13.898 9.730 -0.730 566 HB ILE 65 HB ILE 65 14.095 6.708 -0.505 567 HG12 ILE 65 1HG1 ILE 65 13.364 8.992 1.400 568 HG13 ILE 65 2HG1 ILE 65 12.230 7.863 0.663 569 HG21 ILE 65 1HG2 ILE 65 16.419 7.678 -0.403 570 HG22 ILE 65 2HG2 ILE 65 15.870 8.771 0.880 571 HG23 ILE 65 3HG2 ILE 65 15.903 7.017 1.141 572 HD11 ILE 65 3HD1 ILE 65 14.344 7.164 2.737 573 HD12 ILE 65 1HD1 ILE 65 12.602 7.279 2.956 574 HD13 ILE 65 2HD1 ILE 65 13.270 5.993 1.921 575 H LYS 66 H LYS 66 14.584 6.997 -3.006 576 HA LYS 66 HA LYS 66 17.028 8.338 -3.899 577 HB2 LYS 66 1HB LYS 66 16.490 5.764 -3.551 578 HB3 LYS 66 2HB LYS 66 15.814 5.847 -5.159 579 HG2 LYS 66 1HG LYS 66 18.655 6.681 -4.387 580 HG3 LYS 66 2HG LYS 66 18.203 5.081 -4.969 581 HD2 LYS 66 1HD LYS 66 17.471 6.088 -7.142 582 HD3 LYS 66 2HD LYS 66 17.972 7.667 -6.540 583 HE2 LYS 66 1HE LYS 66 19.785 6.937 -7.873 584 HE3 LYS 66 2HE LYS 66 20.304 6.812 -6.198 585 HZ1 LYS 66 3HZ LYS 66 19.845 4.395 -6.354 586 HZ2 LYS 66 1HZ LYS 66 20.981 4.892 -7.418 587 HZ3 LYS 66 2HZ LYS 66 19.480 4.555 -7.954 588 H ALA 67 H ALA 67 15.107 10.165 -4.287 589 HA ALA 67 HA ALA 67 14.207 10.014 -7.105 590 HB1 ALA 67 1HB ALA 67 12.735 11.238 -5.464 591 HB2 ALA 67 2HB ALA 67 14.056 12.403 -5.255 592 HB3 ALA 67 3HB ALA 67 13.304 12.222 -6.825 593 H GLY 68 H GLY 68 16.035 9.877 -8.316 594 HA2 GLY 68 1HA GLY 68 18.447 11.368 -7.545 595 HA3 GLY 68 2HA GLY 68 18.283 10.174 -8.836 596 H ASN 69 H ASN 69 16.836 13.375 -8.005 597 HA ASN 69 HA ASN 69 17.482 14.461 -10.653 598 HB2 ASN 69 1HB ASN 69 15.321 13.259 -11.049 599 HB3 ASN 69 2HB ASN 69 14.648 14.132 -9.644 600 HD21 ASN 69 1HD2 ASN 69 16.300 14.835 -12.798 601 HD22 ASN 69 2HD2 ASN 69 15.315 16.273 -13.111 602 H VAL 70 H VAL 70 18.163 16.500 -10.180 603 HA VAL 70 HA VAL 70 16.644 18.163 -8.360 604 HB VAL 70 HB VAL 70 18.652 18.977 -7.184 605 HG11 VAL 70 1HG1 VAL 70 18.983 17.158 -5.615 606 HG12 VAL 70 2HG1 VAL 70 17.291 17.167 -6.127 607 HG13 VAL 70 3HG1 VAL 70 18.400 15.962 -6.791 608 HG21 VAL 70 3HG2 VAL 70 20.412 18.378 -8.815 609 HG22 VAL 70 1HG2 VAL 70 20.781 17.737 -7.211 610 HG23 VAL 70 2HG2 VAL 70 20.162 16.653 -8.475 611 H SER 71 H SER 71 17.459 20.483 -8.706 612 HA SER 71 HA SER 71 17.816 22.239 -10.057 613 HB2 SER 71 1HB SER 71 20.186 20.567 -10.937 614 HB3 SER 71 2HB SER 71 20.047 22.331 -11.021 615 HG SER 71 HG SER 71 21.200 21.501 -9.150 Start of MODEL 7 1 H1 SER 1 H SER 1 13.802 -9.946 2.384 2 HA SER 1 HA SER 1 10.884 -10.343 2.597 3 HB2 SER 1 1HB SER 1 12.377 -12.260 3.332 4 HB3 SER 1 2HB SER 1 12.990 -11.205 4.613 5 HG SER 1 HG SER 1 11.198 -12.686 5.065 6 H ALA 2 H ALA 2 9.823 -8.840 3.609 7 HA ALA 2 HA ALA 2 9.289 -6.983 4.870 8 HB1 ALA 2 1HB ALA 2 9.339 -7.774 7.177 9 HB2 ALA 2 2HB ALA 2 8.955 -9.081 6.037 10 HB3 ALA 2 3HB ALA 2 10.579 -8.966 6.753 11 HA PRO 3 HA PRO 3 13.414 -4.841 5.559 12 HB2 PRO 3 1HB PRO 3 13.288 -2.822 3.770 13 HB3 PRO 3 2HB PRO 3 13.801 -4.464 3.277 14 HG2 PRO 3 1HG PRO 3 11.003 -3.275 3.117 15 HG3 PRO 3 2HG PRO 3 11.944 -4.000 1.785 16 HD2 PRO 3 1HD PRO 3 10.166 -5.504 3.171 17 HD3 PRO 3 2HD PRO 3 11.757 -6.193 2.747 18 H GLY 4 H GLY 4 10.069 -4.132 5.812 19 HA2 GLY 4 1HA GLY 4 8.979 -2.695 7.238 20 HA3 GLY 4 2HA GLY 4 10.522 -1.926 7.662 21 H GLY 5 H GLY 5 8.835 -0.109 7.378 22 HA2 GLY 5 1HA GLY 5 8.413 1.852 6.222 23 HA3 GLY 5 2HA GLY 5 9.052 1.160 4.717 24 H LYS 6 H LYS 6 6.482 2.576 5.269 25 HA LYS 6 HA LYS 6 4.499 0.796 4.108 26 HB2 LYS 6 1HB LYS 6 2.988 0.803 6.039 27 HB3 LYS 6 2HB LYS 6 4.503 0.016 6.452 28 HG2 LYS 6 1HG LYS 6 5.161 2.427 7.389 29 HG3 LYS 6 2HG LYS 6 3.420 2.681 7.365 30 HD2 LYS 6 1HD LYS 6 3.682 1.975 9.497 31 HD3 LYS 6 2HD LYS 6 3.389 0.400 8.753 32 HE2 LYS 6 1HE LYS 6 5.851 -0.009 8.682 33 HE3 LYS 6 2HE LYS 6 6.146 1.644 9.248 34 HZ1 LYS 6 3HZ LYS 6 4.884 -0.487 10.878 35 HZ2 LYS 6 1HZ LYS 6 5.114 1.083 11.348 36 HZ3 LYS 6 2HZ LYS 6 6.382 0.145 11.058 37 H SER 7 H SER 7 3.025 2.159 2.953 38 HA SER 7 HA SER 7 2.360 4.760 3.834 39 HB2 SER 7 1HB SER 7 3.321 5.904 1.710 40 HB3 SER 7 2HB SER 7 4.409 5.580 3.049 41 HG SER 7 HG SER 7 5.210 5.012 0.920 42 H ARG 8 H ARG 8 1.128 5.919 1.858 43 HA ARG 8 HA ARG 8 0.225 4.109 -0.191 44 HB2 ARG 8 1HB ARG 8 -2.186 4.591 0.043 45 HB3 ARG 8 2HB ARG 8 -1.530 3.569 1.288 46 HG2 ARG 8 1HG ARG 8 -3.129 4.966 2.288 47 HG3 ARG 8 2HG ARG 8 -1.569 5.523 2.886 48 HD2 ARG 8 1HD ARG 8 -1.726 7.549 1.625 49 HD3 ARG 8 2HD ARG 8 -2.933 6.862 0.524 50 HE ARG 8 HE ARG 8 -4.585 7.551 1.903 51 HH11 ARG 8 1HH1 ARG 8 -1.659 7.409 4.020 52 HH12 ARG 8 2HH1 ARG 8 -2.539 8.148 5.317 53 HH21 ARG 8 1HH2 ARG 8 -5.562 8.550 3.627 54 HH22 ARG 8 2HH2 ARG 8 -4.720 8.909 5.092 55 H ARG 9 H ARG 9 -0.671 5.303 -2.026 56 HA ARG 9 HA ARG 9 0.085 8.167 -2.023 57 HB2 ARG 9 1HB ARG 9 -0.789 6.312 -4.277 58 HB3 ARG 9 2HB ARG 9 -0.473 8.045 -4.456 59 HG2 ARG 9 1HG ARG 9 1.847 7.561 -3.412 60 HG3 ARG 9 2HG ARG 9 1.488 5.870 -3.684 61 HD2 ARG 9 1HD ARG 9 2.845 6.711 -5.489 62 HD3 ARG 9 2HD ARG 9 1.248 6.262 -6.083 63 HE ARG 9 HE ARG 9 1.055 8.319 -6.925 64 HH11 ARG 9 1HH1 ARG 9 3.021 8.937 -3.967 65 HH12 ARG 9 2HH1 ARG 9 3.704 10.373 -4.618 66 HH21 ARG 9 1HH2 ARG 9 1.860 10.319 -7.638 67 HH22 ARG 9 2HH2 ARG 9 2.934 11.238 -6.665 68 H ARG 10 H ARG 10 -1.325 9.769 -2.544 69 HA ARG 10 HA ARG 10 -4.118 9.628 -1.820 70 HB2 ARG 10 1HB ARG 10 -2.484 11.512 -1.395 71 HB3 ARG 10 2HB ARG 10 -2.402 11.781 -3.124 72 HG2 ARG 10 1HG ARG 10 -5.164 11.969 -2.588 73 HG3 ARG 10 2HG ARG 10 -4.403 12.652 -1.141 74 HD2 ARG 10 1HD ARG 10 -2.999 14.104 -2.618 75 HD3 ARG 10 2HD ARG 10 -3.842 13.414 -4.026 76 HE ARG 10 HE ARG 10 -5.677 14.591 -2.122 77 HH11 ARG 10 1HH1 ARG 10 -3.321 15.491 -4.648 78 HH12 ARG 10 2HH1 ARG 10 -4.267 16.844 -5.195 79 HH21 ARG 10 1HH2 ARG 10 -6.830 16.439 -2.842 80 HH22 ARG 10 2HH2 ARG 10 -6.187 17.477 -4.090 81 H ARG 11 H ARG 11 -4.255 7.779 -3.635 82 HA ARG 11 HA ARG 11 -5.554 9.113 -5.921 83 HB2 ARG 11 1HB ARG 11 -3.058 8.174 -6.343 84 HB3 ARG 11 2HB ARG 11 -4.013 6.758 -6.835 85 HG2 ARG 11 1HG ARG 11 -5.418 8.325 -8.254 86 HG3 ARG 11 2HG ARG 11 -4.341 9.644 -7.768 87 HD2 ARG 11 1HD ARG 11 -2.423 8.391 -8.818 88 HD3 ARG 11 2HD ARG 11 -3.583 7.222 -9.438 89 HE ARG 11 HE ARG 11 -4.494 8.810 -10.891 90 HH11 ARG 11 1HH1 ARG 11 -1.711 10.213 -9.144 91 HH12 ARG 11 2HH1 ARG 11 -1.789 11.699 -10.061 92 HH21 ARG 11 1HH2 ARG 11 -4.538 10.817 -12.044 93 HH22 ARG 11 2HH2 ARG 11 -3.369 12.031 -11.660 94 H THR 12 H THR 12 -6.854 8.386 -3.870 95 HA THR 12 HA THR 12 -8.723 6.548 -5.062 96 HB THR 12 HB THR 12 -7.266 4.899 -4.071 97 HG1 THR 12 1HG THR 12 -8.765 3.788 -2.873 98 HG21 THR 12 3HG2 THR 12 -7.876 5.928 -1.310 99 HG22 THR 12 1HG2 THR 12 -6.350 6.291 -2.163 100 HG23 THR 12 2HG2 THR 12 -6.796 4.616 -1.809 101 H ALA 13 H ALA 13 -10.410 6.126 -2.971 102 HA ALA 13 HA ALA 13 -10.823 8.548 -1.403 103 HB1 ALA 13 1HB ALA 13 -12.945 7.452 -3.294 104 HB2 ALA 13 2HB ALA 13 -13.210 8.698 -2.054 105 HB3 ALA 13 3HB ALA 13 -12.147 9.026 -3.441 106 H PHE 14 H PHE 14 -9.780 6.040 -0.741 107 HA PHE 14 HA PHE 14 -11.864 4.454 0.582 108 HB2 PHE 14 1HB PHE 14 -8.846 4.578 0.992 109 HB3 PHE 14 2HB PHE 14 -9.891 3.385 1.745 110 HD1 PHE 14 2HD PHE 14 -11.489 2.268 -0.486 111 HD2 PHE 14 1HD PHE 14 -7.306 3.159 -0.072 112 HE1 PHE 14 2HE PHE 14 -10.954 0.550 -2.163 113 HE2 PHE 14 1HE PHE 14 -6.776 1.350 -1.668 114 HZ PHE 14 HZ PHE 14 -8.578 0.063 -2.735 115 H THR 15 H THR 15 -11.837 4.234 2.952 116 HA THR 15 HA THR 15 -11.881 6.887 4.216 117 HB THR 15 HB THR 15 -13.494 5.990 5.677 118 HG1 THR 15 1HG THR 15 -13.847 3.968 6.081 119 HG21 THR 15 3HG2 THR 15 -14.047 4.630 2.993 120 HG22 THR 15 1HG2 THR 15 -14.328 6.356 3.347 121 HG23 THR 15 2HG2 THR 15 -15.239 5.108 4.222 122 H SER 16 H SER 16 -10.879 7.145 6.322 123 HA SER 16 HA SER 16 -8.212 6.176 6.486 124 HB2 SER 16 1HB SER 16 -8.865 8.308 7.324 125 HB3 SER 16 2HB SER 16 -10.149 7.623 8.323 126 HG SER 16 HG SER 16 -7.382 7.718 8.792 127 H GLU 17 H GLU 17 -11.218 5.132 8.010 128 HA GLU 17 HA GLU 17 -10.217 3.280 9.898 129 HB2 GLU 17 1HB GLU 17 -12.729 4.150 8.760 130 HB3 GLU 17 2HB GLU 17 -12.700 2.398 8.663 131 HG2 GLU 17 1HG GLU 17 -12.113 2.354 11.128 132 HG3 GLU 17 2HG GLU 17 -12.325 4.113 11.144 133 H GLN 18 H GLN 18 -10.855 2.948 6.381 134 HA GLN 18 HA GLN 18 -10.686 0.044 6.610 135 HB2 GLN 18 1HB GLN 18 -11.961 0.008 4.747 136 HB3 GLN 18 2HB GLN 18 -12.246 1.645 5.256 137 HG2 GLN 18 1HG GLN 18 -10.628 2.490 3.624 138 HG3 GLN 18 2HG GLN 18 -10.447 0.860 2.984 139 HE21 GLN 18 1HE2 GLN 18 -13.281 0.029 3.190 140 HE22 GLN 18 2HE2 GLN 18 -14.181 1.059 2.079 141 H LEU 19 H LEU 19 -8.608 2.562 5.994 142 HA LEU 19 HA LEU 19 -6.493 1.159 4.511 143 HB2 LEU 19 1HB LEU 19 -6.217 3.550 6.385 144 HB3 LEU 19 2HB LEU 19 -5.037 2.996 5.198 145 HG LEU 19 HG LEU 19 -7.726 4.283 4.703 146 HD11 LEU 19 1HD1 LEU 19 -5.952 5.828 5.198 147 HD12 LEU 19 2HD1 LEU 19 -6.479 5.975 3.513 148 HD13 LEU 19 3HD1 LEU 19 -4.951 5.127 3.902 149 HD21 LEU 19 3HD2 LEU 19 -5.985 2.840 2.700 150 HD22 LEU 19 1HD2 LEU 19 -7.123 4.114 2.237 151 HD23 LEU 19 2HD2 LEU 19 -7.735 2.650 3.019 152 H LEU 20 H LEU 20 -7.530 0.840 7.877 153 HA LEU 20 HA LEU 20 -4.938 0.506 8.997 154 HB2 LEU 20 1HB LEU 20 -7.795 -0.121 9.749 155 HB3 LEU 20 2HB LEU 20 -6.536 -0.913 10.658 156 HG LEU 20 HG LEU 20 -6.595 2.113 10.298 157 HD11 LEU 20 1HD1 LEU 20 -8.677 1.419 11.400 158 HD12 LEU 20 2HD1 LEU 20 -7.594 2.192 12.577 159 HD13 LEU 20 3HD1 LEU 20 -7.756 0.429 12.552 160 HD21 LEU 20 3HD2 LEU 20 -4.410 1.171 11.018 161 HD22 LEU 20 1HD2 LEU 20 -5.212 0.295 12.335 162 HD23 LEU 20 2HD2 LEU 20 -5.167 2.070 12.336 163 H GLU 21 H GLU 21 -7.348 -1.820 7.836 164 HA GLU 21 HA GLU 21 -5.884 -4.212 8.354 165 HB2 GLU 21 1HB GLU 21 -8.068 -3.514 6.377 166 HB3 GLU 21 2HB GLU 21 -7.571 -5.158 6.698 167 HG2 GLU 21 1HG GLU 21 -8.487 -3.419 8.992 168 HG3 GLU 21 2HG GLU 21 -9.658 -4.175 7.945 169 H LEU 22 H LEU 22 -6.097 -2.061 5.580 170 HA LEU 22 HA LEU 22 -4.681 -3.619 3.617 171 HB2 LEU 22 1HB LEU 22 -5.211 -0.662 4.132 172 HB3 LEU 22 2HB LEU 22 -4.118 -1.078 2.853 173 HG LEU 22 HG LEU 22 -7.051 -1.810 3.042 174 HD11 LEU 22 1HD1 LEU 22 -5.515 0.255 1.449 175 HD12 LEU 22 2HD1 LEU 22 -6.930 0.450 2.522 176 HD13 LEU 22 3HD1 LEU 22 -7.118 -0.310 0.949 177 HD21 LEU 22 3HD2 LEU 22 -5.845 -3.583 1.822 178 HD22 LEU 22 1HD2 LEU 22 -5.003 -2.383 0.837 179 HD23 LEU 22 2HD2 LEU 22 -6.781 -2.628 0.695 180 H GLU 23 H GLU 23 -3.598 -1.057 5.865 181 HA GLU 23 HA GLU 23 -0.830 -1.300 5.194 182 HB2 GLU 23 1HB GLU 23 -2.375 -0.162 7.547 183 HB3 GLU 23 2HB GLU 23 -0.596 -0.120 7.433 184 HG2 GLU 23 1HG GLU 23 -0.742 1.073 5.324 185 HG3 GLU 23 2HG GLU 23 -2.507 1.084 5.383 186 H LYS 24 H LYS 24 -2.815 -2.799 7.755 187 HA LYS 24 HA LYS 24 -0.863 -3.959 9.339 188 HB2 LYS 24 1HB LYS 24 -3.202 -3.930 9.895 189 HB3 LYS 24 2HB LYS 24 -3.614 -4.942 8.510 190 HG2 LYS 24 1HG LYS 24 -2.542 -6.881 9.513 191 HG3 LYS 24 2HG LYS 24 -1.958 -5.887 10.877 192 HD2 LYS 24 1HD LYS 24 -4.288 -5.327 11.466 193 HD3 LYS 24 2HD LYS 24 -4.892 -6.272 10.110 194 HE2 LYS 24 1HE LYS 24 -4.343 -8.329 11.089 195 HE3 LYS 24 2HE LYS 24 -3.125 -7.612 12.167 196 HZ1 LYS 24 3HZ LYS 24 -6.020 -7.106 12.437 197 HZ2 LYS 24 1HZ LYS 24 -4.827 -6.631 13.457 198 HZ3 LYS 24 2HZ LYS 24 -5.216 -8.247 13.281 199 H GLU 25 H GLU 25 -2.230 -5.321 6.320 200 HA GLU 25 HA GLU 25 -0.451 -7.652 6.423 201 HB2 GLU 25 1HB GLU 25 -2.418 -6.447 4.453 202 HB3 GLU 25 2HB GLU 25 -1.307 -7.722 3.903 203 HG2 GLU 25 1HG GLU 25 -2.878 -8.088 6.469 204 HG3 GLU 25 2HG GLU 25 -3.667 -8.325 4.918 205 H PHE 26 H PHE 26 -0.427 -4.541 4.628 206 HA PHE 26 HA PHE 26 1.838 -5.228 3.022 207 HB2 PHE 26 1HB PHE 26 0.019 -3.078 3.184 208 HB3 PHE 26 2HB PHE 26 1.560 -2.356 3.550 209 HD1 PHE 26 2HD PHE 26 0.475 -5.070 1.117 210 HD2 PHE 26 1HD PHE 26 2.306 -1.198 1.639 211 HE1 PHE 26 2HE PHE 26 0.813 -4.912 -1.316 212 HE2 PHE 26 1HE PHE 26 2.672 -1.055 -0.809 213 HZ PHE 26 HZ PHE 26 1.933 -2.903 -2.293 214 H HIS 27 H HIS 27 1.608 -4.234 6.290 215 HA HIS 27 HA HIS 27 4.076 -3.115 6.886 216 HB2 HIS 27 1HB HIS 27 2.096 -3.421 8.409 217 HB3 HIS 27 2HB HIS 27 2.495 -5.129 8.544 218 HD1 HIS 27 1HD HIS 27 3.705 -5.538 10.818 219 HD2 HIS 27 2HD HIS 27 4.444 -1.797 9.020 220 HE1 HIS 27 1HE HIS 27 5.218 -4.279 12.414 221 H CYS 28 H CYS 28 3.263 -6.652 7.088 222 HA CYS 28 HA CYS 28 6.096 -7.403 7.152 223 HB2 CYS 28 1HB CYS 28 3.462 -8.953 6.952 224 HB3 CYS 28 2HB CYS 28 5.040 -9.721 6.701 225 HG CYS 28 HG CYS 28 3.668 -8.366 9.326 226 H LYS 29 H LYS 29 3.331 -7.854 4.875 227 HA LYS 29 HA LYS 29 5.346 -8.599 2.817 228 HB2 LYS 29 1HB LYS 29 3.607 -10.113 1.938 229 HB3 LYS 29 2HB LYS 29 4.289 -10.525 3.496 230 HG2 LYS 29 1HG LYS 29 2.273 -10.796 4.361 231 HG3 LYS 29 2HG LYS 29 1.953 -9.095 4.174 232 HD2 LYS 29 1HD LYS 29 0.157 -10.371 3.188 233 HD3 LYS 29 2HD LYS 29 1.023 -9.450 1.963 234 HE2 LYS 29 1HE LYS 29 0.562 -11.607 1.020 235 HE3 LYS 29 2HE LYS 29 2.290 -11.495 1.318 236 HZ1 LYS 29 3HZ LYS 29 0.296 -13.101 2.810 237 HZ2 LYS 29 1HZ LYS 29 1.771 -12.718 3.506 238 HZ3 LYS 29 2HZ LYS 29 1.708 -13.568 2.140 239 H LYS 30 H LYS 30 5.682 -6.805 1.858 240 HA LYS 30 HA LYS 30 3.759 -4.860 1.093 241 HB2 LYS 30 1HB LYS 30 6.254 -4.647 1.475 242 HB3 LYS 30 2HB LYS 30 6.504 -5.300 -0.133 243 HG2 LYS 30 1HG LYS 30 4.546 -3.073 -0.040 244 HG3 LYS 30 2HG LYS 30 6.090 -2.600 0.617 245 HD2 LYS 30 1HD LYS 30 6.204 -4.064 -2.005 246 HD3 LYS 30 2HD LYS 30 5.398 -2.512 -2.018 247 HE2 LYS 30 1HE LYS 30 7.681 -2.044 -2.529 248 HE3 LYS 30 2HE LYS 30 7.429 -1.502 -0.858 249 HZ1 LYS 30 3HZ LYS 30 9.465 -2.690 -1.005 250 HZ2 LYS 30 1HZ LYS 30 8.740 -3.993 -1.730 251 HZ3 LYS 30 2HZ LYS 30 8.438 -3.597 -0.143 252 H TYR 31 H TYR 31 3.406 -7.823 0.056 253 HA TYR 31 HA TYR 31 2.317 -7.034 -2.434 254 HB2 TYR 31 1HB TYR 31 3.370 -9.017 -3.634 255 HB3 TYR 31 2HB TYR 31 4.384 -7.606 -3.407 256 HD1 TYR 31 1HD TYR 31 3.757 -11.093 -2.188 257 HD2 TYR 31 2HD TYR 31 6.345 -7.622 -2.006 258 HE1 TYR 31 1HE TYR 31 5.531 -12.454 -1.115 259 HE2 TYR 31 2HE TYR 31 8.109 -8.975 -0.961 260 HH TYR 31 HH TYR 31 8.793 -11.121 -0.468 261 H LEU 32 H LEU 32 0.667 -8.413 -3.003 262 HA LEU 32 HA LEU 32 -0.113 -10.457 -1.000 263 HB2 LEU 32 1HB LEU 32 -1.625 -8.656 -2.941 264 HB3 LEU 32 2HB LEU 32 -2.358 -10.081 -2.295 265 HG LEU 32 HG LEU 32 -3.126 -8.820 -0.667 266 HD11 LEU 32 1HD1 LEU 32 -1.852 -8.317 1.309 267 HD12 LEU 32 2HD1 LEU 32 -0.321 -8.430 0.427 268 HD13 LEU 32 3HD1 LEU 32 -1.319 -9.877 0.722 269 HD21 LEU 32 3HD2 LEU 32 -2.723 -6.748 -1.857 270 HD22 LEU 32 1HD2 LEU 32 -1.024 -6.720 -1.303 271 HD23 LEU 32 2HD2 LEU 32 -2.360 -6.553 -0.142 272 H SER 33 H SER 33 -0.902 -12.401 -1.715 273 HA SER 33 HA SER 33 -0.246 -13.263 -4.468 274 HB2 SER 33 1HB SER 33 0.988 -14.397 -2.730 275 HB3 SER 33 2HB SER 33 -0.502 -14.831 -1.872 276 HG SER 33 HG SER 33 -0.775 -16.450 -3.126 277 H LEU 34 H LEU 34 -2.169 -12.307 -5.249 278 HA LEU 34 HA LEU 34 -4.282 -12.037 -5.777 279 HB2 LEU 34 1HB LEU 34 -3.154 -14.194 -6.875 280 HB3 LEU 34 2HB LEU 34 -4.541 -14.984 -6.164 281 HG LEU 34 HG LEU 34 -5.259 -14.450 -8.305 282 HD11 LEU 34 1HD1 LEU 34 -6.918 -13.534 -6.652 283 HD12 LEU 34 2HD1 LEU 34 -6.956 -12.745 -8.227 284 HD13 LEU 34 3HD1 LEU 34 -6.197 -11.927 -6.856 285 HD21 LEU 34 3HD2 LEU 34 -4.008 -11.680 -8.071 286 HD22 LEU 34 1HD2 LEU 34 -4.841 -12.375 -9.483 287 HD23 LEU 34 2HD2 LEU 34 -3.319 -13.073 -8.931 288 H THR 35 H THR 35 -4.805 -15.150 -4.039 289 HA THR 35 HA THR 35 -7.353 -14.760 -3.031 290 HB THR 35 HB THR 35 -4.910 -16.031 -1.739 291 HG1 THR 35 1HG THR 35 -6.625 -17.600 -3.247 292 HG21 THR 35 3HG2 THR 35 -6.447 -17.634 -0.739 293 HG22 THR 35 1HG2 THR 35 -7.838 -16.791 -1.441 294 HG23 THR 35 2HG2 THR 35 -6.836 -15.991 -0.210 295 H GLU 36 H GLU 36 -4.214 -13.552 -1.850 296 HA GLU 36 HA GLU 36 -5.034 -12.720 0.752 297 HB2 GLU 36 1HB GLU 36 -2.853 -11.738 -1.117 298 HB3 GLU 36 2HB GLU 36 -2.954 -11.321 0.593 299 HG2 GLU 36 1HG GLU 36 -2.631 -14.170 -0.454 300 HG3 GLU 36 2HG GLU 36 -1.280 -13.096 -0.109 301 H ARG 37 H ARG 37 -5.166 -11.265 -2.485 302 HA ARG 37 HA ARG 37 -5.485 -8.592 -1.596 303 HB2 ARG 37 1HB ARG 37 -4.771 -9.168 -3.900 304 HB3 ARG 37 2HB ARG 37 -6.358 -9.886 -4.197 305 HG2 ARG 37 1HG ARG 37 -7.266 -7.490 -3.576 306 HG3 ARG 37 2HG ARG 37 -5.621 -6.982 -3.883 307 HD2 ARG 37 1HD ARG 37 -7.246 -6.709 -5.801 308 HD3 ARG 37 2HD ARG 37 -5.778 -7.605 -6.184 309 HE ARG 37 HE ARG 37 -7.191 -9.064 -7.098 310 HH11 ARG 37 1HH1 ARG 37 -8.938 -8.129 -4.105 311 HH12 ARG 37 2HH1 ARG 37 -9.921 -9.565 -4.174 312 HH21 ARG 37 1HH2 ARG 37 -8.669 -10.859 -7.146 313 HH22 ARG 37 2HH2 ARG 37 -9.722 -11.088 -5.802 314 H SER 38 H SER 38 -7.737 -11.290 -2.249 315 HA SER 38 HA SER 38 -10.110 -9.652 -1.910 316 HB2 SER 38 1HB SER 38 -9.560 -12.590 -2.275 317 HB3 SER 38 2HB SER 38 -11.191 -11.995 -1.886 318 HG SER 38 HG SER 38 -11.408 -11.350 -3.823 319 H GLN 39 H GLN 39 -7.867 -10.713 0.475 320 HA GLN 39 HA GLN 39 -9.785 -11.392 2.535 321 HB2 GLN 39 1HB GLN 39 -6.946 -10.281 2.740 322 HB3 GLN 39 2HB GLN 39 -7.990 -10.670 4.094 323 HG2 GLN 39 1HG GLN 39 -8.104 -13.067 2.980 324 HG3 GLN 39 2HG GLN 39 -6.669 -12.541 2.121 325 HE21 GLN 39 1HE2 GLN 39 -4.808 -13.587 3.253 326 HE22 GLN 39 2HE2 GLN 39 -4.843 -13.707 4.987 327 H ILE 40 H ILE 40 -7.840 -8.354 2.331 328 HA ILE 40 HA ILE 40 -9.578 -6.908 3.963 329 HB ILE 40 HB ILE 40 -7.668 -6.020 1.773 330 HG12 ILE 40 1HG1 ILE 40 -6.816 -4.901 4.173 331 HG13 ILE 40 2HG1 ILE 40 -7.505 -6.424 4.732 332 HG21 ILE 40 1HG2 ILE 40 -7.962 -3.691 2.734 333 HG22 ILE 40 2HG2 ILE 40 -9.307 -4.283 1.780 334 HG23 ILE 40 3HG2 ILE 40 -9.406 -4.288 3.550 335 HD11 ILE 40 3HD1 ILE 40 -5.992 -7.649 3.215 336 HD12 ILE 40 1HD1 ILE 40 -5.358 -6.101 2.581 337 HD13 ILE 40 2HD1 ILE 40 -5.072 -6.547 4.255 338 H ALA 41 H ALA 41 -9.782 -7.294 0.417 339 HA ALA 41 HA ALA 41 -11.734 -5.345 -0.045 340 HB1 ALA 41 1HB ALA 41 -11.385 -7.960 -1.543 341 HB2 ALA 41 2HB ALA 41 -12.179 -6.498 -2.143 342 HB3 ALA 41 3HB ALA 41 -10.427 -6.485 -1.827 343 H HIS 42 H HIS 42 -12.206 -8.739 1.063 344 HA HIS 42 HA HIS 42 -15.143 -8.396 0.965 345 HB2 HIS 42 1HB HIS 42 -13.973 -10.346 -0.076 346 HB3 HIS 42 2HB HIS 42 -13.424 -10.831 1.528 347 HD1 HIS 42 1HD HIS 42 -14.752 -13.111 0.654 348 HD2 HIS 42 2HD HIS 42 -17.068 -9.741 1.659 349 HE1 HIS 42 1HE HIS 42 -17.117 -13.961 1.036 350 H ALA 43 H ALA 43 -12.623 -7.862 3.227 351 HA ALA 43 HA ALA 43 -14.008 -8.948 5.561 352 HB1 ALA 43 1HB ALA 43 -11.415 -7.374 5.175 353 HB2 ALA 43 2HB ALA 43 -12.049 -7.928 6.725 354 HB3 ALA 43 3HB ALA 43 -11.576 -9.118 5.492 355 H LEU 44 H LEU 44 -12.955 -5.861 4.070 356 HA LEU 44 HA LEU 44 -14.359 -4.452 6.190 357 HB2 LEU 44 1HB LEU 44 -12.305 -3.693 4.160 358 HB3 LEU 44 2HB LEU 44 -13.267 -2.404 4.889 359 HG LEU 44 HG LEU 44 -11.726 -4.415 6.561 360 HD11 LEU 44 1HD1 LEU 44 -10.889 -1.811 5.245 361 HD12 LEU 44 2HD1 LEU 44 -10.042 -3.337 5.339 362 HD13 LEU 44 3HD1 LEU 44 -10.157 -2.310 6.769 363 HD21 LEU 44 3HD2 LEU 44 -13.540 -3.198 7.769 364 HD22 LEU 44 1HD2 LEU 44 -12.871 -1.648 7.210 365 HD23 LEU 44 2HD2 LEU 44 -11.944 -2.688 8.309 366 H LYS 45 H LYS 45 -14.138 -3.377 2.862 367 HA LYS 45 HA LYS 45 -16.816 -3.322 2.052 368 HB2 LYS 45 1HB LYS 45 -17.622 -1.104 2.566 369 HB3 LYS 45 2HB LYS 45 -17.454 -2.066 4.004 370 HG2 LYS 45 1HG LYS 45 -14.945 -0.935 3.651 371 HG3 LYS 45 2HG LYS 45 -16.102 0.339 3.221 372 HD2 LYS 45 1HD LYS 45 -17.227 -0.498 5.567 373 HD3 LYS 45 2HD LYS 45 -15.551 -0.994 5.902 374 HE2 LYS 45 1HE LYS 45 -14.813 1.332 5.334 375 HE3 LYS 45 2HE LYS 45 -16.496 1.660 4.880 376 HZ1 LYS 45 3HZ LYS 45 -15.875 2.509 7.086 377 HZ2 LYS 45 1HZ LYS 45 -15.649 0.987 7.630 378 HZ3 LYS 45 2HZ LYS 45 -17.147 1.484 7.157 379 H LEU 46 H LEU 46 -13.899 -3.260 1.081 380 HA LEU 46 HA LEU 46 -13.679 -0.662 -0.321 381 HB2 LEU 46 1HB LEU 46 -11.834 -3.088 -0.243 382 HB3 LEU 46 2HB LEU 46 -11.553 -1.681 -1.238 383 HG LEU 46 HG LEU 46 -11.397 -0.210 0.797 384 HD11 LEU 46 1HD1 LEU 46 -11.401 -2.950 2.150 385 HD12 LEU 46 2HD1 LEU 46 -12.555 -1.628 2.445 386 HD13 LEU 46 3HD1 LEU 46 -10.869 -1.446 2.923 387 HD21 LEU 46 3HD2 LEU 46 -9.374 -0.966 -0.294 388 HD22 LEU 46 1HD2 LEU 46 -9.478 -2.553 0.464 389 HD23 LEU 46 2HD2 LEU 46 -9.157 -1.114 1.449 390 H SER 47 H SER 47 -12.726 -1.210 -2.810 391 HA SER 47 HA SER 47 -14.667 -3.032 -4.116 392 HB2 SER 47 1HB SER 47 -15.236 -0.587 -4.360 393 HB3 SER 47 2HB SER 47 -13.689 -0.362 -5.201 394 HG SER 47 HG SER 47 -15.792 -0.828 -6.375 395 H GLU 48 H GLU 48 -13.614 -4.607 -5.149 396 HA GLU 48 HA GLU 48 -10.931 -5.146 -4.940 397 HB2 GLU 48 1HB GLU 48 -12.976 -6.097 -6.961 398 HB3 GLU 48 2HB GLU 48 -11.369 -6.809 -6.798 399 HG2 GLU 48 1HG GLU 48 -11.789 -7.593 -4.594 400 HG3 GLU 48 2HG GLU 48 -13.279 -6.641 -4.454 401 H VAL 49 H VAL 49 -12.479 -3.348 -7.607 402 HA VAL 49 HA VAL 49 -10.201 -3.440 -9.333 403 HB VAL 49 HB VAL 49 -12.207 -2.917 -10.379 404 HG11 VAL 49 1HG1 VAL 49 -12.541 -0.454 -8.650 405 HG12 VAL 49 2HG1 VAL 49 -13.607 -1.003 -9.953 406 HG13 VAL 49 3HG1 VAL 49 -13.461 -1.966 -8.486 407 HG21 VAL 49 3HG2 VAL 49 -11.761 -0.860 -11.577 408 HG22 VAL 49 1HG2 VAL 49 -10.720 -0.254 -10.272 409 HG23 VAL 49 2HG2 VAL 49 -10.211 -1.669 -11.235 410 H GLN 50 H GLN 50 -11.267 -1.036 -6.923 411 HA GLN 50 HA GLN 50 -9.126 0.814 -7.296 412 HB2 GLN 50 1HB GLN 50 -11.404 0.536 -5.604 413 HB3 GLN 50 2HB GLN 50 -10.055 0.504 -4.498 414 HG2 GLN 50 1HG GLN 50 -10.830 2.642 -6.474 415 HG3 GLN 50 2HG GLN 50 -10.809 2.767 -4.685 416 HE21 GLN 50 1HE2 GLN 50 -8.017 1.549 -4.463 417 HE22 GLN 50 2HE2 GLN 50 -6.995 2.818 -5.099 418 H VAL 51 H VAL 51 -9.586 -2.026 -5.285 419 HA VAL 51 HA VAL 51 -7.260 -1.862 -3.690 420 HB VAL 51 HB VAL 51 -9.093 -4.132 -4.508 421 HG11 VAL 51 1HG1 VAL 51 -8.250 -5.514 -2.754 422 HG12 VAL 51 2HG1 VAL 51 -6.863 -5.053 -3.766 423 HG13 VAL 51 3HG1 VAL 51 -7.140 -4.248 -2.218 424 HG21 VAL 51 3HG2 VAL 51 -10.036 -3.864 -2.258 425 HG22 VAL 51 1HG2 VAL 51 -8.809 -2.647 -1.863 426 HG23 VAL 51 2HG2 VAL 51 -10.050 -2.282 -3.058 427 H LYS 52 H LYS 52 -7.794 -3.741 -6.801 428 HA LYS 52 HA LYS 52 -5.183 -4.752 -6.836 429 HB2 LYS 52 1HB LYS 52 -5.708 -5.523 -8.996 430 HB3 LYS 52 2HB LYS 52 -7.196 -5.604 -8.047 431 HG2 LYS 52 1HG LYS 52 -8.300 -4.221 -9.314 432 HG3 LYS 52 2HG LYS 52 -6.961 -3.087 -9.451 433 HD2 LYS 52 1HD LYS 52 -5.995 -4.377 -11.300 434 HD3 LYS 52 2HD LYS 52 -7.366 -5.522 -11.196 435 HE2 LYS 52 1HE LYS 52 -8.951 -3.608 -11.487 436 HE3 LYS 52 2HE LYS 52 -7.613 -2.488 -11.584 437 HZ1 LYS 52 3HZ LYS 52 -8.538 -3.110 -13.721 438 HZ2 LYS 52 1HZ LYS 52 -8.012 -4.670 -13.540 439 HZ3 LYS 52 2HZ LYS 52 -6.931 -3.414 -13.615 440 H ILE 53 H ILE 53 -6.000 -1.513 -7.273 441 HA ILE 53 HA ILE 53 -3.558 -1.041 -8.923 442 HB ILE 53 HB ILE 53 -5.715 0.932 -8.333 443 HG12 ILE 53 1HG1 ILE 53 -5.415 -0.173 -11.138 444 HG13 ILE 53 2HG1 ILE 53 -6.206 -1.221 -9.986 445 HG21 ILE 53 1HG2 ILE 53 -3.267 0.827 -10.143 446 HG22 ILE 53 2HG2 ILE 53 -4.598 2.000 -10.430 447 HG23 ILE 53 3HG2 ILE 53 -3.683 2.050 -8.926 448 HD11 ILE 53 3HD1 ILE 53 -7.899 0.096 -11.039 449 HD12 ILE 53 1HD1 ILE 53 -7.766 0.599 -9.347 450 HD13 ILE 53 2HD1 ILE 53 -7.053 1.608 -10.632 451 H TRP 54 H TRP 54 -5.119 -0.301 -5.795 452 HA TRP 54 HA TRP 54 -3.493 1.769 -4.867 453 HB2 TRP 54 1HB TRP 54 -5.424 1.086 -3.634 454 HB3 TRP 54 2HB TRP 54 -4.827 -0.554 -3.484 455 HD1 TRP 54 HD TRP 54 -4.764 2.761 -1.708 456 HE1 TRP 54 1HE TRP 54 -3.679 2.415 0.651 457 HE3 TRP 54 3HE TRP 54 -3.015 -2.015 -2.213 458 HZ2 TRP 54 2HZ TRP 54 -2.032 0.507 1.954 459 HZ3 TRP 54 3HZ TRP 54 -1.744 -3.087 -0.377 460 HH2 TRP 54 HH TRP 54 -1.265 -1.837 1.708 461 H PHE 55 H PHE 55 -2.857 -1.753 -4.863 462 HA PHE 55 HA PHE 55 -0.175 -1.284 -3.713 463 HB2 PHE 55 1HB PHE 55 0.231 -3.594 -3.851 464 HB3 PHE 55 2HB PHE 55 -1.343 -3.343 -3.127 465 HD1 PHE 55 2HD PHE 55 0.437 -4.425 -6.244 466 HD2 PHE 55 1HD PHE 55 -3.287 -4.424 -4.063 467 HE1 PHE 55 2HE PHE 55 -0.451 -6.153 -7.755 468 HE2 PHE 55 1HE PHE 55 -4.147 -6.165 -5.572 469 HZ PHE 55 HZ PHE 55 -2.747 -7.010 -7.447 470 H GLN 56 H GLN 56 -1.537 -1.917 -7.008 471 HA GLN 56 HA GLN 56 0.590 -2.761 -8.390 472 HB2 GLN 56 1HB GLN 56 -1.808 -2.356 -8.940 473 HB3 GLN 56 2HB GLN 56 -1.345 -0.726 -9.441 474 HG2 GLN 56 1HG GLN 56 0.255 -1.796 -11.074 475 HG3 GLN 56 2HG GLN 56 -0.350 -3.382 -10.580 476 HE21 GLN 56 1HE2 GLN 56 -3.090 -3.100 -10.357 477 HE22 GLN 56 2HE2 GLN 56 -3.774 -2.515 -11.839 478 H ASN 57 H ASN 57 -0.132 0.557 -7.522 479 HA ASN 57 HA ASN 57 1.768 1.885 -9.119 480 HB2 ASN 57 1HB ASN 57 0.449 2.599 -6.480 481 HB3 ASN 57 2HB ASN 57 1.751 3.603 -7.102 482 HD21 ASN 57 1HD2 ASN 57 -1.595 2.510 -7.767 483 HD22 ASN 57 2HD2 ASN 57 -1.909 3.759 -8.946 484 H ARG 58 H ARG 58 2.334 0.249 -5.952 485 HA ARG 58 HA ARG 58 4.976 1.397 -5.749 486 HB2 ARG 58 1HB ARG 58 3.505 0.349 -3.870 487 HB3 ARG 58 2HB ARG 58 4.195 -1.206 -4.408 488 HG2 ARG 58 1HG ARG 58 6.319 -0.664 -3.620 489 HG3 ARG 58 2HG ARG 58 6.126 1.067 -3.932 490 HD2 ARG 58 1HD ARG 58 4.612 1.299 -2.053 491 HD3 ARG 58 2HD ARG 58 4.800 -0.412 -1.628 492 HE ARG 58 HE ARG 58 7.406 0.644 -1.679 493 HH11 ARG 58 1HH1 ARG 58 4.414 1.579 0.020 494 HH12 ARG 58 2HH1 ARG 58 5.241 2.552 1.161 495 HH21 ARG 58 1HH2 ARG 58 8.479 1.646 -0.079 496 HH22 ARG 58 2HH2 ARG 58 7.682 2.391 1.276 497 H ARG 59 H ARG 59 3.765 -1.049 -7.844 498 HA ARG 59 HA ARG 59 6.528 -2.149 -8.160 499 HB2 ARG 59 1HB ARG 59 4.098 -3.545 -8.116 500 HB3 ARG 59 2HB ARG 59 4.447 -3.384 -9.836 501 HG2 ARG 59 1HG ARG 59 6.872 -4.126 -9.186 502 HG3 ARG 59 2HG ARG 59 6.153 -4.617 -7.648 503 HD2 ARG 59 1HD ARG 59 5.241 -5.569 -10.413 504 HD3 ARG 59 2HD ARG 59 6.433 -6.429 -9.429 505 HE ARG 59 HE ARG 59 4.498 -6.366 -7.658 506 HH11 ARG 59 1HH1 ARG 59 4.444 -7.377 -11.067 507 HH12 ARG 59 2HH1 ARG 59 3.277 -8.618 -10.839 508 HH21 ARG 59 1HH2 ARG 59 2.761 -7.796 -7.386 509 HH22 ARG 59 2HH2 ARG 59 2.298 -8.883 -8.640 510 H ALA 60 H ALA 60 3.955 -0.314 -9.773 511 HA ALA 60 HA ALA 60 5.444 -0.418 -12.307 512 HB1 ALA 60 1HB ALA 60 3.352 0.259 -13.289 513 HB2 ALA 60 2HB ALA 60 3.078 -1.102 -12.184 514 HB3 ALA 60 3HB ALA 60 2.648 0.557 -11.680 515 H LYS 61 H LYS 61 5.158 1.923 -9.758 516 HA LYS 61 HA LYS 61 4.906 4.330 -11.090 517 HB2 LYS 61 1HB LYS 61 4.993 4.212 -8.737 518 HB3 LYS 61 2HB LYS 61 6.590 3.487 -8.707 519 HG2 LYS 61 1HG LYS 61 6.370 6.189 -9.990 520 HG3 LYS 61 2HG LYS 61 6.050 6.120 -8.291 521 HD2 LYS 61 1HD LYS 61 8.248 5.368 -7.781 522 HD3 LYS 61 2HD LYS 61 8.536 4.766 -9.389 523 HE2 LYS 61 1HE LYS 61 8.403 7.705 -8.601 524 HE3 LYS 61 2HE LYS 61 9.859 6.773 -8.950 525 HZ1 LYS 61 3HZ LYS 61 8.425 6.466 -11.224 526 HZ2 LYS 61 1HZ LYS 61 9.602 7.617 -10.950 527 HZ3 LYS 61 2HZ LYS 61 8.023 7.987 -10.760 528 H TRP 62 H TRP 62 7.939 2.406 -10.956 529 HA TRP 62 HA TRP 62 9.454 4.494 -12.315 530 HB2 TRP 62 1HB TRP 62 10.184 1.570 -12.148 531 HB3 TRP 62 2HB TRP 62 11.254 2.947 -12.355 532 HD1 TRP 62 HD TRP 62 11.462 4.620 -10.110 533 HE1 TRP 62 1HE TRP 62 11.011 4.188 -7.618 534 HE3 TRP 62 3HE TRP 62 9.124 0.076 -10.449 535 HZ2 TRP 62 2HZ TRP 62 10.302 1.914 -5.977 536 HZ3 TRP 62 3HZ TRP 62 8.658 -1.239 -8.470 537 HH2 TRP 62 HH TRP 62 9.254 -0.353 -6.171 538 H LYS 63 H LYS 63 7.807 1.460 -13.346 539 HA LYS 63 HA LYS 63 8.443 1.553 -16.094 540 HB2 LYS 63 1HB LYS 63 6.256 0.336 -14.371 541 HB3 LYS 63 2HB LYS 63 6.005 0.466 -16.085 542 HG2 LYS 63 1HG LYS 63 6.848 -1.657 -15.877 543 HG3 LYS 63 2HG LYS 63 8.237 -0.726 -16.411 544 HD2 LYS 63 1HD LYS 63 9.104 -0.704 -14.054 545 HD3 LYS 63 2HD LYS 63 7.680 -1.644 -13.535 546 HE2 LYS 63 1HE LYS 63 8.273 -3.368 -15.317 547 HE3 LYS 63 2HE LYS 63 9.748 -2.452 -15.635 548 HZ1 LYS 63 3HZ LYS 63 9.079 -3.977 -13.206 549 HZ2 LYS 63 1HZ LYS 63 10.346 -2.899 -13.253 550 HZ3 LYS 63 2HZ LYS 63 10.293 -4.197 -14.253 551 H ARG 64 H ARG 64 5.816 3.217 -14.231 552 HA ARG 64 HA ARG 64 4.619 4.279 -16.548 553 HB2 ARG 64 1HB ARG 64 4.401 4.751 -13.639 554 HB3 ARG 64 2HB ARG 64 3.902 6.127 -14.616 555 HG2 ARG 64 1HG ARG 64 2.906 3.296 -15.036 556 HG3 ARG 64 2HG ARG 64 2.052 4.495 -14.071 557 HD2 ARG 64 1HD ARG 64 1.539 5.897 -15.848 558 HD3 ARG 64 2HD ARG 64 2.802 5.282 -16.895 559 HE ARG 64 HE ARG 64 1.258 3.103 -16.801 560 HH11 ARG 64 1HH1 ARG 64 0.339 6.532 -17.299 561 HH12 ARG 64 2HH1 ARG 64 -0.811 6.187 -18.511 562 HH21 ARG 64 1HH2 ARG 64 -0.430 2.632 -18.335 563 HH22 ARG 64 2HH2 ARG 64 -1.441 3.885 -18.912 564 H ILE 65 H ILE 65 7.676 5.188 -15.474 565 HA ILE 65 HA ILE 65 7.506 7.599 -17.220 566 HB ILE 65 HB ILE 65 9.811 6.711 -15.419 567 HG12 ILE 65 1HG1 ILE 65 7.637 8.818 -15.025 568 HG13 ILE 65 2HG1 ILE 65 7.975 7.419 -14.006 569 HG21 ILE 65 1HG2 ILE 65 10.479 7.961 -17.486 570 HG22 ILE 65 2HG2 ILE 65 9.374 9.269 -17.041 571 HG23 ILE 65 3HG2 ILE 65 10.790 8.900 -16.028 572 HD11 ILE 65 3HD1 ILE 65 8.789 9.348 -12.870 573 HD12 ILE 65 1HD1 ILE 65 10.209 8.428 -13.427 574 HD13 ILE 65 2HD1 ILE 65 9.687 9.909 -14.277 575 H LYS 66 H LYS 66 9.318 4.617 -16.496 576 HA LYS 66 HA LYS 66 10.850 4.628 -18.914 577 HB2 LYS 66 1HB LYS 66 11.278 3.824 -16.431 578 HB3 LYS 66 2HB LYS 66 10.579 2.300 -16.964 579 HG2 LYS 66 1HG LYS 66 12.413 1.843 -18.374 580 HG3 LYS 66 2HG LYS 66 12.789 3.567 -18.608 581 HD2 LYS 66 1HD LYS 66 13.513 3.744 -16.245 582 HD3 LYS 66 2HD LYS 66 13.243 1.999 -16.032 583 HE2 LYS 66 1HE LYS 66 14.982 1.452 -17.561 584 HE3 LYS 66 2HE LYS 66 14.963 3.056 -18.288 585 HZ1 LYS 66 3HZ LYS 66 15.932 3.955 -16.320 586 HZ2 LYS 66 1HZ LYS 66 16.872 2.747 -16.956 587 HZ3 LYS 66 2HZ LYS 66 15.991 2.488 -15.582 588 H ALA 67 H ALA 67 7.916 4.459 -19.407 589 HA ALA 67 HA ALA 67 7.920 2.345 -21.319 590 HB1 ALA 67 1HB ALA 67 7.185 1.163 -19.140 591 HB2 ALA 67 2HB ALA 67 5.753 2.221 -19.159 592 HB3 ALA 67 3HB ALA 67 6.038 1.082 -20.473 593 H GLY 68 H GLY 68 7.069 3.347 -23.025 594 HA2 GLY 68 1HA GLY 68 5.514 4.484 -24.314 595 HA3 GLY 68 2HA GLY 68 4.634 4.958 -22.862 596 H ASN 69 H ASN 69 4.823 6.828 -24.617 597 HA ASN 69 HA ASN 69 7.034 8.696 -24.225 598 HB2 ASN 69 1HB ASN 69 5.894 10.056 -25.779 599 HB3 ASN 69 2HB ASN 69 5.527 8.449 -26.351 600 HD21 ASN 69 1HD2 ASN 69 4.047 11.259 -26.316 601 HD22 ASN 69 2HD2 ASN 69 2.491 10.911 -25.658 602 H VAL 70 H VAL 70 5.941 11.075 -23.877 603 HA VAL 70 HA VAL 70 3.900 11.139 -21.805 604 HB VAL 70 HB VAL 70 6.073 11.269 -20.630 605 HG11 VAL 70 1HG1 VAL 70 7.593 13.189 -20.897 606 HG12 VAL 70 2HG1 VAL 70 7.549 12.163 -22.332 607 HG13 VAL 70 3HG1 VAL 70 6.680 13.719 -22.323 608 HG21 VAL 70 3HG2 VAL 70 4.644 13.938 -20.641 609 HG22 VAL 70 1HG2 VAL 70 4.149 12.470 -19.743 610 HG23 VAL 70 2HG2 VAL 70 5.693 13.276 -19.361 611 H SER 71 H SER 71 2.611 13.139 -22.105 612 HA SER 71 HA SER 71 1.361 14.366 -23.498 613 HB2 SER 71 1HB SER 71 3.937 15.537 -23.740 614 HB3 SER 71 2HB SER 71 3.285 15.471 -25.372 615 HG SER 71 HG SER 71 1.397 16.503 -24.607 Start of MODEL 8 1 H1 SER 1 H SER 1 -9.737 21.590 15.796 2 HA SER 1 HA SER 1 -12.176 21.126 15.910 3 HB2 SER 1 1HB SER 1 -11.519 24.093 15.891 4 HB3 SER 1 2HB SER 1 -12.772 23.269 16.830 5 HG SER 1 HG SER 1 -10.600 23.828 17.811 6 H ALA 2 H ALA 2 -13.050 20.302 13.869 7 HA ALA 2 HA ALA 2 -13.918 22.369 11.911 8 HB1 ALA 2 1HB ALA 2 -11.740 21.654 11.182 9 HB2 ALA 2 2HB ALA 2 -12.182 19.942 11.354 10 HB3 ALA 2 3HB ALA 2 -12.960 20.961 10.113 11 HA PRO 3 HA PRO 3 -17.242 19.197 12.610 12 HB2 PRO 3 1HB PRO 3 -19.364 20.941 12.699 13 HB3 PRO 3 2HB PRO 3 -18.383 20.488 14.126 14 HG2 PRO 3 1HG PRO 3 -18.098 22.948 12.374 15 HG3 PRO 3 2HG PRO 3 -18.134 22.861 14.165 16 HD2 PRO 3 1HD PRO 3 -15.795 23.009 12.787 17 HD3 PRO 3 2HD PRO 3 -15.932 21.999 14.258 18 H GLY 4 H GLY 4 -16.495 21.742 10.314 19 HA2 GLY 4 1HA GLY 4 -17.353 20.004 8.172 20 HA3 GLY 4 2HA GLY 4 -17.977 21.672 8.122 21 H GLY 5 H GLY 5 -16.315 20.954 6.130 22 HA2 GLY 5 1HA GLY 5 -14.537 22.110 5.046 23 HA3 GLY 5 2HA GLY 5 -13.775 22.418 6.621 24 H LYS 6 H LYS 6 -12.495 21.117 4.288 25 HA LYS 6 HA LYS 6 -11.522 18.734 5.581 26 HB2 LYS 6 1HB LYS 6 -13.760 18.126 4.266 27 HB3 LYS 6 2HB LYS 6 -12.730 18.214 2.841 28 HG2 LYS 6 1HG LYS 6 -11.180 16.542 3.932 29 HG3 LYS 6 2HG LYS 6 -12.297 16.448 5.301 30 HD2 LYS 6 1HD LYS 6 -12.885 15.648 2.426 31 HD3 LYS 6 2HD LYS 6 -12.608 14.554 3.789 32 HE2 LYS 6 1HE LYS 6 -14.645 15.567 4.920 33 HE3 LYS 6 2HE LYS 6 -14.961 16.471 3.435 34 HZ1 LYS 6 3HZ LYS 6 -15.196 14.354 2.274 35 HZ2 LYS 6 1HZ LYS 6 -16.222 14.439 3.574 36 HZ3 LYS 6 2HZ LYS 6 -14.879 13.530 3.681 37 H SER 7 H SER 7 -9.355 18.653 5.019 38 HA SER 7 HA SER 7 -8.758 18.846 2.203 39 HB2 SER 7 1HB SER 7 -8.377 21.194 3.123 40 HB3 SER 7 2HB SER 7 -7.056 20.525 4.092 41 HG SER 7 HG SER 7 -6.633 21.452 1.871 42 H ARG 8 H ARG 8 -7.049 17.474 1.685 43 HA ARG 8 HA ARG 8 -5.161 16.148 3.199 44 HB2 ARG 8 1HB ARG 8 -7.917 15.038 3.518 45 HB3 ARG 8 2HB ARG 8 -6.797 13.867 2.867 46 HG2 ARG 8 1HG ARG 8 -5.769 15.347 5.245 47 HG3 ARG 8 2HG ARG 8 -7.189 14.337 5.515 48 HD2 ARG 8 1HD ARG 8 -6.091 12.350 4.725 49 HD3 ARG 8 2HD ARG 8 -4.714 13.285 4.121 50 HE ARG 8 HE ARG 8 -3.738 13.084 6.145 51 HH11 ARG 8 1HH1 ARG 8 -7.208 12.707 6.846 52 HH12 ARG 8 2HH1 ARG 8 -6.960 12.741 8.559 53 HH21 ARG 8 1HH2 ARG 8 -3.430 13.013 8.286 54 HH22 ARG 8 2HH2 ARG 8 -4.767 13.092 9.411 55 H ARG 9 H ARG 9 -3.866 15.318 1.481 56 HA ARG 9 HA ARG 9 -4.930 15.369 -1.228 57 HB2 ARG 9 1HB ARG 9 -2.303 14.266 -0.161 58 HB3 ARG 9 2HB ARG 9 -2.675 14.563 -1.850 59 HG2 ARG 9 1HG ARG 9 -2.648 16.804 0.218 60 HG3 ARG 9 2HG ARG 9 -1.195 16.224 -0.578 61 HD2 ARG 9 1HD ARG 9 -2.097 16.857 -2.782 62 HD3 ARG 9 2HD ARG 9 -3.617 17.358 -2.027 63 HE ARG 9 HE ARG 9 -2.692 19.333 -1.434 64 HH11 ARG 9 1HH1 ARG 9 0.067 17.341 -2.506 65 HH12 ARG 9 2HH1 ARG 9 1.252 18.319 -1.704 66 HH21 ARG 9 1HH2 ARG 9 -1.073 20.824 -0.704 67 HH22 ARG 9 2HH2 ARG 9 0.597 20.414 -0.873 68 H ARG 10 H ARG 10 -6.791 13.839 -0.654 69 HA ARG 10 HA ARG 10 -6.135 10.976 -0.335 70 HB2 ARG 10 1HB ARG 10 -8.712 12.558 -0.719 71 HB3 ARG 10 2HB ARG 10 -8.636 10.803 -0.810 72 HG2 ARG 10 1HG ARG 10 -7.647 10.892 1.590 73 HG3 ARG 10 2HG ARG 10 -8.256 12.564 1.613 74 HD2 ARG 10 1HD ARG 10 -10.499 11.692 0.897 75 HD3 ARG 10 2HD ARG 10 -9.869 10.048 0.971 76 HE ARG 10 HE ARG 10 -9.544 11.451 3.487 77 HH11 ARG 10 1HH1 ARG 10 -12.067 9.966 1.431 78 HH12 ARG 10 2HH1 ARG 10 -13.076 9.555 2.790 79 HH21 ARG 10 1HH2 ARG 10 -10.925 10.884 5.244 80 HH22 ARG 10 2HH2 ARG 10 -12.455 10.134 4.937 81 H ARG 11 H ARG 11 -4.860 10.571 -2.292 82 HA ARG 11 HA ARG 11 -6.037 11.261 -4.874 83 HB2 ARG 11 1HB ARG 11 -3.474 10.937 -4.120 84 HB3 ARG 11 2HB ARG 11 -3.815 9.268 -4.548 85 HG2 ARG 11 1HG ARG 11 -3.101 10.038 -6.612 86 HG3 ARG 11 2HG ARG 11 -4.802 10.431 -6.788 87 HD2 ARG 11 1HD ARG 11 -3.907 12.449 -7.393 88 HD3 ARG 11 2HD ARG 11 -3.974 12.743 -5.658 89 HE ARG 11 HE ARG 11 -1.639 12.350 -5.484 90 HH11 ARG 11 1HH1 ARG 11 -2.682 11.807 -8.842 91 HH12 ARG 11 2HH1 ARG 11 -1.115 11.969 -9.514 92 HH21 ARG 11 1HH2 ARG 11 0.521 12.365 -6.410 93 HH22 ARG 11 2HH2 ARG 11 0.700 12.323 -8.104 94 H THR 12 H THR 12 -7.163 9.015 -2.701 95 HA THR 12 HA THR 12 -7.832 7.012 -4.763 96 HB THR 12 HB THR 12 -6.573 6.506 -2.031 97 HG1 THR 12 1HG THR 12 -4.839 6.601 -3.112 98 HG21 THR 12 3HG2 THR 12 -6.485 4.131 -2.778 99 HG22 THR 12 1HG2 THR 12 -7.542 4.573 -4.138 100 HG23 THR 12 2HG2 THR 12 -8.122 4.708 -2.460 101 H ALA 13 H ALA 13 -9.671 5.722 -4.193 102 HA ALA 13 HA ALA 13 -11.736 7.283 -2.888 103 HB1 ALA 13 1HB ALA 13 -11.989 6.292 -5.152 104 HB2 ALA 13 2HB ALA 13 -11.841 4.664 -4.454 105 HB3 ALA 13 3HB ALA 13 -13.223 5.693 -4.032 106 H PHE 14 H PHE 14 -9.875 6.160 -0.922 107 HA PHE 14 HA PHE 14 -11.709 4.286 0.512 108 HB2 PHE 14 1HB PHE 14 -8.701 4.275 0.725 109 HB3 PHE 14 2HB PHE 14 -9.829 3.154 1.501 110 HD1 PHE 14 2HD PHE 14 -11.590 2.308 -0.764 111 HD2 PHE 14 1HD PHE 14 -7.319 2.908 -0.535 112 HE1 PHE 14 2HE PHE 14 -11.246 0.584 -2.485 113 HE2 PHE 14 1HE PHE 14 -6.990 1.234 -2.301 114 HZ PHE 14 HZ PHE 14 -8.918 0.023 -3.260 115 H THR 15 H THR 15 -10.740 4.279 2.957 116 HA THR 15 HA THR 15 -10.603 7.090 3.860 117 HB THR 15 HB THR 15 -12.268 6.741 5.443 118 HG1 THR 15 1HG THR 15 -12.988 4.884 6.122 119 HG21 THR 15 3HG2 THR 15 -13.212 6.938 3.101 120 HG22 THR 15 1HG2 THR 15 -14.297 6.140 4.260 121 HG23 THR 15 2HG2 THR 15 -13.410 5.171 3.084 122 H SER 16 H SER 16 -9.932 7.036 6.339 123 HA SER 16 HA SER 16 -7.438 5.635 6.410 124 HB2 SER 16 1HB SER 16 -8.056 7.865 7.373 125 HB3 SER 16 2HB SER 16 -8.858 7.018 8.714 126 HG SER 16 HG SER 16 -6.861 6.188 9.318 127 H GLU 17 H GLU 17 -10.697 4.915 7.788 128 HA GLU 17 HA GLU 17 -9.818 2.789 9.514 129 HB2 GLU 17 1HB GLU 17 -12.432 3.733 8.306 130 HB3 GLU 17 2HB GLU 17 -12.340 2.233 9.225 131 HG2 GLU 17 1HG GLU 17 -11.527 3.396 11.204 132 HG3 GLU 17 2HG GLU 17 -11.377 4.905 10.320 133 H GLN 18 H GLN 18 -11.071 3.013 6.156 134 HA GLN 18 HA GLN 18 -10.887 0.197 5.637 135 HB2 GLN 18 1HB GLN 18 -11.101 2.661 3.860 136 HB3 GLN 18 2HB GLN 18 -11.171 1.009 3.244 137 HG2 GLN 18 1HG GLN 18 -13.115 0.517 4.665 138 HG3 GLN 18 2HG GLN 18 -13.061 2.118 5.384 139 HE21 GLN 18 1HE2 GLN 18 -12.768 1.158 1.879 140 HE22 GLN 18 2HE2 GLN 18 -14.176 2.105 1.409 141 H LEU 19 H LEU 19 -8.391 2.440 5.992 142 HA LEU 19 HA LEU 19 -6.500 1.049 4.184 143 HB2 LEU 19 1HB LEU 19 -6.716 3.705 5.525 144 HB3 LEU 19 2HB LEU 19 -5.112 3.048 5.533 145 HG LEU 19 HG LEU 19 -4.818 3.182 3.256 146 HD11 LEU 19 1HD1 LEU 19 -6.778 2.093 2.334 147 HD12 LEU 19 2HD1 LEU 19 -6.534 3.651 1.565 148 HD13 LEU 19 3HD1 LEU 19 -7.798 3.460 2.816 149 HD21 LEU 19 3HD2 LEU 19 -5.306 5.464 2.680 150 HD22 LEU 19 1HD2 LEU 19 -4.937 5.352 4.400 151 HD23 LEU 19 2HD2 LEU 19 -6.622 5.533 3.897 152 H LEU 20 H LEU 20 -7.650 0.448 7.348 153 HA LEU 20 HA LEU 20 -5.227 0.482 8.790 154 HB2 LEU 20 1HB LEU 20 -8.005 -0.678 9.168 155 HB3 LEU 20 2HB LEU 20 -6.746 -1.091 10.291 156 HG LEU 20 HG LEU 20 -7.389 1.805 9.654 157 HD11 LEU 20 1HD1 LEU 20 -8.500 0.152 11.953 158 HD12 LEU 20 2HD1 LEU 20 -9.422 0.675 10.548 159 HD13 LEU 20 3HD1 LEU 20 -8.775 1.890 11.660 160 HD21 LEU 20 3HD2 LEU 20 -5.200 1.437 10.739 161 HD22 LEU 20 1HD2 LEU 20 -5.972 0.473 12.011 162 HD23 LEU 20 2HD2 LEU 20 -6.313 2.214 11.857 163 H GLU 21 H GLU 21 -7.125 -2.271 7.531 164 HA GLU 21 HA GLU 21 -5.260 -4.361 8.242 165 HB2 GLU 21 1HB GLU 21 -7.428 -4.099 6.122 166 HB3 GLU 21 2HB GLU 21 -6.608 -5.610 6.496 167 HG2 GLU 21 1HG GLU 21 -7.880 -4.170 8.820 168 HG3 GLU 21 2HG GLU 21 -8.956 -4.837 7.606 169 H LEU 22 H LEU 22 -5.834 -2.378 5.467 170 HA LEU 22 HA LEU 22 -4.263 -3.669 3.535 171 HB2 LEU 22 1HB LEU 22 -6.213 -1.793 3.565 172 HB3 LEU 22 2HB LEU 22 -4.865 -0.682 3.637 173 HG LEU 22 HG LEU 22 -4.055 -1.741 1.434 174 HD11 LEU 22 1HD1 LEU 22 -6.925 -2.705 1.184 175 HD12 LEU 22 2HD1 LEU 22 -5.664 -3.799 1.754 176 HD13 LEU 22 3HD1 LEU 22 -5.548 -3.063 0.138 177 HD21 LEU 22 3HD2 LEU 22 -5.194 0.432 1.534 178 HD22 LEU 22 1HD2 LEU 22 -6.777 -0.362 1.684 179 HD23 LEU 22 2HD2 LEU 22 -5.854 -0.468 0.154 180 H GLU 23 H GLU 23 -3.423 -1.204 5.924 181 HA GLU 23 HA GLU 23 -0.612 -1.032 4.960 182 HB2 GLU 23 1HB GLU 23 -2.130 0.289 7.218 183 HB3 GLU 23 2HB GLU 23 -0.372 0.173 7.268 184 HG2 GLU 23 1HG GLU 23 -0.500 1.137 4.815 185 HG3 GLU 23 2HG GLU 23 -2.114 1.645 5.334 186 H LYS 24 H LYS 24 -2.506 -2.668 7.551 187 HA LYS 24 HA LYS 24 -0.163 -3.188 9.076 188 HB2 LYS 24 1HB LYS 24 -2.428 -3.144 10.039 189 HB3 LYS 24 2HB LYS 24 -2.815 -4.625 9.161 190 HG2 LYS 24 1HG LYS 24 -1.831 -5.902 10.768 191 HG3 LYS 24 2HG LYS 24 -0.331 -5.003 10.646 192 HD2 LYS 24 1HD LYS 24 -1.552 -3.209 12.126 193 HD3 LYS 24 2HD LYS 24 -2.650 -4.534 12.531 194 HE2 LYS 24 1HE LYS 24 0.392 -4.484 12.847 195 HE3 LYS 24 2HE LYS 24 -0.778 -4.307 14.157 196 HZ1 LYS 24 3HZ LYS 24 -1.477 -6.529 13.849 197 HZ2 LYS 24 1HZ LYS 24 0.162 -6.563 13.927 198 HZ3 LYS 24 2HZ LYS 24 -0.586 -6.743 12.478 199 H GLU 25 H GLU 25 -2.032 -5.242 6.796 200 HA GLU 25 HA GLU 25 -0.133 -7.390 6.868 201 HB2 GLU 25 1HB GLU 25 -2.205 -6.482 4.809 202 HB3 GLU 25 2HB GLU 25 -1.218 -7.935 4.581 203 HG2 GLU 25 1HG GLU 25 -3.190 -7.437 6.832 204 HG3 GLU 25 2HG GLU 25 -3.415 -8.512 5.456 205 H PHE 26 H PHE 26 0.124 -4.232 5.526 206 HA PHE 26 HA PHE 26 2.109 -4.937 3.533 207 HB2 PHE 26 1HB PHE 26 0.580 -2.648 4.124 208 HB3 PHE 26 2HB PHE 26 2.252 -2.176 4.374 209 HD1 PHE 26 2HD PHE 26 0.324 -4.360 1.977 210 HD2 PHE 26 1HD PHE 26 3.117 -1.124 2.450 211 HE1 PHE 26 2HE PHE 26 0.630 -4.274 -0.482 212 HE2 PHE 26 1HE PHE 26 3.337 -0.953 -0.017 213 HZ PHE 26 HZ PHE 26 2.115 -2.557 -1.484 214 H HIS 27 H HIS 27 2.227 -5.073 6.902 215 HA HIS 27 HA HIS 27 4.976 -4.121 7.195 216 HB2 HIS 27 1HB HIS 27 3.265 -3.938 8.978 217 HB3 HIS 27 2HB HIS 27 3.153 -5.701 9.043 218 HD1 HIS 27 1HD HIS 27 4.773 -6.900 10.647 219 HD2 HIS 27 2HD HIS 27 5.777 -2.888 9.803 220 HE1 HIS 27 1HE HIS 27 6.634 -6.278 12.258 221 H CYS 28 H CYS 28 3.387 -7.271 6.580 222 HA CYS 28 HA CYS 28 6.008 -8.638 7.019 223 HB2 CYS 28 1HB CYS 28 3.228 -9.757 7.430 224 HB3 CYS 28 2HB CYS 28 4.763 -10.572 7.735 225 HG CYS 28 HG CYS 28 3.474 -9.804 9.918 226 H LYS 29 H LYS 29 3.645 -7.932 4.602 227 HA LYS 29 HA LYS 29 5.451 -9.100 2.698 228 HB2 LYS 29 1HB LYS 29 3.552 -9.963 1.260 229 HB3 LYS 29 2HB LYS 29 3.904 -10.940 2.678 230 HG2 LYS 29 1HG LYS 29 1.864 -10.646 3.576 231 HG3 LYS 29 2HG LYS 29 1.873 -8.918 3.281 232 HD2 LYS 29 1HD LYS 29 0.022 -9.766 2.125 233 HD3 LYS 29 2HD LYS 29 1.226 -9.277 0.944 234 HE2 LYS 29 1HE LYS 29 0.154 -11.332 0.288 235 HE3 LYS 29 2HE LYS 29 1.874 -11.618 0.576 236 HZ1 LYS 29 3HZ LYS 29 -0.180 -12.132 2.644 237 HZ2 LYS 29 1HZ LYS 29 1.346 -12.645 2.690 238 HZ3 LYS 29 2HZ LYS 29 0.324 -13.316 1.594 239 H LYS 30 H LYS 30 4.945 -8.045 0.518 240 HA LYS 30 HA LYS 30 3.870 -5.330 1.038 241 HB2 LYS 30 1HB LYS 30 6.424 -6.019 0.597 242 HB3 LYS 30 2HB LYS 30 5.947 -5.883 -1.080 243 HG2 LYS 30 1HG LYS 30 5.289 -3.694 0.918 244 HG3 LYS 30 2HG LYS 30 6.935 -3.891 0.340 245 HD2 LYS 30 1HD LYS 30 5.926 -3.721 -2.054 246 HD3 LYS 30 2HD LYS 30 4.473 -3.146 -1.236 247 HE2 LYS 30 1HE LYS 30 5.635 -1.198 -1.802 248 HE3 LYS 30 2HE LYS 30 5.908 -1.402 -0.071 249 HZ1 LYS 30 3HZ LYS 30 7.789 -2.294 -2.161 250 HZ2 LYS 30 1HZ LYS 30 8.103 -2.231 -0.553 251 HZ3 LYS 30 2HZ LYS 30 7.879 -0.834 -1.438 252 H TYR 31 H TYR 31 2.332 -7.688 -0.097 253 HA TYR 31 HA TYR 31 1.186 -6.427 -2.389 254 HB2 TYR 31 1HB TYR 31 1.731 -8.188 -4.038 255 HB3 TYR 31 2HB TYR 31 3.077 -7.162 -3.622 256 HD1 TYR 31 2HD TYR 31 5.031 -8.085 -2.266 257 HD2 TYR 31 1HD TYR 31 1.742 -10.541 -3.596 258 HE1 TYR 31 2HE TYR 31 6.361 -10.131 -1.805 259 HE2 TYR 31 1HE TYR 31 3.085 -12.562 -3.227 260 HH TYR 31 HH TYR 31 6.405 -12.657 -2.499 261 H LEU 32 H LEU 32 -0.669 -6.657 -1.265 262 HA LEU 32 HA LEU 32 -1.838 -9.019 -0.247 263 HB2 LEU 32 1HB LEU 32 -2.843 -6.375 -1.241 264 HB3 LEU 32 2HB LEU 32 -4.000 -7.689 -1.172 265 HG LEU 32 HG LEU 32 -3.767 -7.952 1.182 266 HD11 LEU 32 1HD1 LEU 32 -1.456 -5.987 1.015 267 HD12 LEU 32 2HD1 LEU 32 -1.401 -7.705 1.512 268 HD13 LEU 32 3HD1 LEU 32 -2.236 -6.521 2.521 269 HD21 LEU 32 3HD2 LEU 32 -4.421 -5.722 1.969 270 HD22 LEU 32 1HD2 LEU 32 -5.188 -6.095 0.417 271 HD23 LEU 32 2HD2 LEU 32 -3.792 -4.985 0.479 272 H SER 33 H SER 33 -1.635 -10.789 -1.374 273 HA SER 33 HA SER 33 -3.026 -11.202 -3.914 274 HB2 SER 33 1HB SER 33 -0.074 -11.784 -3.404 275 HB3 SER 33 2HB SER 33 -1.013 -12.569 -4.677 276 HG SER 33 HG SER 33 -0.443 -10.992 -5.818 277 H LEU 34 H LEU 34 -2.779 -13.716 -4.272 278 HA LEU 34 HA LEU 34 -3.431 -15.675 -3.759 279 HB2 LEU 34 1HB LEU 34 -1.213 -15.781 -2.707 280 HB3 LEU 34 2HB LEU 34 -1.915 -15.400 -1.152 281 HG LEU 34 HG LEU 34 -1.328 -17.786 -1.561 282 HD11 LEU 34 1HD1 LEU 34 -4.297 -17.545 -0.991 283 HD12 LEU 34 2HD1 LEU 34 -3.020 -17.094 0.168 284 HD13 LEU 34 3HD1 LEU 34 -3.155 -18.765 -0.419 285 HD21 LEU 34 3HD2 LEU 34 -3.761 -17.891 -3.391 286 HD22 LEU 34 1HD2 LEU 34 -2.717 -19.231 -2.919 287 HD23 LEU 34 2HD2 LEU 34 -2.067 -17.934 -3.937 288 H THR 35 H THR 35 -3.774 -14.774 -0.374 289 HA THR 35 HA THR 35 -6.728 -15.069 -0.702 290 HB THR 35 HB THR 35 -5.750 -16.641 0.830 291 HG1 THR 35 1HG THR 35 -7.711 -15.735 1.505 292 HG21 THR 35 3HG2 THR 35 -4.772 -14.527 2.734 293 HG22 THR 35 1HG2 THR 35 -3.667 -15.148 1.474 294 HG23 THR 35 2HG2 THR 35 -4.378 -16.241 2.631 295 H GLU 36 H GLU 36 -4.091 -12.913 -0.232 296 HA GLU 36 HA GLU 36 -5.489 -11.335 1.810 297 HB2 GLU 36 1HB GLU 36 -2.850 -10.740 0.465 298 HB3 GLU 36 2HB GLU 36 -3.458 -10.010 1.957 299 HG2 GLU 36 1HG GLU 36 -3.482 -12.905 2.214 300 HG3 GLU 36 2HG GLU 36 -1.932 -12.401 1.612 301 H ARG 37 H ARG 37 -5.112 -11.233 -1.567 302 HA ARG 37 HA ARG 37 -5.864 -8.451 -1.984 303 HB2 ARG 37 1HB ARG 37 -4.834 -9.717 -3.868 304 HB3 ARG 37 2HB ARG 37 -6.050 -10.981 -3.715 305 HG2 ARG 37 1HG ARG 37 -7.790 -9.383 -4.469 306 HG3 ARG 37 2HG ARG 37 -6.522 -8.169 -4.754 307 HD2 ARG 37 1HD ARG 37 -5.700 -9.296 -6.617 308 HD3 ARG 37 2HD ARG 37 -6.242 -10.886 -6.037 309 HE ARG 37 HE ARG 37 -8.600 -10.043 -6.433 310 HH11 ARG 37 1HH1 ARG 37 -5.919 -9.026 -8.627 311 HH12 ARG 37 2HH1 ARG 37 -7.035 -8.616 -9.884 312 HH21 ARG 37 1HH2 ARG 37 -9.925 -9.617 -8.066 313 HH22 ARG 37 2HH2 ARG 37 -9.366 -9.133 -9.636 314 H SER 38 H SER 38 -7.644 -11.566 -1.709 315 HA SER 38 HA SER 38 -10.208 -10.344 -2.130 316 HB2 SER 38 1HB SER 38 -9.515 -13.079 -0.992 317 HB3 SER 38 2HB SER 38 -11.017 -12.572 -1.796 318 HG SER 38 HG SER 38 -9.879 -13.549 -3.378 319 H GLN 39 H GLN 39 -8.091 -10.885 0.647 320 HA GLN 39 HA GLN 39 -9.972 -11.355 2.645 321 HB2 GLN 39 1HB GLN 39 -7.180 -10.242 2.669 322 HB3 GLN 39 2HB GLN 39 -8.126 -10.279 4.150 323 HG2 GLN 39 1HG GLN 39 -7.933 -12.823 2.539 324 HG3 GLN 39 2HG GLN 39 -6.592 -12.289 3.538 325 HE21 GLN 39 1HE2 GLN 39 -6.613 -13.107 5.628 326 HE22 GLN 39 2HE2 GLN 39 -8.083 -13.495 6.499 327 H ILE 40 H ILE 40 -8.257 -8.284 1.953 328 HA ILE 40 HA ILE 40 -9.992 -6.787 3.679 329 HB ILE 40 HB ILE 40 -7.940 -6.082 1.561 330 HG12 ILE 40 1HG1 ILE 40 -6.809 -5.014 3.631 331 HG13 ILE 40 2HG1 ILE 40 -8.012 -5.862 4.603 332 HG21 ILE 40 1HG2 ILE 40 -9.383 -4.240 1.378 333 HG22 ILE 40 2HG2 ILE 40 -9.826 -4.265 3.084 334 HG23 ILE 40 3HG2 ILE 40 -8.236 -3.667 2.615 335 HD11 ILE 40 3HD1 ILE 40 -7.104 -7.999 3.952 336 HD12 ILE 40 1HD1 ILE 40 -6.126 -7.259 2.660 337 HD13 ILE 40 2HD1 ILE 40 -5.736 -6.962 4.370 338 H ALA 41 H ALA 41 -10.018 -7.476 0.199 339 HA ALA 41 HA ALA 41 -11.967 -5.556 -0.591 340 HB1 ALA 41 1HB ALA 41 -12.223 -6.962 -2.603 341 HB2 ALA 41 2HB ALA 41 -10.515 -6.717 -2.188 342 HB3 ALA 41 3HB ALA 41 -11.313 -8.266 -1.815 343 H HIS 42 H HIS 42 -12.333 -8.735 0.999 344 HA HIS 42 HA HIS 42 -15.281 -8.362 0.864 345 HB2 HIS 42 1HB HIS 42 -13.638 -10.908 0.936 346 HB3 HIS 42 2HB HIS 42 -15.391 -10.830 1.039 347 HD1 HIS 42 1HD HIS 42 -15.504 -8.469 -1.428 348 HD2 HIS 42 2HD HIS 42 -13.797 -12.331 -1.350 349 HE1 HIS 42 1HE HIS 42 -15.469 -9.301 -3.831 350 H ALA 43 H ALA 43 -13.120 -7.417 2.931 351 HA ALA 43 HA ALA 43 -14.766 -8.390 5.234 352 HB1 ALA 43 1HB ALA 43 -12.536 -9.396 5.335 353 HB2 ALA 43 2HB ALA 43 -11.800 -7.774 5.311 354 HB3 ALA 43 3HB ALA 43 -12.845 -8.292 6.665 355 H LEU 44 H LEU 44 -13.072 -5.526 3.788 356 HA LEU 44 HA LEU 44 -14.086 -3.982 6.144 357 HB2 LEU 44 1HB LEU 44 -12.041 -3.480 3.992 358 HB3 LEU 44 2HB LEU 44 -12.705 -2.121 4.904 359 HG LEU 44 HG LEU 44 -11.382 -4.492 6.276 360 HD11 LEU 44 1HD1 LEU 44 -9.478 -2.648 6.515 361 HD12 LEU 44 2HD1 LEU 44 -10.158 -2.023 5.005 362 HD13 LEU 44 3HD1 LEU 44 -9.540 -3.684 5.110 363 HD21 LEU 44 3HD2 LEU 44 -11.174 -2.937 8.137 364 HD22 LEU 44 1HD2 LEU 44 -12.866 -2.979 7.652 365 HD23 LEU 44 2HD2 LEU 44 -11.815 -1.612 7.169 366 H LYS 45 H LYS 45 -13.782 -2.537 2.996 367 HA LYS 45 HA LYS 45 -16.546 -2.282 2.198 368 HB2 LYS 45 1HB LYS 45 -15.006 -0.130 3.668 369 HB3 LYS 45 2HB LYS 45 -16.287 0.313 2.534 370 HG2 LYS 45 1HG LYS 45 -17.821 0.017 4.064 371 HG3 LYS 45 2HG LYS 45 -17.380 -1.676 4.099 372 HD2 LYS 45 1HD LYS 45 -17.231 -1.059 6.319 373 HD3 LYS 45 2HD LYS 45 -15.547 -1.015 5.823 374 HE2 LYS 45 1HE LYS 45 -15.732 1.459 5.521 375 HE3 LYS 45 2HE LYS 45 -17.422 1.401 6.039 376 HZ1 LYS 45 3HZ LYS 45 -16.684 0.679 8.231 377 HZ2 LYS 45 1HZ LYS 45 -15.829 2.009 7.798 378 HZ3 LYS 45 2HZ LYS 45 -15.141 0.548 7.719 379 H LEU 46 H LEU 46 -14.043 -3.200 0.948 380 HA LEU 46 HA LEU 46 -13.464 -0.995 -0.994 381 HB2 LEU 46 1HB LEU 46 -11.670 -3.302 -0.113 382 HB3 LEU 46 2HB LEU 46 -11.347 -2.211 -1.446 383 HG LEU 46 HG LEU 46 -11.456 -0.259 0.228 384 HD11 LEU 46 1HD1 LEU 46 -11.330 -2.645 2.080 385 HD12 LEU 46 2HD1 LEU 46 -12.363 -1.196 2.213 386 HD13 LEU 46 3HD1 LEU 46 -10.632 -1.094 2.552 387 HD21 LEU 46 3HD2 LEU 46 -9.110 -0.539 0.807 388 HD22 LEU 46 1HD2 LEU 46 -9.367 -1.160 -0.825 389 HD23 LEU 46 2HD2 LEU 46 -9.193 -2.282 0.513 390 H SER 47 H SER 47 -12.626 -2.195 -3.173 391 HA SER 47 HA SER 47 -14.108 -4.655 -3.714 392 HB2 SER 47 1HB SER 47 -15.594 -2.623 -4.261 393 HB3 SER 47 2HB SER 47 -14.408 -2.216 -5.518 394 HG SER 47 HG SER 47 -16.190 -3.535 -6.260 395 H GLU 48 H GLU 48 -13.226 -5.707 -5.618 396 HA GLU 48 HA GLU 48 -10.423 -5.687 -5.541 397 HB2 GLU 48 1HB GLU 48 -12.350 -6.927 -7.543 398 HB3 GLU 48 2HB GLU 48 -10.617 -7.273 -7.476 399 HG2 GLU 48 1HG GLU 48 -10.852 -8.148 -5.174 400 HG3 GLU 48 2HG GLU 48 -12.580 -7.769 -5.191 401 H VAL 49 H VAL 49 -12.620 -4.407 -8.047 402 HA VAL 49 HA VAL 49 -10.840 -3.415 -9.915 403 HB VAL 49 HB VAL 49 -13.263 -3.503 -10.123 404 HG11 VAL 49 1HG1 VAL 49 -14.711 -1.778 -9.233 405 HG12 VAL 49 2HG1 VAL 49 -13.895 -2.637 -7.919 406 HG13 VAL 49 3HG1 VAL 49 -13.334 -1.015 -8.408 407 HG21 VAL 49 3HG2 VAL 49 -11.932 -2.109 -11.686 408 HG22 VAL 49 1HG2 VAL 49 -13.561 -1.466 -11.450 409 HG23 VAL 49 2HG2 VAL 49 -12.186 -0.700 -10.635 410 H GLN 50 H GLN 50 -11.533 -2.016 -6.761 411 HA GLN 50 HA GLN 50 -10.007 0.392 -7.440 412 HB2 GLN 50 1HB GLN 50 -12.077 -0.269 -5.615 413 HB3 GLN 50 2HB GLN 50 -10.685 0.099 -4.623 414 HG2 GLN 50 1HG GLN 50 -11.887 1.834 -6.808 415 HG3 GLN 50 2HG GLN 50 -12.030 2.112 -5.067 416 HE21 GLN 50 1HE2 GLN 50 -9.926 2.512 -3.854 417 HE22 GLN 50 2HE2 GLN 50 -8.544 3.039 -4.782 418 H VAL 51 H VAL 51 -9.613 -2.535 -5.432 419 HA VAL 51 HA VAL 51 -7.156 -1.760 -4.196 420 HB VAL 51 HB VAL 51 -8.466 -4.433 -4.704 421 HG11 VAL 51 1HG1 VAL 51 -6.897 -5.333 -2.887 422 HG12 VAL 51 2HG1 VAL 51 -6.130 -4.999 -4.445 423 HG13 VAL 51 3HG1 VAL 51 -5.931 -3.859 -3.103 424 HG21 VAL 51 3HG2 VAL 51 -9.052 -4.329 -2.337 425 HG22 VAL 51 1HG2 VAL 51 -8.128 -2.822 -2.140 426 HG23 VAL 51 2HG2 VAL 51 -9.606 -2.854 -3.127 427 H LYS 52 H LYS 52 -7.758 -3.409 -7.390 428 HA LYS 52 HA LYS 52 -5.140 -4.074 -7.935 429 HB2 LYS 52 1HB LYS 52 -5.789 -4.296 -10.153 430 HB3 LYS 52 2HB LYS 52 -7.280 -4.549 -9.252 431 HG2 LYS 52 1HG LYS 52 -7.696 -2.059 -9.617 432 HG3 LYS 52 2HG LYS 52 -6.338 -2.090 -10.749 433 HD2 LYS 52 1HD LYS 52 -7.495 -3.630 -12.212 434 HD3 LYS 52 2HD LYS 52 -8.855 -3.764 -11.069 435 HE2 LYS 52 1HE LYS 52 -9.399 -1.409 -11.330 436 HE3 LYS 52 2HE LYS 52 -7.917 -1.101 -12.238 437 HZ1 LYS 52 3HZ LYS 52 -9.914 -1.252 -13.571 438 HZ2 LYS 52 1HZ LYS 52 -10.098 -2.846 -13.159 439 HZ3 LYS 52 2HZ LYS 52 -8.778 -2.344 -14.035 440 H ILE 53 H ILE 53 -6.599 -0.855 -7.991 441 HA ILE 53 HA ILE 53 -4.327 0.417 -9.334 442 HB ILE 53 HB ILE 53 -6.796 1.504 -7.962 443 HG12 ILE 53 1HG1 ILE 53 -6.497 1.771 -10.935 444 HG13 ILE 53 2HG1 ILE 53 -6.789 0.134 -10.366 445 HG21 ILE 53 1HG2 ILE 53 -4.620 2.905 -9.539 446 HG22 ILE 53 2HG2 ILE 53 -6.260 3.603 -9.364 447 HG23 ILE 53 3HG2 ILE 53 -5.286 3.279 -7.933 448 HD11 ILE 53 3HD1 ILE 53 -8.916 1.116 -10.841 449 HD12 ILE 53 1HD1 ILE 53 -8.761 0.961 -9.083 450 HD13 ILE 53 2HD1 ILE 53 -8.530 2.547 -9.835 451 H TRP 54 H TRP 54 -5.315 -0.397 -6.019 452 HA TRP 54 HA TRP 54 -3.790 1.632 -4.692 453 HB2 TRP 54 1HB TRP 54 -5.580 0.107 -3.708 454 HB3 TRP 54 2HB TRP 54 -4.366 -1.163 -3.675 455 HD1 TRP 54 HD TRP 54 -4.892 2.403 -2.287 456 HE1 TRP 54 1HE TRP 54 -3.709 2.575 -0.003 457 HE3 TRP 54 3HE TRP 54 -2.675 -2.199 -2.175 458 HZ2 TRP 54 2HZ TRP 54 -1.713 1.060 1.459 459 HZ3 TRP 54 3HZ TRP 54 -1.363 -2.897 -0.158 460 HH2 TRP 54 HH TRP 54 -0.813 -1.234 1.614 461 H PHE 55 H PHE 55 -3.001 -1.545 -6.041 462 HA PHE 55 HA PHE 55 -0.291 -1.640 -5.104 463 HB2 PHE 55 1HB PHE 55 -1.226 -2.776 -7.757 464 HB3 PHE 55 2HB PHE 55 0.099 -3.339 -6.761 465 HD1 PHE 55 2HD PHE 55 -0.975 -3.794 -4.098 466 HD2 PHE 55 1HD PHE 55 -2.917 -4.349 -7.917 467 HE1 PHE 55 2HE PHE 55 -2.488 -5.468 -3.115 468 HE2 PHE 55 1HE PHE 55 -4.493 -5.921 -6.907 469 HZ PHE 55 HZ PHE 55 -4.236 -6.564 -4.490 470 H GLN 56 H GLN 56 -1.773 0.418 -7.551 471 HA GLN 56 HA GLN 56 0.486 0.757 -9.274 472 HB2 GLN 56 1HB GLN 56 -2.021 1.205 -9.687 473 HB3 GLN 56 2HB GLN 56 -1.755 2.759 -8.967 474 HG2 GLN 56 1HG GLN 56 -1.373 3.363 -11.075 475 HG3 GLN 56 2HG GLN 56 0.294 2.849 -10.746 476 HE21 GLN 56 1HE2 GLN 56 -2.822 1.964 -12.137 477 HE22 GLN 56 2HE2 GLN 56 -2.351 0.395 -12.704 478 H ASN 57 H ASN 57 0.358 1.433 -6.100 479 HA ASN 57 HA ASN 57 2.045 3.902 -6.289 480 HB2 ASN 57 1HB ASN 57 0.277 2.889 -4.014 481 HB3 ASN 57 2HB ASN 57 1.405 4.240 -3.894 482 HD21 ASN 57 1HD2 ASN 57 -1.566 3.144 -5.613 483 HD22 ASN 57 2HD2 ASN 57 -2.022 4.706 -6.193 484 H ARG 58 H ARG 58 2.118 0.504 -5.515 485 HA ARG 58 HA ARG 58 3.797 0.828 -3.184 486 HB2 ARG 58 1HB ARG 58 3.689 -1.518 -2.969 487 HB3 ARG 58 2HB ARG 58 2.116 -0.853 -3.264 488 HG2 ARG 58 1HG ARG 58 1.916 -1.951 -5.289 489 HG3 ARG 58 2HG ARG 58 3.657 -2.007 -5.588 490 HD2 ARG 58 1HD ARG 58 3.860 -3.809 -3.897 491 HD3 ARG 58 2HD ARG 58 2.135 -3.668 -3.526 492 HE ARG 58 HE ARG 58 1.616 -4.916 -5.360 493 HH11 ARG 58 1HH1 ARG 58 5.105 -4.180 -5.621 494 HH12 ARG 58 2HH1 ARG 58 5.158 -4.565 -7.321 495 HH21 ARG 58 1HH2 ARG 58 1.867 -5.785 -7.511 496 HH22 ARG 58 2HH2 ARG 58 3.397 -5.636 -8.311 497 H ARG 59 H ARG 59 4.882 1.531 -5.903 498 HA ARG 59 HA ARG 59 7.419 -0.055 -5.816 499 HB2 ARG 59 1HB ARG 59 6.001 1.281 -8.129 500 HB3 ARG 59 2HB ARG 59 7.718 0.848 -8.187 501 HG2 ARG 59 1HG ARG 59 7.130 -1.487 -7.563 502 HG3 ARG 59 2HG ARG 59 5.412 -1.083 -7.656 503 HD2 ARG 59 1HD ARG 59 5.399 -1.001 -9.956 504 HD3 ARG 59 2HD ARG 59 7.041 -0.382 -10.070 505 HE ARG 59 HE ARG 59 6.205 -3.196 -9.911 506 HH11 ARG 59 1HH1 ARG 59 9.007 -0.948 -9.870 507 HH12 ARG 59 2HH1 ARG 59 10.126 -2.185 -9.436 508 HH21 ARG 59 1HH2 ARG 59 7.791 -4.843 -10.034 509 HH22 ARG 59 2HH2 ARG 59 9.463 -4.456 -9.833 510 H ALA 60 H ALA 60 6.454 2.739 -4.420 511 HA ALA 60 HA ALA 60 8.562 4.430 -5.619 512 HB1 ALA 60 1HB ALA 60 6.305 5.388 -5.415 513 HB2 ALA 60 2HB ALA 60 6.396 5.218 -3.645 514 HB3 ALA 60 3HB ALA 60 7.518 6.287 -4.496 515 H LYS 61 H LYS 61 8.221 2.319 -2.916 516 HA LYS 61 HA LYS 61 9.399 3.815 -0.863 517 HB2 LYS 61 1HB LYS 61 8.254 1.668 -0.583 518 HB3 LYS 61 2HB LYS 61 9.606 0.857 -1.376 519 HG2 LYS 61 1HG LYS 61 11.116 1.806 0.474 520 HG3 LYS 61 2HG LYS 61 9.661 2.491 1.212 521 HD2 LYS 61 1HD LYS 61 8.773 0.056 1.308 522 HD3 LYS 61 2HD LYS 61 10.421 -0.409 0.802 523 HE2 LYS 61 1HE LYS 61 11.074 1.222 2.857 524 HE3 LYS 61 2HE LYS 61 9.426 0.830 3.382 525 HZ1 LYS 61 3HZ LYS 61 11.632 -1.050 2.890 526 HZ2 LYS 61 1HZ LYS 61 10.076 -1.518 3.261 527 HZ3 LYS 61 2HZ LYS 61 10.968 -0.666 4.351 528 H TRP 62 H TRP 62 11.130 1.706 -3.268 529 HA TRP 62 HA TRP 62 13.735 2.518 -2.233 530 HB2 TRP 62 1HB TRP 62 13.264 1.329 -4.942 531 HB3 TRP 62 2HB TRP 62 14.610 1.086 -3.835 532 HD1 TRP 62 HD TRP 62 14.072 -0.555 -1.669 533 HE1 TRP 62 1HE TRP 62 12.493 -2.516 -1.422 534 HE3 TRP 62 3HE TRP 62 11.047 0.403 -5.678 535 HZ2 TRP 62 2HZ TRP 62 10.117 -3.546 -2.808 536 HZ3 TRP 62 3HZ TRP 62 9.255 -1.115 -6.288 537 HH2 TRP 62 HH TRP 62 8.724 -3.113 -4.845 538 H LYS 63 H LYS 63 11.483 4.278 -4.100 539 HA LYS 63 HA LYS 63 13.577 5.817 -5.538 540 HB2 LYS 63 1HB LYS 63 10.568 5.449 -5.744 541 HB3 LYS 63 2HB LYS 63 11.226 7.023 -6.113 542 HG2 LYS 63 1HG LYS 63 11.178 5.946 -8.172 543 HG3 LYS 63 2HG LYS 63 12.862 5.910 -7.676 544 HD2 LYS 63 1HD LYS 63 12.169 3.449 -6.788 545 HD3 LYS 63 2HD LYS 63 10.851 3.654 -7.925 546 HE2 LYS 63 1HE LYS 63 13.826 3.419 -8.410 547 HE3 LYS 63 2HE LYS 63 12.499 2.536 -9.156 548 HZ1 LYS 63 3HZ LYS 63 11.954 4.767 -10.264 549 HZ2 LYS 63 1HZ LYS 63 13.296 3.962 -10.774 550 HZ3 LYS 63 2HZ LYS 63 13.444 5.251 -9.787 551 H ARG 64 H ARG 64 10.956 6.344 -2.985 552 HA ARG 64 HA ARG 64 11.972 8.902 -2.290 553 HB2 ARG 64 1HB ARG 64 10.477 8.915 -0.532 554 HB3 ARG 64 2HB ARG 64 9.698 7.928 -1.780 555 HG2 ARG 64 1HG ARG 64 10.990 6.044 -0.633 556 HG3 ARG 64 2HG ARG 64 11.011 7.062 0.803 557 HD2 ARG 64 1HD ARG 64 8.492 6.174 -0.695 558 HD3 ARG 64 2HD ARG 64 9.168 5.297 0.674 559 HE ARG 64 HE ARG 64 7.520 7.623 0.791 560 HH11 ARG 64 1HH1 ARG 64 10.233 6.146 2.515 561 HH12 ARG 64 2HH1 ARG 64 9.772 6.786 4.045 562 HH21 ARG 64 1HH2 ARG 64 6.736 8.147 2.764 563 HH22 ARG 64 2HH2 ARG 64 7.580 7.841 4.243 564 H ILE 65 H ILE 65 13.505 6.003 -1.933 565 HA ILE 65 HA ILE 65 15.328 6.917 0.190 566 HB ILE 65 HB ILE 65 14.350 4.112 -0.495 567 HG12 ILE 65 1HG1 ILE 65 13.847 6.040 1.793 568 HG13 ILE 65 2HG1 ILE 65 12.673 5.386 0.694 569 HG21 ILE 65 1HG2 ILE 65 16.581 3.882 0.109 570 HG22 ILE 65 2HG2 ILE 65 16.483 5.074 1.416 571 HG23 ILE 65 3HG2 ILE 65 15.716 3.472 1.576 572 HD11 ILE 65 3HD1 ILE 65 13.043 3.095 1.627 573 HD12 ILE 65 1HD1 ILE 65 14.007 3.862 2.921 574 HD13 ILE 65 2HD1 ILE 65 12.299 4.275 2.726 575 H LYS 66 H LYS 66 15.049 6.635 -3.003 576 HA LYS 66 HA LYS 66 17.885 7.068 -3.278 577 HB2 LYS 66 1HB LYS 66 17.498 4.583 -3.890 578 HB3 LYS 66 2HB LYS 66 16.667 5.170 -5.315 579 HG2 LYS 66 1HG LYS 66 19.321 6.457 -4.846 580 HG3 LYS 66 2HG LYS 66 19.405 4.746 -5.138 581 HD2 LYS 66 1HD LYS 66 17.929 6.585 -7.047 582 HD3 LYS 66 2HD LYS 66 19.676 6.285 -7.136 583 HE2 LYS 66 1HE LYS 66 19.061 3.767 -7.129 584 HE3 LYS 66 2HE LYS 66 17.413 4.287 -7.469 585 HZ1 LYS 66 3HZ LYS 66 18.352 5.436 -9.472 586 HZ2 LYS 66 1HZ LYS 66 18.512 3.788 -9.486 587 HZ3 LYS 66 2HZ LYS 66 19.801 4.720 -9.137 588 H ALA 67 H ALA 67 16.654 9.064 -3.110 589 HA ALA 67 HA ALA 67 16.530 10.222 -5.805 590 HB1 ALA 67 1HB ALA 67 14.591 11.656 -5.193 591 HB2 ALA 67 2HB ALA 67 14.204 9.943 -5.345 592 HB3 ALA 67 3HB ALA 67 14.355 10.683 -3.721 593 H GLY 68 H GLY 68 16.310 12.811 -5.303 594 HA2 GLY 68 1HA GLY 68 18.514 13.521 -3.471 595 HA3 GLY 68 2HA GLY 68 17.708 14.559 -4.673 596 H ASN 69 H ASN 69 17.622 13.371 -1.404 597 HA ASN 69 HA ASN 69 15.552 15.294 -0.631 598 HB2 ASN 69 1HB ASN 69 14.166 13.669 0.537 599 HB3 ASN 69 2HB ASN 69 14.075 13.475 -1.216 600 HD21 ASN 69 1HD2 ASN 69 15.258 12.014 1.780 601 HD22 ASN 69 2HD2 ASN 69 15.539 10.395 1.121 602 H VAL 70 H VAL 70 18.249 15.352 -0.024 603 HA VAL 70 HA VAL 70 17.985 15.207 2.833 604 HB VAL 70 HB VAL 70 20.377 14.496 3.146 605 HG11 VAL 70 1HG1 VAL 70 18.638 12.386 1.826 606 HG12 VAL 70 2HG1 VAL 70 19.991 12.121 2.947 607 HG13 VAL 70 3HG1 VAL 70 18.514 12.936 3.521 608 HG21 VAL 70 3HG2 VAL 70 20.230 13.509 0.263 609 HG22 VAL 70 1HG2 VAL 70 21.198 14.892 0.813 610 HG23 VAL 70 2HG2 VAL 70 21.557 13.265 1.408 611 H SER 71 H SER 71 19.885 16.588 3.764 612 HA SER 71 HA SER 71 20.188 18.755 4.223 613 HB2 SER 71 1HB SER 71 20.659 19.167 1.250 614 HB3 SER 71 2HB SER 71 20.952 20.356 2.527 615 HG SER 71 HG SER 71 22.478 18.961 3.431 Start of MODEL 9 1 H1 SER 1 H SER 1 -7.703 12.120 8.489 2 HA SER 1 HA SER 1 -7.285 13.596 10.365 3 HB2 SER 1 1HB SER 1 -8.958 12.361 11.829 4 HB3 SER 1 2HB SER 1 -7.680 11.166 12.155 5 HG SER 1 HG SER 1 -7.735 12.788 13.753 6 H ALA 2 H ALA 2 -5.417 12.308 12.279 7 HA ALA 2 HA ALA 2 -3.236 11.814 12.420 8 HB1 ALA 2 1HB ALA 2 -3.721 10.023 10.027 9 HB2 ALA 2 2HB ALA 2 -2.313 9.990 11.096 10 HB3 ALA 2 3HB ALA 2 -3.912 9.594 11.739 11 HA PRO 3 HA PRO 3 -1.939 14.931 9.203 12 HB2 PRO 3 1HB PRO 3 -1.353 17.002 10.868 13 HB3 PRO 3 2HB PRO 3 -3.034 16.645 10.317 14 HG2 PRO 3 1HG PRO 3 -1.688 15.795 12.925 15 HG3 PRO 3 2HG PRO 3 -3.265 16.643 12.717 16 HD2 PRO 3 1HD PRO 3 -3.127 13.940 12.981 17 HD3 PRO 3 2HD PRO 3 -4.305 14.701 11.900 18 H GLY 4 H GLY 4 0.340 16.215 9.386 19 HA2 GLY 4 1HA GLY 4 2.410 15.391 11.030 20 HA3 GLY 4 2HA GLY 4 2.316 14.206 9.714 21 H GLY 5 H GLY 5 4.537 15.233 9.237 22 HA2 GLY 5 1HA GLY 5 4.312 17.821 7.792 23 HA3 GLY 5 2HA GLY 5 5.768 17.099 8.434 24 H LYS 6 H LYS 6 4.247 14.504 6.905 25 HA LYS 6 HA LYS 6 6.028 14.885 4.574 26 HB2 LYS 6 1HB LYS 6 5.481 12.584 3.978 27 HB3 LYS 6 2HB LYS 6 6.256 12.760 5.532 28 HG2 LYS 6 1HG LYS 6 3.362 12.711 5.886 29 HG3 LYS 6 2HG LYS 6 3.844 11.340 4.898 30 HD2 LYS 6 1HD LYS 6 5.291 11.977 7.495 31 HD3 LYS 6 2HD LYS 6 3.738 11.180 7.515 32 HE2 LYS 6 1HE LYS 6 5.482 9.525 7.665 33 HE3 LYS 6 2HE LYS 6 4.577 9.315 6.156 34 HZ1 LYS 6 3HZ LYS 6 7.193 10.682 6.347 35 HZ2 LYS 6 1HZ LYS 6 6.404 10.258 4.954 36 HZ3 LYS 6 2HZ LYS 6 7.007 9.118 5.952 37 H SER 7 H SER 7 5.144 16.321 3.110 38 HA SER 7 HA SER 7 2.417 16.608 2.505 39 HB2 SER 7 1HB SER 7 4.854 16.977 0.708 40 HB3 SER 7 2HB SER 7 3.266 17.738 0.489 41 HG SER 7 HG SER 7 4.735 19.133 1.590 42 H ARG 8 H ARG 8 1.103 14.949 1.879 43 HA ARG 8 HA ARG 8 1.960 13.169 -0.333 44 HB2 ARG 8 1HB ARG 8 2.504 12.173 1.981 45 HB3 ARG 8 2HB ARG 8 0.776 12.009 2.216 46 HG2 ARG 8 1HG ARG 8 2.337 10.751 -0.095 47 HG3 ARG 8 2HG ARG 8 2.042 9.973 1.442 48 HD2 ARG 8 1HD ARG 8 0.150 9.114 0.685 49 HD3 ARG 8 2HD ARG 8 -0.541 10.722 0.622 50 HE ARG 8 HE ARG 8 -0.434 10.680 -1.659 51 HH11 ARG 8 1HH1 ARG 8 1.477 7.879 -0.475 52 HH12 ARG 8 2HH1 ARG 8 1.870 7.372 -2.095 53 HH21 ARG 8 1HH2 ARG 8 0.199 9.926 -3.789 54 HH22 ARG 8 2HH2 ARG 8 0.779 8.302 -3.907 55 H ARG 9 H ARG 9 0.481 13.856 -1.733 56 HA ARG 9 HA ARG 9 -2.167 14.577 -1.313 57 HB2 ARG 9 1HB ARG 9 -0.407 14.522 -3.410 58 HB3 ARG 9 2HB ARG 9 -1.474 13.235 -3.923 59 HG2 ARG 9 1HG ARG 9 -2.299 16.091 -3.213 60 HG3 ARG 9 2HG ARG 9 -1.948 15.480 -4.822 61 HD2 ARG 9 1HD ARG 9 -4.124 15.133 -5.020 62 HD3 ARG 9 2HD ARG 9 -3.842 13.676 -4.055 63 HE ARG 9 HE ARG 9 -4.273 15.895 -2.305 64 HH11 ARG 9 1HH1 ARG 9 -6.029 13.810 -4.570 65 HH12 ARG 9 2HH1 ARG 9 -7.554 13.977 -3.791 66 HH21 ARG 9 1HH2 ARG 9 -6.395 16.465 -1.534 67 HH22 ARG 9 2HH2 ARG 9 -7.744 15.451 -1.918 68 H ARG 10 H ARG 10 -3.758 13.300 -0.323 69 HA ARG 10 HA ARG 10 -3.794 10.400 -0.725 70 HB2 ARG 10 1HB ARG 10 -5.558 12.347 0.801 71 HB3 ARG 10 2HB ARG 10 -6.127 10.746 0.376 72 HG2 ARG 10 1HG ARG 10 -3.694 10.102 1.494 73 HG3 ARG 10 2HG ARG 10 -4.183 11.487 2.469 74 HD2 ARG 10 1HD ARG 10 -6.416 10.442 2.814 75 HD3 ARG 10 2HD ARG 10 -5.933 9.052 1.850 76 HE ARG 10 HE ARG 10 -5.651 9.398 4.582 77 HH11 ARG 10 1HH1 ARG 10 -3.537 8.228 1.937 78 HH12 ARG 10 2HH1 ARG 10 -2.800 7.006 2.924 79 HH21 ARG 10 1HH2 ARG 10 -4.486 7.884 5.898 80 HH22 ARG 10 2HH2 ARG 10 -3.242 6.919 5.196 81 H ARG 11 H ARG 11 -4.024 10.065 -2.892 82 HA ARG 11 HA ARG 11 -6.411 11.181 -4.277 83 HB2 ARG 11 1HB ARG 11 -5.297 11.108 -6.310 84 HB3 ARG 11 2HB ARG 11 -4.207 11.801 -5.108 85 HG2 ARG 11 1HG ARG 11 -3.367 9.359 -4.825 86 HG3 ARG 11 2HG ARG 11 -4.147 9.078 -6.384 87 HD2 ARG 11 1HD ARG 11 -1.950 11.128 -5.794 88 HD3 ARG 11 2HD ARG 11 -1.702 9.569 -6.584 89 HE ARG 11 HE ARG 11 -3.612 10.919 -8.129 90 HH11 ARG 11 1HH1 ARG 11 -0.172 11.238 -7.242 91 HH12 ARG 11 2HH1 ARG 11 0.277 11.908 -8.785 92 HH21 ARG 11 1HH2 ARG 11 -2.955 11.895 -10.151 93 HH22 ARG 11 2HH2 ARG 11 -1.355 12.466 -10.366 94 H THR 12 H THR 12 -6.213 8.652 -2.537 95 HA THR 12 HA THR 12 -7.160 6.671 -4.509 96 HB THR 12 HB THR 12 -6.828 6.285 -1.532 97 HG1 THR 12 1HG THR 12 -4.864 6.899 -2.386 98 HG21 THR 12 3HG2 THR 12 -7.995 4.379 -2.413 99 HG22 THR 12 1HG2 THR 12 -6.319 3.916 -2.209 100 HG23 THR 12 2HG2 THR 12 -6.923 4.307 -3.828 101 H ALA 13 H ALA 13 -9.118 5.321 -3.570 102 HA ALA 13 HA ALA 13 -11.277 7.158 -2.695 103 HB1 ALA 13 1HB ALA 13 -11.356 4.805 -4.596 104 HB2 ALA 13 2HB ALA 13 -12.758 5.751 -4.067 105 HB3 ALA 13 3HB ALA 13 -11.484 6.533 -5.017 106 H PHE 14 H PHE 14 -9.762 6.013 -0.675 107 HA PHE 14 HA PHE 14 -11.707 4.141 0.574 108 HB2 PHE 14 1HB PHE 14 -8.682 4.102 0.865 109 HB3 PHE 14 2HB PHE 14 -9.789 3.025 1.705 110 HD1 PHE 14 2HD PHE 14 -11.636 2.199 -0.570 111 HD2 PHE 14 1HD PHE 14 -7.350 2.628 -0.355 112 HE1 PHE 14 2HE PHE 14 -11.394 0.652 -2.462 113 HE2 PHE 14 1HE PHE 14 -7.102 1.028 -2.211 114 HZ PHE 14 HZ PHE 14 -9.124 0.040 -3.294 115 H THR 15 H THR 15 -10.516 4.195 3.141 116 HA THR 15 HA THR 15 -10.561 7.045 3.905 117 HB THR 15 HB THR 15 -12.143 6.595 5.640 118 HG1 THR 15 1HG THR 15 -13.048 4.390 5.768 119 HG21 THR 15 3HG2 THR 15 -14.154 6.040 4.479 120 HG22 THR 15 1HG2 THR 15 -13.279 5.141 3.214 121 HG23 THR 15 2HG2 THR 15 -13.120 6.909 3.342 122 H SER 16 H SER 16 -9.679 7.261 6.215 123 HA SER 16 HA SER 16 -7.290 5.696 6.555 124 HB2 SER 16 1HB SER 16 -7.105 6.929 8.655 125 HB3 SER 16 2HB SER 16 -7.350 7.966 7.265 126 HG SER 16 HG SER 16 -9.706 7.846 8.012 127 H GLU 17 H GLU 17 -10.561 5.025 7.281 128 HA GLU 17 HA GLU 17 -9.991 3.358 9.635 129 HB2 GLU 17 1HB GLU 17 -11.997 5.211 8.938 130 HB3 GLU 17 2HB GLU 17 -12.793 3.635 8.641 131 HG2 GLU 17 1HG GLU 17 -12.082 2.944 10.959 132 HG3 GLU 17 2HG GLU 17 -11.376 4.562 11.192 133 H GLN 18 H GLN 18 -10.135 3.041 6.324 134 HA GLN 18 HA GLN 18 -10.743 0.100 6.350 135 HB2 GLN 18 1HB GLN 18 -10.806 2.301 4.257 136 HB3 GLN 18 2HB GLN 18 -10.671 0.609 3.782 137 HG2 GLN 18 1HG GLN 18 -12.769 0.038 4.762 138 HG3 GLN 18 2HG GLN 18 -12.849 1.528 5.691 139 HE21 GLN 18 1HE2 GLN 18 -12.600 0.558 2.174 140 HE22 GLN 18 2HE2 GLN 18 -13.759 1.753 1.648 141 H LEU 19 H LEU 19 -8.369 2.661 5.685 142 HA LEU 19 HA LEU 19 -6.245 0.957 4.779 143 HB2 LEU 19 1HB LEU 19 -6.580 3.784 5.695 144 HB3 LEU 19 2HB LEU 19 -4.970 3.122 5.796 145 HG LEU 19 HG LEU 19 -4.788 2.700 3.484 146 HD11 LEU 19 1HD1 LEU 19 -7.691 3.519 3.082 147 HD12 LEU 19 2HD1 LEU 19 -7.069 1.875 2.914 148 HD13 LEU 19 3HD1 LEU 19 -6.513 3.131 1.810 149 HD21 LEU 19 3HD2 LEU 19 -6.239 5.354 3.891 150 HD22 LEU 19 1HD2 LEU 19 -5.079 4.967 2.586 151 HD23 LEU 19 2HD2 LEU 19 -4.521 5.031 4.268 152 H LEU 20 H LEU 20 -7.716 0.829 7.803 153 HA LEU 20 HA LEU 20 -5.391 1.041 9.468 154 HB2 LEU 20 1HB LEU 20 -8.211 0.732 9.852 155 HB3 LEU 20 2HB LEU 20 -7.511 -0.715 10.550 156 HG LEU 20 HG LEU 20 -6.800 2.154 11.261 157 HD11 LEU 20 1HD1 LEU 20 -9.026 1.374 12.060 158 HD12 LEU 20 2HD1 LEU 20 -7.905 1.594 13.411 159 HD13 LEU 20 3HD1 LEU 20 -8.273 -0.038 12.813 160 HD21 LEU 20 3HD2 LEU 20 -4.798 0.762 11.609 161 HD22 LEU 20 1HD2 LEU 20 -5.770 -0.463 12.451 162 HD23 LEU 20 2HD2 LEU 20 -5.522 1.138 13.169 163 H GLU 21 H GLU 21 -7.131 -1.699 8.028 164 HA GLU 21 HA GLU 21 -5.006 -3.510 9.062 165 HB2 GLU 21 1HB GLU 21 -6.610 -5.290 8.705 166 HB3 GLU 21 2HB GLU 21 -7.222 -4.060 9.793 167 HG2 GLU 21 1HG GLU 21 -8.731 -3.192 8.218 168 HG3 GLU 21 2HG GLU 21 -7.929 -3.997 6.864 169 H LEU 22 H LEU 22 -6.384 -2.202 6.099 170 HA LEU 22 HA LEU 22 -5.156 -3.895 4.196 171 HB2 LEU 22 1HB LEU 22 -6.880 -2.075 3.786 172 HB3 LEU 22 2HB LEU 22 -5.620 -0.894 4.102 173 HG LEU 22 HG LEU 22 -4.297 -1.753 2.183 174 HD11 LEU 22 1HD1 LEU 22 -6.831 -3.267 1.417 175 HD12 LEU 22 2HD1 LEU 22 -5.299 -4.016 1.932 176 HD13 LEU 22 3HD1 LEU 22 -5.373 -3.065 0.440 177 HD21 LEU 22 3HD2 LEU 22 -5.791 -0.652 0.499 178 HD22 LEU 22 1HD2 LEU 22 -5.622 0.247 2.017 179 HD23 LEU 22 2HD2 LEU 22 -7.099 -0.686 1.710 180 H GLU 23 H GLU 23 -3.915 -0.930 5.775 181 HA GLU 23 HA GLU 23 -1.401 -0.976 4.352 182 HB2 GLU 23 1HB GLU 23 -2.273 0.377 6.945 183 HB3 GLU 23 2HB GLU 23 -0.627 0.497 6.322 184 HG2 GLU 23 1HG GLU 23 -1.653 1.272 4.096 185 HG3 GLU 23 2HG GLU 23 -3.130 1.564 4.980 186 H LYS 24 H LYS 24 -2.579 -2.645 7.136 187 HA LYS 24 HA LYS 24 -0.081 -3.238 8.402 188 HB2 LYS 24 1HB LYS 24 -2.677 -3.309 9.134 189 HB3 LYS 24 2HB LYS 24 -2.496 -5.010 8.682 190 HG2 LYS 24 1HG LYS 24 -0.605 -5.191 10.295 191 HG3 LYS 24 2HG LYS 24 -0.830 -3.481 10.716 192 HD2 LYS 24 1HD LYS 24 -3.277 -4.068 11.252 193 HD3 LYS 24 2HD LYS 24 -2.805 -5.770 11.128 194 HE2 LYS 24 1HE LYS 24 -1.163 -5.437 12.961 195 HE3 LYS 24 2HE LYS 24 -1.545 -3.712 12.988 196 HZ1 LYS 24 3HZ LYS 24 -3.765 -4.239 13.696 197 HZ2 LYS 24 1HZ LYS 24 -2.668 -4.859 14.732 198 HZ3 LYS 24 2HZ LYS 24 -3.461 -5.861 13.695 199 H GLU 25 H GLU 25 -1.553 -4.498 5.515 200 HA GLU 25 HA GLU 25 -0.542 -7.129 5.561 201 HB2 GLU 25 1HB GLU 25 -1.132 -7.329 3.403 202 HB3 GLU 25 2HB GLU 25 -2.228 -6.115 3.998 203 HG2 GLU 25 1HG GLU 25 -1.735 -5.140 2.036 204 HG3 GLU 25 2HG GLU 25 -0.431 -4.419 2.954 205 H PHE 26 H PHE 26 0.862 -4.094 4.495 206 HA PHE 26 HA PHE 26 3.250 -5.139 3.407 207 HB2 PHE 26 1HB PHE 26 2.112 -2.444 3.896 208 HB3 PHE 26 2HB PHE 26 3.855 -2.516 3.712 209 HD1 PHE 26 2HD PHE 26 4.868 -3.684 1.705 210 HD2 PHE 26 1HD PHE 26 0.691 -2.705 1.943 211 HE1 PHE 26 2HE PHE 26 4.690 -3.772 -0.821 212 HE2 PHE 26 1HE PHE 26 0.517 -2.889 -0.497 213 HZ PHE 26 HZ PHE 26 2.518 -3.317 -1.902 214 H HIS 27 H HIS 27 2.540 -5.089 6.608 215 HA HIS 27 HA HIS 27 5.273 -4.384 7.510 216 HB2 HIS 27 1HB HIS 27 3.095 -3.404 8.502 217 HB3 HIS 27 2HB HIS 27 2.985 -4.917 9.371 218 HD1 HIS 27 1HD HIS 27 6.022 -5.285 10.268 219 HD2 HIS 27 2HD HIS 27 3.956 -1.622 10.096 220 HE1 HIS 27 1HE HIS 27 7.239 -3.685 11.859 221 H CYS 28 H CYS 28 3.735 -7.083 6.353 222 HA CYS 28 HA CYS 28 5.407 -8.915 8.000 223 HB2 CYS 28 1HB CYS 28 2.568 -8.722 8.212 224 HB3 CYS 28 2HB CYS 28 2.875 -10.185 7.293 225 HG CYS 28 HG CYS 28 3.992 -9.222 10.245 226 H LYS 29 H LYS 29 3.700 -8.209 4.977 227 HA LYS 29 HA LYS 29 5.610 -9.803 3.476 228 HB2 LYS 29 1HB LYS 29 3.737 -10.476 1.903 229 HB3 LYS 29 2HB LYS 29 3.704 -11.346 3.430 230 HG2 LYS 29 1HG LYS 29 1.845 -10.148 4.253 231 HG3 LYS 29 2HG LYS 29 2.090 -8.808 3.128 232 HD2 LYS 29 1HD LYS 29 0.144 -10.047 2.505 233 HD3 LYS 29 2HD LYS 29 1.365 -10.110 1.243 234 HE2 LYS 29 1HE LYS 29 0.281 -12.253 1.427 235 HE3 LYS 29 2HE LYS 29 1.957 -12.436 1.928 236 HZ1 LYS 29 3HZ LYS 29 -0.145 -13.310 3.327 237 HZ2 LYS 29 1HZ LYS 29 0.013 -11.869 4.037 238 HZ3 LYS 29 2HZ LYS 29 1.283 -12.917 4.064 239 H LYS 30 H LYS 30 5.403 -8.984 1.085 240 HA LYS 30 HA LYS 30 4.131 -6.443 0.994 241 HB2 LYS 30 1HB LYS 30 5.943 -5.370 0.201 242 HB3 LYS 30 2HB LYS 30 6.343 -5.990 1.771 243 HG2 LYS 30 1HG LYS 30 8.311 -6.365 0.774 244 HG3 LYS 30 2HG LYS 30 7.571 -7.900 0.303 245 HD2 LYS 30 1HD LYS 30 7.302 -7.225 -1.902 246 HD3 LYS 30 2HD LYS 30 7.081 -5.542 -1.520 247 HE2 LYS 30 1HE LYS 30 9.712 -7.059 -1.391 248 HE3 LYS 30 2HE LYS 30 9.242 -6.007 -2.719 249 HZ1 LYS 30 3HZ LYS 30 10.734 -5.127 -0.862 250 HZ2 LYS 30 1HZ LYS 30 9.438 -4.991 0.052 251 HZ3 LYS 30 2HZ LYS 30 9.505 -4.093 -1.323 252 H TYR 31 H TYR 31 3.332 -9.013 0.074 253 HA TYR 31 HA TYR 31 3.335 -8.792 -2.855 254 HB2 TYR 31 1HB TYR 31 4.225 -11.220 -2.947 255 HB3 TYR 31 2HB TYR 31 5.371 -9.929 -2.704 256 HD1 TYR 31 1HD TYR 31 3.752 -12.851 -1.074 257 HD2 TYR 31 2HD TYR 31 6.602 -9.640 -0.635 258 HE1 TYR 31 1HE TYR 31 4.537 -13.862 1.018 259 HE2 TYR 31 2HE TYR 31 7.398 -10.636 1.509 260 HH TYR 31 HH TYR 31 7.043 -12.350 3.116 261 H LEU 32 H LEU 32 1.171 -8.284 -1.674 262 HA LEU 32 HA LEU 32 -0.404 -10.247 -0.518 263 HB2 LEU 32 1HB LEU 32 -0.712 -7.612 -1.035 264 HB3 LEU 32 2HB LEU 32 -1.704 -8.255 -2.332 265 HG LEU 32 HG LEU 32 -3.106 -9.416 -0.702 266 HD11 LEU 32 1HD1 LEU 32 -2.856 -8.796 1.759 267 HD12 LEU 32 2HD1 LEU 32 -1.267 -8.121 1.334 268 HD13 LEU 32 3HD1 LEU 32 -1.577 -9.840 1.154 269 HD21 LEU 32 3HD2 LEU 32 -4.137 -7.422 0.351 270 HD22 LEU 32 1HD2 LEU 32 -3.750 -7.169 -1.359 271 HD23 LEU 32 2HD2 LEU 32 -2.705 -6.468 -0.100 272 H SER 33 H SER 33 -0.822 -12.156 -1.257 273 HA SER 33 HA SER 33 -0.737 -13.051 -3.952 274 HB2 SER 33 1HB SER 33 -0.341 -14.377 -1.823 275 HB3 SER 33 2HB SER 33 -2.072 -14.341 -1.558 276 HG SER 33 HG SER 33 -1.508 -16.229 -2.408 277 H LEU 34 H LEU 34 -2.648 -14.449 -4.755 278 HA LEU 34 HA LEU 34 -4.809 -12.856 -5.612 279 HB2 LEU 34 1HB LEU 34 -3.840 -15.087 -6.533 280 HB3 LEU 34 2HB LEU 34 -4.963 -15.870 -5.447 281 HG LEU 34 HG LEU 34 -5.826 -15.720 -7.709 282 HD11 LEU 34 1HD1 LEU 34 -8.018 -14.804 -7.354 283 HD12 LEU 34 2HD1 LEU 34 -7.472 -13.840 -5.982 284 HD13 LEU 34 3HD1 LEU 34 -7.471 -15.606 -5.876 285 HD21 LEU 34 3HD2 LEU 34 -6.334 -13.695 -8.887 286 HD22 LEU 34 1HD2 LEU 34 -4.611 -13.765 -8.500 287 HD23 LEU 34 2HD2 LEU 34 -5.679 -12.696 -7.580 288 H THR 35 H THR 35 -4.762 -15.423 -3.112 289 HA THR 35 HA THR 35 -7.389 -15.016 -2.213 290 HB THR 35 HB THR 35 -5.729 -16.961 -1.963 291 HG1 THR 35 1HG THR 35 -7.195 -16.405 0.384 292 HG21 THR 35 3HG2 THR 35 -4.987 -15.532 0.619 293 HG22 THR 35 1HG2 THR 35 -3.916 -15.872 -0.764 294 HG23 THR 35 2HG2 THR 35 -4.582 -17.194 0.199 295 H GLU 36 H GLU 36 -4.446 -13.287 -1.403 296 HA GLU 36 HA GLU 36 -5.334 -12.454 1.233 297 HB2 GLU 36 1HB GLU 36 -2.988 -11.573 -0.467 298 HB3 GLU 36 2HB GLU 36 -3.217 -11.218 1.249 299 HG2 GLU 36 1HG GLU 36 -2.982 -14.051 0.207 300 HG3 GLU 36 2HG GLU 36 -1.569 -13.056 0.538 301 H ARG 37 H ARG 37 -4.912 -10.995 -2.009 302 HA ARG 37 HA ARG 37 -5.823 -8.381 -1.351 303 HB2 ARG 37 1HB ARG 37 -4.840 -8.797 -3.514 304 HB3 ARG 37 2HB ARG 37 -6.081 -10.003 -3.892 305 HG2 ARG 37 1HG ARG 37 -7.811 -8.255 -3.975 306 HG3 ARG 37 2HG ARG 37 -6.609 -7.033 -3.523 307 HD2 ARG 37 1HD ARG 37 -5.555 -7.085 -5.606 308 HD3 ARG 37 2HD ARG 37 -6.111 -8.710 -5.975 309 HE ARG 37 HE ARG 37 -7.663 -6.181 -6.226 310 HH11 ARG 37 1HH1 ARG 37 -7.611 -9.708 -6.726 311 HH12 ARG 37 2HH1 ARG 37 -8.816 -9.685 -7.928 312 HH21 ARG 37 1HH2 ARG 37 -9.413 -6.191 -7.680 313 HH22 ARG 37 2HH2 ARG 37 -9.861 -7.661 -8.483 314 H SER 38 H SER 38 -7.585 -11.349 -2.287 315 HA SER 38 HA SER 38 -10.232 -10.313 -2.013 316 HB2 SER 38 1HB SER 38 -9.156 -13.167 -1.940 317 HB3 SER 38 2HB SER 38 -10.850 -12.684 -2.130 318 HG SER 38 HG SER 38 -10.180 -12.950 -4.129 319 H GLN 39 H GLN 39 -8.007 -10.658 0.562 320 HA GLN 39 HA GLN 39 -10.123 -11.469 2.428 321 HB2 GLN 39 1HB GLN 39 -7.333 -10.429 2.964 322 HB3 GLN 39 2HB GLN 39 -8.593 -10.767 4.164 323 HG2 GLN 39 1HG GLN 39 -8.639 -13.107 3.092 324 HG3 GLN 39 2HG GLN 39 -7.063 -12.708 2.421 325 HE21 GLN 39 1HE2 GLN 39 -5.245 -13.306 3.863 326 HE22 GLN 39 2HE2 GLN 39 -5.559 -13.453 5.590 327 H ILE 40 H ILE 40 -8.122 -8.527 2.537 328 HA ILE 40 HA ILE 40 -10.049 -6.927 3.571 329 HB ILE 40 HB ILE 40 -7.985 -5.888 1.612 330 HG12 ILE 40 1HG1 ILE 40 -6.894 -5.224 3.987 331 HG13 ILE 40 2HG1 ILE 40 -7.751 -6.659 4.518 332 HG21 ILE 40 1HG2 ILE 40 -9.657 -4.196 2.083 333 HG22 ILE 40 2HG2 ILE 40 -9.628 -4.590 3.816 334 HG23 ILE 40 3HG2 ILE 40 -8.253 -3.781 3.057 335 HD11 ILE 40 3HD1 ILE 40 -5.396 -7.115 3.876 336 HD12 ILE 40 1HD1 ILE 40 -6.473 -7.982 2.778 337 HD13 ILE 40 2HD1 ILE 40 -5.684 -6.473 2.256 338 H ALA 41 H ALA 41 -9.614 -7.494 0.047 339 HA ALA 41 HA ALA 41 -11.523 -5.497 -0.758 340 HB1 ALA 41 1HB ALA 41 -10.620 -7.933 -2.345 341 HB2 ALA 41 2HB ALA 41 -11.345 -6.454 -2.987 342 HB3 ALA 41 3HB ALA 41 -9.720 -6.402 -2.266 343 H HIS 42 H HIS 42 -12.110 -8.582 0.733 344 HA HIS 42 HA HIS 42 -14.946 -8.150 0.072 345 HB2 HIS 42 1HB HIS 42 -13.784 -10.100 -1.296 346 HB3 HIS 42 2HB HIS 42 -13.951 -10.995 0.196 347 HD1 HIS 42 1HD HIS 42 -16.157 -9.058 -2.359 348 HD2 HIS 42 2HD HIS 42 -16.373 -12.023 0.631 349 HE1 HIS 42 1HE HIS 42 -18.526 -10.049 -2.456 350 H ALA 43 H ALA 43 -13.377 -7.235 2.241 351 HA ALA 43 HA ALA 43 -14.619 -8.800 4.443 352 HB1 ALA 43 1HB ALA 43 -12.730 -8.251 5.906 353 HB2 ALA 43 2HB ALA 43 -12.257 -9.303 4.571 354 HB3 ALA 43 3HB ALA 43 -11.853 -7.570 4.534 355 H LEU 44 H LEU 44 -13.033 -5.618 3.721 356 HA LEU 44 HA LEU 44 -14.543 -4.434 5.933 357 HB2 LEU 44 1HB LEU 44 -12.570 -3.346 3.903 358 HB3 LEU 44 2HB LEU 44 -13.339 -2.317 5.112 359 HG LEU 44 HG LEU 44 -11.495 -4.641 5.726 360 HD11 LEU 44 1HD1 LEU 44 -10.587 -2.429 4.535 361 HD12 LEU 44 2HD1 LEU 44 -9.719 -3.283 5.793 362 HD13 LEU 44 3HD1 LEU 44 -10.639 -1.871 6.226 363 HD21 LEU 44 3HD2 LEU 44 -11.365 -3.511 7.974 364 HD22 LEU 44 1HD2 LEU 44 -12.933 -4.230 7.607 365 HD23 LEU 44 2HD2 LEU 44 -12.701 -2.464 7.470 366 H LYS 45 H LYS 45 -14.060 -2.994 2.773 367 HA LYS 45 HA LYS 45 -16.847 -2.292 2.238 368 HB2 LYS 45 1HB LYS 45 -14.875 -0.548 3.739 369 HB3 LYS 45 2HB LYS 45 -16.049 0.232 2.688 370 HG2 LYS 45 1HG LYS 45 -17.770 -0.097 4.058 371 HG3 LYS 45 2HG LYS 45 -17.323 -1.753 4.360 372 HD2 LYS 45 1HD LYS 45 -17.291 -0.705 6.463 373 HD3 LYS 45 2HD LYS 45 -15.604 -0.985 6.025 374 HE2 LYS 45 1HE LYS 45 -15.459 1.394 5.232 375 HE3 LYS 45 2HE LYS 45 -17.143 1.642 5.706 376 HZ1 LYS 45 3HZ LYS 45 -14.981 0.882 7.587 377 HZ2 LYS 45 1HZ LYS 45 -16.521 1.213 7.995 378 HZ3 LYS 45 2HZ LYS 45 -15.555 2.408 7.369 379 H LEU 46 H LEU 46 -14.180 -3.292 0.808 380 HA LEU 46 HA LEU 46 -13.725 -0.904 -0.961 381 HB2 LEU 46 1HB LEU 46 -11.845 -3.216 -0.353 382 HB3 LEU 46 2HB LEU 46 -11.569 -1.916 -1.483 383 HG LEU 46 HG LEU 46 -11.636 -0.247 0.400 384 HD11 LEU 46 1HD1 LEU 46 -10.987 -1.280 2.650 385 HD12 LEU 46 2HD1 LEU 46 -11.587 -2.811 1.995 386 HD13 LEU 46 3HD1 LEU 46 -12.689 -1.430 2.206 387 HD21 LEU 46 3HD2 LEU 46 -9.508 -1.066 -0.601 388 HD22 LEU 46 1HD2 LEU 46 -9.479 -2.409 0.543 389 HD23 LEU 46 2HD2 LEU 46 -9.336 -0.729 1.111 390 H SER 47 H SER 47 -13.897 -1.224 -3.139 391 HA SER 47 HA SER 47 -15.104 -3.702 -4.126 392 HB2 SER 47 1HB SER 47 -14.272 -1.061 -5.375 393 HB3 SER 47 2HB SER 47 -14.697 -2.460 -6.372 394 HG SER 47 HG SER 47 -16.713 -2.500 -5.512 395 H GLU 48 H GLU 48 -14.117 -5.279 -5.167 396 HA GLU 48 HA GLU 48 -11.449 -5.940 -5.211 397 HB2 GLU 48 1HB GLU 48 -13.905 -6.767 -6.565 398 HB3 GLU 48 2HB GLU 48 -12.560 -6.796 -7.707 399 HG2 GLU 48 1HG GLU 48 -11.270 -8.287 -6.370 400 HG3 GLU 48 2HG GLU 48 -12.418 -8.142 -5.024 401 H VAL 49 H VAL 49 -13.159 -4.045 -7.730 402 HA VAL 49 HA VAL 49 -10.970 -3.791 -9.476 403 HB VAL 49 HB VAL 49 -13.255 -1.808 -9.099 404 HG11 VAL 49 1HG1 VAL 49 -12.765 -1.323 -11.525 405 HG12 VAL 49 2HG1 VAL 49 -11.447 -0.864 -10.441 406 HG13 VAL 49 3HG1 VAL 49 -11.314 -2.348 -11.401 407 HG21 VAL 49 3HG2 VAL 49 -14.361 -3.015 -10.941 408 HG22 VAL 49 1HG2 VAL 49 -13.091 -4.246 -10.917 409 HG23 VAL 49 2HG2 VAL 49 -14.185 -4.050 -9.529 410 H GLN 50 H GLN 50 -12.170 -1.282 -7.180 411 HA GLN 50 HA GLN 50 -10.194 0.548 -7.653 412 HB2 GLN 50 1HB GLN 50 -12.385 0.337 -5.944 413 HB3 GLN 50 2HB GLN 50 -11.067 0.443 -4.808 414 HG2 GLN 50 1HG GLN 50 -11.745 2.422 -7.027 415 HG3 GLN 50 2HG GLN 50 -11.921 2.672 -5.288 416 HE21 GLN 50 1HE2 GLN 50 -9.735 2.431 -4.002 417 HE22 GLN 50 2HE2 GLN 50 -8.327 3.052 -4.855 418 H VAL 51 H VAL 51 -10.023 -2.240 -5.435 419 HA VAL 51 HA VAL 51 -7.703 -1.495 -4.007 420 HB VAL 51 HB VAL 51 -8.957 -4.164 -4.719 421 HG11 VAL 51 1HG1 VAL 51 -6.652 -3.619 -2.819 422 HG12 VAL 51 2HG1 VAL 51 -7.619 -5.102 -2.818 423 HG13 VAL 51 3HG1 VAL 51 -6.635 -4.689 -4.237 424 HG21 VAL 51 3HG2 VAL 51 -10.179 -2.506 -3.202 425 HG22 VAL 51 1HG2 VAL 51 -9.815 -4.059 -2.450 426 HG23 VAL 51 2HG2 VAL 51 -8.811 -2.643 -2.087 427 H LYS 52 H LYS 52 -7.955 -2.820 -7.355 428 HA LYS 52 HA LYS 52 -5.278 -3.689 -7.631 429 HB2 LYS 52 1HB LYS 52 -7.279 -2.509 -9.619 430 HB3 LYS 52 2HB LYS 52 -5.740 -3.236 -10.047 431 HG2 LYS 52 1HG LYS 52 -6.438 -5.389 -9.048 432 HG3 LYS 52 2HG LYS 52 -8.022 -4.696 -8.644 433 HD2 LYS 52 1HD LYS 52 -6.932 -4.694 -11.472 434 HD3 LYS 52 2HD LYS 52 -7.818 -6.080 -10.824 435 HE2 LYS 52 1HE LYS 52 -9.838 -4.972 -10.748 436 HE3 LYS 52 2HE LYS 52 -9.084 -3.363 -10.598 437 HZ1 LYS 52 3HZ LYS 52 -10.104 -3.883 -12.797 438 HZ2 LYS 52 1HZ LYS 52 -8.910 -4.970 -13.073 439 HZ3 LYS 52 2HZ LYS 52 -8.512 -3.398 -12.840 440 H ILE 53 H ILE 53 -6.702 -0.420 -7.819 441 HA ILE 53 HA ILE 53 -4.329 0.693 -9.060 442 HB ILE 53 HB ILE 53 -6.774 1.984 -7.870 443 HG12 ILE 53 1HG1 ILE 53 -6.971 2.207 -10.667 444 HG13 ILE 53 2HG1 ILE 53 -6.219 0.633 -10.508 445 HG21 ILE 53 1HG2 ILE 53 -4.725 3.154 -9.801 446 HG22 ILE 53 2HG2 ILE 53 -6.264 3.916 -9.332 447 HG23 ILE 53 3HG2 ILE 53 -5.008 3.673 -8.123 448 HD11 ILE 53 3HD1 ILE 53 -8.100 -0.054 -9.005 449 HD12 ILE 53 1HD1 ILE 53 -8.786 1.570 -9.175 450 HD13 ILE 53 2HD1 ILE 53 -8.680 0.500 -10.589 451 H TRP 54 H TRP 54 -5.302 0.059 -5.754 452 HA TRP 54 HA TRP 54 -3.752 2.063 -4.430 453 HB2 TRP 54 1HB TRP 54 -5.438 0.436 -3.461 454 HB3 TRP 54 2HB TRP 54 -4.230 -0.825 -3.600 455 HD1 TRP 54 HD TRP 54 -4.601 2.616 -1.853 456 HE1 TRP 54 1HE TRP 54 -3.671 2.414 0.521 457 HE3 TRP 54 3HE TRP 54 -2.739 -2.120 -2.159 458 HZ2 TRP 54 2HZ TRP 54 -2.238 0.441 2.094 459 HZ3 TRP 54 3HZ TRP 54 -1.737 -3.210 -0.121 460 HH2 TRP 54 HH TRP 54 -1.493 -1.923 1.987 461 H PHE 55 H PHE 55 -2.995 -1.059 -5.886 462 HA PHE 55 HA PHE 55 -0.284 -1.207 -4.933 463 HB2 PHE 55 1HB PHE 55 -1.564 -2.529 -7.346 464 HB3 PHE 55 2HB PHE 55 0.067 -2.859 -6.799 465 HD1 PHE 55 2HD PHE 55 -3.523 -3.135 -5.850 466 HD2 PHE 55 1HD PHE 55 0.521 -4.401 -5.019 467 HE1 PHE 55 2HE PHE 55 -4.381 -4.951 -4.399 468 HE2 PHE 55 1HE PHE 55 -0.356 -6.226 -3.582 469 HZ PHE 55 HZ PHE 55 -2.812 -6.502 -3.296 470 H GLN 56 H GLN 56 -1.826 0.433 -7.633 471 HA GLN 56 HA GLN 56 0.348 0.828 -9.385 472 HB2 GLN 56 1HB GLN 56 -2.310 1.232 -9.410 473 HB3 GLN 56 2HB GLN 56 -1.850 2.893 -9.130 474 HG2 GLN 56 1HG GLN 56 -0.721 3.020 -11.242 475 HG3 GLN 56 2HG GLN 56 -0.702 1.245 -11.410 476 HE21 GLN 56 1HE2 GLN 56 -2.893 0.108 -11.436 477 HE22 GLN 56 2HE2 GLN 56 -4.086 0.940 -12.430 478 H ASN 57 H ASN 57 -0.324 2.174 -6.277 479 HA ASN 57 HA ASN 57 1.736 4.291 -6.595 480 HB2 ASN 57 1HB ASN 57 -0.071 3.497 -4.231 481 HB3 ASN 57 2HB ASN 57 1.257 4.636 -4.088 482 HD21 ASN 57 1HD2 ASN 57 -1.741 4.156 -6.109 483 HD22 ASN 57 2HD2 ASN 57 -2.132 5.843 -6.191 484 H ARG 58 H ARG 58 1.209 1.251 -4.742 485 HA ARG 58 HA ARG 58 3.787 1.524 -3.511 486 HB2 ARG 58 1HB ARG 58 1.843 -0.802 -3.699 487 HB3 ARG 58 2HB ARG 58 3.323 -0.882 -2.755 488 HG2 ARG 58 1HG ARG 58 1.161 1.233 -2.312 489 HG3 ARG 58 2HG ARG 58 1.258 -0.291 -1.411 490 HD2 ARG 58 1HD ARG 58 3.322 0.284 -0.388 491 HD3 ARG 58 2HD ARG 58 3.636 1.593 -1.494 492 HE ARG 58 HE ARG 58 1.682 1.583 0.708 493 HH11 ARG 58 1HH1 ARG 58 3.833 3.462 -1.394 494 HH12 ARG 58 2HH1 ARG 58 3.337 4.992 -0.727 495 HH21 ARG 58 1HH2 ARG 58 1.043 3.570 1.525 496 HH22 ARG 58 2HH2 ARG 58 1.669 5.091 0.943 497 H ARG 59 H ARG 59 3.260 0.820 -6.693 498 HA ARG 59 HA ARG 59 5.642 -1.007 -6.798 499 HB2 ARG 59 1HB ARG 59 3.718 -0.120 -8.953 500 HB3 ARG 59 2HB ARG 59 5.192 -1.024 -9.297 501 HG2 ARG 59 1HG ARG 59 4.416 -2.927 -7.929 502 HG3 ARG 59 2HG ARG 59 3.001 -2.000 -7.424 503 HD2 ARG 59 1HD ARG 59 1.996 -3.159 -9.080 504 HD3 ARG 59 2HD ARG 59 2.587 -1.802 -10.038 505 HE ARG 59 HE ARG 59 4.386 -4.117 -9.927 506 HH11 ARG 59 1HH1 ARG 59 1.670 -2.611 -11.682 507 HH12 ARG 59 2HH1 ARG 59 1.830 -3.647 -13.067 508 HH21 ARG 59 1HH2 ARG 59 4.577 -5.484 -11.824 509 HH22 ARG 59 2HH2 ARG 59 3.337 -5.406 -13.038 510 H ALA 60 H ALA 60 5.177 2.301 -6.561 511 HA ALA 60 HA ALA 60 6.734 3.155 -8.880 512 HB1 ALA 60 1HB ALA 60 6.323 5.403 -7.962 513 HB2 ALA 60 2HB ALA 60 4.817 4.466 -8.004 514 HB3 ALA 60 3HB ALA 60 5.676 4.708 -6.463 515 H LYS 61 H LYS 61 7.523 2.348 -5.554 516 HA LYS 61 HA LYS 61 9.757 3.985 -5.098 517 HB2 LYS 61 1HB LYS 61 8.788 2.579 -3.379 518 HB3 LYS 61 2HB LYS 61 9.199 1.119 -4.292 519 HG2 LYS 61 1HG LYS 61 11.711 2.080 -4.044 520 HG3 LYS 61 2HG LYS 61 10.995 3.113 -2.809 521 HD2 LYS 61 1HD LYS 61 10.265 1.034 -1.618 522 HD3 LYS 61 2HD LYS 61 11.035 0.080 -2.893 523 HE2 LYS 61 1HE LYS 61 13.246 1.049 -2.387 524 HE3 LYS 61 2HE LYS 61 12.509 2.226 -1.294 525 HZ1 LYS 61 3HZ LYS 61 11.988 0.434 0.234 526 HZ2 LYS 61 1HZ LYS 61 13.582 0.564 -0.077 527 HZ3 LYS 61 2HZ LYS 61 12.779 -0.673 -0.733 528 H TRP 62 H TRP 62 9.896 0.613 -6.475 529 HA TRP 62 HA TRP 62 12.675 0.830 -6.808 530 HB2 TRP 62 1HB TRP 62 10.931 -0.954 -8.505 531 HB3 TRP 62 2HB TRP 62 12.600 -1.197 -8.002 532 HD1 TRP 62 HD TRP 62 12.892 -1.652 -5.235 533 HE1 TRP 62 1HE TRP 62 11.384 -3.016 -3.670 534 HE3 TRP 62 3HE TRP 62 8.662 -1.728 -8.097 535 HZ2 TRP 62 2HZ TRP 62 8.618 -3.983 -3.662 536 HZ3 TRP 62 3HZ TRP 62 6.637 -2.931 -7.318 537 HH2 TRP 62 HH TRP 62 6.596 -3.999 -5.094 538 H LYS 63 H LYS 63 10.026 1.593 -9.118 539 HA LYS 63 HA LYS 63 11.543 2.211 -11.417 540 HB2 LYS 63 1HB LYS 63 8.900 3.120 -10.184 541 HB3 LYS 63 2HB LYS 63 9.523 3.969 -11.536 542 HG2 LYS 63 1HG LYS 63 8.262 2.533 -12.721 543 HG3 LYS 63 2HG LYS 63 9.685 1.479 -12.611 544 HD2 LYS 63 1HD LYS 63 8.650 0.322 -10.677 545 HD3 LYS 63 2HD LYS 63 7.346 1.509 -10.657 546 HE2 LYS 63 1HE LYS 63 6.458 -0.445 -11.658 547 HE3 LYS 63 2HE LYS 63 6.608 0.804 -12.897 548 HZ1 LYS 63 3HZ LYS 63 7.314 -1.468 -13.532 549 HZ2 LYS 63 1HZ LYS 63 8.563 -1.363 -12.512 550 HZ3 LYS 63 2HZ LYS 63 8.460 -0.332 -13.828 551 H ARG 64 H ARG 64 10.406 4.480 -8.795 552 HA ARG 64 HA ARG 64 11.824 6.634 -9.911 553 HB2 ARG 64 1HB ARG 64 11.044 7.963 -8.259 554 HB3 ARG 64 2HB ARG 64 9.822 6.684 -8.363 555 HG2 ARG 64 1HG ARG 64 10.074 6.270 -6.200 556 HG3 ARG 64 2HG ARG 64 11.698 5.733 -6.584 557 HD2 ARG 64 1HD ARG 64 10.935 8.572 -5.856 558 HD3 ARG 64 2HD ARG 64 11.618 7.393 -4.724 559 HE ARG 64 HE ARG 64 13.102 8.257 -7.183 560 HH11 ARG 64 1HH1 ARG 64 12.864 8.467 -3.676 561 HH12 ARG 64 2HH1 ARG 64 14.515 8.936 -3.451 562 HH21 ARG 64 1HH2 ARG 64 15.274 8.897 -6.923 563 HH22 ARG 64 2HH2 ARG 64 15.917 9.191 -5.350 564 H ILE 65 H ILE 65 13.069 4.139 -7.815 565 HA ILE 65 HA ILE 65 15.565 5.626 -7.329 566 HB ILE 65 HB ILE 65 14.497 2.932 -6.410 567 HG12 ILE 65 1HG1 ILE 65 14.970 5.590 -4.972 568 HG13 ILE 65 2HG1 ILE 65 13.407 4.932 -5.427 569 HG21 ILE 65 1HG2 ILE 65 16.481 2.932 -4.838 570 HG22 ILE 65 2HG2 ILE 65 16.886 2.666 -6.514 571 HG23 ILE 65 3HG2 ILE 65 17.162 4.263 -5.792 572 HD11 ILE 65 3HD1 ILE 65 15.234 3.913 -3.262 573 HD12 ILE 65 1HD1 ILE 65 13.567 4.480 -3.145 574 HD13 ILE 65 2HD1 ILE 65 13.914 2.925 -3.931 575 H LYS 66 H LYS 66 14.325 3.744 -9.866 576 HA LYS 66 HA LYS 66 17.039 3.082 -10.906 577 HB2 LYS 66 1HB LYS 66 15.477 1.191 -9.979 578 HB3 LYS 66 2HB LYS 66 14.539 1.413 -11.436 579 HG2 LYS 66 1HG LYS 66 17.512 0.708 -11.309 580 HG3 LYS 66 2HG LYS 66 16.205 -0.472 -11.334 581 HD2 LYS 66 1HD LYS 66 15.439 0.525 -13.536 582 HD3 LYS 66 2HD LYS 66 16.968 1.435 -13.560 583 HE2 LYS 66 1HE LYS 66 18.066 -0.349 -14.358 584 HE3 LYS 66 2HE LYS 66 17.685 -1.223 -12.877 585 HZ1 LYS 66 3HZ LYS 66 16.926 -2.467 -14.721 586 HZ2 LYS 66 1HZ LYS 66 16.167 -1.212 -15.395 587 HZ3 LYS 66 2HZ LYS 66 15.553 -1.896 -14.017 588 H ALA 67 H ALA 67 15.709 5.538 -11.200 589 HA ALA 67 HA ALA 67 14.494 5.563 -13.897 590 HB1 ALA 67 1HB ALA 67 13.404 6.933 -12.197 591 HB2 ALA 67 2HB ALA 67 14.941 7.731 -11.798 592 HB3 ALA 67 3HB ALA 67 14.198 7.973 -13.394 593 H GLY 68 H GLY 68 16.065 5.338 -15.454 594 HA2 GLY 68 1HA GLY 68 17.875 7.174 -16.244 595 HA3 GLY 68 2HA GLY 68 18.790 6.350 -14.985 596 H ASN 69 H ASN 69 16.730 5.498 -17.835 597 HA ASN 69 HA ASN 69 18.826 3.891 -18.947 598 HB2 ASN 69 1HB ASN 69 17.313 2.383 -17.329 599 HB3 ASN 69 2HB ASN 69 16.192 2.452 -18.696 600 HD21 ASN 69 1HD2 ASN 69 19.118 0.963 -17.494 601 HD22 ASN 69 2HD2 ASN 69 19.248 -0.131 -18.824 602 H VAL 70 H VAL 70 17.694 2.994 -21.203 603 HA VAL 70 HA VAL 70 16.280 5.324 -22.301 604 HB VAL 70 HB VAL 70 18.132 4.426 -23.562 605 HG11 VAL 70 1HG1 VAL 70 18.133 2.364 -24.726 606 HG12 VAL 70 2HG1 VAL 70 17.822 1.967 -23.029 607 HG13 VAL 70 3HG1 VAL 70 16.491 1.971 -24.196 608 HG21 VAL 70 3HG2 VAL 70 17.034 4.419 -25.745 609 HG22 VAL 70 1HG2 VAL 70 15.458 4.117 -24.985 610 HG23 VAL 70 2HG2 VAL 70 16.326 5.640 -24.687 611 H SER 71 H SER 71 14.257 5.449 -22.141 612 HA SER 71 HA SER 71 12.073 5.134 -22.063 613 HB2 SER 71 1HB SER 71 12.483 2.140 -22.409 614 HB3 SER 71 2HB SER 71 10.952 3.010 -22.410 615 HG SER 71 HG SER 71 12.469 4.307 -24.130 Start of MODEL 10 1 H1 SER 1 H SER 1 -20.959 22.934 -10.377 2 HA SER 1 HA SER 1 -20.870 20.537 -12.099 3 HB2 SER 1 1HB SER 1 -23.016 21.882 -12.050 4 HB3 SER 1 2HB SER 1 -22.146 23.186 -12.863 5 HG SER 1 HG SER 1 -23.410 21.461 -14.044 6 H ALA 2 H ALA 2 -18.792 20.377 -12.788 7 HA ALA 2 HA ALA 2 -17.539 22.611 -14.211 8 HB1 ALA 2 1HB ALA 2 -16.234 21.303 -11.797 9 HB2 ALA 2 2HB ALA 2 -15.379 22.278 -13.007 10 HB3 ALA 2 3HB ALA 2 -16.640 23.024 -12.009 11 HA PRO 3 HA PRO 3 -16.996 18.415 -16.109 12 HB2 PRO 3 1HB PRO 3 -17.449 19.102 -18.704 13 HB3 PRO 3 2HB PRO 3 -18.775 18.785 -17.553 14 HG2 PRO 3 1HG PRO 3 -17.665 21.467 -18.412 15 HG3 PRO 3 2HG PRO 3 -19.380 20.971 -18.261 16 HD2 PRO 3 1HD PRO 3 -18.019 22.365 -16.314 17 HD3 PRO 3 2HD PRO 3 -19.334 21.219 -15.926 18 H GLY 4 H GLY 4 -15.003 17.705 -16.991 19 HA2 GLY 4 1HA GLY 4 -13.309 19.118 -18.663 20 HA3 GLY 4 2HA GLY 4 -12.756 19.438 -17.003 21 H GLY 5 H GLY 5 -11.042 18.088 -18.613 22 HA2 GLY 5 1HA GLY 5 -11.249 15.201 -18.238 23 HA3 GLY 5 2HA GLY 5 -9.859 16.103 -18.870 24 H LYS 6 H LYS 6 -9.744 13.976 -16.925 25 HA LYS 6 HA LYS 6 -8.700 15.381 -14.507 26 HB2 LYS 6 1HB LYS 6 -10.287 12.762 -14.484 27 HB3 LYS 6 2HB LYS 6 -9.572 13.580 -13.102 28 HG2 LYS 6 1HG LYS 6 -11.677 14.359 -12.814 29 HG3 LYS 6 2HG LYS 6 -11.120 15.610 -13.917 30 HD2 LYS 6 1HD LYS 6 -13.179 15.020 -14.846 31 HD3 LYS 6 2HD LYS 6 -12.087 14.017 -15.803 32 HE2 LYS 6 1HE LYS 6 -12.541 12.190 -13.969 33 HE3 LYS 6 2HE LYS 6 -13.880 13.228 -13.481 34 HZ1 LYS 6 3HZ LYS 6 -14.589 13.068 -15.911 35 HZ2 LYS 6 1HZ LYS 6 -14.772 11.710 -15.005 36 HZ3 LYS 6 2HZ LYS 6 -13.512 11.848 -16.055 37 H SER 7 H SER 7 -7.073 13.977 -13.311 38 HA SER 7 HA SER 7 -5.407 12.695 -15.397 39 HB2 SER 7 1HB SER 7 -4.662 14.413 -13.003 40 HB3 SER 7 2HB SER 7 -3.595 13.872 -14.290 41 HG SER 7 HG SER 7 -4.922 15.049 -15.780 42 H ARG 8 H ARG 8 -3.521 11.462 -14.472 43 HA ARG 8 HA ARG 8 -4.467 9.446 -12.537 44 HB2 ARG 8 1HB ARG 8 -3.040 8.976 -14.618 45 HB3 ARG 8 2HB ARG 8 -1.690 9.694 -13.759 46 HG2 ARG 8 1HG ARG 8 -3.244 7.186 -13.060 47 HG3 ARG 8 2HG ARG 8 -1.584 7.311 -13.611 48 HD2 ARG 8 1HD ARG 8 -1.334 8.749 -11.350 49 HD3 ARG 8 2HD ARG 8 -2.720 7.792 -10.853 50 HE ARG 8 HE ARG 8 0.004 7.061 -11.022 51 HH11 ARG 8 1HH1 ARG 8 -3.135 5.570 -11.706 52 HH12 ARG 8 2HH1 ARG 8 -2.555 3.964 -11.784 53 HH21 ARG 8 1HH2 ARG 8 0.834 4.873 -11.063 54 HH22 ARG 8 2HH2 ARG 8 -0.212 3.563 -11.461 55 H ARG 9 H ARG 9 -4.693 10.501 -10.587 56 HA ARG 9 HA ARG 9 -2.169 11.355 -9.274 57 HB2 ARG 9 1HB ARG 9 -4.757 12.926 -9.435 58 HB3 ARG 9 2HB ARG 9 -3.728 13.056 -8.009 59 HG2 ARG 9 1HG ARG 9 -1.800 13.708 -9.392 60 HG3 ARG 9 2HG ARG 9 -2.800 13.643 -10.864 61 HD2 ARG 9 1HD ARG 9 -4.125 15.486 -10.183 62 HD3 ARG 9 2HD ARG 9 -3.623 15.305 -8.491 63 HE ARG 9 HE ARG 9 -1.484 16.004 -10.361 64 HH11 ARG 9 1HH1 ARG 9 -4.138 17.340 -8.431 65 HH12 ARG 9 2HH1 ARG 9 -3.327 18.827 -8.054 66 HH21 ARG 9 1HH2 ARG 9 -0.288 17.996 -9.656 67 HH22 ARG 9 2HH2 ARG 9 -1.198 19.207 -8.812 68 H ARG 10 H ARG 10 -2.621 11.449 -6.793 69 HA ARG 10 HA ARG 10 -3.732 8.956 -5.857 70 HB2 ARG 10 1HB ARG 10 -1.853 10.317 -4.817 71 HB3 ARG 10 2HB ARG 10 -3.060 11.417 -4.170 72 HG2 ARG 10 1HG ARG 10 -3.086 8.416 -3.616 73 HG3 ARG 10 2HG ARG 10 -2.097 9.543 -2.694 74 HD2 ARG 10 1HD ARG 10 -4.117 10.767 -1.966 75 HD3 ARG 10 2HD ARG 10 -5.132 9.575 -2.805 76 HE ARG 10 HE ARG 10 -3.744 7.887 -1.334 77 HH11 ARG 10 1HH1 ARG 10 -5.301 10.895 -0.181 78 HH12 ARG 10 2HH1 ARG 10 -5.117 10.458 1.477 79 HH21 ARG 10 1HH2 ARG 10 -3.697 7.284 0.861 80 HH22 ARG 10 2HH2 ARG 10 -4.321 8.333 2.079 81 H ARG 11 H ARG 11 -5.821 8.930 -6.688 82 HA ARG 11 HA ARG 11 -7.826 10.751 -5.464 83 HB2 ARG 11 1HB ARG 11 -9.055 10.890 -7.477 84 HB3 ARG 11 2HB ARG 11 -7.372 11.380 -7.752 85 HG2 ARG 11 1HG ARG 11 -6.979 8.944 -8.443 86 HG3 ARG 11 2HG ARG 11 -8.721 8.792 -8.528 87 HD2 ARG 11 1HD ARG 11 -7.149 10.926 -10.061 88 HD3 ARG 11 2HD ARG 11 -7.464 9.307 -10.703 89 HE ARG 11 HE ARG 11 -9.908 10.522 -9.842 90 HH11 ARG 11 1HH1 ARG 11 -7.603 10.492 -12.521 91 HH12 ARG 11 2HH1 ARG 11 -8.784 10.417 -13.773 92 HH21 ARG 11 1HH2 ARG 11 -11.502 11.033 -11.525 93 HH22 ARG 11 2HH2 ARG 11 -11.094 10.493 -13.105 94 H THR 12 H THR 12 -6.764 8.165 -4.616 95 HA THR 12 HA THR 12 -8.378 5.980 -5.037 96 HB THR 12 HB THR 12 -7.212 6.769 -2.333 97 HG1 THR 12 1HG THR 12 -5.211 6.295 -3.024 98 HG21 THR 12 3HG2 THR 12 -7.039 4.170 -3.833 99 HG22 THR 12 1HG2 THR 12 -8.271 4.560 -2.614 100 HG23 THR 12 2HG2 THR 12 -6.551 4.499 -2.161 101 H ALA 13 H ALA 13 -10.220 5.150 -3.931 102 HA ALA 13 HA ALA 13 -11.929 7.194 -2.601 103 HB1 ALA 13 1HB ALA 13 -12.724 4.762 -4.252 104 HB2 ALA 13 2HB ALA 13 -13.815 5.961 -3.528 105 HB3 ALA 13 3HB ALA 13 -12.703 6.446 -4.818 106 H PHE 14 H PHE 14 -10.218 6.134 -0.794 107 HA PHE 14 HA PHE 14 -11.866 4.124 0.618 108 HB2 PHE 14 1HB PHE 14 -8.857 4.355 0.713 109 HB3 PHE 14 2HB PHE 14 -9.845 3.159 1.564 110 HD1 PHE 14 2HD PHE 14 -11.693 2.219 -0.598 111 HD2 PHE 14 1HD PHE 14 -7.472 3.014 -0.609 112 HE1 PHE 14 2HE PHE 14 -11.388 0.591 -2.436 113 HE2 PHE 14 1HE PHE 14 -7.176 1.449 -2.497 114 HZ PHE 14 HZ PHE 14 -9.119 0.175 -3.362 115 H THR 15 H THR 15 -10.590 4.220 3.102 116 HA THR 15 HA THR 15 -10.600 7.033 3.957 117 HB THR 15 HB THR 15 -12.215 6.665 5.643 118 HG1 THR 15 1HG THR 15 -13.062 4.761 6.160 119 HG21 THR 15 3HG2 THR 15 -13.269 6.971 3.400 120 HG22 THR 15 1HG2 THR 15 -14.283 6.032 4.505 121 HG23 THR 15 2HG2 THR 15 -13.385 5.187 3.235 122 H SER 16 H SER 16 -9.742 7.066 6.418 123 HA SER 16 HA SER 16 -7.376 5.457 6.382 124 HB2 SER 16 1HB SER 16 -8.144 6.679 8.957 125 HB3 SER 16 2HB SER 16 -6.620 6.718 8.022 126 HG SER 16 HG SER 16 -8.720 8.480 8.125 127 H GLU 17 H GLU 17 -10.572 4.993 7.847 128 HA GLU 17 HA GLU 17 -9.901 2.919 9.675 129 HB2 GLU 17 1HB GLU 17 -12.349 3.746 8.100 130 HB3 GLU 17 2HB GLU 17 -12.305 2.205 8.929 131 HG2 GLU 17 1HG GLU 17 -13.246 3.425 10.578 132 HG3 GLU 17 2HG GLU 17 -11.557 3.591 11.025 133 H GLN 18 H GLN 18 -11.028 2.821 6.250 134 HA GLN 18 HA GLN 18 -10.817 0.048 5.931 135 HB2 GLN 18 1HB GLN 18 -10.569 2.350 3.949 136 HB3 GLN 18 2HB GLN 18 -10.690 0.678 3.442 137 HG2 GLN 18 1HG GLN 18 -12.871 0.443 4.575 138 HG3 GLN 18 2HG GLN 18 -12.813 2.137 5.067 139 HE21 GLN 18 1HE2 GLN 18 -14.549 0.520 3.070 140 HE22 GLN 18 2HE2 GLN 18 -14.521 1.523 1.612 141 H LEU 19 H LEU 19 -8.358 2.539 5.203 142 HA LEU 19 HA LEU 19 -6.387 0.851 4.020 143 HB2 LEU 19 1HB LEU 19 -6.475 3.557 5.328 144 HB3 LEU 19 2HB LEU 19 -4.896 2.821 5.142 145 HG LEU 19 HG LEU 19 -4.918 2.852 2.827 146 HD11 LEU 19 1HD1 LEU 19 -6.853 3.471 1.427 147 HD12 LEU 19 2HD1 LEU 19 -7.903 3.359 2.851 148 HD13 LEU 19 3HD1 LEU 19 -7.076 1.918 2.230 149 HD21 LEU 19 3HD2 LEU 19 -6.410 5.319 3.825 150 HD22 LEU 19 1HD2 LEU 19 -5.588 5.226 2.269 151 HD23 LEU 19 2HD2 LEU 19 -4.644 5.069 3.759 152 H LEU 20 H LEU 20 -7.206 1.092 7.476 153 HA LEU 20 HA LEU 20 -4.621 0.598 8.447 154 HB2 LEU 20 1HB LEU 20 -7.181 0.825 9.590 155 HB3 LEU 20 2HB LEU 20 -6.720 -0.837 9.967 156 HG LEU 20 HG LEU 20 -5.234 1.730 10.664 157 HD11 LEU 20 1HD1 LEU 20 -5.711 1.067 12.982 158 HD12 LEU 20 2HD1 LEU 20 -6.487 -0.434 12.425 159 HD13 LEU 20 3HD1 LEU 20 -7.214 1.135 12.059 160 HD21 LEU 20 3HD2 LEU 20 -3.462 0.128 10.242 161 HD22 LEU 20 1HD2 LEU 20 -4.343 -1.148 11.081 162 HD23 LEU 20 2HD2 LEU 20 -3.671 0.229 11.983 163 H GLU 21 H GLU 21 -6.956 -1.640 7.021 164 HA GLU 21 HA GLU 21 -5.593 -4.032 8.010 165 HB2 GLU 21 1HB GLU 21 -7.604 -3.817 5.743 166 HB3 GLU 21 2HB GLU 21 -7.171 -5.250 6.668 167 HG2 GLU 21 1HG GLU 21 -8.067 -3.233 8.556 168 HG3 GLU 21 2HG GLU 21 -9.164 -3.193 7.205 169 H LEU 22 H LEU 22 -5.591 -2.104 5.110 170 HA LEU 22 HA LEU 22 -3.992 -3.768 3.375 171 HB2 LEU 22 1HB LEU 22 -5.160 -1.018 3.439 172 HB3 LEU 22 2HB LEU 22 -3.673 -1.096 2.545 173 HG LEU 22 HG LEU 22 -5.925 -3.061 2.051 174 HD11 LEU 22 1HD1 LEU 22 -5.537 -0.357 0.716 175 HD12 LEU 22 2HD1 LEU 22 -6.883 -0.840 1.791 176 HD13 LEU 22 3HD1 LEU 22 -6.697 -1.615 0.206 177 HD21 LEU 22 3HD2 LEU 22 -3.754 -3.693 1.095 178 HD22 LEU 22 1HD2 LEU 22 -3.662 -2.137 0.258 179 HD23 LEU 22 2HD2 LEU 22 -4.927 -3.311 -0.172 180 H GLU 23 H GLU 23 -3.350 -1.221 5.734 181 HA GLU 23 HA GLU 23 -0.496 -1.072 5.353 182 HB2 GLU 23 1HB GLU 23 -2.391 -0.297 7.602 183 HB3 GLU 23 2HB GLU 23 -0.660 -0.045 7.713 184 HG2 GLU 23 1HG GLU 23 -2.287 1.039 5.360 185 HG3 GLU 23 2HG GLU 23 -2.165 1.923 6.887 186 H LYS 24 H LYS 24 -2.586 -2.833 7.720 187 HA LYS 24 HA LYS 24 -0.586 -3.914 9.288 188 HB2 LYS 24 1HB LYS 24 -3.372 -4.859 8.592 189 HB3 LYS 24 2HB LYS 24 -2.326 -5.866 9.609 190 HG2 LYS 24 1HG LYS 24 -2.075 -4.187 11.258 191 HG3 LYS 24 2HG LYS 24 -2.822 -2.947 10.248 192 HD2 LYS 24 1HD LYS 24 -5.008 -3.998 10.421 193 HD3 LYS 24 2HD LYS 24 -4.314 -5.435 11.190 194 HE2 LYS 24 1HE LYS 24 -3.535 -3.966 13.092 195 HE3 LYS 24 2HE LYS 24 -4.419 -2.625 12.367 196 HZ1 LYS 24 3HZ LYS 24 -6.423 -4.173 12.537 197 HZ2 LYS 24 1HZ LYS 24 -5.851 -3.531 13.951 198 HZ3 LYS 24 2HZ LYS 24 -5.523 -5.084 13.546 199 H GLU 25 H GLU 25 -1.924 -5.459 6.332 200 HA GLU 25 HA GLU 25 -0.360 -7.848 6.501 201 HB2 GLU 25 1HB GLU 25 -1.695 -6.318 4.249 202 HB3 GLU 25 2HB GLU 25 -0.685 -7.706 3.875 203 HG2 GLU 25 1HG GLU 25 -2.813 -7.990 5.978 204 HG3 GLU 25 2HG GLU 25 -3.282 -8.007 4.247 205 H PHE 26 H PHE 26 0.384 -4.615 5.306 206 HA PHE 26 HA PHE 26 2.666 -5.441 3.721 207 HB2 PHE 26 1HB PHE 26 1.139 -3.070 4.073 208 HB3 PHE 26 2HB PHE 26 2.749 -2.652 4.606 209 HD1 PHE 26 1HD PHE 26 4.757 -3.354 2.940 210 HD2 PHE 26 2HD PHE 26 0.594 -3.025 1.822 211 HE1 PHE 26 1HE PHE 26 5.415 -2.880 0.610 212 HE2 PHE 26 2HE PHE 26 1.273 -2.649 -0.533 213 HZ PHE 26 HZ PHE 26 3.692 -2.475 -1.127 214 H HIS 27 H HIS 27 2.237 -5.075 7.090 215 HA HIS 27 HA HIS 27 4.994 -4.230 7.659 216 HB2 HIS 27 1HB HIS 27 2.892 -3.863 9.087 217 HB3 HIS 27 2HB HIS 27 3.062 -5.552 9.578 218 HD1 HIS 27 1HD HIS 27 4.278 -5.627 11.927 219 HD2 HIS 27 2HD HIS 27 5.498 -2.468 9.397 220 HE1 HIS 27 1HE HIS 27 5.920 -4.257 13.247 221 H CYS 28 H CYS 28 3.440 -7.195 6.857 222 HA CYS 28 HA CYS 28 5.595 -8.873 8.116 223 HB2 CYS 28 1HB CYS 28 3.288 -9.291 8.928 224 HB3 CYS 28 2HB CYS 28 2.756 -9.505 7.249 225 HG CYS 28 HG CYS 28 2.813 -11.841 8.233 226 H LYS 29 H LYS 29 3.542 -8.503 5.190 227 HA LYS 29 HA LYS 29 5.606 -9.944 3.622 228 HB2 LYS 29 1HB LYS 29 3.749 -11.043 2.375 229 HB3 LYS 29 2HB LYS 29 4.066 -11.599 4.001 230 HG2 LYS 29 1HG LYS 29 1.930 -11.394 4.543 231 HG3 LYS 29 2HG LYS 29 2.027 -9.662 4.354 232 HD2 LYS 29 1HD LYS 29 0.177 -10.554 3.093 233 HD3 LYS 29 2HD LYS 29 1.364 -9.783 2.038 234 HE2 LYS 29 1HE LYS 29 0.409 -11.871 1.102 235 HE3 LYS 29 2HE LYS 29 2.165 -11.938 1.237 236 HZ1 LYS 29 3HZ LYS 29 0.681 -13.859 1.988 237 HZ2 LYS 29 1HZ LYS 29 0.497 -13.039 3.387 238 HZ3 LYS 29 2HZ LYS 29 2.015 -13.499 2.894 239 H LYS 30 H LYS 30 6.470 -8.436 2.561 240 HA LYS 30 HA LYS 30 5.296 -5.999 1.715 241 HB2 LYS 30 1HB LYS 30 7.658 -6.565 2.354 242 HB3 LYS 30 2HB LYS 30 7.834 -7.355 0.793 243 HG2 LYS 30 1HG LYS 30 6.850 -4.567 0.596 244 HG3 LYS 30 2HG LYS 30 8.400 -4.682 1.434 245 HD2 LYS 30 1HD LYS 30 7.824 -6.026 -1.215 246 HD3 LYS 30 2HD LYS 30 8.534 -4.404 -1.086 247 HE2 LYS 30 1HE LYS 30 10.519 -5.216 -0.035 248 HE3 LYS 30 2HE LYS 30 9.798 -6.789 0.331 249 HZ1 LYS 30 3HZ LYS 30 10.261 -5.898 -2.442 250 HZ2 LYS 30 1HZ LYS 30 9.876 -7.399 -1.927 251 HZ3 LYS 30 2HZ LYS 30 11.331 -6.822 -1.549 252 H TYR 31 H TYR 31 4.559 -8.969 0.415 253 HA TYR 31 HA TYR 31 3.748 -7.806 -2.139 254 HB2 TYR 31 1HB TYR 31 4.203 -10.021 -3.198 255 HB3 TYR 31 2HB TYR 31 5.613 -9.053 -2.828 256 HD1 TYR 31 1HD TYR 31 6.995 -9.623 -0.697 257 HD2 TYR 31 2HD TYR 31 4.059 -12.298 -2.418 258 HE1 TYR 31 1HE TYR 31 8.004 -11.514 0.515 259 HE2 TYR 31 2HE TYR 31 5.127 -14.198 -1.253 260 HH TYR 31 HH TYR 31 7.261 -13.714 1.355 261 H LEU 32 H LEU 32 1.601 -7.959 -2.199 262 HA LEU 32 HA LEU 32 0.180 -9.803 -0.382 263 HB2 LEU 32 1HB LEU 32 -0.360 -7.169 -1.074 264 HB3 LEU 32 2HB LEU 32 -1.324 -8.058 -2.268 265 HG LEU 32 HG LEU 32 -2.412 -9.298 -0.419 266 HD11 LEU 32 1HD1 LEU 32 -2.269 -8.363 1.890 267 HD12 LEU 32 2HD1 LEU 32 -0.961 -7.276 1.375 268 HD13 LEU 32 3HD1 LEU 32 -0.728 -9.035 1.394 269 HD21 LEU 32 3HD2 LEU 32 -2.664 -6.279 -0.104 270 HD22 LEU 32 1HD2 LEU 32 -3.891 -7.510 0.249 271 HD23 LEU 32 2HD2 LEU 32 -3.389 -7.227 -1.426 272 H SER 33 H SER 33 -0.136 -11.835 -1.225 273 HA SER 33 HA SER 33 0.026 -12.322 -4.076 274 HB2 SER 33 1HB SER 33 -0.758 -14.260 -1.886 275 HB3 SER 33 2HB SER 33 -0.202 -14.629 -3.524 276 HG SER 33 HG SER 33 1.470 -14.812 -2.017 277 H LEU 34 H LEU 34 -2.034 -14.253 -4.447 278 HA LEU 34 HA LEU 34 -3.913 -12.363 -5.489 279 HB2 LEU 34 1HB LEU 34 -2.954 -14.741 -6.329 280 HB3 LEU 34 2HB LEU 34 -4.388 -15.337 -5.537 281 HG LEU 34 HG LEU 34 -4.622 -15.000 -7.948 282 HD11 LEU 34 1HD1 LEU 34 -6.765 -13.869 -7.992 283 HD12 LEU 34 2HD1 LEU 34 -6.429 -13.117 -6.411 284 HD13 LEU 34 3HD1 LEU 34 -6.631 -14.867 -6.541 285 HD21 LEU 34 3HD2 LEU 34 -3.088 -12.993 -8.074 286 HD22 LEU 34 1HD2 LEU 34 -4.485 -12.003 -7.591 287 HD23 LEU 34 2HD2 LEU 34 -4.523 -12.973 -9.090 288 H THR 35 H THR 35 -4.302 -15.077 -3.117 289 HA THR 35 HA THR 35 -7.029 -14.339 -2.503 290 HB THR 35 HB THR 35 -4.935 -16.127 -1.237 291 HG1 THR 35 1HG THR 35 -7.434 -16.696 -2.440 292 HG21 THR 35 3HG2 THR 35 -7.821 -15.846 -0.306 293 HG22 THR 35 1HG2 THR 35 -6.373 -15.443 0.625 294 HG23 THR 35 2HG2 THR 35 -6.668 -17.123 0.161 295 H GLU 36 H GLU 36 -3.854 -13.289 -1.208 296 HA GLU 36 HA GLU 36 -4.937 -12.139 1.201 297 HB2 GLU 36 1HB GLU 36 -2.330 -11.664 -0.327 298 HB3 GLU 36 2HB GLU 36 -2.767 -10.891 1.199 299 HG2 GLU 36 1HG GLU 36 -1.583 -12.563 2.082 300 HG3 GLU 36 2HG GLU 36 -3.135 -13.367 2.032 301 H ARG 37 H ARG 37 -4.379 -10.984 -2.150 302 HA ARG 37 HA ARG 37 -5.217 -8.369 -1.673 303 HB2 ARG 37 1HB ARG 37 -4.031 -8.997 -3.647 304 HB3 ARG 37 2HB ARG 37 -5.272 -10.132 -4.142 305 HG2 ARG 37 1HG ARG 37 -5.925 -7.205 -3.967 306 HG3 ARG 37 2HG ARG 37 -4.980 -7.807 -5.330 307 HD2 ARG 37 1HD ARG 37 -7.723 -8.866 -4.560 308 HD3 ARG 37 2HD ARG 37 -7.428 -7.600 -5.738 309 HE ARG 37 HE ARG 37 -6.107 -9.241 -7.045 310 HH11 ARG 37 1HH1 ARG 37 -8.433 -10.733 -4.684 311 HH12 ARG 37 2HH1 ARG 37 -9.050 -11.806 -5.845 312 HH21 ARG 37 1HH2 ARG 37 -7.180 -10.684 -8.583 313 HH22 ARG 37 2HH2 ARG 37 -8.268 -11.888 -7.924 314 H SER 38 H SER 38 -7.235 -11.179 -1.482 315 HA SER 38 HA SER 38 -9.650 -9.482 -1.751 316 HB2 SER 38 1HB SER 38 -9.228 -12.471 -1.756 317 HB3 SER 38 2HB SER 38 -10.817 -11.739 -1.465 318 HG SER 38 HG SER 38 -10.992 -11.239 -3.441 319 H GLN 39 H GLN 39 -7.455 -10.216 0.727 320 HA GLN 39 HA GLN 39 -9.216 -10.919 2.903 321 HB2 GLN 39 1HB GLN 39 -6.536 -9.558 2.750 322 HB3 GLN 39 2HB GLN 39 -7.434 -9.517 4.241 323 HG2 GLN 39 1HG GLN 39 -6.980 -12.150 2.799 324 HG3 GLN 39 2HG GLN 39 -5.770 -11.434 3.834 325 HE21 GLN 39 1HE2 GLN 39 -6.589 -13.878 4.573 326 HE22 GLN 39 2HE2 GLN 39 -7.712 -13.817 5.951 327 H ILE 40 H ILE 40 -7.818 -7.767 2.050 328 HA ILE 40 HA ILE 40 -9.557 -6.273 3.679 329 HB ILE 40 HB ILE 40 -8.003 -5.387 1.208 330 HG12 ILE 40 1HG1 ILE 40 -6.574 -4.603 3.488 331 HG13 ILE 40 2HG1 ILE 40 -7.148 -6.171 3.966 332 HG21 ILE 40 1HG2 ILE 40 -9.726 -3.741 2.133 333 HG22 ILE 40 2HG2 ILE 40 -8.783 -3.733 3.639 334 HG23 ILE 40 3HG2 ILE 40 -8.081 -3.150 2.119 335 HD11 ILE 40 3HD1 ILE 40 -5.562 -5.569 1.421 336 HD12 ILE 40 1HD1 ILE 40 -4.923 -6.316 2.891 337 HD13 ILE 40 2HD1 ILE 40 -6.109 -7.184 1.905 338 H ALA 41 H ALA 41 -9.916 -7.282 0.267 339 HA ALA 41 HA ALA 41 -12.104 -5.580 -0.379 340 HB1 ALA 41 1HB ALA 41 -12.584 -7.064 -2.210 341 HB2 ALA 41 2HB ALA 41 -10.836 -6.865 -2.071 342 HB3 ALA 41 3HB ALA 41 -11.600 -8.370 -1.491 343 H HIS 42 H HIS 42 -12.060 -8.777 1.345 344 HA HIS 42 HA HIS 42 -15.013 -8.628 1.474 345 HB2 HIS 42 1HB HIS 42 -13.622 -10.733 0.927 346 HB3 HIS 42 2HB HIS 42 -13.218 -10.780 2.631 347 HD1 HIS 42 1HD HIS 42 -14.547 -13.221 2.261 348 HD2 HIS 42 2HD HIS 42 -16.827 -9.692 2.141 349 HE1 HIS 42 1HE HIS 42 -16.967 -13.924 2.591 350 H ALA 43 H ALA 43 -12.666 -7.036 3.266 351 HA ALA 43 HA ALA 43 -13.479 -7.981 5.917 352 HB1 ALA 43 1HB ALA 43 -11.108 -7.509 5.607 353 HB2 ALA 43 2HB ALA 43 -11.464 -5.912 4.899 354 HB3 ALA 43 3HB ALA 43 -11.809 -6.229 6.612 355 H LEU 44 H LEU 44 -13.192 -4.823 4.078 356 HA LEU 44 HA LEU 44 -15.019 -3.831 6.032 357 HB2 LEU 44 1HB LEU 44 -13.324 -2.380 3.977 358 HB3 LEU 44 2HB LEU 44 -14.074 -1.666 5.369 359 HG LEU 44 HG LEU 44 -11.973 -1.768 5.937 360 HD11 LEU 44 1HD1 LEU 44 -11.607 -3.174 7.758 361 HD12 LEU 44 2HD1 LEU 44 -12.812 -4.326 7.182 362 HD13 LEU 44 3HD1 LEU 44 -13.320 -2.682 7.675 363 HD21 LEU 44 3HD2 LEU 44 -11.493 -3.873 4.110 364 HD22 LEU 44 1HD2 LEU 44 -10.541 -4.026 5.620 365 HD23 LEU 44 2HD2 LEU 44 -10.494 -2.539 4.667 366 H LYS 45 H LYS 45 -14.671 -2.480 2.829 367 HA LYS 45 HA LYS 45 -17.403 -2.549 1.913 368 HB2 LYS 45 1HB LYS 45 -16.348 0.117 3.055 369 HB3 LYS 45 2HB LYS 45 -17.870 -0.199 2.280 370 HG2 LYS 45 1HG LYS 45 -18.550 -0.103 4.364 371 HG3 LYS 45 2HG LYS 45 -18.162 -1.814 4.339 372 HD2 LYS 45 1HD LYS 45 -16.115 -1.436 5.652 373 HD3 LYS 45 2HD LYS 45 -16.184 0.299 5.300 374 HE2 LYS 45 1HE LYS 45 -16.908 -0.109 7.540 375 HE3 LYS 45 2HE LYS 45 -18.264 0.429 6.494 376 HZ1 LYS 45 3HZ LYS 45 -19.130 -1.805 6.542 377 HZ2 LYS 45 1HZ LYS 45 -18.697 -1.500 8.072 378 HZ3 LYS 45 2HZ LYS 45 -17.759 -2.437 7.171 379 H LEU 46 H LEU 46 -14.351 -2.717 0.981 380 HA LEU 46 HA LEU 46 -13.972 -0.331 -0.676 381 HB2 LEU 46 1HB LEU 46 -12.396 -2.934 -0.400 382 HB3 LEU 46 2HB LEU 46 -11.981 -1.652 -1.512 383 HG LEU 46 HG LEU 46 -11.755 -0.051 0.435 384 HD11 LEU 46 1HD1 LEU 46 -12.884 -1.183 2.198 385 HD12 LEU 46 2HD1 LEU 46 -11.172 -1.239 2.616 386 HD13 LEU 46 3HD1 LEU 46 -11.928 -2.675 1.940 387 HD21 LEU 46 3HD2 LEU 46 -9.772 -0.943 -0.649 388 HD22 LEU 46 1HD2 LEU 46 -9.899 -2.460 0.255 389 HD23 LEU 46 2HD2 LEU 46 -9.506 -0.932 1.078 390 H SER 47 H SER 47 -13.283 -0.963 -3.102 391 HA SER 47 HA SER 47 -15.109 -3.026 -4.219 392 HB2 SER 47 1HB SER 47 -15.802 -0.730 -4.915 393 HB3 SER 47 2HB SER 47 -14.192 -0.459 -5.573 394 HG SER 47 HG SER 47 -15.315 -1.141 -7.284 395 H GLU 48 H GLU 48 -13.865 -4.689 -4.874 396 HA GLU 48 HA GLU 48 -11.202 -5.145 -4.923 397 HB2 GLU 48 1HB GLU 48 -13.287 -5.964 -6.981 398 HB3 GLU 48 2HB GLU 48 -11.720 -6.734 -6.857 399 HG2 GLU 48 1HG GLU 48 -12.270 -7.629 -4.648 400 HG3 GLU 48 2HG GLU 48 -13.763 -6.691 -4.597 401 H VAL 49 H VAL 49 -13.046 -3.696 -7.559 402 HA VAL 49 HA VAL 49 -10.978 -3.428 -9.475 403 HB VAL 49 HB VAL 49 -13.633 -1.947 -9.062 404 HG11 VAL 49 1HG1 VAL 49 -12.454 -0.678 -10.666 405 HG12 VAL 49 2HG1 VAL 49 -11.864 -2.130 -11.528 406 HG13 VAL 49 3HG1 VAL 49 -13.581 -1.670 -11.584 407 HG21 VAL 49 3HG2 VAL 49 -12.966 -4.461 -10.617 408 HG22 VAL 49 1HG2 VAL 49 -14.019 -4.356 -9.192 409 HG23 VAL 49 2HG2 VAL 49 -14.526 -3.616 -10.704 410 H GLN 50 H GLN 50 -11.714 -1.478 -6.677 411 HA GLN 50 HA GLN 50 -9.991 0.741 -7.534 412 HB2 GLN 50 1HB GLN 50 -12.239 0.419 -5.821 413 HB3 GLN 50 2HB GLN 50 -10.902 0.686 -4.736 414 HG2 GLN 50 1HG GLN 50 -11.625 2.406 -7.126 415 HG3 GLN 50 2HG GLN 50 -12.128 2.735 -5.437 416 HE21 GLN 50 1HE2 GLN 50 -10.220 2.754 -3.811 417 HE22 GLN 50 2HE2 GLN 50 -8.699 3.373 -4.409 418 H VAL 51 H VAL 51 -10.006 -2.097 -5.283 419 HA VAL 51 HA VAL 51 -7.664 -1.446 -3.842 420 HB VAL 51 HB VAL 51 -8.912 -4.130 -4.538 421 HG11 VAL 51 1HG1 VAL 51 -7.624 -5.029 -2.579 422 HG12 VAL 51 2HG1 VAL 51 -6.594 -4.565 -3.924 423 HG13 VAL 51 3HG1 VAL 51 -6.711 -3.504 -2.507 424 HG21 VAL 51 3HG2 VAL 51 -10.301 -2.574 -3.123 425 HG22 VAL 51 1HG2 VAL 51 -9.816 -4.038 -2.266 426 HG23 VAL 51 2HG2 VAL 51 -8.957 -2.515 -1.968 427 H LYS 52 H LYS 52 -8.025 -3.284 -6.908 428 HA LYS 52 HA LYS 52 -5.463 -4.121 -7.283 429 HB2 LYS 52 1HB LYS 52 -6.012 -4.203 -9.632 430 HB3 LYS 52 2HB LYS 52 -7.380 -4.733 -8.645 431 HG2 LYS 52 1HG LYS 52 -8.737 -3.179 -9.389 432 HG3 LYS 52 2HG LYS 52 -7.582 -1.883 -9.141 433 HD2 LYS 52 1HD LYS 52 -8.114 -1.908 -11.472 434 HD3 LYS 52 2HD LYS 52 -6.458 -2.515 -11.292 435 HE2 LYS 52 1HE LYS 52 -7.552 -4.884 -11.253 436 HE3 LYS 52 2HE LYS 52 -9.019 -4.084 -11.817 437 HZ1 LYS 52 3HZ LYS 52 -7.729 -3.272 -13.713 438 HZ2 LYS 52 1HZ LYS 52 -7.728 -4.913 -13.651 439 HZ3 LYS 52 2HZ LYS 52 -6.390 -4.113 -13.154 440 H ILE 53 H ILE 53 -6.401 -0.715 -7.500 441 HA ILE 53 HA ILE 53 -3.925 -0.010 -8.949 442 HB ILE 53 HB ILE 53 -6.163 1.625 -7.811 443 HG12 ILE 53 1HG1 ILE 53 -6.051 1.827 -10.673 444 HG13 ILE 53 2HG1 ILE 53 -5.881 0.121 -10.305 445 HG21 ILE 53 1HG2 ILE 53 -4.255 3.113 -7.928 446 HG22 ILE 53 2HG2 ILE 53 -3.889 2.580 -9.594 447 HG23 ILE 53 3HG2 ILE 53 -5.361 3.514 -9.231 448 HD11 ILE 53 3HD1 ILE 53 -8.130 1.979 -9.443 449 HD12 ILE 53 1HD1 ILE 53 -8.205 0.600 -10.570 450 HD13 ILE 53 2HD1 ILE 53 -7.942 0.318 -8.842 451 H TRP 54 H TRP 54 -4.958 -0.349 -5.581 452 HA TRP 54 HA TRP 54 -3.255 1.626 -4.440 453 HB2 TRP 54 1HB TRP 54 -5.176 0.089 -3.455 454 HB3 TRP 54 2HB TRP 54 -3.860 -1.005 -3.086 455 HD1 TRP 54 HD TRP 54 -5.304 2.430 -2.214 456 HE1 TRP 54 1HE TRP 54 -4.627 3.053 0.175 457 HE3 TRP 54 3HE TRP 54 -1.694 -1.133 -1.429 458 HZ2 TRP 54 2HZ TRP 54 -2.799 2.070 2.217 459 HZ3 TRP 54 3HZ TRP 54 -0.461 -1.182 0.706 460 HH2 TRP 54 HH TRP 54 -1.038 0.375 2.542 461 H PHE 55 H PHE 55 -2.762 -1.664 -5.553 462 HA PHE 55 HA PHE 55 0.011 -1.957 -4.686 463 HB2 PHE 55 1HB PHE 55 -1.208 -3.362 -7.087 464 HB3 PHE 55 2HB PHE 55 0.076 -3.925 -6.029 465 HD1 PHE 55 1HD PHE 55 -0.709 -4.062 -3.397 466 HD2 PHE 55 2HD PHE 55 -3.323 -4.304 -6.828 467 HE1 PHE 55 1HE PHE 55 -2.477 -5.080 -2.013 468 HE2 PHE 55 2HE PHE 55 -5.085 -5.281 -5.437 469 HZ PHE 55 HZ PHE 55 -4.661 -5.670 -2.981 470 H GLN 56 H GLN 56 -1.554 -1.036 -7.828 471 HA GLN 56 HA GLN 56 0.738 -0.412 -9.266 472 HB2 GLN 56 1HB GLN 56 -1.851 -0.607 -9.769 473 HB3 GLN 56 2HB GLN 56 -1.812 1.143 -9.579 474 HG2 GLN 56 1HG GLN 56 -1.015 1.371 -11.655 475 HG3 GLN 56 2HG GLN 56 0.405 0.385 -11.293 476 HE21 GLN 56 1HE2 GLN 56 -3.147 -0.053 -11.909 477 HE22 GLN 56 2HE2 GLN 56 -2.939 -1.389 -12.985 478 H ASN 57 H ASN 57 -0.574 1.291 -6.536 479 HA ASN 57 HA ASN 57 0.988 3.757 -7.134 480 HB2 ASN 57 1HB ASN 57 -0.969 3.091 -4.900 481 HB3 ASN 57 2HB ASN 57 -0.087 4.602 -5.034 482 HD21 ASN 57 1HD2 ASN 57 -0.841 4.047 -8.225 483 HD22 ASN 57 2HD2 ASN 57 -2.398 4.861 -8.230 484 H ARG 58 H ARG 58 1.383 0.779 -5.433 485 HA ARG 58 HA ARG 58 3.596 1.968 -3.821 486 HB2 ARG 58 1HB ARG 58 2.275 -0.776 -3.829 487 HB3 ARG 58 2HB ARG 58 3.767 -0.451 -2.980 488 HG2 ARG 58 1HG ARG 58 1.064 0.824 -2.418 489 HG3 ARG 58 2HG ARG 58 1.923 -0.362 -1.445 490 HD2 ARG 58 1HD ARG 58 3.807 1.442 -1.271 491 HD3 ARG 58 2HD ARG 58 2.564 2.582 -1.810 492 HE ARG 58 HE ARG 58 2.421 0.826 0.617 493 HH11 ARG 58 1HH1 ARG 58 2.197 4.196 -0.496 494 HH12 ARG 58 2HH1 ARG 58 1.013 4.644 0.677 495 HH21 ARG 58 1HH2 ARG 58 1.196 1.544 2.423 496 HH22 ARG 58 2HH2 ARG 58 0.856 3.199 2.598 497 H ARG 59 H ARG 59 3.028 0.592 -6.893 498 HA ARG 59 HA ARG 59 5.132 -1.155 -7.385 499 HB2 ARG 59 1HB ARG 59 3.685 0.887 -9.082 500 HB3 ARG 59 2HB ARG 59 5.104 0.129 -9.765 501 HG2 ARG 59 1HG ARG 59 2.797 -1.506 -8.659 502 HG3 ARG 59 2HG ARG 59 2.856 -0.883 -10.302 503 HD2 ARG 59 1HD ARG 59 5.376 -2.128 -9.974 504 HD3 ARG 59 2HD ARG 59 4.230 -3.212 -9.156 505 HE ARG 59 HE ARG 59 3.361 -2.223 -11.774 506 HH11 ARG 59 1HH1 ARG 59 5.422 -4.794 -10.408 507 HH12 ARG 59 2HH1 ARG 59 4.939 -5.941 -11.617 508 HH21 ARG 59 1HH2 ARG 59 2.823 -3.623 -13.295 509 HH22 ARG 59 2HH2 ARG 59 3.387 -5.278 -13.312 510 H ALA 60 H ALA 60 5.335 2.412 -7.352 511 HA ALA 60 HA ALA 60 8.136 2.227 -8.304 512 HB1 ALA 60 1HB ALA 60 6.427 4.691 -7.955 513 HB2 ALA 60 2HB ALA 60 7.965 4.569 -8.818 514 HB3 ALA 60 3HB ALA 60 6.530 3.746 -9.465 515 H LYS 61 H LYS 61 6.738 2.085 -5.300 516 HA LYS 61 HA LYS 61 7.896 4.148 -3.795 517 HB2 LYS 61 1HB LYS 61 6.132 2.702 -3.036 518 HB3 LYS 61 2HB LYS 61 7.156 1.288 -3.096 519 HG2 LYS 61 1HG LYS 61 7.757 3.678 -1.274 520 HG3 LYS 61 2HG LYS 61 6.587 2.443 -0.809 521 HD2 LYS 61 1HD LYS 61 8.275 0.697 -0.851 522 HD3 LYS 61 2HD LYS 61 9.483 1.829 -1.457 523 HE2 LYS 61 1HE LYS 61 10.054 1.725 0.734 524 HE3 LYS 61 2HE LYS 61 9.086 3.197 0.698 525 HZ1 LYS 61 3HZ LYS 61 8.789 1.355 2.466 526 HZ2 LYS 61 1HZ LYS 61 7.801 0.629 1.401 527 HZ3 LYS 61 2HZ LYS 61 7.475 2.171 1.976 528 H TRP 62 H TRP 62 9.307 0.858 -4.347 529 HA TRP 62 HA TRP 62 11.791 1.682 -3.151 530 HB2 TRP 62 1HB TRP 62 11.523 -0.666 -5.022 531 HB3 TRP 62 2HB TRP 62 12.605 -0.462 -3.645 532 HD1 TRP 62 HD TRP 62 11.432 -0.724 -1.155 533 HE1 TRP 62 1HE TRP 62 9.287 -1.761 -0.361 534 HE3 TRP 62 3HE TRP 62 9.197 -1.300 -5.711 535 HZ2 TRP 62 2HZ TRP 62 6.717 -2.642 -1.612 536 HZ3 TRP 62 3HZ TRP 62 6.930 -2.139 -5.910 537 HH2 TRP 62 HH TRP 62 5.640 -2.824 -3.855 538 H LYS 63 H LYS 63 10.549 2.023 -6.477 539 HA LYS 63 HA LYS 63 13.120 2.397 -7.727 540 HB2 LYS 63 1HB LYS 63 10.230 2.934 -8.436 541 HB3 LYS 63 2HB LYS 63 11.474 3.859 -9.214 542 HG2 LYS 63 1HG LYS 63 11.286 2.245 -10.703 543 HG3 LYS 63 2HG LYS 63 12.611 1.593 -9.783 544 HD2 LYS 63 1HD LYS 63 11.265 -0.129 -8.845 545 HD3 LYS 63 2HD LYS 63 9.735 0.694 -9.225 546 HE2 LYS 63 1HE LYS 63 10.072 0.448 -11.606 547 HE3 LYS 63 2HE LYS 63 11.731 -0.113 -11.389 548 HZ1 LYS 63 3HZ LYS 63 9.373 -1.641 -10.464 549 HZ2 LYS 63 1HZ LYS 63 10.926 -2.144 -10.467 550 HZ3 LYS 63 2HZ LYS 63 10.158 -1.890 -11.893 551 H ARG 64 H ARG 64 10.704 4.697 -6.266 552 HA ARG 64 HA ARG 64 12.282 6.963 -6.817 553 HB2 ARG 64 1HB ARG 64 10.796 8.253 -5.893 554 HB3 ARG 64 2HB ARG 64 9.821 6.804 -6.095 555 HG2 ARG 64 1HG ARG 64 9.322 7.124 -3.918 556 HG3 ARG 64 2HG ARG 64 10.875 6.291 -3.739 557 HD2 ARG 64 1HD ARG 64 11.950 8.658 -3.687 558 HD3 ARG 64 2HD ARG 64 10.308 9.278 -3.543 559 HE ARG 64 HE ARG 64 11.517 7.353 -1.603 560 HH11 ARG 64 1HH1 ARG 64 9.998 10.584 -2.073 561 HH12 ARG 64 2HH1 ARG 64 9.804 10.861 -0.402 562 HH21 ARG 64 1HH2 ARG 64 11.426 7.905 0.661 563 HH22 ARG 64 2HH2 ARG 64 10.496 9.245 1.151 564 H ILE 65 H ILE 65 12.567 4.704 -4.201 565 HA ILE 65 HA ILE 65 14.501 6.248 -2.697 566 HB ILE 65 HB ILE 65 13.630 3.338 -2.629 567 HG12 ILE 65 1HG1 ILE 65 13.095 5.615 -0.654 568 HG13 ILE 65 2HG1 ILE 65 11.993 5.228 -1.972 569 HG21 ILE 65 1HG2 ILE 65 14.820 3.137 -0.485 570 HG22 ILE 65 2HG2 ILE 65 15.967 3.553 -1.757 571 HG23 ILE 65 3HG2 ILE 65 15.417 4.805 -0.632 572 HD11 ILE 65 3HD1 ILE 65 12.716 3.383 0.299 573 HD12 ILE 65 1HD1 ILE 65 11.172 4.197 0.012 574 HD13 ILE 65 2HD1 ILE 65 11.726 2.927 -1.105 575 H LYS 66 H LYS 66 14.763 3.244 -4.679 576 HA LYS 66 HA LYS 66 17.617 3.335 -4.762 577 HB2 LYS 66 1HB LYS 66 15.880 1.358 -4.718 578 HB3 LYS 66 2HB LYS 66 15.844 1.542 -6.457 579 HG2 LYS 66 1HG LYS 66 18.606 1.403 -5.353 580 HG3 LYS 66 2HG LYS 66 17.610 0.043 -4.859 581 HD2 LYS 66 1HD LYS 66 17.020 -0.229 -7.376 582 HD3 LYS 66 2HD LYS 66 18.421 0.810 -7.673 583 HE2 LYS 66 1HE LYS 66 18.385 -1.817 -6.102 584 HE3 LYS 66 2HE LYS 66 18.989 -1.612 -7.750 585 HZ1 LYS 66 3HZ LYS 66 20.173 -0.201 -5.425 586 HZ2 LYS 66 1HZ LYS 66 20.740 -0.254 -6.946 587 HZ3 LYS 66 2HZ LYS 66 20.730 -1.614 -6.063 588 H ALA 67 H ALA 67 16.618 5.715 -5.951 589 HA ALA 67 HA ALA 67 17.172 5.635 -8.839 590 HB1 ALA 67 1HB ALA 67 17.069 7.971 -6.889 591 HB2 ALA 67 2HB ALA 67 17.001 8.034 -8.663 592 HB3 ALA 67 3HB ALA 67 15.650 7.345 -7.754 593 H GLY 68 H GLY 68 18.886 7.469 -9.279 594 HA2 GLY 68 1HA GLY 68 21.054 8.269 -8.916 595 HA3 GLY 68 2HA GLY 68 21.349 6.952 -7.751 596 H ASN 69 H ASN 69 23.367 7.131 -9.266 597 HA ASN 69 HA ASN 69 23.265 5.242 -11.516 598 HB2 ASN 69 1HB ASN 69 24.524 6.972 -12.874 599 HB3 ASN 69 2HB ASN 69 22.828 7.330 -12.626 600 HD21 ASN 69 1HD2 ASN 69 26.111 8.550 -12.088 601 HD22 ASN 69 2HD2 ASN 69 25.553 10.063 -11.431 602 H VAL 70 H VAL 70 25.525 4.830 -12.292 603 HA VAL 70 HA VAL 70 27.455 4.450 -10.230 604 HB VAL 70 HB VAL 70 27.238 3.160 -12.340 605 HG11 VAL 70 1HG1 VAL 70 28.214 3.945 -14.434 606 HG12 VAL 70 2HG1 VAL 70 26.879 5.008 -13.955 607 HG13 VAL 70 3HG1 VAL 70 28.561 5.526 -13.716 608 HG21 VAL 70 3HG2 VAL 70 29.290 3.041 -10.967 609 HG22 VAL 70 1HG2 VAL 70 29.585 2.746 -12.691 610 HG23 VAL 70 2HG2 VAL 70 30.022 4.303 -11.986 611 H SER 71 H SER 71 29.637 5.587 -10.222 612 HA SER 71 HA SER 71 29.292 8.522 -10.352 613 HB2 SER 71 1HB SER 71 31.626 6.842 -9.366 614 HB3 SER 71 2HB SER 71 31.357 8.571 -9.115 615 HG SER 71 HG SER 71 30.788 7.353 -7.270 Start of MODEL 11 1 H1 SER 1 H SER 1 3.251 0.396 5.732 2 HA SER 1 HA SER 1 6.072 -0.420 5.411 3 HB2 SER 1 1HB SER 1 4.064 0.153 3.208 4 HB3 SER 1 2HB SER 1 5.782 -0.233 3.011 5 HG SER 1 HG SER 1 5.472 -2.240 3.724 6 H ALA 2 H ALA 2 4.181 2.348 6.217 7 HA ALA 2 HA ALA 2 4.772 4.500 6.374 8 HB1 ALA 2 1HB ALA 2 7.197 2.955 7.336 9 HB2 ALA 2 2HB ALA 2 6.694 4.571 7.865 10 HB3 ALA 2 3HB ALA 2 5.673 3.179 8.220 11 HA PRO 3 HA PRO 3 7.645 4.925 2.678 12 HB2 PRO 3 1HB PRO 3 6.071 6.230 0.894 13 HB3 PRO 3 2HB PRO 3 5.993 4.455 1.083 14 HG2 PRO 3 1HG PRO 3 4.183 6.528 2.354 15 HG3 PRO 3 2HG PRO 3 3.710 5.059 1.468 16 HD2 PRO 3 1HD PRO 3 3.850 5.105 4.177 17 HD3 PRO 3 2HD PRO 3 4.349 3.655 3.257 18 H GLY 4 H GLY 4 8.909 6.772 2.351 19 HA2 GLY 4 1HA GLY 4 7.823 9.423 3.236 20 HA3 GLY 4 2HA GLY 4 9.484 8.899 3.568 21 H GLY 5 H GLY 5 9.096 11.219 2.145 22 HA2 GLY 5 1HA GLY 5 10.297 12.040 0.262 23 HA3 GLY 5 2HA GLY 5 9.850 10.597 -0.666 24 H LYS 6 H LYS 6 9.251 13.558 -1.026 25 HA LYS 6 HA LYS 6 6.438 13.931 -0.309 26 HB2 LYS 6 1HB LYS 6 8.421 15.664 -1.864 27 HB3 LYS 6 2HB LYS 6 6.728 16.080 -1.604 28 HG2 LYS 6 1HG LYS 6 7.713 17.247 0.066 29 HG3 LYS 6 2HG LYS 6 7.131 15.817 0.879 30 HD2 LYS 6 1HD LYS 6 9.133 15.405 1.713 31 HD3 LYS 6 2HD LYS 6 9.873 15.307 0.121 32 HE2 LYS 6 1HE LYS 6 9.354 17.924 1.623 33 HE3 LYS 6 2HE LYS 6 10.866 17.009 1.708 34 HZ1 LYS 6 3HZ LYS 6 11.177 17.326 -0.607 35 HZ2 LYS 6 1HZ LYS 6 11.015 18.755 0.151 36 HZ3 LYS 6 2HZ LYS 6 9.754 18.206 -0.747 37 H SER 7 H SER 7 5.731 11.936 -1.486 38 HA SER 7 HA SER 7 4.502 12.753 -4.006 39 HB2 SER 7 1HB SER 7 6.751 11.858 -4.693 40 HB3 SER 7 2HB SER 7 6.351 10.314 -3.934 41 HG SER 7 HG SER 7 5.862 11.088 -6.365 42 H ARG 8 H ARG 8 2.410 12.045 -3.803 43 HA ARG 8 HA ARG 8 1.801 9.584 -2.263 44 HB2 ARG 8 1HB ARG 8 1.514 11.700 -0.870 45 HB3 ARG 8 2HB ARG 8 0.247 12.184 -1.964 46 HG2 ARG 8 1HG ARG 8 -0.883 9.967 -1.418 47 HG3 ARG 8 2HG ARG 8 0.331 9.705 -0.174 48 HD2 ARG 8 1HD ARG 8 -1.562 12.051 -0.426 49 HD3 ARG 8 2HD ARG 8 -1.816 10.697 0.669 50 HE ARG 8 HE ARG 8 -0.198 13.045 1.082 51 HH11 ARG 8 1HH1 ARG 8 -0.224 9.644 2.176 52 HH12 ARG 8 2HH1 ARG 8 0.341 10.087 3.749 53 HH21 ARG 8 1HH2 ARG 8 0.527 13.521 3.065 54 HH22 ARG 8 2HH2 ARG 8 0.483 12.366 4.348 55 H ARG 9 H ARG 9 1.826 8.951 -4.669 56 HA ARG 9 HA ARG 9 -0.477 9.812 -6.270 57 HB2 ARG 9 1HB ARG 9 1.129 7.215 -6.537 58 HB3 ARG 9 2HB ARG 9 -0.074 7.841 -7.650 59 HG2 ARG 9 1HG ARG 9 1.613 10.010 -7.508 60 HG3 ARG 9 2HG ARG 9 2.751 8.683 -7.257 61 HD2 ARG 9 1HD ARG 9 0.894 9.163 -9.618 62 HD3 ARG 9 2HD ARG 9 2.644 9.214 -9.616 63 HE ARG 9 HE ARG 9 0.905 6.934 -9.931 64 HH11 ARG 9 1HH1 ARG 9 4.201 7.780 -8.914 65 HH12 ARG 9 2HH1 ARG 9 4.873 6.259 -9.462 66 HH21 ARG 9 1HH2 ARG 9 1.766 5.001 -10.574 67 HH22 ARG 9 2HH2 ARG 9 3.409 4.548 -10.235 68 H ARG 10 H ARG 10 -2.336 9.710 -5.043 69 HA ARG 10 HA ARG 10 -3.288 7.045 -4.145 70 HB2 ARG 10 1HB ARG 10 -2.222 8.594 -2.460 71 HB3 ARG 10 2HB ARG 10 -3.526 9.741 -2.697 72 HG2 ARG 10 1HG ARG 10 -5.073 8.400 -1.593 73 HG3 ARG 10 2HG ARG 10 -4.263 6.908 -2.046 74 HD2 ARG 10 1HD ARG 10 -2.813 6.922 -0.273 75 HD3 ARG 10 2HD ARG 10 -2.652 8.685 -0.288 76 HE ARG 10 HE ARG 10 -5.072 8.605 0.617 77 HH11 ARG 10 1HH1 ARG 10 -2.289 6.595 1.740 78 HH12 ARG 10 2HH1 ARG 10 -2.805 6.706 3.394 79 HH21 ARG 10 1HH2 ARG 10 -5.840 8.401 2.738 80 HH22 ARG 10 2HH2 ARG 10 -4.833 7.764 3.967 81 H ARG 11 H ARG 11 -4.177 7.459 -6.491 82 HA ARG 11 HA ARG 11 -6.422 9.167 -6.825 83 HB2 ARG 11 1HB ARG 11 -6.678 8.189 -8.961 84 HB3 ARG 11 2HB ARG 11 -4.977 8.473 -8.548 85 HG2 ARG 11 1HG ARG 11 -4.813 6.083 -7.847 86 HG3 ARG 11 2HG ARG 11 -6.431 5.824 -8.435 87 HD2 ARG 11 1HD ARG 11 -4.484 7.066 -10.366 88 HD3 ARG 11 2HD ARG 11 -4.208 5.378 -9.932 89 HE ARG 11 HE ARG 11 -6.577 4.917 -10.602 90 HH11 ARG 11 1HH1 ARG 11 -5.505 8.037 -11.866 91 HH12 ARG 11 2HH1 ARG 11 -6.080 7.713 -13.479 92 HH21 ARG 11 1HH2 ARG 11 -7.254 4.475 -12.765 93 HH22 ARG 11 2HH2 ARG 11 -7.291 5.772 -13.909 94 H THR 12 H THR 12 -6.941 7.735 -4.513 95 HA THR 12 HA THR 12 -9.412 6.216 -5.299 96 HB THR 12 HB THR 12 -7.515 4.690 -4.735 97 HG1 THR 12 1HG THR 12 -8.946 3.411 -4.157 98 HG21 THR 12 3HG2 THR 12 -7.964 5.605 -1.871 99 HG22 THR 12 1HG2 THR 12 -6.515 5.952 -2.825 100 HG23 THR 12 2HG2 THR 12 -6.942 4.263 -2.435 101 H ALA 13 H ALA 13 -10.919 5.900 -3.563 102 HA ALA 13 HA ALA 13 -11.164 8.255 -1.758 103 HB1 ALA 13 1HB ALA 13 -12.777 8.272 -3.599 104 HB2 ALA 13 2HB ALA 13 -13.304 6.614 -3.189 105 HB3 ALA 13 3HB ALA 13 -13.608 7.954 -2.070 106 H PHE 14 H PHE 14 -9.838 5.602 -1.227 107 HA PHE 14 HA PHE 14 -11.602 4.339 0.779 108 HB2 PHE 14 1HB PHE 14 -8.611 4.074 0.328 109 HB3 PHE 14 2HB PHE 14 -9.582 3.112 1.440 110 HD1 PHE 14 2HD PHE 14 -11.984 2.501 -0.451 111 HD2 PHE 14 1HD PHE 14 -7.708 2.282 -0.869 112 HE1 PHE 14 2HE PHE 14 -12.254 0.657 -2.044 113 HE2 PHE 14 1HE PHE 14 -7.966 0.386 -2.473 114 HZ PHE 14 HZ PHE 14 -10.257 -0.458 -2.999 115 H THR 15 H THR 15 -11.396 4.657 2.971 116 HA THR 15 HA THR 15 -10.391 7.266 3.829 117 HB THR 15 HB THR 15 -12.439 7.338 4.607 118 HG1 THR 15 1HG THR 15 -12.965 6.375 6.533 119 HG21 THR 15 3HG2 THR 15 -13.300 5.489 3.234 120 HG22 THR 15 1HG2 THR 15 -14.084 5.543 4.762 121 HG23 THR 15 2HG2 THR 15 -12.800 4.338 4.533 122 H SER 16 H SER 16 -9.399 7.405 5.961 123 HA SER 16 HA SER 16 -7.223 5.645 6.453 124 HB2 SER 16 1HB SER 16 -7.302 7.988 7.116 125 HB3 SER 16 2HB SER 16 -8.644 7.664 8.219 126 HG SER 16 HG SER 16 -7.355 6.843 9.649 127 H GLU 17 H GLU 17 -10.724 5.409 7.396 128 HA GLU 17 HA GLU 17 -10.172 3.524 9.540 129 HB2 GLU 17 1HB GLU 17 -12.585 4.493 7.992 130 HB3 GLU 17 2HB GLU 17 -12.705 3.061 8.991 131 HG2 GLU 17 1HG GLU 17 -11.869 4.314 10.956 132 HG3 GLU 17 2HG GLU 17 -11.776 5.772 9.964 133 H GLN 18 H GLN 18 -10.286 3.367 6.078 134 HA GLN 18 HA GLN 18 -10.697 0.420 6.075 135 HB2 GLN 18 1HB GLN 18 -11.091 2.675 4.081 136 HB3 GLN 18 2HB GLN 18 -10.765 1.072 3.472 137 HG2 GLN 18 1HG GLN 18 -12.672 0.125 4.641 138 HG3 GLN 18 2HG GLN 18 -12.893 1.576 5.594 139 HE21 GLN 18 1HE2 GLN 18 -12.846 0.686 2.020 140 HE22 GLN 18 2HE2 GLN 18 -14.230 1.700 1.696 141 H LEU 19 H LEU 19 -8.215 2.755 5.931 142 HA LEU 19 HA LEU 19 -6.325 1.000 4.482 143 HB2 LEU 19 1HB LEU 19 -6.340 3.806 5.530 144 HB3 LEU 19 2HB LEU 19 -4.787 3.003 5.367 145 HG LEU 19 HG LEU 19 -4.900 2.806 3.063 146 HD11 LEU 19 1HD1 LEU 19 -7.842 3.566 3.024 147 HD12 LEU 19 2HD1 LEU 19 -7.205 1.947 2.698 148 HD13 LEU 19 3HD1 LEU 19 -6.815 3.279 1.616 149 HD21 LEU 19 3HD2 LEU 19 -4.639 5.148 3.870 150 HD22 LEU 19 1HD2 LEU 19 -6.368 5.413 3.696 151 HD23 LEU 19 2HD2 LEU 19 -5.368 5.092 2.255 152 H LEU 20 H LEU 20 -7.468 1.080 7.696 153 HA LEU 20 HA LEU 20 -5.125 0.791 9.182 154 HB2 LEU 20 1HB LEU 20 -7.868 0.836 9.667 155 HB3 LEU 20 2HB LEU 20 -7.490 -0.814 10.094 156 HG LEU 20 HG LEU 20 -5.853 1.517 11.130 157 HD11 LEU 20 1HD1 LEU 20 -8.185 1.927 11.765 158 HD12 LEU 20 2HD1 LEU 20 -7.221 1.471 13.173 159 HD13 LEU 20 3HD1 LEU 20 -8.314 0.283 12.427 160 HD21 LEU 20 3HD2 LEU 20 -5.272 -0.057 12.947 161 HD22 LEU 20 1HD2 LEU 20 -4.860 -0.768 11.389 162 HD23 LEU 20 2HD2 LEU 20 -6.322 -1.299 12.241 163 H GLU 21 H GLU 21 -7.324 -1.749 8.048 164 HA GLU 21 HA GLU 21 -5.734 -3.982 8.733 165 HB2 GLU 21 1HB GLU 21 -7.914 -3.604 6.662 166 HB3 GLU 21 2HB GLU 21 -7.291 -5.168 7.146 167 HG2 GLU 21 1HG GLU 21 -8.273 -3.421 9.409 168 HG3 GLU 21 2HG GLU 21 -9.478 -3.951 8.262 169 H LEU 22 H LEU 22 -5.840 -1.972 5.846 170 HA LEU 22 HA LEU 22 -4.382 -3.676 4.043 171 HB2 LEU 22 1HB LEU 22 -5.038 -0.731 4.218 172 HB3 LEU 22 2HB LEU 22 -3.767 -1.196 3.116 173 HG LEU 22 HG LEU 22 -6.480 -2.500 3.103 174 HD11 LEU 22 1HD1 LEU 22 -5.596 0.036 1.731 175 HD12 LEU 22 2HD1 LEU 22 -7.063 -0.299 2.672 176 HD13 LEU 22 3HD1 LEU 22 -6.880 -0.976 1.052 177 HD21 LEU 22 3HD2 LEU 22 -4.357 -2.258 0.911 178 HD22 LEU 22 1HD2 LEU 22 -5.892 -3.133 0.776 179 HD23 LEU 22 2HD2 LEU 22 -4.639 -3.715 1.879 180 H GLU 23 H GLU 23 -3.428 -1.068 6.246 181 HA GLU 23 HA GLU 23 -0.583 -1.348 5.614 182 HB2 GLU 23 1HB GLU 23 -2.021 0.083 7.881 183 HB3 GLU 23 2HB GLU 23 -0.265 -0.106 7.786 184 HG2 GLU 23 1HG GLU 23 -0.522 0.879 5.352 185 HG3 GLU 23 2HG GLU 23 -2.091 1.439 5.909 186 H LYS 24 H LYS 24 -2.766 -2.742 7.994 187 HA LYS 24 HA LYS 24 -0.806 -4.009 9.605 188 HB2 LYS 24 1HB LYS 24 -3.168 -3.489 10.140 189 HB3 LYS 24 2HB LYS 24 -3.708 -4.744 9.036 190 HG2 LYS 24 1HG LYS 24 -2.939 -6.492 10.490 191 HG3 LYS 24 2HG LYS 24 -1.993 -5.345 11.453 192 HD2 LYS 24 1HD LYS 24 -4.091 -4.137 12.085 193 HD3 LYS 24 2HD LYS 24 -5.045 -5.328 11.212 194 HE2 LYS 24 1HE LYS 24 -3.248 -5.906 13.613 195 HE3 LYS 24 2HE LYS 24 -4.990 -5.619 13.688 196 HZ1 LYS 24 3HZ LYS 24 -4.645 -7.891 13.730 197 HZ2 LYS 24 1HZ LYS 24 -3.634 -7.910 12.437 198 HZ3 LYS 24 2HZ LYS 24 -5.245 -7.580 12.222 199 H GLU 25 H GLU 25 -2.630 -5.203 6.737 200 HA GLU 25 HA GLU 25 -1.258 -7.734 6.485 201 HB2 GLU 25 1HB GLU 25 -3.146 -6.025 4.896 202 HB3 GLU 25 2HB GLU 25 -2.163 -7.104 3.960 203 HG2 GLU 25 1HG GLU 25 -3.456 -8.403 6.313 204 HG3 GLU 25 2HG GLU 25 -4.581 -7.764 5.130 205 H PHE 26 H PHE 26 -0.322 -4.461 5.632 206 HA PHE 26 HA PHE 26 1.887 -5.429 3.905 207 HB2 PHE 26 1HB PHE 26 0.519 -2.842 4.365 208 HB3 PHE 26 2HB PHE 26 2.240 -2.696 4.309 209 HD1 PHE 26 1HD PHE 26 0.549 -5.294 2.189 210 HD2 PHE 26 2HD PHE 26 2.180 -1.294 2.347 211 HE1 PHE 26 1HE PHE 26 0.541 -5.178 -0.260 212 HE2 PHE 26 2HE PHE 26 2.026 -1.139 -0.130 213 HZ PHE 26 HZ PHE 26 1.242 -3.113 -1.435 214 H HIS 27 H HIS 27 1.459 -5.368 7.224 215 HA HIS 27 HA HIS 27 4.148 -4.475 7.892 216 HB2 HIS 27 1HB HIS 27 2.229 -4.557 9.531 217 HB3 HIS 27 2HB HIS 27 2.288 -6.317 9.446 218 HD1 HIS 27 1HD HIS 27 5.720 -4.594 9.541 219 HD2 HIS 27 2HD HIS 27 2.826 -6.258 12.148 220 HE1 HIS 27 1HE HIS 27 6.843 -4.899 11.753 221 H CYS 28 H CYS 28 2.518 -7.668 7.514 222 HA CYS 28 HA CYS 28 4.778 -9.248 8.001 223 HB2 CYS 28 1HB CYS 28 2.295 -9.887 6.302 224 HB3 CYS 28 2HB CYS 28 3.381 -11.050 7.076 225 HG CYS 28 HG CYS 28 1.064 -10.891 8.322 226 H LYS 29 H LYS 29 3.250 -8.266 4.900 227 HA LYS 29 HA LYS 29 5.543 -9.487 3.446 228 HB2 LYS 29 1HB LYS 29 3.939 -10.590 1.979 229 HB3 LYS 29 2HB LYS 29 3.831 -11.104 3.649 230 HG2 LYS 29 1HG LYS 29 1.622 -10.968 3.124 231 HG3 LYS 29 2HG LYS 29 1.851 -9.416 3.884 232 HD2 LYS 29 1HD LYS 29 1.815 -8.255 1.762 233 HD3 LYS 29 2HD LYS 29 2.063 -9.758 0.850 234 HE2 LYS 29 1HE LYS 29 -0.228 -8.990 0.719 235 HE3 LYS 29 2HE LYS 29 -0.072 -10.594 1.419 236 HZ1 LYS 29 3HZ LYS 29 -0.401 -8.178 3.086 237 HZ2 LYS 29 1HZ LYS 29 -0.439 -9.721 3.581 238 HZ3 LYS 29 2HZ LYS 29 -1.660 -9.160 2.639 239 H LYS 30 H LYS 30 5.756 -8.842 1.243 240 HA LYS 30 HA LYS 30 5.579 -5.970 1.345 241 HB2 LYS 30 1HB LYS 30 7.313 -7.979 0.142 242 HB3 LYS 30 2HB LYS 30 6.898 -6.775 -1.080 243 HG2 LYS 30 1HG LYS 30 7.915 -6.142 1.719 244 HG3 LYS 30 2HG LYS 30 8.934 -6.196 0.286 245 HD2 LYS 30 1HD LYS 30 7.651 -4.386 -0.773 246 HD3 LYS 30 2HD LYS 30 6.518 -4.334 0.582 247 HE2 LYS 30 1HE LYS 30 8.462 -3.922 2.147 248 HE3 LYS 30 2HE LYS 30 9.484 -3.761 0.725 249 HZ1 LYS 30 3HZ LYS 30 7.707 -1.998 0.071 250 HZ2 LYS 30 1HZ LYS 30 8.881 -1.619 1.168 251 HZ3 LYS 30 2HZ LYS 30 7.398 -1.997 1.714 252 H TYR 31 H TYR 31 3.651 -8.221 -0.252 253 HA TYR 31 HA TYR 31 3.072 -6.470 -2.557 254 HB2 TYR 31 1HB TYR 31 3.508 -8.613 -3.873 255 HB3 TYR 31 2HB TYR 31 4.879 -7.787 -3.130 256 HD1 TYR 31 2HD TYR 31 2.424 -10.537 -2.023 257 HD2 TYR 31 1HD TYR 31 6.527 -9.149 -2.275 258 HE1 TYR 31 2HE TYR 31 3.194 -12.601 -0.964 259 HE2 TYR 31 1HE TYR 31 7.289 -11.253 -1.236 260 HH TYR 31 HH TYR 31 6.596 -13.521 -0.768 261 H LEU 32 H LEU 32 1.403 -8.342 -3.908 262 HA LEU 32 HA LEU 32 -0.628 -9.128 -1.986 263 HB2 LEU 32 1HB LEU 32 -0.775 -6.565 -3.125 264 HB3 LEU 32 2HB LEU 32 -1.841 -7.546 -4.128 265 HG LEU 32 HG LEU 32 -3.113 -8.236 -2.212 266 HD11 LEU 32 1HD1 LEU 32 -1.504 -8.085 -0.360 267 HD12 LEU 32 2HD1 LEU 32 -2.910 -7.094 -0.010 268 HD13 LEU 32 3HD1 LEU 32 -1.399 -6.331 -0.554 269 HD21 LEU 32 3HD2 LEU 32 -4.189 -6.030 -1.790 270 HD22 LEU 32 1HD2 LEU 32 -3.690 -6.150 -3.489 271 HD23 LEU 32 2HD2 LEU 32 -2.729 -5.203 -2.343 272 H SER 33 H SER 33 -0.043 -11.033 -2.665 273 HA SER 33 HA SER 33 0.177 -11.940 -5.430 274 HB2 SER 33 1HB SER 33 1.584 -12.682 -3.352 275 HB3 SER 33 2HB SER 33 0.253 -13.801 -3.044 276 HG SER 33 HG SER 33 1.504 -14.905 -4.371 277 H LEU 34 H LEU 34 -1.940 -11.256 -5.890 278 HA LEU 34 HA LEU 34 -4.104 -11.148 -6.137 279 HB2 LEU 34 1HB LEU 34 -3.548 -13.235 -7.459 280 HB3 LEU 34 2HB LEU 34 -4.296 -14.126 -6.148 281 HG LEU 34 HG LEU 34 -5.858 -13.813 -7.949 282 HD11 LEU 34 1HD1 LEU 34 -6.901 -13.716 -5.704 283 HD12 LEU 34 2HD1 LEU 34 -7.777 -12.747 -6.894 284 HD13 LEU 34 3HD1 LEU 34 -6.771 -11.941 -5.711 285 HD21 LEU 34 3HD2 LEU 34 -6.590 -11.768 -8.867 286 HD22 LEU 34 1HD2 LEU 34 -4.819 -11.662 -8.834 287 HD23 LEU 34 2HD2 LEU 34 -5.793 -10.804 -7.614 288 H THR 35 H THR 35 -4.424 -14.089 -4.119 289 HA THR 35 HA THR 35 -6.774 -13.566 -3.047 290 HB THR 35 HB THR 35 -4.487 -14.961 -1.611 291 HG1 THR 35 1HG THR 35 -4.568 -16.436 -3.072 292 HG21 THR 35 3HG2 THR 35 -6.267 -16.561 -0.881 293 HG22 THR 35 1HG2 THR 35 -7.493 -15.484 -1.611 294 HG23 THR 35 2HG2 THR 35 -6.518 -14.943 -0.235 295 H GLU 36 H GLU 36 -3.822 -12.101 -1.829 296 HA GLU 36 HA GLU 36 -4.659 -11.525 0.866 297 HB2 GLU 36 1HB GLU 36 -2.586 -10.399 -1.038 298 HB3 GLU 36 2HB GLU 36 -2.725 -9.881 0.645 299 HG2 GLU 36 1HG GLU 36 -1.716 -11.746 1.451 300 HG3 GLU 36 2HG GLU 36 -2.656 -12.822 0.442 301 H ARG 37 H ARG 37 -4.915 -9.887 -2.286 302 HA ARG 37 HA ARG 37 -6.006 -7.502 -1.226 303 HB2 ARG 37 1HB ARG 37 -6.235 -6.797 -3.421 304 HB3 ARG 37 2HB ARG 37 -5.008 -8.039 -3.554 305 HG2 ARG 37 1HG ARG 37 -6.924 -9.624 -4.293 306 HG3 ARG 37 2HG ARG 37 -7.938 -8.181 -4.348 307 HD2 ARG 37 1HD ARG 37 -7.029 -8.791 -6.536 308 HD3 ARG 37 2HD ARG 37 -6.489 -7.167 -6.019 309 HE ARG 37 HE ARG 37 -4.591 -9.092 -5.208 310 HH11 ARG 37 1HH1 ARG 37 -5.914 -7.852 -8.255 311 HH12 ARG 37 2HH1 ARG 37 -4.425 -8.078 -9.146 312 HH21 ARG 37 1HH2 ARG 37 -2.487 -9.108 -6.362 313 HH22 ARG 37 2HH2 ARG 37 -2.539 -8.869 -8.080 314 H SER 38 H SER 38 -7.433 -10.557 -2.237 315 HA SER 38 HA SER 38 -10.165 -9.672 -2.240 316 HB2 SER 38 1HB SER 38 -9.031 -12.497 -2.121 317 HB3 SER 38 2HB SER 38 -10.631 -11.986 -2.683 318 HG SER 38 HG SER 38 -9.334 -12.285 -4.474 319 H GLN 39 H GLN 39 -7.905 -10.360 0.279 320 HA GLN 39 HA GLN 39 -9.948 -11.119 2.243 321 HB2 GLN 39 1HB GLN 39 -7.203 -9.934 2.815 322 HB3 GLN 39 2HB GLN 39 -8.300 -10.747 3.929 323 HG2 GLN 39 1HG GLN 39 -8.075 -12.765 2.260 324 HG3 GLN 39 2HG GLN 39 -6.630 -11.934 1.713 325 HE21 GLN 39 1HE2 GLN 39 -4.977 -11.307 3.616 326 HE22 GLN 39 2HE2 GLN 39 -4.857 -12.504 4.861 327 H ILE 40 H ILE 40 -7.948 -8.124 1.966 328 HA ILE 40 HA ILE 40 -9.583 -6.566 3.526 329 HB ILE 40 HB ILE 40 -7.891 -5.668 1.165 330 HG12 ILE 40 1HG1 ILE 40 -6.430 -4.760 3.185 331 HG13 ILE 40 2HG1 ILE 40 -7.264 -5.947 4.141 332 HG21 ILE 40 1HG2 ILE 40 -9.608 -3.963 1.785 333 HG22 ILE 40 2HG2 ILE 40 -8.961 -3.960 3.436 334 HG23 ILE 40 3HG2 ILE 40 -7.975 -3.450 2.037 335 HD11 ILE 40 3HD1 ILE 40 -5.012 -6.606 3.157 336 HD12 ILE 40 1HD1 ILE 40 -6.313 -7.749 2.804 337 HD13 ILE 40 2HD1 ILE 40 -5.755 -6.599 1.553 338 H ALA 41 H ALA 41 -9.890 -7.013 -0.004 339 HA ALA 41 HA ALA 41 -11.958 -5.085 -0.366 340 HB1 ALA 41 1HB ALA 41 -11.237 -7.497 -2.060 341 HB2 ALA 41 2HB ALA 41 -12.213 -6.103 -2.574 342 HB3 ALA 41 3HB ALA 41 -10.495 -5.883 -2.184 343 H HIS 42 H HIS 42 -12.236 -8.176 1.158 344 HA HIS 42 HA HIS 42 -15.178 -8.070 0.732 345 HB2 HIS 42 1HB HIS 42 -13.639 -9.996 -0.320 346 HB3 HIS 42 2HB HIS 42 -13.783 -10.628 1.326 347 HD1 HIS 42 1HD HIS 42 -15.020 -12.167 -1.183 348 HD2 HIS 42 2HD HIS 42 -17.087 -9.444 1.280 349 HE1 HIS 42 1HE HIS 42 -17.467 -12.799 -1.309 350 H ALA 43 H ALA 43 -12.770 -7.486 2.970 351 HA ALA 43 HA ALA 43 -14.187 -8.741 5.244 352 HB1 ALA 43 1HB ALA 43 -11.379 -7.612 4.905 353 HB2 ALA 43 2HB ALA 43 -12.042 -8.226 6.425 354 HB3 ALA 43 3HB ALA 43 -11.817 -9.321 5.045 355 H LEU 44 H LEU 44 -12.792 -5.609 4.034 356 HA LEU 44 HA LEU 44 -13.973 -4.323 6.414 357 HB2 LEU 44 1HB LEU 44 -11.908 -3.635 4.372 358 HB3 LEU 44 2HB LEU 44 -12.841 -2.272 4.984 359 HG LEU 44 HG LEU 44 -11.384 -4.179 6.835 360 HD11 LEU 44 1HD1 LEU 44 -9.733 -3.180 5.415 361 HD12 LEU 44 2HD1 LEU 44 -9.731 -2.152 6.866 362 HD13 LEU 44 3HD1 LEU 44 -10.547 -1.625 5.389 363 HD21 LEU 44 3HD2 LEU 44 -13.170 -2.804 7.897 364 HD22 LEU 44 1HD2 LEU 44 -12.453 -1.338 7.201 365 HD23 LEU 44 2HD2 LEU 44 -11.554 -2.288 8.405 366 H LYS 45 H LYS 45 -13.807 -2.896 3.223 367 HA LYS 45 HA LYS 45 -16.617 -2.704 2.572 368 HB2 LYS 45 1HB LYS 45 -15.017 -0.381 3.743 369 HB3 LYS 45 2HB LYS 45 -16.492 -0.138 2.790 370 HG2 LYS 45 1HG LYS 45 -17.665 -0.278 4.652 371 HG3 LYS 45 2HG LYS 45 -17.288 -1.987 4.611 372 HD2 LYS 45 1HD LYS 45 -16.701 -1.522 6.766 373 HD3 LYS 45 2HD LYS 45 -15.130 -1.287 5.992 374 HE2 LYS 45 1HE LYS 45 -15.549 1.185 5.924 375 HE3 LYS 45 2HE LYS 45 -17.158 0.913 6.584 376 HZ1 LYS 45 3HZ LYS 45 -15.992 -0.101 8.558 377 HZ2 LYS 45 1HZ LYS 45 -15.797 1.525 8.387 378 HZ3 LYS 45 2HZ LYS 45 -14.594 0.509 8.009 379 H LEU 46 H LEU 46 -13.854 -3.434 1.257 380 HA LEU 46 HA LEU 46 -13.504 -1.026 -0.472 381 HB2 LEU 46 1HB LEU 46 -11.488 -3.172 0.289 382 HB3 LEU 46 2HB LEU 46 -11.220 -1.996 -0.978 383 HG LEU 46 HG LEU 46 -11.688 -0.161 0.754 384 HD11 LEU 46 1HD1 LEU 46 -10.899 -1.043 3.099 385 HD12 LEU 46 2HD1 LEU 46 -11.420 -2.606 2.503 386 HD13 LEU 46 3HD1 LEU 46 -12.592 -1.270 2.623 387 HD21 LEU 46 3HD2 LEU 46 -9.205 -1.848 1.158 388 HD22 LEU 46 1HD2 LEU 46 -9.382 -0.127 1.495 389 HD23 LEU 46 2HD2 LEU 46 -9.427 -0.741 -0.168 390 H SER 47 H SER 47 -12.305 -1.799 -2.703 391 HA SER 47 HA SER 47 -14.249 -3.554 -4.067 392 HB2 SER 47 1HB SER 47 -13.369 -1.627 -5.843 393 HB3 SER 47 2HB SER 47 -14.863 -1.555 -4.934 394 HG SER 47 HG SER 47 -14.078 -0.086 -3.625 395 H GLU 48 H GLU 48 -13.231 -5.370 -4.948 396 HA GLU 48 HA GLU 48 -10.485 -5.748 -5.089 397 HB2 GLU 48 1HB GLU 48 -12.412 -6.905 -7.149 398 HB3 GLU 48 2HB GLU 48 -10.818 -7.497 -6.707 399 HG2 GLU 48 1HG GLU 48 -12.103 -8.985 -5.578 400 HG3 GLU 48 2HG GLU 48 -11.861 -7.794 -4.301 401 H VAL 49 H VAL 49 -12.567 -4.140 -7.505 402 HA VAL 49 HA VAL 49 -10.635 -4.035 -9.618 403 HB VAL 49 HB VAL 49 -12.912 -2.103 -8.969 404 HG11 VAL 49 1HG1 VAL 49 -11.366 -1.041 -10.502 405 HG12 VAL 49 2HG1 VAL 49 -11.177 -2.543 -11.430 406 HG13 VAL 49 3HG1 VAL 49 -12.714 -1.633 -11.473 407 HG21 VAL 49 3HG2 VAL 49 -12.867 -4.428 -10.932 408 HG22 VAL 49 1HG2 VAL 49 -13.701 -4.447 -9.363 409 HG23 VAL 49 2HG2 VAL 49 -14.228 -3.329 -10.612 410 H GLN 50 H GLN 50 -11.483 -1.669 -7.000 411 HA GLN 50 HA GLN 50 -9.517 0.187 -7.801 412 HB2 GLN 50 1HB GLN 50 -11.713 0.186 -6.201 413 HB3 GLN 50 2HB GLN 50 -10.478 0.054 -4.968 414 HG2 GLN 50 1HG GLN 50 -10.995 2.192 -7.004 415 HG3 GLN 50 2HG GLN 50 -10.942 2.344 -5.213 416 HE21 GLN 50 1HE2 GLN 50 -8.598 1.411 -4.411 417 HE22 GLN 50 2HE2 GLN 50 -7.266 2.151 -5.311 418 H VAL 51 H VAL 51 -9.511 -2.450 -5.297 419 HA VAL 51 HA VAL 51 -6.935 -1.786 -4.255 420 HB VAL 51 HB VAL 51 -8.379 -4.470 -4.205 421 HG11 VAL 51 1HG1 VAL 51 -6.941 -4.923 -2.241 422 HG12 VAL 51 2HG1 VAL 51 -5.924 -4.655 -3.687 423 HG13 VAL 51 3HG1 VAL 51 -6.121 -3.398 -2.434 424 HG21 VAL 51 3HG2 VAL 51 -9.014 -3.802 -1.896 425 HG22 VAL 51 1HG2 VAL 51 -8.242 -2.222 -2.116 426 HG23 VAL 51 2HG2 VAL 51 -9.680 -2.660 -3.047 427 H LYS 52 H LYS 52 -7.930 -3.586 -7.168 428 HA LYS 52 HA LYS 52 -5.549 -4.790 -7.927 429 HB2 LYS 52 1HB LYS 52 -7.919 -4.501 -9.100 430 HB3 LYS 52 2HB LYS 52 -7.108 -3.193 -9.957 431 HG2 LYS 52 1HG LYS 52 -5.599 -4.667 -11.032 432 HG3 LYS 52 2HG LYS 52 -5.929 -5.971 -9.880 433 HD2 LYS 52 1HD LYS 52 -7.086 -6.544 -11.908 434 HD3 LYS 52 2HD LYS 52 -8.281 -6.117 -10.694 435 HE2 LYS 52 1HE LYS 52 -9.032 -5.179 -12.709 436 HE3 LYS 52 2HE LYS 52 -8.478 -3.834 -11.704 437 HZ1 LYS 52 3HZ LYS 52 -7.734 -3.658 -13.988 438 HZ2 LYS 52 1HZ LYS 52 -6.933 -5.091 -13.913 439 HZ3 LYS 52 2HZ LYS 52 -6.450 -3.781 -13.006 440 H ILE 53 H ILE 53 -6.311 -1.294 -7.926 441 HA ILE 53 HA ILE 53 -3.707 -0.715 -9.204 442 HB ILE 53 HB ILE 53 -5.762 1.266 -8.304 443 HG12 ILE 53 1HG1 ILE 53 -5.921 1.098 -11.139 444 HG13 ILE 53 2HG1 ILE 53 -5.886 -0.581 -10.641 445 HG21 ILE 53 1HG2 ILE 53 -3.426 1.360 -10.263 446 HG22 ILE 53 2HG2 ILE 53 -4.639 2.662 -10.105 447 HG23 ILE 53 3HG2 ILE 53 -3.582 2.239 -8.753 448 HD11 ILE 53 3HD1 ILE 53 -7.832 1.553 -9.689 449 HD12 ILE 53 1HD1 ILE 53 -8.181 0.191 -10.775 450 HD13 ILE 53 2HD1 ILE 53 -7.759 -0.107 -9.074 451 H TRP 54 H TRP 54 -5.326 -0.562 -6.053 452 HA TRP 54 HA TRP 54 -3.898 1.418 -4.784 453 HB2 TRP 54 1HB TRP 54 -5.848 0.171 -3.894 454 HB3 TRP 54 2HB TRP 54 -4.807 -1.208 -3.549 455 HD1 TRP 54 HD TRP 54 -6.023 2.000 -2.167 456 HE1 TRP 54 1HE TRP 54 -5.283 2.156 0.325 457 HE3 TRP 54 3HE TRP 54 -2.524 -1.733 -2.036 458 HZ2 TRP 54 2HZ TRP 54 -3.147 1.170 1.951 459 HZ3 TRP 54 3HZ TRP 54 -1.182 -2.112 0.004 460 HH2 TRP 54 HH TRP 54 -1.473 -0.686 1.996 461 H PHE 55 H PHE 55 -2.861 -1.907 -5.306 462 HA PHE 55 HA PHE 55 -0.281 -1.339 -3.897 463 HB2 PHE 55 1HB PHE 55 0.306 -3.588 -3.976 464 HB3 PHE 55 2HB PHE 55 -1.336 -3.492 -3.394 465 HD1 PHE 55 1HD PHE 55 -3.236 -4.182 -4.856 466 HD2 PHE 55 2HD PHE 55 0.877 -4.712 -6.048 467 HE1 PHE 55 1HE PHE 55 -3.962 -5.610 -6.738 468 HE2 PHE 55 2HE PHE 55 0.143 -6.167 -7.920 469 HZ PHE 55 HZ PHE 55 -2.280 -6.542 -8.308 470 H GLN 56 H GLN 56 -1.528 -2.006 -7.175 471 HA GLN 56 HA GLN 56 0.777 -2.110 -8.676 472 HB2 GLN 56 1HB GLN 56 -1.663 -2.368 -9.273 473 HB3 GLN 56 2HB GLN 56 -1.678 -0.612 -9.524 474 HG2 GLN 56 1HG GLN 56 -0.742 -0.810 -11.569 475 HG3 GLN 56 2HG GLN 56 0.524 -1.884 -10.985 476 HE21 GLN 56 1HE2 GLN 56 -3.093 -2.169 -11.355 477 HE22 GLN 56 2HE2 GLN 56 -3.072 -3.804 -11.957 478 H ASN 57 H ASN 57 -0.782 0.731 -7.293 479 HA ASN 57 HA ASN 57 0.697 2.707 -8.647 480 HB2 ASN 57 1HB ASN 57 -0.775 2.551 -5.992 481 HB3 ASN 57 2HB ASN 57 0.325 3.893 -6.157 482 HD21 ASN 57 1HD2 ASN 57 -2.824 3.326 -6.334 483 HD22 ASN 57 2HD2 ASN 57 -3.256 4.529 -7.532 484 H ARG 58 H ARG 58 1.995 0.578 -6.279 485 HA ARG 58 HA ARG 58 4.315 2.438 -6.008 486 HB2 ARG 58 1HB ARG 58 2.898 1.434 -4.021 487 HB3 ARG 58 2HB ARG 58 3.907 0.018 -4.276 488 HG2 ARG 58 1HG ARG 58 5.829 1.099 -3.540 489 HG3 ARG 58 2HG ARG 58 5.269 2.708 -4.006 490 HD2 ARG 58 1HD ARG 58 3.904 1.120 -1.810 491 HD3 ARG 58 2HD ARG 58 5.318 2.154 -1.484 492 HE ARG 58 HE ARG 58 3.571 3.790 -2.866 493 HH11 ARG 58 1HH1 ARG 58 3.410 1.955 0.181 494 HH12 ARG 58 2HH1 ARG 58 2.264 3.058 0.906 495 HH21 ARG 58 1HH2 ARG 58 2.132 5.278 -1.826 496 HH22 ARG 58 2HH2 ARG 58 1.829 5.143 -0.139 497 H ARG 59 H ARG 59 3.361 0.060 -8.092 498 HA ARG 59 HA ARG 59 5.676 -1.743 -7.722 499 HB2 ARG 59 1HB ARG 59 3.419 -1.612 -9.700 500 HB3 ARG 59 2HB ARG 59 4.900 -2.374 -10.260 501 HG2 ARG 59 1HG ARG 59 3.715 -3.171 -7.589 502 HG3 ARG 59 2HG ARG 59 3.101 -3.848 -9.104 503 HD2 ARG 59 1HD ARG 59 5.149 -4.891 -9.650 504 HD3 ARG 59 2HD ARG 59 6.048 -3.928 -8.489 505 HE ARG 59 HE ARG 59 3.950 -5.745 -7.425 506 HH11 ARG 59 1HH1 ARG 59 7.448 -5.496 -8.122 507 HH12 ARG 59 2HH1 ARG 59 7.934 -6.140 -6.591 508 HH21 ARG 59 1HH2 ARG 59 4.583 -6.962 -5.643 509 HH22 ARG 59 2HH2 ARG 59 6.269 -7.273 -5.312 510 H ALA 60 H ALA 60 5.198 1.220 -9.536 511 HA ALA 60 HA ALA 60 7.839 0.835 -10.863 512 HB1 ALA 60 1HB ALA 60 7.136 2.706 -12.288 513 HB2 ALA 60 2HB ALA 60 5.979 1.363 -12.350 514 HB3 ALA 60 3HB ALA 60 5.609 2.822 -11.410 515 H LYS 61 H LYS 61 7.018 1.722 -7.929 516 HA LYS 61 HA LYS 61 7.980 4.396 -7.530 517 HB2 LYS 61 1HB LYS 61 6.780 3.119 -5.806 518 HB3 LYS 61 2HB LYS 61 8.034 1.894 -5.780 519 HG2 LYS 61 1HG LYS 61 9.352 4.391 -5.221 520 HG3 LYS 61 2HG LYS 61 7.840 4.443 -4.338 521 HD2 LYS 61 1HD LYS 61 8.387 2.268 -3.262 522 HD3 LYS 61 2HD LYS 61 9.907 2.192 -4.196 523 HE2 LYS 61 1HE LYS 61 10.696 4.282 -3.164 524 HE3 LYS 61 2HE LYS 61 9.159 4.470 -2.303 525 HZ1 LYS 61 3HZ LYS 61 10.951 3.575 -0.944 526 HZ2 LYS 61 1HZ LYS 61 11.091 2.272 -1.848 527 HZ3 LYS 61 2HZ LYS 61 9.655 2.551 -1.009 528 H TRP 62 H TRP 62 9.719 1.221 -7.270 529 HA TRP 62 HA TRP 62 12.276 2.360 -6.939 530 HB2 TRP 62 1HB TRP 62 11.674 -0.311 -8.256 531 HB3 TRP 62 2HB TRP 62 13.096 0.150 -7.331 532 HD1 TRP 62 HD TRP 62 12.580 0.659 -4.651 533 HE1 TRP 62 1HE TRP 62 10.946 -0.459 -3.023 534 HE3 TRP 62 3HE TRP 62 9.607 -1.712 -8.058 535 HZ2 TRP 62 2HZ TRP 62 8.675 -2.301 -3.202 536 HZ3 TRP 62 3HZ TRP 62 7.761 -3.114 -7.346 537 HH2 TRP 62 HH TRP 62 7.254 -3.438 -4.901 538 H LYS 63 H LYS 63 10.629 1.200 -9.980 539 HA LYS 63 HA LYS 63 12.764 1.736 -11.683 540 HB2 LYS 63 1HB LYS 63 9.780 1.306 -11.980 541 HB3 LYS 63 2HB LYS 63 10.668 1.978 -13.323 542 HG2 LYS 63 1HG LYS 63 10.812 -0.285 -13.803 543 HG3 LYS 63 2HG LYS 63 12.340 0.046 -13.017 544 HD2 LYS 63 1HD LYS 63 11.010 -0.733 -10.803 545 HD3 LYS 63 2HD LYS 63 9.986 -1.549 -11.996 546 HE2 LYS 63 1HE LYS 63 13.028 -1.750 -11.782 547 HE3 LYS 63 2HE LYS 63 11.910 -2.926 -11.099 548 HZ1 LYS 63 3HZ LYS 63 12.041 -2.355 -14.007 549 HZ2 LYS 63 1HZ LYS 63 11.379 -3.688 -13.241 550 HZ3 LYS 63 2HZ LYS 63 12.972 -3.421 -13.256 551 H ARG 64 H ARG 64 10.374 4.071 -10.382 552 HA ARG 64 HA ARG 64 11.079 6.147 -12.225 553 HB2 ARG 64 1HB ARG 64 9.806 6.032 -9.552 554 HB3 ARG 64 2HB ARG 64 10.373 7.609 -10.080 555 HG2 ARG 64 1HG ARG 64 8.535 5.847 -11.738 556 HG3 ARG 64 2HG ARG 64 7.985 7.084 -10.599 557 HD2 ARG 64 1HD ARG 64 9.991 8.158 -12.478 558 HD3 ARG 64 2HD ARG 64 8.620 7.446 -13.326 559 HE ARG 64 HE ARG 64 8.694 9.955 -12.027 560 HH11 ARG 64 1HH1 ARG 64 6.430 7.232 -12.472 561 HH12 ARG 64 2HH1 ARG 64 5.030 8.235 -12.285 562 HH21 ARG 64 1HH2 ARG 64 6.785 11.238 -12.034 563 HH22 ARG 64 2HH2 ARG 64 5.235 10.501 -11.997 564 H ILE 65 H ILE 65 13.100 4.714 -9.860 565 HA ILE 65 HA ILE 65 14.933 7.056 -9.914 566 HB ILE 65 HB ILE 65 14.393 5.124 -7.630 567 HG12 ILE 65 1HG1 ILE 65 13.432 7.978 -8.127 568 HG13 ILE 65 2HG1 ILE 65 12.436 6.539 -7.912 569 HG21 ILE 65 1HG2 ILE 65 15.786 6.683 -6.313 570 HG22 ILE 65 2HG2 ILE 65 16.676 5.998 -7.654 571 HG23 ILE 65 3HG2 ILE 65 16.071 7.663 -7.775 572 HD11 ILE 65 3HD1 ILE 65 13.242 6.371 -5.546 573 HD12 ILE 65 1HD1 ILE 65 14.016 7.957 -5.764 574 HD13 ILE 65 2HD1 ILE 65 12.258 7.803 -5.922 575 H LYS 66 H LYS 66 14.417 3.865 -10.727 576 HA LYS 66 HA LYS 66 17.286 3.269 -11.260 577 HB2 LYS 66 1HB LYS 66 15.854 2.035 -9.344 578 HB3 LYS 66 2HB LYS 66 15.343 1.044 -10.689 579 HG2 LYS 66 1HG LYS 66 18.250 1.601 -9.919 580 HG3 LYS 66 2HG LYS 66 17.302 0.249 -9.296 581 HD2 LYS 66 1HD LYS 66 17.004 -0.570 -11.639 582 HD3 LYS 66 2HD LYS 66 18.153 0.677 -12.179 583 HE2 LYS 66 1HE LYS 66 19.860 -0.265 -10.628 584 HE3 LYS 66 2HE LYS 66 18.717 -1.515 -10.133 585 HZ1 LYS 66 3HZ LYS 66 19.960 -1.216 -12.801 586 HZ2 LYS 66 1HZ LYS 66 18.725 -2.231 -12.542 587 HZ3 LYS 66 2HZ LYS 66 20.107 -2.463 -11.723 588 H ALA 67 H ALA 67 15.395 4.639 -13.116 589 HA ALA 67 HA ALA 67 14.857 2.641 -15.174 590 HB1 ALA 67 1HB ALA 67 13.314 4.627 -14.902 591 HB2 ALA 67 2HB ALA 67 14.701 5.691 -15.249 592 HB3 ALA 67 3HB ALA 67 14.117 4.579 -16.476 593 H GLY 68 H GLY 68 15.787 3.223 -17.267 594 HA2 GLY 68 1HA GLY 68 18.616 4.160 -17.207 595 HA3 GLY 68 2HA GLY 68 18.131 2.684 -18.080 596 H ASN 69 H ASN 69 19.299 4.597 -19.552 597 HA ASN 69 HA ASN 69 17.171 6.254 -20.845 598 HB2 ASN 69 1HB ASN 69 19.668 7.036 -20.240 599 HB3 ASN 69 2HB ASN 69 19.998 6.212 -21.789 600 HD21 ASN 69 1HD2 ASN 69 20.454 8.992 -21.384 601 HD22 ASN 69 2HD2 ASN 69 19.353 9.837 -22.459 602 H VAL 70 H VAL 70 17.859 6.228 -23.437 603 HA VAL 70 HA VAL 70 18.334 3.434 -24.308 604 HB VAL 70 HB VAL 70 16.071 5.160 -25.396 605 HG11 VAL 70 1HG1 VAL 70 17.096 3.514 -26.979 606 HG12 VAL 70 2HG1 VAL 70 16.752 2.220 -25.818 607 HG13 VAL 70 3HG1 VAL 70 15.431 3.146 -26.593 608 HG21 VAL 70 3HG2 VAL 70 15.985 2.862 -23.401 609 HG22 VAL 70 1HG2 VAL 70 15.455 4.533 -23.133 610 HG23 VAL 70 2HG2 VAL 70 14.567 3.491 -24.248 611 H SER 71 H SER 71 20.256 3.840 -25.012 612 HA SER 71 HA SER 71 19.874 4.527 -27.788 613 HB2 SER 71 1HB SER 71 22.505 3.752 -26.444 614 HB3 SER 71 2HB SER 71 22.236 3.980 -28.181 615 HG SER 71 HG SER 71 21.397 6.031 -26.557 Start of MODEL 12 1 H1 SER 1 H SER 1 -26.737 -2.402 -2.180 2 HA SER 1 HA SER 1 -28.145 -0.782 -0.990 3 HB2 SER 1 1HB SER 1 -25.583 0.810 -0.764 4 HB3 SER 1 2HB SER 1 -27.194 1.317 -0.248 5 HG SER 1 HG SER 1 -25.761 0.392 1.404 6 H ALA 2 H ALA 2 -25.571 1.040 -2.905 7 HA ALA 2 HA ALA 2 -27.007 0.509 -5.371 8 HB1 ALA 2 1HB ALA 2 -28.446 2.273 -4.407 9 HB2 ALA 2 2HB ALA 2 -27.026 3.306 -4.153 10 HB3 ALA 2 3HB ALA 2 -27.538 2.880 -5.796 11 HA PRO 3 HA PRO 3 -22.558 1.763 -5.865 12 HB2 PRO 3 1HB PRO 3 -21.341 -0.559 -6.538 13 HB3 PRO 3 2HB PRO 3 -21.754 -0.157 -4.843 14 HG2 PRO 3 1HG PRO 3 -23.308 -1.918 -6.775 15 HG3 PRO 3 2HG PRO 3 -22.864 -2.264 -5.083 16 HD2 PRO 3 1HD PRO 3 -25.320 -1.219 -5.876 17 HD3 PRO 3 2HD PRO 3 -24.589 -0.924 -4.268 18 H GLY 4 H GLY 4 -21.688 2.432 -7.890 19 HA2 GLY 4 1HA GLY 4 -22.103 0.907 -10.304 20 HA3 GLY 4 2HA GLY 4 -23.117 2.361 -10.255 21 H GLY 5 H GLY 5 -21.325 2.011 -12.235 22 HA2 GLY 5 1HA GLY 5 -20.022 3.852 -13.211 23 HA3 GLY 5 2HA GLY 5 -19.064 3.914 -11.722 24 H LYS 6 H LYS 6 -17.955 3.548 -14.349 25 HA LYS 6 HA LYS 6 -16.465 1.040 -14.098 26 HB2 LYS 6 1HB LYS 6 -18.297 1.618 -16.473 27 HB3 LYS 6 2HB LYS 6 -16.880 0.578 -16.570 28 HG2 LYS 6 1HG LYS 6 -18.291 -1.080 -16.153 29 HG3 LYS 6 2HG LYS 6 -18.085 -0.598 -14.471 30 HD2 LYS 6 1HD LYS 6 -20.180 0.795 -14.669 31 HD3 LYS 6 2HD LYS 6 -20.357 0.222 -16.339 32 HE2 LYS 6 1HE LYS 6 -20.472 -2.121 -15.539 33 HE3 LYS 6 2HE LYS 6 -20.223 -1.579 -13.875 34 HZ1 LYS 6 3HZ LYS 6 -22.558 -0.843 -15.537 35 HZ2 LYS 6 1HZ LYS 6 -22.315 -0.426 -13.963 36 HZ3 LYS 6 2HZ LYS 6 -22.533 -1.995 -14.356 37 H SER 7 H SER 7 -14.414 2.053 -14.077 38 HA SER 7 HA SER 7 -13.640 3.397 -16.497 39 HB2 SER 7 1HB SER 7 -14.615 5.129 -14.643 40 HB3 SER 7 2HB SER 7 -12.978 4.972 -14.001 41 HG SER 7 HG SER 7 -13.724 5.676 -16.662 42 H ARG 8 H ARG 8 -11.263 3.836 -16.513 43 HA ARG 8 HA ARG 8 -9.703 2.096 -14.634 44 HB2 ARG 8 1HB ARG 8 -9.849 1.454 -17.119 45 HB3 ARG 8 2HB ARG 8 -8.798 2.811 -17.446 46 HG2 ARG 8 1HG ARG 8 -8.175 0.508 -15.555 47 HG3 ARG 8 2HG ARG 8 -7.680 0.572 -17.237 48 HD2 ARG 8 1HD ARG 8 -6.776 2.558 -15.119 49 HD3 ARG 8 2HD ARG 8 -5.889 1.113 -15.597 50 HE ARG 8 HE ARG 8 -6.257 2.387 -17.995 51 HH11 ARG 8 1HH1 ARG 8 -4.644 3.232 -14.918 52 HH12 ARG 8 2HH1 ARG 8 -3.515 4.296 -15.660 53 HH21 ARG 8 1HH2 ARG 8 -4.714 3.695 -18.953 54 HH22 ARG 8 2HH2 ARG 8 -3.611 4.639 -18.015 55 H ARG 9 H ARG 9 -9.445 3.826 -13.063 56 HA ARG 9 HA ARG 9 -7.397 5.820 -13.742 57 HB2 ARG 9 1HB ARG 9 -10.179 6.574 -12.727 58 HB3 ARG 9 2HB ARG 9 -8.755 7.617 -12.619 59 HG2 ARG 9 1HG ARG 9 -8.547 7.664 -15.059 60 HG3 ARG 9 2HG ARG 9 -9.998 6.655 -15.223 61 HD2 ARG 9 1HD ARG 9 -11.406 8.355 -14.253 62 HD3 ARG 9 2HD ARG 9 -10.012 9.295 -13.724 63 HE ARG 9 HE ARG 9 -9.861 10.292 -15.733 64 HH11 ARG 9 1HH1 ARG 9 -11.690 7.280 -16.394 65 HH12 ARG 9 2HH1 ARG 9 -12.162 7.804 -17.967 66 HH21 ARG 9 1HH2 ARG 9 -10.783 11.057 -17.588 67 HH22 ARG 9 2HH2 ARG 9 -11.799 10.070 -18.607 68 H ARG 10 H ARG 10 -6.150 6.309 -11.860 69 HA ARG 10 HA ARG 10 -6.560 4.748 -9.468 70 HB2 ARG 10 1HB ARG 10 -4.548 5.848 -8.705 71 HB3 ARG 10 2HB ARG 10 -4.296 5.266 -10.340 72 HG2 ARG 10 1HG ARG 10 -4.330 7.449 -11.259 73 HG3 ARG 10 2HG ARG 10 -5.159 8.130 -9.870 74 HD2 ARG 10 1HD ARG 10 -3.180 8.998 -9.436 75 HD3 ARG 10 2HD ARG 10 -2.973 7.484 -8.549 76 HE ARG 10 HE ARG 10 -1.993 6.855 -11.026 77 HH11 ARG 10 1HH1 ARG 10 -1.207 9.466 -8.698 78 HH12 ARG 10 2HH1 ARG 10 0.448 9.536 -9.260 79 HH21 ARG 10 1HH2 ARG 10 0.167 7.078 -11.703 80 HH22 ARG 10 2HH2 ARG 10 1.177 8.309 -10.975 81 H ARG 11 H ARG 11 -8.904 6.002 -9.685 82 HA ARG 11 HA ARG 11 -8.939 8.454 -8.032 83 HB2 ARG 11 1HB ARG 11 -11.020 6.807 -9.502 84 HB3 ARG 11 2HB ARG 11 -11.487 8.026 -8.337 85 HG2 ARG 11 1HG ARG 11 -9.895 9.622 -9.736 86 HG3 ARG 11 2HG ARG 11 -10.120 8.406 -10.982 87 HD2 ARG 11 1HD ARG 11 -11.737 10.075 -11.384 88 HD3 ARG 11 2HD ARG 11 -12.642 8.723 -10.685 89 HE ARG 11 HE ARG 11 -11.995 10.313 -8.507 90 HH11 ARG 11 1HH1 ARG 11 -13.842 10.737 -11.484 91 HH12 ARG 11 2HH1 ARG 11 -14.696 12.151 -10.962 92 HH21 ARG 11 1HH2 ARG 11 -13.012 12.283 -7.809 93 HH22 ARG 11 2HH2 ARG 11 -14.364 12.891 -8.696 94 H THR 12 H THR 12 -7.623 6.755 -6.521 95 HA THR 12 HA THR 12 -9.250 5.219 -4.765 96 HB THR 12 HB THR 12 -6.701 6.665 -3.954 97 HG1 THR 12 1HG THR 12 -5.570 4.976 -4.819 98 HG21 THR 12 3HG2 THR 12 -7.736 3.920 -3.293 99 HG22 THR 12 1HG2 THR 12 -7.993 5.327 -2.258 100 HG23 THR 12 2HG2 THR 12 -6.354 4.744 -2.552 101 H ALA 13 H ALA 13 -10.548 5.783 -3.136 102 HA ALA 13 HA ALA 13 -10.386 8.363 -1.815 103 HB1 ALA 13 1HB ALA 13 -11.932 8.773 -3.780 104 HB2 ALA 13 2HB ALA 13 -13.006 7.506 -3.131 105 HB3 ALA 13 3HB ALA 13 -12.700 8.973 -2.197 106 H PHE 14 H PHE 14 -9.551 6.125 -0.758 107 HA PHE 14 HA PHE 14 -11.668 4.695 0.773 108 HB2 PHE 14 1HB PHE 14 -8.644 4.472 0.843 109 HB3 PHE 14 2HB PHE 14 -9.761 3.386 1.653 110 HD1 PHE 14 2HD PHE 14 -11.710 2.602 -0.574 111 HD2 PHE 14 1HD PHE 14 -7.411 3.148 -0.567 112 HE1 PHE 14 2HE PHE 14 -11.501 1.049 -2.433 113 HE2 PHE 14 1HE PHE 14 -7.219 1.598 -2.438 114 HZ PHE 14 HZ PHE 14 -9.236 0.452 -3.343 115 H THR 15 H THR 15 -10.181 4.508 3.205 116 HA THR 15 HA THR 15 -9.958 7.221 4.229 117 HB THR 15 HB THR 15 -12.151 7.103 4.737 118 HG1 THR 15 1HG THR 15 -11.301 7.370 6.681 119 HG21 THR 15 3HG2 THR 15 -11.915 4.146 5.218 120 HG22 THR 15 1HG2 THR 15 -12.654 4.919 3.802 121 HG23 THR 15 2HG2 THR 15 -13.406 5.109 5.401 122 H SER 16 H SER 16 -8.922 7.077 6.430 123 HA SER 16 HA SER 16 -6.938 4.996 6.644 124 HB2 SER 16 1HB SER 16 -6.861 6.032 9.060 125 HB3 SER 16 2HB SER 16 -6.163 6.834 7.639 126 HG SER 16 HG SER 16 -8.696 7.398 8.838 127 H GLU 17 H GLU 17 -10.311 5.323 7.534 128 HA GLU 17 HA GLU 17 -10.292 3.349 9.646 129 HB2 GLU 17 1HB GLU 17 -11.998 5.365 8.747 130 HB3 GLU 17 2HB GLU 17 -12.807 3.911 8.119 131 HG2 GLU 17 1HG GLU 17 -12.470 3.022 10.541 132 HG3 GLU 17 2HG GLU 17 -12.046 4.705 10.922 133 H GLN 18 H GLN 18 -10.040 3.107 6.273 134 HA GLN 18 HA GLN 18 -10.839 0.236 6.375 135 HB2 GLN 18 1HB GLN 18 -11.155 2.279 4.135 136 HB3 GLN 18 2HB GLN 18 -11.292 0.550 3.891 137 HG2 GLN 18 1HG GLN 18 -13.180 0.357 5.396 138 HG3 GLN 18 2HG GLN 18 -13.012 2.036 5.913 139 HE21 GLN 18 1HE2 GLN 18 -13.165 0.422 2.600 140 HE22 GLN 18 2HE2 GLN 18 -14.375 1.550 2.033 141 H LEU 19 H LEU 19 -8.329 2.552 5.707 142 HA LEU 19 HA LEU 19 -6.606 0.668 4.326 143 HB2 LEU 19 1HB LEU 19 -6.427 3.452 5.352 144 HB3 LEU 19 2HB LEU 19 -4.917 2.572 5.342 145 HG LEU 19 HG LEU 19 -5.073 2.120 2.970 146 HD11 LEU 19 1HD1 LEU 19 -7.590 2.025 2.724 147 HD12 LEU 19 2HD1 LEU 19 -6.783 3.070 1.550 148 HD13 LEU 19 3HD1 LEU 19 -7.617 3.788 2.944 149 HD21 LEU 19 3HD2 LEU 19 -5.622 5.021 3.731 150 HD22 LEU 19 1HD2 LEU 19 -4.941 4.513 2.173 151 HD23 LEU 19 2HD2 LEU 19 -4.038 4.234 3.678 152 H LEU 20 H LEU 20 -7.753 0.498 7.537 153 HA LEU 20 HA LEU 20 -5.249 0.264 8.932 154 HB2 LEU 20 1HB LEU 20 -8.161 -0.245 9.474 155 HB3 LEU 20 2HB LEU 20 -7.021 -1.147 10.454 156 HG LEU 20 HG LEU 20 -6.691 1.846 10.098 157 HD11 LEU 20 1HD1 LEU 20 -8.997 1.466 10.913 158 HD12 LEU 20 2HD1 LEU 20 -7.969 2.265 12.116 159 HD13 LEU 20 3HD1 LEU 20 -8.350 0.538 12.276 160 HD21 LEU 20 3HD2 LEU 20 -5.870 -0.061 12.329 161 HD22 LEU 20 1HD2 LEU 20 -5.536 1.685 12.268 162 HD23 LEU 20 2HD2 LEU 20 -4.788 0.601 11.083 163 H GLU 21 H GLU 21 -7.540 -2.143 7.625 164 HA GLU 21 HA GLU 21 -5.959 -4.479 8.128 165 HB2 GLU 21 1HB GLU 21 -8.166 -3.740 6.195 166 HB3 GLU 21 2HB GLU 21 -7.486 -5.347 6.223 167 HG2 GLU 21 1HG GLU 21 -8.397 -4.126 8.844 168 HG3 GLU 21 2HG GLU 21 -9.609 -4.636 7.711 169 H LEU 22 H LEU 22 -6.106 -2.133 5.541 170 HA LEU 22 HA LEU 22 -4.786 -3.607 3.496 171 HB2 LEU 22 1HB LEU 22 -6.369 -1.607 3.436 172 HB3 LEU 22 2HB LEU 22 -4.978 -0.594 3.809 173 HG LEU 22 HG LEU 22 -4.081 -0.750 1.701 174 HD11 LEU 22 1HD1 LEU 22 -5.669 -3.297 1.165 175 HD12 LEU 22 2HD1 LEU 22 -3.904 -3.140 1.333 176 HD13 LEU 22 3HD1 LEU 22 -4.712 -2.410 -0.045 177 HD21 LEU 22 3HD2 LEU 22 -6.303 0.358 1.761 178 HD22 LEU 22 1HD2 LEU 22 -7.087 -1.170 1.364 179 HD23 LEU 22 2HD2 LEU 22 -6.017 -0.375 0.172 180 H GLU 23 H GLU 23 -3.622 -1.069 5.781 181 HA GLU 23 HA GLU 23 -0.832 -1.432 5.034 182 HB2 GLU 23 1HB GLU 23 -2.174 -0.108 7.431 183 HB3 GLU 23 2HB GLU 23 -0.430 -0.197 7.166 184 HG2 GLU 23 1HG GLU 23 -1.061 0.870 4.795 185 HG3 GLU 23 2HG GLU 23 -2.447 1.477 5.713 186 H LYS 24 H LYS 24 -3.012 -2.857 7.513 187 HA LYS 24 HA LYS 24 -1.063 -3.973 9.173 188 HB2 LYS 24 1HB LYS 24 -3.216 -4.083 10.022 189 HB3 LYS 24 2HB LYS 24 -3.909 -4.645 8.509 190 HG2 LYS 24 1HG LYS 24 -3.162 -6.858 8.786 191 HG3 LYS 24 2HG LYS 24 -2.129 -6.430 10.153 192 HD2 LYS 24 1HD LYS 24 -5.104 -5.948 10.332 193 HD3 LYS 24 2HD LYS 24 -4.485 -7.597 10.495 194 HE2 LYS 24 1HE LYS 24 -3.328 -5.338 12.126 195 HE3 LYS 24 2HE LYS 24 -4.782 -6.195 12.653 196 HZ1 LYS 24 3HZ LYS 24 -2.614 -7.086 13.520 197 HZ2 LYS 24 1HZ LYS 24 -2.286 -7.637 12.012 198 HZ3 LYS 24 2HZ LYS 24 -3.595 -8.205 12.791 199 H GLU 25 H GLU 25 -2.669 -5.532 6.357 200 HA GLU 25 HA GLU 25 -1.105 -7.898 6.398 201 HB2 GLU 25 1HB GLU 25 -3.158 -6.688 4.786 202 HB3 GLU 25 2HB GLU 25 -1.881 -7.154 3.685 203 HG2 GLU 25 1HG GLU 25 -3.036 -9.019 5.785 204 HG3 GLU 25 2HG GLU 25 -3.717 -8.863 4.159 205 H PHE 26 H PHE 26 -0.580 -4.775 4.718 206 HA PHE 26 HA PHE 26 1.799 -5.644 3.399 207 HB2 PHE 26 1HB PHE 26 0.223 -3.267 3.423 208 HB3 PHE 26 2HB PHE 26 1.844 -2.786 3.849 209 HD1 PHE 26 2HD PHE 26 3.786 -3.284 2.243 210 HD2 PHE 26 1HD PHE 26 -0.331 -4.110 1.225 211 HE1 PHE 26 2HE PHE 26 4.394 -3.439 -0.155 212 HE2 PHE 26 1HE PHE 26 0.306 -4.307 -1.161 213 HZ PHE 26 HZ PHE 26 2.679 -3.950 -1.853 214 H HIS 27 H HIS 27 1.322 -5.108 6.741 215 HA HIS 27 HA HIS 27 4.116 -4.273 7.202 216 HB2 HIS 27 1HB HIS 27 1.966 -3.687 8.635 217 HB3 HIS 27 2HB HIS 27 2.263 -5.257 9.365 218 HD1 HIS 27 1HD HIS 27 2.571 -3.382 11.569 219 HD2 HIS 27 2HD HIS 27 5.605 -3.701 8.638 220 HE1 HIS 27 1HE HIS 27 4.602 -2.267 12.519 221 H CYS 28 H CYS 28 2.093 -7.239 7.098 222 HA CYS 28 HA CYS 28 3.952 -8.928 8.528 223 HB2 CYS 28 1HB CYS 28 1.653 -9.522 6.580 224 HB3 CYS 28 2HB CYS 28 2.456 -10.703 7.613 225 HG CYS 28 HG CYS 28 0.000 -9.979 8.403 226 H LYS 29 H LYS 29 3.260 -8.024 5.136 227 HA LYS 29 HA LYS 29 5.759 -9.209 4.199 228 HB2 LYS 29 1HB LYS 29 4.467 -10.722 2.599 229 HB3 LYS 29 2HB LYS 29 4.469 -11.174 4.296 230 HG2 LYS 29 1HG LYS 29 2.311 -11.586 3.610 231 HG3 LYS 29 2HG LYS 29 2.161 -10.165 4.559 232 HD2 LYS 29 1HD LYS 29 1.359 -8.913 2.867 233 HD3 LYS 29 2HD LYS 29 2.555 -9.490 1.696 234 HE2 LYS 29 1HE LYS 29 0.189 -11.125 2.665 235 HE3 LYS 29 2HE LYS 29 0.129 -10.123 1.231 236 HZ1 LYS 29 3HZ LYS 29 0.681 -12.487 0.864 237 HZ2 LYS 29 1HZ LYS 29 2.079 -12.308 1.614 238 HZ3 LYS 29 2HZ LYS 29 1.819 -11.435 0.216 239 H LYS 30 H LYS 30 6.061 -8.784 1.869 240 HA LYS 30 HA LYS 30 5.026 -6.057 1.451 241 HB2 LYS 30 1HB LYS 30 7.514 -6.810 1.971 242 HB3 LYS 30 2HB LYS 30 7.607 -7.056 0.232 243 HG2 LYS 30 1HG LYS 30 6.323 -4.493 0.993 244 HG3 LYS 30 2HG LYS 30 7.930 -4.670 1.691 245 HD2 LYS 30 1HD LYS 30 8.999 -4.657 -0.385 246 HD3 LYS 30 2HD LYS 30 7.549 -5.172 -1.257 247 HE2 LYS 30 1HE LYS 30 8.066 -2.784 -1.688 248 HE3 LYS 30 2HE LYS 30 6.476 -3.052 -0.977 249 HZ1 LYS 30 3HZ LYS 30 8.855 -2.052 0.486 250 HZ2 LYS 30 1HZ LYS 30 7.470 -2.485 1.203 251 HZ3 LYS 30 2HZ LYS 30 7.437 -1.244 0.160 252 H TYR 31 H TYR 31 4.022 -8.770 0.090 253 HA TYR 31 HA TYR 31 3.430 -7.458 -2.451 254 HB2 TYR 31 1HB TYR 31 3.922 -9.637 -3.654 255 HB3 TYR 31 2HB TYR 31 5.318 -8.701 -3.169 256 HD1 TYR 31 1HD TYR 31 6.850 -9.483 -1.386 257 HD2 TYR 31 2HD TYR 31 3.365 -11.780 -2.509 258 HE1 TYR 31 1HE TYR 31 7.770 -11.467 -0.211 259 HE2 TYR 31 2HE TYR 31 4.272 -13.752 -1.318 260 HH TYR 31 HH TYR 31 7.550 -13.903 -0.203 261 H LEU 32 H LEU 32 1.245 -7.699 -2.760 262 HA LEU 32 HA LEU 32 -0.190 -9.667 -1.077 263 HB2 LEU 32 1HB LEU 32 -0.897 -7.043 -2.124 264 HB3 LEU 32 2HB LEU 32 -2.063 -8.266 -2.649 265 HG LEU 32 HG LEU 32 -2.245 -9.085 -0.306 266 HD11 LEU 32 1HD1 LEU 32 -1.440 -7.709 1.543 267 HD12 LEU 32 2HD1 LEU 32 -0.724 -6.541 0.417 268 HD13 LEU 32 3HD1 LEU 32 -0.062 -8.177 0.562 269 HD21 LEU 32 3HD2 LEU 32 -2.951 -6.149 -0.496 270 HD22 LEU 32 1HD2 LEU 32 -3.727 -7.404 0.476 271 HD23 LEU 32 2HD2 LEU 32 -3.865 -7.453 -1.292 272 H SER 33 H SER 33 0.148 -11.591 -1.889 273 HA SER 33 HA SER 33 -0.076 -12.417 -4.598 274 HB2 SER 33 1HB SER 33 -0.616 -14.172 -2.192 275 HB3 SER 33 2HB SER 33 0.174 -14.575 -3.717 276 HG SER 33 HG SER 33 1.766 -14.431 -2.342 277 H LEU 34 H LEU 34 -1.896 -14.455 -4.791 278 HA LEU 34 HA LEU 34 -4.108 -12.852 -5.424 279 HB2 LEU 34 1HB LEU 34 -3.184 -15.383 -6.202 280 HB3 LEU 34 2HB LEU 34 -4.713 -15.744 -5.433 281 HG LEU 34 HG LEU 34 -5.066 -15.440 -7.766 282 HD11 LEU 34 1HD1 LEU 34 -6.725 -13.687 -7.917 283 HD12 LEU 34 2HD1 LEU 34 -6.118 -12.901 -6.446 284 HD13 LEU 34 3HD1 LEU 34 -6.866 -14.505 -6.355 285 HD21 LEU 34 3HD2 LEU 34 -3.035 -14.110 -8.226 286 HD22 LEU 34 1HD2 LEU 34 -3.840 -12.658 -7.599 287 HD23 LEU 34 2HD2 LEU 34 -4.470 -13.487 -9.044 288 H THR 35 H THR 35 -4.080 -15.554 -2.977 289 HA THR 35 HA THR 35 -6.691 -14.952 -2.100 290 HB THR 35 HB THR 35 -5.339 -17.067 -1.683 291 HG1 THR 35 1HG THR 35 -6.434 -17.087 0.579 292 HG21 THR 35 3HG2 THR 35 -4.139 -17.279 0.418 293 HG22 THR 35 1HG2 THR 35 -4.432 -15.584 0.830 294 HG23 THR 35 2HG2 THR 35 -3.374 -16.007 -0.538 295 H GLU 36 H GLU 36 -3.645 -13.467 -1.396 296 HA GLU 36 HA GLU 36 -4.258 -12.257 1.112 297 HB2 GLU 36 1HB GLU 36 -2.206 -11.335 -0.886 298 HB3 GLU 36 2HB GLU 36 -2.180 -11.122 0.848 299 HG2 GLU 36 1HG GLU 36 -2.032 -13.865 -0.464 300 HG3 GLU 36 2HG GLU 36 -0.636 -12.856 -0.214 301 H ARG 37 H ARG 37 -4.636 -11.472 -2.308 302 HA ARG 37 HA ARG 37 -5.420 -8.717 -1.962 303 HB2 ARG 37 1HB ARG 37 -4.269 -10.028 -3.954 304 HB3 ARG 37 2HB ARG 37 -5.910 -10.402 -4.443 305 HG2 ARG 37 1HG ARG 37 -5.097 -7.546 -3.882 306 HG3 ARG 37 2HG ARG 37 -4.474 -8.309 -5.339 307 HD2 ARG 37 1HD ARG 37 -7.378 -7.991 -4.624 308 HD3 ARG 37 2HD ARG 37 -6.520 -7.006 -5.797 309 HE ARG 37 HE ARG 37 -6.107 -9.417 -6.857 310 HH11 ARG 37 1HH1 ARG 37 -9.124 -8.221 -5.366 311 HH12 ARG 37 2HH1 ARG 37 -10.177 -9.136 -6.352 312 HH21 ARG 37 1HH2 ARG 37 -7.523 -10.641 -8.242 313 HH22 ARG 37 2HH2 ARG 37 -9.241 -10.515 -8.059 314 H SER 38 H SER 38 -7.156 -11.729 -1.675 315 HA SER 38 HA SER 38 -9.764 -10.426 -1.968 316 HB2 SER 38 1HB SER 38 -10.295 -12.865 -0.885 317 HB3 SER 38 2HB SER 38 -10.149 -12.526 -2.610 318 HG SER 38 HG SER 38 -8.105 -13.554 -0.946 319 H GLN 39 H GLN 39 -7.405 -10.622 0.559 320 HA GLN 39 HA GLN 39 -9.066 -11.221 2.767 321 HB2 GLN 39 1HB GLN 39 -6.402 -9.822 2.481 322 HB3 GLN 39 2HB GLN 39 -7.179 -9.891 4.028 323 HG2 GLN 39 1HG GLN 39 -7.077 -12.514 2.574 324 HG3 GLN 39 2HG GLN 39 -5.527 -11.838 3.022 325 HE21 GLN 39 1HE2 GLN 39 -5.117 -13.516 4.693 326 HE22 GLN 39 2HE2 GLN 39 -5.998 -13.406 6.203 327 H ILE 40 H ILE 40 -7.807 -8.006 1.893 328 HA ILE 40 HA ILE 40 -9.438 -6.627 3.803 329 HB ILE 40 HB ILE 40 -7.782 -5.831 1.382 330 HG12 ILE 40 1HG1 ILE 40 -6.835 -4.699 3.834 331 HG13 ILE 40 2HG1 ILE 40 -7.258 -6.350 4.218 332 HG21 ILE 40 1HG2 ILE 40 -7.870 -3.482 2.083 333 HG22 ILE 40 2HG2 ILE 40 -9.446 -4.073 1.547 334 HG23 ILE 40 3HG2 ILE 40 -9.106 -3.892 3.283 335 HD11 ILE 40 3HD1 ILE 40 -4.885 -6.001 3.538 336 HD12 ILE 40 1HD1 ILE 40 -5.731 -7.235 2.599 337 HD13 ILE 40 2HD1 ILE 40 -5.446 -5.610 1.897 338 H ALA 41 H ALA 41 -9.879 -7.418 0.384 339 HA ALA 41 HA ALA 41 -12.120 -5.792 -0.202 340 HB1 ALA 41 1HB ALA 41 -10.907 -6.853 -1.949 341 HB2 ALA 41 2HB ALA 41 -11.225 -8.480 -1.301 342 HB3 ALA 41 3HB ALA 41 -12.543 -7.529 -1.976 343 H HIS 42 H HIS 42 -11.974 -8.948 1.537 344 HA HIS 42 HA HIS 42 -14.945 -8.879 1.625 345 HB2 HIS 42 1HB HIS 42 -13.608 -10.844 0.623 346 HB3 HIS 42 2HB HIS 42 -13.157 -11.222 2.293 347 HD1 HIS 42 1HD HIS 42 -14.670 -13.292 2.850 348 HD2 HIS 42 2HD HIS 42 -16.631 -10.174 0.800 349 HE1 HIS 42 1HE HIS 42 -17.117 -13.991 2.653 350 H ALA 43 H ALA 43 -12.499 -7.663 3.488 351 HA ALA 43 HA ALA 43 -13.437 -8.692 6.087 352 HB1 ALA 43 1HB ALA 43 -11.520 -7.422 6.937 353 HB2 ALA 43 2HB ALA 43 -11.012 -8.525 5.652 354 HB3 ALA 43 3HB ALA 43 -11.178 -6.790 5.316 355 H LEU 44 H LEU 44 -13.339 -5.787 4.006 356 HA LEU 44 HA LEU 44 -14.565 -4.280 6.261 357 HB2 LEU 44 1HB LEU 44 -12.589 -3.488 4.118 358 HB3 LEU 44 2HB LEU 44 -13.440 -2.285 5.099 359 HG LEU 44 HG LEU 44 -11.690 -4.462 6.315 360 HD11 LEU 44 3HD2 LEU 44 -11.086 -1.651 5.328 361 HD12 LEU 44 1HD2 LEU 44 -10.264 -3.139 4.910 362 HD13 LEU 44 2HD2 LEU 44 -10.068 -2.465 6.524 363 HD21 LEU 44 1HD1 LEU 44 -11.687 -2.934 8.267 364 HD22 LEU 44 2HD1 LEU 44 -13.326 -3.449 7.885 365 HD23 LEU 44 3HD1 LEU 44 -12.781 -1.818 7.417 366 H LYS 45 H LYS 45 -14.212 -3.211 2.970 367 HA LYS 45 HA LYS 45 -16.815 -3.113 2.008 368 HB2 LYS 45 1HB LYS 45 -17.632 -0.883 2.498 369 HB3 LYS 45 2HB LYS 45 -17.710 -2.027 3.800 370 HG2 LYS 45 1HG LYS 45 -15.172 -0.729 3.789 371 HG3 LYS 45 2HG LYS 45 -16.459 0.489 3.711 372 HD2 LYS 45 1HD LYS 45 -17.396 -1.135 5.727 373 HD3 LYS 45 2HD LYS 45 -15.664 -1.343 5.956 374 HE2 LYS 45 1HE LYS 45 -15.388 1.109 6.163 375 HE3 LYS 45 2HE LYS 45 -17.099 1.326 5.752 376 HZ1 LYS 45 3HZ LYS 45 -17.698 0.233 7.776 377 HZ2 LYS 45 1HZ LYS 45 -16.629 1.474 8.121 378 HZ3 LYS 45 2HZ LYS 45 -16.131 -0.098 8.142 379 H LEU 46 H LEU 46 -13.826 -2.987 1.254 380 HA LEU 46 HA LEU 46 -13.658 -0.521 -0.364 381 HB2 LEU 46 1HB LEU 46 -11.828 -2.966 -0.116 382 HB3 LEU 46 2HB LEU 46 -11.598 -1.686 -1.292 383 HG LEU 46 HG LEU 46 -11.557 -0.001 0.633 384 HD11 LEU 46 1HD1 LEU 46 -10.596 -1.114 2.743 385 HD12 LEU 46 2HD1 LEU 46 -11.283 -2.623 2.145 386 HD13 LEU 46 3HD1 LEU 46 -12.348 -1.245 2.501 387 HD21 LEU 46 3HD2 LEU 46 -9.566 -0.682 -0.667 388 HD22 LEU 46 1HD2 LEU 46 -9.300 -2.035 0.437 389 HD23 LEU 46 2HD2 LEU 46 -9.193 -0.360 1.017 390 H SER 47 H SER 47 -12.975 -1.071 -2.798 391 HA SER 47 HA SER 47 -14.858 -3.088 -3.930 392 HB2 SER 47 1HB SER 47 -14.137 -0.352 -5.051 393 HB3 SER 47 2HB SER 47 -15.262 -1.540 -5.724 394 HG SER 47 HG SER 47 -16.445 -1.314 -3.672 395 H GLU 48 H GLU 48 -13.846 -4.605 -5.030 396 HA GLU 48 HA GLU 48 -11.161 -4.963 -4.815 397 HB2 GLU 48 1HB GLU 48 -13.115 -6.193 -6.804 398 HB3 GLU 48 2HB GLU 48 -11.457 -6.740 -6.582 399 HG2 GLU 48 1HG GLU 48 -12.001 -7.117 -4.146 400 HG3 GLU 48 2HG GLU 48 -13.700 -6.818 -4.536 401 H VAL 49 H VAL 49 -12.804 -3.643 -7.699 402 HA VAL 49 HA VAL 49 -10.534 -3.725 -9.429 403 HB VAL 49 HB VAL 49 -13.015 -1.959 -9.407 404 HG11 VAL 49 1HG1 VAL 49 -10.933 -2.278 -11.601 405 HG12 VAL 49 2HG1 VAL 49 -12.492 -1.448 -11.775 406 HG13 VAL 49 3HG1 VAL 49 -11.274 -0.774 -10.690 407 HG21 VAL 49 3HG2 VAL 49 -12.187 -4.418 -11.028 408 HG22 VAL 49 1HG2 VAL 49 -13.453 -4.367 -9.778 409 HG23 VAL 49 2HG2 VAL 49 -13.671 -3.483 -11.293 410 H GLN 50 H GLN 50 -11.615 -1.307 -7.032 411 HA GLN 50 HA GLN 50 -9.600 0.655 -7.657 412 HB2 GLN 50 1HB GLN 50 -11.972 0.498 -6.093 413 HB3 GLN 50 2HB GLN 50 -10.693 0.713 -4.930 414 HG2 GLN 50 1HG GLN 50 -11.501 2.504 -7.216 415 HG3 GLN 50 2HG GLN 50 -11.501 2.862 -5.465 416 HE21 GLN 50 1HE2 GLN 50 -8.939 2.380 -4.597 417 HE22 GLN 50 2HE2 GLN 50 -7.839 3.356 -5.575 418 H VAL 51 H VAL 51 -9.931 -2.043 -5.395 419 HA VAL 51 HA VAL 51 -7.597 -1.586 -3.808 420 HB VAL 51 HB VAL 51 -8.902 -4.236 -4.553 421 HG11 VAL 51 1HG1 VAL 51 -6.937 -3.623 -2.313 422 HG12 VAL 51 2HG1 VAL 51 -7.850 -5.137 -2.502 423 HG13 VAL 51 3HG1 VAL 51 -6.667 -4.683 -3.716 424 HG21 VAL 51 3HG2 VAL 51 -10.017 -4.098 -2.376 425 HG22 VAL 51 1HG2 VAL 51 -9.244 -2.538 -2.059 426 HG23 VAL 51 2HG2 VAL 51 -10.460 -2.695 -3.343 427 H LYS 52 H LYS 52 -8.052 -3.402 -6.825 428 HA LYS 52 HA LYS 52 -5.477 -4.288 -7.344 429 HB2 LYS 52 1HB LYS 52 -7.918 -4.199 -8.683 430 HB3 LYS 52 2HB LYS 52 -6.896 -3.206 -9.715 431 HG2 LYS 52 1HG LYS 52 -5.281 -5.063 -9.928 432 HG3 LYS 52 2HG LYS 52 -6.218 -6.011 -8.769 433 HD2 LYS 52 1HD LYS 52 -6.897 -6.873 -10.790 434 HD3 LYS 52 2HD LYS 52 -8.219 -5.779 -10.393 435 HE2 LYS 52 1HE LYS 52 -7.594 -4.205 -12.017 436 HE3 LYS 52 2HE LYS 52 -5.951 -4.860 -12.169 437 HZ1 LYS 52 3HZ LYS 52 -6.833 -6.804 -13.240 438 HZ2 LYS 52 1HZ LYS 52 -7.478 -5.519 -14.028 439 HZ3 LYS 52 2HZ LYS 52 -8.375 -6.373 -12.950 440 H ILE 53 H ILE 53 -6.546 -0.935 -7.426 441 HA ILE 53 HA ILE 53 -4.218 -0.127 -9.071 442 HB ILE 53 HB ILE 53 -6.730 1.327 -8.282 443 HG12 ILE 53 1HG1 ILE 53 -6.053 0.541 -11.143 444 HG13 ILE 53 2HG1 ILE 53 -6.714 -0.695 -10.093 445 HG21 ILE 53 1HG2 ILE 53 -5.099 3.025 -8.695 446 HG22 ILE 53 2HG2 ILE 53 -4.377 2.134 -10.045 447 HG23 ILE 53 3HG2 ILE 53 -5.967 2.872 -10.235 448 HD11 ILE 53 3HD1 ILE 53 -8.508 0.364 -11.316 449 HD12 ILE 53 1HD1 ILE 53 -8.672 0.683 -9.581 450 HD13 ILE 53 2HD1 ILE 53 -8.068 1.959 -10.660 451 H TRP 54 H TRP 54 -5.479 -0.001 -5.745 452 HA TRP 54 HA TRP 54 -3.805 2.039 -4.693 453 HB2 TRP 54 1HB TRP 54 -5.566 0.626 -3.515 454 HB3 TRP 54 2HB TRP 54 -4.387 -0.661 -3.422 455 HD1 TRP 54 HD TRP 54 -5.160 2.808 -1.971 456 HE1 TRP 54 1HE TRP 54 -3.920 3.090 0.255 457 HE3 TRP 54 3HE TRP 54 -2.344 -1.467 -2.042 458 HZ2 TRP 54 2HZ TRP 54 -1.920 1.695 1.779 459 HZ3 TRP 54 3HZ TRP 54 -0.830 -1.992 -0.148 460 HH2 TRP 54 HH TRP 54 -0.619 -0.431 1.763 461 H PHE 55 H PHE 55 -3.180 -1.360 -5.519 462 HA PHE 55 HA PHE 55 -0.412 -1.384 -4.749 463 HB2 PHE 55 1HB PHE 55 -1.613 -3.062 -6.969 464 HB3 PHE 55 2HB PHE 55 -0.188 -3.430 -6.009 465 HD1 PHE 55 2HD PHE 55 -0.857 -3.211 -3.249 466 HD2 PHE 55 1HD PHE 55 -3.409 -4.437 -6.515 467 HE1 PHE 55 2HE PHE 55 -2.384 -4.319 -1.650 468 HE2 PHE 55 1HE PHE 55 -4.917 -5.529 -4.921 469 HZ PHE 55 HZ PHE 55 -4.431 -5.466 -2.471 470 H GLN 56 H GLN 56 -1.884 0.121 -7.636 471 HA GLN 56 HA GLN 56 0.412 -0.137 -9.326 472 HB2 GLN 56 1HB GLN 56 -2.072 0.395 -9.805 473 HB3 GLN 56 2HB GLN 56 -1.676 2.059 -9.364 474 HG2 GLN 56 1HG GLN 56 -0.009 2.136 -11.208 475 HG3 GLN 56 2HG GLN 56 -0.389 0.455 -11.627 476 HE21 GLN 56 1HE2 GLN 56 -2.882 0.058 -11.865 477 HE22 GLN 56 2HE2 GLN 56 -3.899 1.387 -12.426 478 H ASN 57 H ASN 57 -0.359 1.823 -6.568 479 HA ASN 57 HA ASN 57 1.627 3.912 -7.123 480 HB2 ASN 57 1HB ASN 57 0.027 3.357 -4.550 481 HB3 ASN 57 2HB ASN 57 0.982 4.786 -4.888 482 HD21 ASN 57 1HD2 ASN 57 -1.974 2.992 -5.855 483 HD22 ASN 57 2HD2 ASN 57 -2.680 4.315 -6.751 484 H ARG 58 H ARG 58 1.145 1.548 -4.515 485 HA ARG 58 HA ARG 58 3.630 2.050 -3.377 486 HB2 ARG 58 1HB ARG 58 1.360 0.580 -2.726 487 HB3 ARG 58 2HB ARG 58 2.572 -0.696 -2.876 488 HG2 ARG 58 1HG ARG 58 3.849 0.178 -1.078 489 HG3 ARG 58 2HG ARG 58 3.190 1.808 -1.272 490 HD2 ARG 58 1HD ARG 58 0.958 0.993 -0.462 491 HD3 ARG 58 2HD ARG 58 1.688 -0.586 -0.147 492 HE ARG 58 HE ARG 58 2.610 0.220 1.775 493 HH11 ARG 58 1HH1 ARG 58 1.421 3.068 -0.026 494 HH12 ARG 58 2HH1 ARG 58 1.977 4.180 1.145 495 HH21 ARG 58 1HH2 ARG 58 3.109 1.721 3.425 496 HH22 ARG 58 2HH2 ARG 58 2.921 3.401 3.194 497 H ARG 59 H ARG 59 3.393 0.653 -6.328 498 HA ARG 59 HA ARG 59 5.619 -1.304 -5.897 499 HB2 ARG 59 1HB ARG 59 3.265 -1.690 -7.248 500 HB3 ARG 59 2HB ARG 59 4.313 -1.225 -8.584 501 HG2 ARG 59 1HG ARG 59 5.847 -3.072 -7.995 502 HG3 ARG 59 2HG ARG 59 4.929 -3.375 -6.504 503 HD2 ARG 59 1HD ARG 59 4.322 -5.084 -8.002 504 HD3 ARG 59 2HD ARG 59 2.949 -3.978 -7.961 505 HE ARG 59 HE ARG 59 4.996 -3.655 -10.094 506 HH11 ARG 59 1HH1 ARG 59 1.745 -4.855 -9.396 507 HH12 ARG 59 2HH1 ARG 59 1.418 -5.315 -11.024 508 HH21 ARG 59 1HH2 ARG 59 4.415 -4.025 -12.303 509 HH22 ARG 59 2HH2 ARG 59 3.111 -5.069 -12.648 510 H ALA 60 H ALA 60 5.656 1.835 -6.226 511 HA ALA 60 HA ALA 60 7.410 2.133 -8.622 512 HB1 ALA 60 1HB ALA 60 7.034 4.519 -8.249 513 HB2 ALA 60 2HB ALA 60 5.481 3.667 -8.335 514 HB3 ALA 60 3HB ALA 60 6.127 4.185 -6.763 515 H LYS 61 H LYS 61 7.711 1.647 -5.229 516 HA LYS 61 HA LYS 61 9.634 3.341 -4.419 517 HB2 LYS 61 1HB LYS 61 8.615 1.744 -2.953 518 HB3 LYS 61 2HB LYS 61 9.454 0.403 -3.740 519 HG2 LYS 61 1HG LYS 61 11.650 1.388 -3.013 520 HG3 LYS 61 2HG LYS 61 10.803 2.800 -2.356 521 HD2 LYS 61 1HD LYS 61 9.660 1.295 -0.718 522 HD3 LYS 61 2HD LYS 61 10.609 -0.066 -1.400 523 HE2 LYS 61 1HE LYS 61 12.708 1.083 -0.816 524 HE3 LYS 61 2HE LYS 61 11.814 2.495 -0.224 525 HZ1 LYS 61 3HZ LYS 61 12.581 1.005 1.509 526 HZ2 LYS 61 1HZ LYS 61 11.654 -0.213 0.920 527 HZ3 LYS 61 2HZ LYS 61 10.934 1.162 1.534 528 H TRP 62 H TRP 62 10.678 0.136 -5.807 529 HA TRP 62 HA TRP 62 13.387 0.936 -5.741 530 HB2 TRP 62 1HB TRP 62 12.404 -1.102 -7.714 531 HB3 TRP 62 2HB TRP 62 13.885 -1.086 -6.763 532 HD1 TRP 62 HD TRP 62 13.611 -1.845 -4.118 533 HE1 TRP 62 1HE TRP 62 11.873 -3.356 -2.966 534 HE3 TRP 62 3HE TRP 62 9.955 -1.724 -7.688 535 HZ2 TRP 62 2HZ TRP 62 9.123 -4.143 -3.414 536 HZ3 TRP 62 3HZ TRP 62 7.802 -2.778 -7.298 537 HH2 TRP 62 HH TRP 62 7.326 -3.992 -5.139 538 H LYS 63 H LYS 63 10.907 1.788 -8.039 539 HA LYS 63 HA LYS 63 12.718 2.592 -10.195 540 HB2 LYS 63 1HB LYS 63 9.749 2.586 -9.673 541 HB3 LYS 63 2HB LYS 63 10.314 3.990 -10.523 542 HG2 LYS 63 1HG LYS 63 9.853 2.582 -12.255 543 HG3 LYS 63 2HG LYS 63 11.583 2.287 -12.072 544 HD2 LYS 63 1HD LYS 63 11.126 0.207 -10.813 545 HD3 LYS 63 2HD LYS 63 9.383 0.570 -10.835 546 HE2 LYS 63 1HE LYS 63 9.571 0.664 -13.388 547 HE3 LYS 63 2HE LYS 63 11.179 -0.052 -13.214 548 HZ1 LYS 63 3HZ LYS 63 10.171 -1.983 -12.254 549 HZ2 LYS 63 1HZ LYS 63 9.335 -1.619 -13.626 550 HZ3 LYS 63 2HZ LYS 63 8.701 -1.249 -12.154 551 H ARG 64 H ARG 64 10.758 4.389 -7.678 552 HA ARG 64 HA ARG 64 11.847 6.919 -8.308 553 HB2 ARG 64 1HB ARG 64 10.807 7.783 -6.559 554 HB3 ARG 64 2HB ARG 64 9.886 6.284 -6.692 555 HG2 ARG 64 1HG ARG 64 11.287 5.295 -4.911 556 HG3 ARG 64 2HG ARG 64 12.269 6.762 -4.894 557 HD2 ARG 64 1HD ARG 64 9.320 6.798 -4.245 558 HD3 ARG 64 2HD ARG 64 10.532 6.390 -3.032 559 HE ARG 64 HE ARG 64 11.630 8.581 -3.502 560 HH11 ARG 64 1HH1 ARG 64 8.107 8.326 -4.264 561 HH12 ARG 64 2HH1 ARG 64 7.825 9.946 -3.725 562 HH21 ARG 64 1HH2 ARG 64 11.106 10.688 -2.712 563 HH22 ARG 64 2HH2 ARG 64 9.496 11.269 -2.869 564 H ILE 65 H ILE 65 13.370 4.303 -6.653 565 HA ILE 65 HA ILE 65 15.608 5.909 -5.653 566 HB ILE 65 HB ILE 65 15.044 2.917 -5.677 567 HG12 ILE 65 1HG1 ILE 65 15.010 4.965 -3.413 568 HG13 ILE 65 2HG1 ILE 65 13.560 4.425 -4.227 569 HG21 ILE 65 1HG2 ILE 65 16.967 2.751 -4.120 570 HG22 ILE 65 2HG2 ILE 65 17.497 3.382 -5.674 571 HG23 ILE 65 3HG2 ILE 65 17.274 4.494 -4.305 572 HD11 ILE 65 3HD1 ILE 65 13.682 3.213 -2.215 573 HD12 ILE 65 1HD1 ILE 65 14.090 2.067 -3.518 574 HD13 ILE 65 2HD1 ILE 65 15.369 2.772 -2.491 575 H LYS 66 H LYS 66 15.328 3.084 -7.903 576 HA LYS 66 HA LYS 66 17.764 3.875 -9.285 577 HB2 LYS 66 1HB LYS 66 17.027 1.547 -8.433 578 HB3 LYS 66 2HB LYS 66 15.970 1.488 -9.833 579 HG2 LYS 66 1HG LYS 66 18.996 1.912 -9.981 580 HG3 LYS 66 2HG LYS 66 18.227 0.327 -9.970 581 HD2 LYS 66 1HD LYS 66 16.912 1.018 -12.040 582 HD3 LYS 66 2HD LYS 66 17.891 2.487 -12.058 583 HE2 LYS 66 1HE LYS 66 18.944 1.038 -13.595 584 HE3 LYS 66 2HE LYS 66 19.966 1.079 -12.154 585 HZ1 LYS 66 3HZ LYS 66 19.775 -1.129 -12.895 586 HZ2 LYS 66 1HZ LYS 66 18.130 -1.112 -12.948 587 HZ3 LYS 66 2HZ LYS 66 18.932 -1.044 -11.502 588 H ALA 67 H ALA 67 16.290 5.902 -9.740 589 HA ALA 67 HA ALA 67 16.468 5.921 -12.584 590 HB1 ALA 67 1HB ALA 67 13.741 6.675 -11.408 591 HB2 ALA 67 2HB ALA 67 14.271 6.990 -13.070 592 HB3 ALA 67 3HB ALA 67 14.055 5.323 -12.511 593 H GLY 68 H GLY 68 16.994 8.084 -13.244 594 HA2 GLY 68 1HA GLY 68 17.751 9.877 -11.057 595 HA3 GLY 68 2HA GLY 68 18.171 9.996 -12.764 596 H ASN 69 H ASN 69 15.471 10.455 -10.455 597 HA ASN 69 HA ASN 69 14.628 12.870 -11.873 598 HB2 ASN 69 1HB ASN 69 13.313 11.147 -13.081 599 HB3 ASN 69 2HB ASN 69 12.836 10.464 -11.509 600 HD21 ASN 69 1HD2 ASN 69 12.885 13.999 -12.345 601 HD22 ASN 69 2HD2 ASN 69 11.174 14.185 -12.244 602 H VAL 70 H VAL 70 14.823 14.173 -10.011 603 HA VAL 70 HA VAL 70 12.859 13.527 -7.931 604 HB VAL 70 HB VAL 70 14.480 14.440 -6.204 605 HG11 VAL 70 1HG1 VAL 70 15.424 11.845 -7.508 606 HG12 VAL 70 2HG1 VAL 70 15.663 12.348 -5.823 607 HG13 VAL 70 3HG1 VAL 70 14.036 11.990 -6.416 608 HG21 VAL 70 3HG2 VAL 70 16.091 15.480 -7.828 609 HG22 VAL 70 1HG2 VAL 70 16.864 14.435 -6.627 610 HG23 VAL 70 2HG2 VAL 70 16.637 13.858 -8.292 611 H SER 71 H SER 71 11.871 15.485 -7.022 612 HA SER 71 HA SER 71 12.652 18.114 -7.484 613 HB2 SER 71 1HB SER 71 11.803 16.986 -9.884 614 HB3 SER 71 2HB SER 71 10.279 17.584 -9.232 615 HG SER 71 HG SER 71 11.159 19.636 -9.101 Start of MODEL 13 1 H1 SER 1 H SER 1 -21.761 3.271 -25.110 2 HA SER 1 HA SER 1 -24.653 2.854 -25.580 3 HB2 SER 1 1HB SER 1 -23.339 3.334 -27.632 4 HB3 SER 1 2HB SER 1 -22.293 1.958 -27.269 5 HG SER 1 HG SER 1 -23.751 1.190 -28.658 6 H ALA 2 H ALA 2 -25.279 1.500 -24.026 7 HA ALA 2 HA ALA 2 -25.348 -0.266 -22.583 8 HB1 ALA 2 1HB ALA 2 -26.380 -0.993 -24.647 9 HB2 ALA 2 2HB ALA 2 -24.824 -1.590 -25.263 10 HB3 ALA 2 3HB ALA 2 -25.575 -2.356 -23.850 11 HA PRO 3 HA PRO 3 -20.787 -1.040 -21.968 12 HB2 PRO 3 1HB PRO 3 -20.632 -0.041 -19.380 13 HB3 PRO 3 2HB PRO 3 -20.335 0.924 -20.862 14 HG2 PRO 3 1HG PRO 3 -22.840 0.723 -19.187 15 HG3 PRO 3 2HG PRO 3 -22.073 2.194 -19.861 16 HD2 PRO 3 1HD PRO 3 -24.197 1.005 -21.082 17 HD3 PRO 3 2HD PRO 3 -22.873 1.733 -22.028 18 H GLY 4 H GLY 4 -19.792 -2.412 -20.202 19 HA2 GLY 4 1HA GLY 4 -21.166 -3.910 -18.261 20 HA3 GLY 4 2HA GLY 4 -21.346 -4.756 -19.800 21 H GLY 5 H GLY 5 -18.943 -3.499 -17.434 22 HA2 GLY 5 1HA GLY 5 -16.966 -5.449 -18.055 23 HA3 GLY 5 2HA GLY 5 -16.660 -4.014 -19.031 24 H LYS 6 H LYS 6 -14.629 -3.796 -17.867 25 HA LYS 6 HA LYS 6 -14.836 -2.505 -15.244 26 HB2 LYS 6 1HB LYS 6 -13.115 -3.893 -14.253 27 HB3 LYS 6 2HB LYS 6 -14.565 -4.818 -14.582 28 HG2 LYS 6 1HG LYS 6 -12.280 -4.873 -16.555 29 HG3 LYS 6 2HG LYS 6 -12.172 -5.774 -15.045 30 HD2 LYS 6 1HD LYS 6 -13.961 -7.199 -15.570 31 HD3 LYS 6 2HD LYS 6 -14.480 -6.203 -16.937 32 HE2 LYS 6 1HE LYS 6 -13.378 -8.119 -17.851 33 HE3 LYS 6 2HE LYS 6 -12.340 -6.717 -18.111 34 HZ1 LYS 6 3HZ LYS 6 -11.089 -7.487 -16.084 35 HZ2 LYS 6 1HZ LYS 6 -10.981 -8.456 -17.401 36 HZ3 LYS 6 2HZ LYS 6 -11.960 -8.862 -16.127 37 H SER 7 H SER 7 -12.976 -1.233 -14.684 38 HA SER 7 HA SER 7 -10.962 -0.735 -16.722 39 HB2 SER 7 1HB SER 7 -13.124 0.550 -17.305 40 HB3 SER 7 2HB SER 7 -12.866 1.463 -15.810 41 HG SER 7 HG SER 7 -11.244 1.343 -18.146 42 H ARG 8 H ARG 8 -9.721 1.344 -15.804 43 HA ARG 8 HA ARG 8 -9.314 1.068 -12.876 44 HB2 ARG 8 1HB ARG 8 -6.953 0.797 -13.096 45 HB3 ARG 8 2HB ARG 8 -7.781 -0.474 -13.973 46 HG2 ARG 8 1HG ARG 8 -6.197 0.039 -15.559 47 HG3 ARG 8 2HG ARG 8 -7.430 1.202 -16.054 48 HD2 ARG 8 1HD ARG 8 -6.191 2.749 -14.269 49 HD3 ARG 8 2HD ARG 8 -4.856 1.624 -14.540 50 HE ARG 8 HE ARG 8 -5.981 2.582 -17.023 51 HH11 ARG 8 1HH1 ARG 8 -4.301 3.844 -14.205 52 HH12 ARG 8 2HH1 ARG 8 -3.359 5.021 -15.028 53 HH21 ARG 8 1HH2 ARG 8 -4.744 4.123 -18.245 54 HH22 ARG 8 2HH2 ARG 8 -3.661 5.205 -17.455 55 H ARG 9 H ARG 9 -9.121 3.151 -11.918 56 HA ARG 9 HA ARG 9 -7.887 5.246 -13.622 57 HB2 ARG 9 1HB ARG 9 -10.623 5.465 -12.318 58 HB3 ARG 9 2HB ARG 9 -9.570 6.885 -12.439 59 HG2 ARG 9 1HG ARG 9 -9.265 6.414 -14.878 60 HG3 ARG 9 2HG ARG 9 -10.512 5.166 -14.755 61 HD2 ARG 9 1HD ARG 9 -12.163 6.846 -14.103 62 HD3 ARG 9 2HD ARG 9 -10.925 8.120 -14.097 63 HE ARG 9 HE ARG 9 -12.134 6.723 -16.381 64 HH11 ARG 9 1HH1 ARG 9 -9.656 9.067 -15.398 65 HH12 ARG 9 2HH1 ARG 9 -9.253 9.544 -17.007 66 HH21 ARG 9 1HH2 ARG 9 -11.436 7.174 -18.523 67 HH22 ARG 9 2HH2 ARG 9 -10.257 8.418 -18.812 68 H ARG 10 H ARG 10 -6.908 6.932 -12.452 69 HA ARG 10 HA ARG 10 -5.677 5.965 -9.944 70 HB2 ARG 10 1HB ARG 10 -4.469 6.969 -12.059 71 HB3 ARG 10 2HB ARG 10 -5.060 8.509 -11.483 72 HG2 ARG 10 1HG ARG 10 -3.102 8.580 -10.412 73 HG3 ARG 10 2HG ARG 10 -3.901 7.645 -9.170 74 HD2 ARG 10 1HD ARG 10 -2.747 5.687 -9.668 75 HD3 ARG 10 2HD ARG 10 -2.617 6.052 -11.391 76 HE ARG 10 HE ARG 10 -0.758 6.726 -9.296 77 HH11 ARG 10 1HH1 ARG 10 -1.780 7.561 -12.643 78 HH12 ARG 10 2HH1 ARG 10 -0.878 9.060 -12.631 79 HH21 ARG 10 1HH2 ARG 10 1.067 8.319 -9.832 80 HH22 ARG 10 2HH2 ARG 10 0.656 9.457 -11.086 81 H ARG 11 H ARG 11 -8.269 6.382 -9.390 82 HA ARG 11 HA ARG 11 -8.456 9.062 -8.095 83 HB2 ARG 11 1HB ARG 11 -10.682 7.542 -9.514 84 HB3 ARG 11 2HB ARG 11 -10.875 9.024 -8.573 85 HG2 ARG 11 1HG ARG 11 -9.412 10.249 -10.175 86 HG3 ARG 11 2HG ARG 11 -9.267 8.779 -11.139 87 HD2 ARG 11 1HD ARG 11 -10.983 10.025 -12.198 88 HD3 ARG 11 2HD ARG 11 -11.821 8.750 -11.301 89 HE ARG 11 HE ARG 11 -11.554 11.132 -9.700 90 HH11 ARG 11 1HH1 ARG 11 -13.608 9.749 -12.234 91 HH12 ARG 11 2HH1 ARG 11 -14.780 11.002 -12.188 92 HH21 ARG 11 1HH2 ARG 11 -13.209 12.650 -9.407 93 HH22 ARG 11 2HH2 ARG 11 -14.514 12.767 -10.518 94 H THR 12 H THR 12 -7.326 6.740 -6.771 95 HA THR 12 HA THR 12 -9.353 5.292 -5.415 96 HB THR 12 HB THR 12 -6.499 5.933 -4.575 97 HG1 THR 12 1HG THR 12 -6.094 3.916 -5.354 98 HG21 THR 12 3HG2 THR 12 -7.739 5.316 -2.565 99 HG22 THR 12 1HG2 THR 12 -6.712 3.970 -3.047 100 HG23 THR 12 2HG2 THR 12 -8.461 3.942 -3.370 101 H ALA 13 H ALA 13 -10.611 5.746 -3.881 102 HA ALA 13 HA ALA 13 -10.185 7.949 -1.955 103 HB1 ALA 13 1HB ALA 13 -12.761 7.128 -3.390 104 HB2 ALA 13 2HB ALA 13 -12.708 8.156 -1.958 105 HB3 ALA 13 3HB ALA 13 -11.944 8.709 -3.463 106 H PHE 14 H PHE 14 -9.199 6.337 -0.571 107 HA PHE 14 HA PHE 14 -11.244 4.647 0.740 108 HB2 PHE 14 1HB PHE 14 -8.270 4.097 0.656 109 HB3 PHE 14 2HB PHE 14 -9.441 3.164 1.552 110 HD1 PHE 14 2HD PHE 14 -11.572 2.604 -0.508 111 HD2 PHE 14 1HD PHE 14 -7.268 2.689 -0.837 112 HE1 PHE 14 2HE PHE 14 -11.669 0.965 -2.342 113 HE2 PHE 14 1HE PHE 14 -7.370 1.064 -2.679 114 HZ PHE 14 HZ PHE 14 -9.545 0.121 -3.388 115 H THR 15 H THR 15 -10.721 4.484 2.996 116 HA THR 15 HA THR 15 -9.879 7.132 4.100 117 HB THR 15 HB THR 15 -11.637 6.691 5.797 118 HG1 THR 15 1HG THR 15 -12.471 4.510 4.241 119 HG21 THR 15 3HG2 THR 15 -13.605 6.864 4.357 120 HG22 THR 15 1HG2 THR 15 -12.699 6.230 2.963 121 HG23 THR 15 2HG2 THR 15 -12.273 7.811 3.660 122 H SER 16 H SER 16 -9.121 7.044 6.438 123 HA SER 16 HA SER 16 -7.041 5.148 6.858 124 HB2 SER 16 1HB SER 16 -6.842 7.190 7.831 125 HB3 SER 16 2HB SER 16 -8.472 7.174 8.564 126 HG SER 16 HG SER 16 -7.748 6.129 10.219 127 H GLU 17 H GLU 17 -10.431 5.222 8.058 128 HA GLU 17 HA GLU 17 -10.531 2.888 9.587 129 HB2 GLU 17 1HB GLU 17 -12.393 4.454 7.822 130 HB3 GLU 17 2HB GLU 17 -12.947 2.893 8.391 131 HG2 GLU 17 1HG GLU 17 -12.890 3.529 10.658 132 HG3 GLU 17 2HG GLU 17 -11.836 4.911 10.354 133 H GLN 18 H GLN 18 -10.291 3.157 6.097 134 HA GLN 18 HA GLN 18 -10.915 0.308 5.571 135 HB2 GLN 18 1HB GLN 18 -10.648 2.863 3.970 136 HB3 GLN 18 2HB GLN 18 -10.563 1.356 3.136 137 HG2 GLN 18 1HG GLN 18 -12.775 0.711 3.927 138 HG3 GLN 18 2HG GLN 18 -12.904 2.187 4.886 139 HE21 GLN 18 1HE2 GLN 18 -13.882 0.940 1.768 140 HE22 GLN 18 2HE2 GLN 18 -13.858 2.488 0.989 141 H LEU 19 H LEU 19 -8.232 2.388 6.112 142 HA LEU 19 HA LEU 19 -6.367 0.794 4.498 143 HB2 LEU 19 1HB LEU 19 -6.475 3.536 5.612 144 HB3 LEU 19 2HB LEU 19 -4.910 2.786 5.690 145 HG LEU 19 HG LEU 19 -4.812 2.418 3.319 146 HD11 LEU 19 1HD1 LEU 19 -7.272 2.030 2.855 147 HD12 LEU 19 2HD1 LEU 19 -6.470 3.132 1.737 148 HD13 LEU 19 3HD1 LEU 19 -7.510 3.776 3.025 149 HD21 LEU 19 3HD2 LEU 19 -5.674 5.204 4.192 150 HD22 LEU 19 1HD2 LEU 19 -5.019 4.862 2.565 151 HD23 LEU 19 2HD2 LEU 19 -4.029 4.554 4.005 152 H LEU 20 H LEU 20 -7.389 0.839 7.845 153 HA LEU 20 HA LEU 20 -5.103 0.556 9.260 154 HB2 LEU 20 1HB LEU 20 -7.986 -0.217 9.522 155 HB3 LEU 20 2HB LEU 20 -6.905 -1.324 10.369 156 HG LEU 20 HG LEU 20 -5.761 0.695 11.323 157 HD11 LEU 20 1HD1 LEU 20 -6.677 2.475 9.969 158 HD12 LEU 20 2HD1 LEU 20 -7.107 2.726 11.655 159 HD13 LEU 20 3HD1 LEU 20 -8.329 2.102 10.525 160 HD21 LEU 20 3HD2 LEU 20 -7.313 0.788 13.211 161 HD22 LEU 20 1HD2 LEU 20 -7.257 -0.865 12.595 162 HD23 LEU 20 2HD2 LEU 20 -8.641 0.178 12.205 163 H GLU 21 H GLU 21 -7.026 -2.012 7.893 164 HA GLU 21 HA GLU 21 -5.325 -4.212 8.625 165 HB2 GLU 21 1HB GLU 21 -7.574 -3.940 6.587 166 HB3 GLU 21 2HB GLU 21 -6.957 -5.466 7.200 167 HG2 GLU 21 1HG GLU 21 -8.066 -3.398 9.170 168 HG3 GLU 21 2HG GLU 21 -9.143 -4.322 8.195 169 H LEU 22 H LEU 22 -5.963 -2.284 5.785 170 HA LEU 22 HA LEU 22 -4.764 -3.792 3.753 171 HB2 LEU 22 1HB LEU 22 -6.424 -1.813 3.671 172 HB3 LEU 22 2HB LEU 22 -5.071 -0.776 4.023 173 HG LEU 22 HG LEU 22 -3.963 -1.243 1.971 174 HD11 LEU 22 1HD1 LEU 22 -4.600 -3.540 1.533 175 HD12 LEU 22 2HD1 LEU 22 -4.970 -2.507 0.144 176 HD13 LEU 22 3HD1 LEU 22 -6.288 -3.046 1.217 177 HD21 LEU 22 3HD2 LEU 22 -5.555 0.562 2.055 178 HD22 LEU 22 1HD2 LEU 22 -6.905 -0.529 1.721 179 HD23 LEU 22 2HD2 LEU 22 -5.683 -0.195 0.459 180 H GLU 23 H GLU 23 -3.520 -1.041 5.646 181 HA GLU 23 HA GLU 23 -0.834 -1.097 4.583 182 HB2 GLU 23 1HB GLU 23 -2.092 0.284 7.002 183 HB3 GLU 23 2HB GLU 23 -0.406 0.474 6.513 184 HG2 GLU 23 1HG GLU 23 -1.153 1.261 4.266 185 HG3 GLU 23 2HG GLU 23 -2.833 1.200 4.797 186 H LYS 24 H LYS 24 -2.419 -2.295 7.609 187 HA LYS 24 HA LYS 24 -0.064 -3.109 8.929 188 HB2 LYS 24 1HB LYS 24 -2.200 -2.940 10.059 189 HB3 LYS 24 2HB LYS 24 -2.912 -4.180 9.013 190 HG2 LYS 24 1HG LYS 24 -1.440 -5.882 9.985 191 HG3 LYS 24 2HG LYS 24 -0.661 -4.657 11.000 192 HD2 LYS 24 1HD LYS 24 -2.423 -4.525 12.457 193 HD3 LYS 24 2HD LYS 24 -3.652 -4.763 11.214 194 HE2 LYS 24 1HE LYS 24 -1.825 -7.038 12.073 195 HE3 LYS 24 2HE LYS 24 -3.306 -6.632 12.964 196 HZ1 LYS 24 3HZ LYS 24 -3.271 -7.357 10.086 197 HZ2 LYS 24 1HZ LYS 24 -4.591 -6.992 11.040 198 HZ3 LYS 24 2HZ LYS 24 -3.744 -8.313 11.359 199 H GLU 25 H GLU 25 -2.191 -5.000 6.736 200 HA GLU 25 HA GLU 25 -0.598 -7.362 6.927 201 HB2 GLU 25 1HB GLU 25 -2.945 -6.394 5.344 202 HB3 GLU 25 2HB GLU 25 -1.918 -7.474 4.464 203 HG2 GLU 25 1HG GLU 25 -3.626 -8.723 5.566 204 HG3 GLU 25 2HG GLU 25 -2.035 -9.166 6.192 205 H PHE 26 H PHE 26 0.115 -4.449 5.272 206 HA PHE 26 HA PHE 26 1.806 -5.755 3.260 207 HB2 PHE 26 1HB PHE 26 0.572 -3.241 3.459 208 HB3 PHE 26 2HB PHE 26 2.264 -2.886 3.729 209 HD1 PHE 26 1HD PHE 26 -0.227 -4.296 1.399 210 HD2 PHE 26 2HD PHE 26 3.929 -3.288 1.925 211 HE1 PHE 26 1HE PHE 26 0.153 -4.577 -1.040 212 HE2 PHE 26 2HE PHE 26 4.273 -3.495 -0.551 213 HZ PHE 26 HZ PHE 26 2.407 -4.150 -2.013 214 H HIS 27 H HIS 27 2.064 -5.165 6.589 215 HA HIS 27 HA HIS 27 4.798 -4.276 6.627 216 HB2 HIS 27 1HB HIS 27 2.731 -3.900 8.265 217 HB3 HIS 27 2HB HIS 27 3.374 -5.332 9.058 218 HD1 HIS 27 1HD HIS 27 6.162 -4.923 9.749 219 HD2 HIS 27 2HD HIS 27 3.671 -1.648 8.863 220 HE1 HIS 27 1HE HIS 27 7.470 -2.828 10.429 221 H CYS 28 H CYS 28 3.116 -7.490 7.165 222 HA CYS 28 HA CYS 28 5.654 -8.721 8.023 223 HB2 CYS 28 1HB CYS 28 2.757 -9.663 7.739 224 HB3 CYS 28 2HB CYS 28 4.105 -10.701 8.272 225 HG CYS 28 HG CYS 28 4.786 -9.468 10.353 226 H LYS 29 H LYS 29 3.742 -8.259 5.151 227 HA LYS 29 HA LYS 29 5.605 -9.802 3.526 228 HB2 LYS 29 1HB LYS 29 3.539 -10.711 2.307 229 HB3 LYS 29 2HB LYS 29 4.068 -11.538 3.763 230 HG2 LYS 29 1HG LYS 29 2.254 -10.919 5.020 231 HG3 LYS 29 2HG LYS 29 1.963 -9.439 4.133 232 HD2 LYS 29 1HD LYS 29 1.557 -11.566 2.294 233 HD3 LYS 29 2HD LYS 29 0.710 -11.983 3.811 234 HE2 LYS 29 1HE LYS 29 0.504 -9.307 2.431 235 HE3 LYS 29 2HE LYS 29 -0.515 -10.685 1.970 236 HZ1 LYS 29 3HZ LYS 29 -1.296 -10.761 4.324 237 HZ2 LYS 29 1HZ LYS 29 -1.782 -9.472 3.470 238 HZ3 LYS 29 2HZ LYS 29 -0.547 -9.310 4.548 239 H LYS 30 H LYS 30 6.232 -8.326 2.190 240 HA LYS 30 HA LYS 30 4.659 -5.920 1.648 241 HB2 LYS 30 1HB LYS 30 7.183 -6.171 2.076 242 HB3 LYS 30 2HB LYS 30 7.348 -6.710 0.422 243 HG2 LYS 30 1HG LYS 30 5.886 -4.128 0.932 244 HG3 LYS 30 2HG LYS 30 7.568 -4.148 1.355 245 HD2 LYS 30 1HD LYS 30 7.161 -5.224 -1.375 246 HD3 LYS 30 2HD LYS 30 6.485 -3.609 -1.169 247 HE2 LYS 30 1HE LYS 30 8.712 -3.302 -1.874 248 HE3 LYS 30 2HE LYS 30 8.655 -2.857 -0.165 249 HZ1 LYS 30 3HZ LYS 30 9.557 -5.122 0.312 250 HZ2 LYS 30 1HZ LYS 30 10.568 -4.192 -0.555 251 HZ3 LYS 30 2HZ LYS 30 9.691 -5.396 -1.291 252 H TYR 31 H TYR 31 3.716 -8.644 0.632 253 HA TYR 31 HA TYR 31 3.254 -8.140 -2.197 254 HB2 TYR 31 1HB TYR 31 4.028 -10.529 -2.652 255 HB3 TYR 31 2HB TYR 31 5.307 -9.349 -2.379 256 HD1 TYR 31 2HD TYR 31 6.564 -9.292 -0.228 257 HD2 TYR 31 1HD TYR 31 3.741 -12.436 -1.107 258 HE1 TYR 31 2HE TYR 31 7.438 -10.637 1.698 259 HE2 TYR 31 1HE TYR 31 4.626 -13.761 0.779 260 HH TYR 31 HH TYR 31 6.722 -13.884 2.206 261 H LEU 32 H LEU 32 1.278 -8.968 -2.698 262 HA LEU 32 HA LEU 32 -0.209 -10.631 -0.758 263 HB2 LEU 32 1HB LEU 32 -1.263 -8.816 -2.971 264 HB3 LEU 32 2HB LEU 32 -2.223 -9.726 -1.818 265 HG LEU 32 HG LEU 32 -0.398 -7.370 -1.194 266 HD11 LEU 32 1HD1 LEU 32 -3.426 -7.601 -0.989 267 HD12 LEU 32 2HD1 LEU 32 -2.541 -6.861 -2.337 268 HD13 LEU 32 3HD1 LEU 32 -2.435 -6.168 -0.707 269 HD21 LEU 32 3HD2 LEU 32 -1.377 -7.527 1.106 270 HD22 LEU 32 1HD2 LEU 32 -0.408 -8.930 0.656 271 HD23 LEU 32 2HD2 LEU 32 -2.182 -9.035 0.624 272 H SER 33 H SER 33 0.135 -12.744 -1.390 273 HA SER 33 HA SER 33 -0.018 -13.694 -4.123 274 HB2 SER 33 1HB SER 33 -0.275 -15.005 -1.381 275 HB3 SER 33 2HB SER 33 -0.467 -15.881 -2.897 276 HG SER 33 HG SER 33 1.532 -16.154 -2.611 277 H LEU 34 H LEU 34 -1.816 -12.933 -5.085 278 HA LEU 34 HA LEU 34 -3.934 -12.601 -5.666 279 HB2 LEU 34 1HB LEU 34 -2.923 -15.023 -6.204 280 HB3 LEU 34 2HB LEU 34 -4.371 -15.534 -5.373 281 HG LEU 34 HG LEU 34 -4.917 -15.459 -7.646 282 HD11 LEU 34 1HD1 LEU 34 -6.013 -12.779 -6.677 283 HD12 LEU 34 2HD1 LEU 34 -6.632 -14.361 -6.167 284 HD13 LEU 34 3HD1 LEU 34 -6.719 -13.903 -7.859 285 HD21 LEU 34 3HD2 LEU 34 -3.858 -12.611 -7.907 286 HD22 LEU 34 1HD2 LEU 34 -4.401 -13.714 -9.198 287 HD23 LEU 34 2HD2 LEU 34 -2.940 -14.071 -8.311 288 H THR 35 H THR 35 -4.693 -15.191 -3.290 289 HA THR 35 HA THR 35 -7.297 -14.199 -2.701 290 HB THR 35 HB THR 35 -5.408 -15.832 -0.967 291 HG1 THR 35 1HG THR 35 -5.843 -16.785 -3.006 292 HG21 THR 35 3HG2 THR 35 -8.444 -15.526 -0.888 293 HG22 THR 35 1HG2 THR 35 -7.286 -15.027 0.369 294 HG23 THR 35 2HG2 THR 35 -7.516 -16.737 0.012 295 H GLU 36 H GLU 36 -4.064 -13.323 -1.423 296 HA GLU 36 HA GLU 36 -5.033 -11.956 0.930 297 HB2 GLU 36 1HB GLU 36 -2.385 -11.907 -0.602 298 HB3 GLU 36 2HB GLU 36 -2.658 -11.121 0.959 299 HG2 GLU 36 1HG GLU 36 -2.837 -14.109 0.421 300 HG3 GLU 36 2HG GLU 36 -1.538 -13.268 1.287 301 H ARG 37 H ARG 37 -5.052 -11.261 -2.399 302 HA ARG 37 HA ARG 37 -5.297 -8.376 -1.984 303 HB2 ARG 37 1HB ARG 37 -3.824 -9.537 -3.871 304 HB3 ARG 37 2HB ARG 37 -5.390 -9.747 -4.665 305 HG2 ARG 37 1HG ARG 37 -5.695 -7.171 -4.287 306 HG3 ARG 37 2HG ARG 37 -3.995 -7.176 -3.866 307 HD2 ARG 37 1HD ARG 37 -5.139 -8.133 -6.496 308 HD3 ARG 37 2HD ARG 37 -4.516 -6.519 -6.229 309 HE ARG 37 HE ARG 37 -2.310 -7.616 -5.657 310 HH11 ARG 37 1HH1 ARG 37 -4.618 -9.062 -7.971 311 HH12 ARG 37 2HH1 ARG 37 -3.352 -9.700 -8.987 312 HH21 ARG 37 1HH2 ARG 37 -0.618 -8.641 -7.061 313 HH22 ARG 37 2HH2 ARG 37 -1.230 -9.428 -8.486 314 H SER 38 H SER 38 -7.274 -11.025 -1.805 315 HA SER 38 HA SER 38 -9.619 -9.644 -2.987 316 HB2 SER 38 1HB SER 38 -10.729 -11.721 -3.022 317 HB3 SER 38 2HB SER 38 -9.114 -12.033 -3.673 318 HG SER 38 HG SER 38 -8.593 -12.723 -1.418 319 H GLN 39 H GLN 39 -7.975 -10.364 -0.034 320 HA GLN 39 HA GLN 39 -10.216 -10.993 1.600 321 HB2 GLN 39 1HB GLN 39 -7.356 -10.117 2.230 322 HB3 GLN 39 2HB GLN 39 -8.575 -10.368 3.476 323 HG2 GLN 39 1HG GLN 39 -8.857 -12.710 2.119 324 HG3 GLN 39 2HG GLN 39 -7.153 -12.379 1.773 325 HE21 GLN 39 1HE2 GLN 39 -7.694 -14.683 3.235 326 HE22 GLN 39 2HE2 GLN 39 -7.352 -14.418 4.922 327 H ILE 40 H ILE 40 -8.227 -8.000 1.519 328 HA ILE 40 HA ILE 40 -9.955 -6.623 3.342 329 HB ILE 40 HB ILE 40 -7.821 -5.690 1.375 330 HG12 ILE 40 1HG1 ILE 40 -6.767 -4.995 3.689 331 HG13 ILE 40 2HG1 ILE 40 -7.925 -6.102 4.399 332 HG21 ILE 40 1HG2 ILE 40 -9.465 -4.039 3.338 333 HG22 ILE 40 2HG2 ILE 40 -7.964 -3.466 2.604 334 HG23 ILE 40 3HG2 ILE 40 -9.358 -3.834 1.584 335 HD11 ILE 40 3HD1 ILE 40 -5.669 -7.078 4.090 336 HD12 ILE 40 1HD1 ILE 40 -6.867 -7.974 3.152 337 HD13 ILE 40 2HD1 ILE 40 -5.772 -6.826 2.343 338 H ALA 41 H ALA 41 -10.119 -7.177 -0.107 339 HA ALA 41 HA ALA 41 -12.139 -5.188 -0.713 340 HB1 ALA 41 1HB ALA 41 -12.298 -6.325 -2.868 341 HB2 ALA 41 2HB ALA 41 -10.593 -6.065 -2.458 342 HB3 ALA 41 3HB ALA 41 -11.326 -7.671 -2.282 343 H HIS 42 H HIS 42 -12.368 -8.142 1.060 344 HA HIS 42 HA HIS 42 -15.287 -7.916 0.786 345 HB2 HIS 42 1HB HIS 42 -13.973 -9.936 -0.500 346 HB3 HIS 42 2HB HIS 42 -14.277 -10.704 1.053 347 HD1 HIS 42 1HD HIS 42 -17.167 -9.529 1.683 348 HD2 HIS 42 2HD HIS 42 -15.807 -10.657 -2.147 349 HE1 HIS 42 1HE HIS 42 -19.231 -9.797 0.240 350 H ALA 43 H ALA 43 -12.886 -7.507 2.857 351 HA ALA 43 HA ALA 43 -14.333 -8.612 5.207 352 HB1 ALA 43 1HB ALA 43 -12.020 -9.411 4.989 353 HB2 ALA 43 2HB ALA 43 -11.427 -7.736 4.928 354 HB3 ALA 43 3HB ALA 43 -12.207 -8.355 6.399 355 H LEU 44 H LEU 44 -12.677 -5.618 3.889 356 HA LEU 44 HA LEU 44 -13.821 -4.212 6.247 357 HB2 LEU 44 1HB LEU 44 -11.678 -3.645 4.248 358 HB3 LEU 44 2HB LEU 44 -12.541 -2.239 4.868 359 HG LEU 44 HG LEU 44 -11.289 -4.267 6.746 360 HD11 LEU 44 1HD1 LEU 44 -9.493 -2.406 6.899 361 HD12 LEU 44 2HD1 LEU 44 -10.152 -1.808 5.373 362 HD13 LEU 44 3HD1 LEU 44 -9.467 -3.432 5.460 363 HD21 LEU 44 3HD2 LEU 44 -12.979 -2.803 7.772 364 HD22 LEU 44 1HD2 LEU 44 -12.224 -1.366 7.041 365 HD23 LEU 44 2HD2 LEU 44 -11.372 -2.306 8.276 366 H LYS 45 H LYS 45 -13.533 -2.687 3.101 367 HA LYS 45 HA LYS 45 -16.371 -2.425 2.450 368 HB2 LYS 45 1HB LYS 45 -14.702 -0.137 3.630 369 HB3 LYS 45 2HB LYS 45 -16.243 0.061 2.841 370 HG2 LYS 45 1HG LYS 45 -17.261 -0.080 4.708 371 HG3 LYS 45 2HG LYS 45 -16.869 -1.746 4.809 372 HD2 LYS 45 1HD LYS 45 -14.678 -0.020 5.834 373 HD3 LYS 45 2HD LYS 45 -16.202 0.358 6.585 374 HE2 LYS 45 1HE LYS 45 -14.738 -2.300 6.673 375 HE3 LYS 45 2HE LYS 45 -15.020 -1.161 7.981 376 HZ1 LYS 45 3HZ LYS 45 -17.478 -1.654 7.490 377 HZ2 LYS 45 1HZ LYS 45 -16.577 -2.736 8.356 378 HZ3 LYS 45 2HZ LYS 45 -16.885 -3.055 6.795 379 H LEU 46 H LEU 46 -13.845 -3.301 1.078 380 HA LEU 46 HA LEU 46 -13.413 -1.029 -0.819 381 HB2 LEU 46 1HB LEU 46 -11.366 -3.093 0.111 382 HB3 LEU 46 2HB LEU 46 -11.172 -1.961 -1.214 383 HG LEU 46 HG LEU 46 -11.517 -0.050 0.422 384 HD11 LEU 46 1HD1 LEU 46 -10.675 -0.844 2.807 385 HD12 LEU 46 2HD1 LEU 46 -11.381 -2.381 2.319 386 HD13 LEU 46 3HD1 LEU 46 -12.384 -0.890 2.378 387 HD21 LEU 46 3HD2 LEU 46 -9.058 -1.793 0.875 388 HD22 LEU 46 1HD2 LEU 46 -9.201 -0.044 1.113 389 HD23 LEU 46 2HD2 LEU 46 -9.296 -0.722 -0.510 390 H SER 47 H SER 47 -12.648 -2.022 -2.992 391 HA SER 47 HA SER 47 -13.944 -4.662 -3.506 392 HB2 SER 47 1HB SER 47 -14.415 -2.192 -5.219 393 HB3 SER 47 2HB SER 47 -15.171 -3.786 -5.367 394 HG SER 47 HG SER 47 -16.169 -3.385 -3.305 395 H GLU 48 H GLU 48 -12.860 -5.837 -5.138 396 HA GLU 48 HA GLU 48 -10.185 -5.531 -5.518 397 HB2 GLU 48 1HB GLU 48 -12.244 -6.773 -7.378 398 HB3 GLU 48 2HB GLU 48 -10.533 -6.687 -7.790 399 HG2 GLU 48 1HG GLU 48 -10.150 -7.870 -5.487 400 HG3 GLU 48 2HG GLU 48 -11.829 -8.385 -5.692 401 H VAL 49 H VAL 49 -12.660 -4.334 -7.786 402 HA VAL 49 HA VAL 49 -11.033 -3.467 -9.805 403 HB VAL 49 HB VAL 49 -13.440 -3.710 -9.910 404 HG11 VAL 49 1HG1 VAL 49 -13.610 -1.093 -8.418 405 HG12 VAL 49 2HG1 VAL 49 -14.971 -1.986 -9.136 406 HG13 VAL 49 3HG1 VAL 49 -14.073 -2.696 -7.788 407 HG21 VAL 49 3HG2 VAL 49 -13.930 -1.835 -11.415 408 HG22 VAL 49 1HG2 VAL 49 -12.558 -0.918 -10.762 409 HG23 VAL 49 2HG2 VAL 49 -12.279 -2.416 -11.673 410 H GLN 50 H GLN 50 -11.761 -1.762 -6.814 411 HA GLN 50 HA GLN 50 -10.294 0.640 -7.628 412 HB2 GLN 50 1HB GLN 50 -12.434 -0.004 -5.802 413 HB3 GLN 50 2HB GLN 50 -11.086 0.477 -4.812 414 HG2 GLN 50 1HG GLN 50 -12.398 2.040 -7.030 415 HG3 GLN 50 2HG GLN 50 -12.440 2.410 -5.303 416 HE21 GLN 50 1HE2 GLN 50 -9.693 2.231 -4.589 417 HE22 GLN 50 2HE2 GLN 50 -8.751 3.282 -5.630 418 H VAL 51 H VAL 51 -9.984 -2.180 -5.399 419 HA VAL 51 HA VAL 51 -7.686 -1.322 -4.015 420 HB VAL 51 HB VAL 51 -8.713 -4.101 -4.678 421 HG11 VAL 51 1HG1 VAL 51 -6.462 -3.322 -2.772 422 HG12 VAL 51 2HG1 VAL 51 -7.292 -4.896 -2.762 423 HG13 VAL 51 3HG1 VAL 51 -6.366 -4.403 -4.174 424 HG21 VAL 51 3HG2 VAL 51 -8.811 -2.437 -2.119 425 HG22 VAL 51 1HG2 VAL 51 -10.179 -2.687 -3.220 426 HG23 VAL 51 2HG2 VAL 51 -9.500 -4.052 -2.338 427 H LYS 52 H LYS 52 -7.906 -3.026 -7.191 428 HA LYS 52 HA LYS 52 -5.214 -3.568 -7.483 429 HB2 LYS 52 1HB LYS 52 -5.658 -4.160 -9.613 430 HB3 LYS 52 2HB LYS 52 -7.290 -4.192 -8.931 431 HG2 LYS 52 1HG LYS 52 -7.609 -1.868 -9.802 432 HG3 LYS 52 2HG LYS 52 -6.018 -1.984 -10.567 433 HD2 LYS 52 1HD LYS 52 -7.577 -2.458 -12.299 434 HD3 LYS 52 2HD LYS 52 -6.822 -3.998 -11.856 435 HE2 LYS 52 1HE LYS 52 -8.826 -4.483 -10.398 436 HE3 LYS 52 2HE LYS 52 -9.558 -2.977 -10.973 437 HZ1 LYS 52 3HZ LYS 52 -8.816 -5.271 -12.688 438 HZ2 LYS 52 1HZ LYS 52 -9.603 -3.938 -13.210 439 HZ3 LYS 52 2HZ LYS 52 -10.331 -4.959 -12.156 440 H ILE 53 H ILE 53 -6.594 -0.347 -7.579 441 HA ILE 53 HA ILE 53 -4.260 0.802 -8.980 442 HB ILE 53 HB ILE 53 -6.694 2.008 -7.669 443 HG12 ILE 53 1HG1 ILE 53 -6.678 2.480 -10.523 444 HG13 ILE 53 2HG1 ILE 53 -6.192 0.809 -10.337 445 HG21 ILE 53 1HG2 ILE 53 -4.607 3.410 -9.396 446 HG22 ILE 53 2HG2 ILE 53 -6.170 4.108 -8.836 447 HG23 ILE 53 3HG2 ILE 53 -4.946 3.706 -7.676 448 HD11 ILE 53 3HD1 ILE 53 -8.209 0.403 -8.936 449 HD12 ILE 53 1HD1 ILE 53 -8.711 2.090 -9.203 450 HD13 ILE 53 2HD1 ILE 53 -8.601 0.953 -10.568 451 H TRP 54 H TRP 54 -5.164 0.037 -5.650 452 HA TRP 54 HA TRP 54 -3.650 2.097 -4.374 453 HB2 TRP 54 1HB TRP 54 -5.330 0.505 -3.353 454 HB3 TRP 54 2HB TRP 54 -4.109 -0.743 -3.421 455 HD1 TRP 54 HD TRP 54 -4.786 2.663 -1.707 456 HE1 TRP 54 1HE TRP 54 -3.644 2.640 0.602 457 HE3 TRP 54 3HE TRP 54 -2.325 -1.812 -2.051 458 HZ2 TRP 54 2HZ TRP 54 -1.955 0.899 2.122 459 HZ3 TRP 54 3HZ TRP 54 -1.171 -2.715 -0.072 460 HH2 TRP 54 HH TRP 54 -0.942 -1.379 2.009 461 H PHE 55 H PHE 55 -2.793 -0.993 -5.857 462 HA PHE 55 HA PHE 55 -0.022 -0.990 -4.954 463 HB2 PHE 55 1HB PHE 55 -1.039 -2.402 -7.430 464 HB3 PHE 55 2HB PHE 55 0.364 -2.817 -6.451 465 HD1 PHE 55 2HD PHE 55 -0.043 -3.648 -4.016 466 HD2 PHE 55 1HD PHE 55 -3.190 -3.202 -6.930 467 HE1 PHE 55 2HE PHE 55 -1.612 -4.844 -2.537 468 HE2 PHE 55 1HE PHE 55 -4.742 -4.324 -5.517 469 HZ PHE 55 HZ PHE 55 -4.022 -5.065 -3.178 470 H GLN 56 H GLN 56 -1.732 0.206 -7.834 471 HA GLN 56 HA GLN 56 0.489 1.112 -9.334 472 HB2 GLN 56 1HB GLN 56 -2.003 0.754 -9.916 473 HB3 GLN 56 2HB GLN 56 -2.267 2.372 -9.312 474 HG2 GLN 56 1HG GLN 56 -1.639 3.296 -11.245 475 HG3 GLN 56 2HG GLN 56 -0.068 2.529 -11.139 476 HE21 GLN 56 1HE2 GLN 56 -3.135 0.633 -11.489 477 HE22 GLN 56 2HE2 GLN 56 -2.739 0.060 -13.070 478 H ASN 57 H ASN 57 -0.600 2.199 -6.265 479 HA ASN 57 HA ASN 57 1.196 4.576 -6.497 480 HB2 ASN 57 1HB ASN 57 -1.265 4.264 -4.734 481 HB3 ASN 57 2HB ASN 57 -0.181 5.650 -4.755 482 HD21 ASN 57 1HD2 ASN 57 -3.194 4.979 -5.517 483 HD22 ASN 57 2HD2 ASN 57 -3.407 6.075 -6.859 484 H ARG 58 H ARG 58 0.598 1.655 -4.671 485 HA ARG 58 HA ARG 58 2.306 2.584 -2.575 486 HB2 ARG 58 1HB ARG 58 0.612 0.751 -2.359 487 HB3 ARG 58 2HB ARG 58 1.723 -0.315 -3.241 488 HG2 ARG 58 1HG ARG 58 3.332 -0.270 -1.477 489 HG3 ARG 58 2HG ARG 58 2.672 1.234 -0.810 490 HD2 ARG 58 1HD ARG 58 0.575 -0.037 -0.216 491 HD3 ARG 58 2HD ARG 58 1.417 -1.521 -0.653 492 HE ARG 58 HE ARG 58 2.718 -1.390 1.250 493 HH11 ARG 58 1HH1 ARG 58 0.595 1.398 1.095 494 HH12 ARG 58 2HH1 ARG 58 1.195 2.186 2.508 495 HH21 ARG 58 1HH2 ARG 58 3.511 -0.420 3.314 496 HH22 ARG 58 2HH2 ARG 58 2.891 1.112 3.747 497 H ARG 59 H ARG 59 3.789 3.488 -3.939 498 HA ARG 59 HA ARG 59 6.130 3.799 -4.107 499 HB2 ARG 59 1HB ARG 59 6.583 0.794 -4.133 500 HB3 ARG 59 2HB ARG 59 7.783 2.064 -4.153 501 HG2 ARG 59 1HG ARG 59 6.357 2.696 -1.862 502 HG3 ARG 59 2HG ARG 59 6.297 0.938 -1.857 503 HD2 ARG 59 1HD ARG 59 8.808 2.672 -2.047 504 HD3 ARG 59 2HD ARG 59 8.212 1.880 -0.581 505 HE ARG 59 HE ARG 59 8.663 -0.009 -2.739 506 HH11 ARG 59 1HH1 ARG 59 10.567 2.011 -0.469 507 HH12 ARG 59 2HH1 ARG 59 11.812 0.803 -0.325 508 HH21 ARG 59 1HH2 ARG 59 10.446 -1.525 -2.507 509 HH22 ARG 59 2HH2 ARG 59 11.764 -1.092 -1.447 510 H ALA 60 H ALA 60 3.818 2.939 -6.030 511 HA ALA 60 HA ALA 60 5.540 2.938 -8.449 512 HB1 ALA 60 1HB ALA 60 3.615 2.058 -9.656 513 HB2 ALA 60 2HB ALA 60 4.057 0.993 -8.304 514 HB3 ALA 60 3HB ALA 60 2.661 2.067 -8.154 515 H LYS 61 H LYS 61 3.584 4.922 -6.420 516 HA LYS 61 HA LYS 61 1.895 6.189 -8.176 517 HB2 LYS 61 1HB LYS 61 2.066 6.404 -5.607 518 HB3 LYS 61 2HB LYS 61 3.299 7.621 -5.853 519 HG2 LYS 61 1HG LYS 61 0.750 8.038 -7.359 520 HG3 LYS 61 2HG LYS 61 0.597 8.044 -5.597 521 HD2 LYS 61 1HD LYS 61 2.263 9.873 -5.447 522 HD3 LYS 61 2HD LYS 61 2.502 9.814 -7.192 523 HE2 LYS 61 1HE LYS 61 0.978 11.579 -6.879 524 HE3 LYS 61 2HE LYS 61 -0.009 10.242 -7.458 525 HZ1 LYS 61 3HZ LYS 61 0.196 11.222 -4.671 526 HZ2 LYS 61 1HZ LYS 61 -0.664 9.889 -5.070 527 HZ3 LYS 61 2HZ LYS 61 -1.067 11.366 -5.682 528 H TRP 62 H TRP 62 5.248 7.232 -7.380 529 HA TRP 62 HA TRP 62 5.140 9.418 -9.351 530 HB2 TRP 62 1HB TRP 62 7.545 8.364 -7.845 531 HB3 TRP 62 2HB TRP 62 7.329 9.910 -8.642 532 HD1 TRP 62 HD TRP 62 5.129 11.387 -7.456 533 HE1 TRP 62 1HE TRP 62 4.656 11.758 -4.988 534 HE3 TRP 62 3HE TRP 62 8.016 7.651 -5.539 535 HZ2 TRP 62 2HZ TRP 62 5.415 10.534 -2.449 536 HZ3 TRP 62 3HZ TRP 62 8.183 7.276 -3.111 537 HH2 TRP 62 HH TRP 62 6.877 8.726 -1.529 538 H LYS 63 H LYS 63 6.867 6.365 -8.864 539 HA LYS 63 HA LYS 63 8.496 6.156 -11.074 540 HB2 LYS 63 1HB LYS 63 7.074 4.284 -9.191 541 HB3 LYS 63 2HB LYS 63 7.513 3.580 -10.716 542 HG2 LYS 63 1HG LYS 63 9.286 3.010 -9.453 543 HG3 LYS 63 2HG LYS 63 9.909 4.427 -10.274 544 HD2 LYS 63 1HD LYS 63 9.566 5.778 -8.207 545 HD3 LYS 63 2HD LYS 63 8.876 4.341 -7.402 546 HE2 LYS 63 1HE LYS 63 10.994 3.088 -7.939 547 HE3 LYS 63 2HE LYS 63 11.671 4.564 -8.622 548 HZ1 LYS 63 3HZ LYS 63 11.568 5.577 -6.448 549 HZ2 LYS 63 1HZ LYS 63 12.387 4.132 -6.356 550 HZ3 LYS 63 2HZ LYS 63 10.869 4.219 -5.799 551 H ARG 64 H ARG 64 4.949 5.509 -11.092 552 HA ARG 64 HA ARG 64 4.788 4.299 -13.620 553 HB2 ARG 64 1HB ARG 64 2.908 5.996 -12.070 554 HB3 ARG 64 2HB ARG 64 2.424 5.307 -13.611 555 HG2 ARG 64 1HG ARG 64 3.519 3.497 -11.437 556 HG3 ARG 64 2HG ARG 64 1.878 4.107 -11.317 557 HD2 ARG 64 1HD ARG 64 1.829 1.934 -12.332 558 HD3 ARG 64 2HD ARG 64 1.298 3.159 -13.476 559 HE ARG 64 HE ARG 64 4.067 1.996 -13.495 560 HH11 ARG 64 1HH1 ARG 64 1.144 2.916 -15.358 561 HH12 ARG 64 2HH1 ARG 64 1.651 1.999 -16.757 562 HH21 ARG 64 1HH2 ARG 64 4.629 0.808 -15.366 563 HH22 ARG 64 2HH2 ARG 64 3.774 1.031 -16.829 564 H ILE 65 H ILE 65 4.585 7.803 -12.855 565 HA ILE 65 HA ILE 65 4.358 8.567 -15.673 566 HB ILE 65 HB ILE 65 5.017 10.171 -13.158 567 HG12 ILE 65 1HG1 ILE 65 2.441 9.745 -14.714 568 HG13 ILE 65 2HG1 ILE 65 2.767 9.369 -13.022 569 HG21 ILE 65 1HG2 ILE 65 4.274 11.330 -15.874 570 HG22 ILE 65 2HG2 ILE 65 4.795 12.193 -14.408 571 HG23 ILE 65 3HG2 ILE 65 5.944 11.219 -15.290 572 HD11 ILE 65 3HD1 ILE 65 2.400 12.113 -14.277 573 HD12 ILE 65 1HD1 ILE 65 1.413 11.328 -13.055 574 HD13 ILE 65 2HD1 ILE 65 3.041 11.887 -12.631 575 H LYS 66 H LYS 66 6.807 8.641 -13.100 576 HA LYS 66 HA LYS 66 8.964 9.435 -14.802 577 HB2 LYS 66 1HB LYS 66 8.359 9.544 -12.116 578 HB3 LYS 66 2HB LYS 66 9.527 8.240 -12.090 579 HG2 LYS 66 1HG LYS 66 10.117 10.818 -13.592 580 HG3 LYS 66 2HG LYS 66 10.164 10.838 -11.845 581 HD2 LYS 66 1HD LYS 66 11.742 8.721 -13.309 582 HD3 LYS 66 2HD LYS 66 12.318 10.392 -13.253 583 HE2 LYS 66 1HE LYS 66 11.799 10.065 -10.626 584 HE3 LYS 66 2HE LYS 66 12.093 8.366 -11.067 585 HZ1 LYS 66 3HZ LYS 66 14.174 9.312 -10.484 586 HZ2 LYS 66 1HZ LYS 66 13.892 10.689 -11.327 587 HZ3 LYS 66 2HZ LYS 66 14.200 9.309 -12.143 588 H ALA 67 H ALA 67 7.631 7.001 -15.735 589 HA ALA 67 HA ALA 67 9.660 4.873 -15.561 590 HB1 ALA 67 1HB ALA 67 7.050 5.129 -17.126 591 HB2 ALA 67 2HB ALA 67 8.147 3.743 -17.199 592 HB3 ALA 67 3HB ALA 67 7.324 4.145 -15.676 593 H GLY 68 H GLY 68 11.398 6.168 -16.241 594 HA2 GLY 68 1HA GLY 68 12.902 6.748 -17.898 595 HA3 GLY 68 2HA GLY 68 11.647 6.565 -19.136 596 H ASN 69 H ASN 69 10.628 8.356 -19.872 597 HA ASN 69 HA ASN 69 11.291 10.996 -18.696 598 HB2 ASN 69 1HB ASN 69 12.272 11.518 -21.010 599 HB3 ASN 69 2HB ASN 69 13.269 10.675 -19.824 600 HD21 ASN 69 1HD2 ASN 69 11.292 10.209 -22.711 601 HD22 ASN 69 2HD2 ASN 69 12.275 8.899 -23.396 602 H VAL 70 H VAL 70 9.124 11.354 -18.493 603 HA VAL 70 HA VAL 70 7.679 12.164 -20.910 604 HB VAL 70 HB VAL 70 6.391 10.337 -18.822 605 HG11 VAL 70 1HG1 VAL 70 4.800 11.798 -19.952 606 HG12 VAL 70 2HG1 VAL 70 5.449 11.350 -21.541 607 HG13 VAL 70 3HG1 VAL 70 4.592 10.149 -20.550 608 HG21 VAL 70 3HG2 VAL 70 7.445 9.553 -21.560 609 HG22 VAL 70 1HG2 VAL 70 7.943 8.914 -19.968 610 HG23 VAL 70 2HG2 VAL 70 6.325 8.575 -20.594 611 H SER 71 H SER 71 6.505 13.968 -20.460 612 HA SER 71 HA SER 71 5.142 14.256 -18.001 613 HB2 SER 71 1HB SER 71 6.866 16.592 -18.998 614 HB3 SER 71 2HB SER 71 5.545 16.719 -17.833 615 HG SER 71 HG SER 71 8.105 15.590 -17.553 Start of MODEL 14 1 H1 SER 1 H SER 1 -4.860 26.851 -1.288 2 HA SER 1 HA SER 1 -3.663 28.443 0.085 3 HB2 SER 1 1HB SER 1 -6.299 28.628 1.590 4 HB3 SER 1 2HB SER 1 -4.816 29.521 1.959 5 HG SER 1 HG SER 1 -6.402 30.679 0.680 6 H ALA 2 H ALA 2 -2.892 25.991 0.025 7 HA ALA 2 HA ALA 2 -2.940 25.045 2.808 8 HB1 ALA 2 1HB ALA 2 -4.777 23.803 1.660 9 HB2 ALA 2 2HB ALA 2 -3.626 23.292 0.402 10 HB3 ALA 2 3HB ALA 2 -3.421 22.733 2.063 11 HA PRO 3 HA PRO 3 1.236 23.686 1.462 12 HB2 PRO 3 1HB PRO 3 1.900 22.114 3.573 13 HB3 PRO 3 2HB PRO 3 1.854 23.895 3.713 14 HG2 PRO 3 1HG PRO 3 -0.288 21.911 4.517 15 HG3 PRO 3 2HG PRO 3 0.358 23.284 5.464 16 HD2 PRO 3 1HD PRO 3 -1.955 23.399 3.985 17 HD3 PRO 3 2HD PRO 3 -0.914 24.827 4.268 18 H GLY 4 H GLY 4 2.157 21.274 1.303 19 HA2 GLY 4 1HA GLY 4 1.082 18.904 1.276 20 HA3 GLY 4 2HA GLY 4 0.036 19.620 0.044 21 H GLY 5 H GLY 5 2.219 21.386 -1.013 22 HA2 GLY 5 1HA GLY 5 4.047 21.326 -2.408 23 HA3 GLY 5 2HA GLY 5 4.450 19.710 -1.805 24 H LYS 6 H LYS 6 4.964 19.171 -4.017 25 HA LYS 6 HA LYS 6 3.512 19.449 -6.302 26 HB2 LYS 6 1HB LYS 6 5.802 18.578 -6.102 27 HB3 LYS 6 2HB LYS 6 5.191 17.069 -5.420 28 HG2 LYS 6 1HG LYS 6 4.111 16.481 -7.529 29 HG3 LYS 6 2HG LYS 6 4.530 18.059 -8.231 30 HD2 LYS 6 1HD LYS 6 6.924 17.573 -7.988 31 HD3 LYS 6 2HD LYS 6 6.529 16.022 -7.213 32 HE2 LYS 6 1HE LYS 6 5.491 15.214 -9.271 33 HE3 LYS 6 2HE LYS 6 5.785 16.763 -10.078 34 HZ1 LYS 6 3HZ LYS 6 7.438 14.818 -10.387 35 HZ2 LYS 6 1HZ LYS 6 8.035 15.259 -8.925 36 HZ3 LYS 6 2HZ LYS 6 8.058 16.335 -10.150 37 H SER 7 H SER 7 1.461 18.978 -6.780 38 HA SER 7 HA SER 7 -0.260 17.402 -5.301 39 HB2 SER 7 1HB SER 7 -1.506 17.411 -7.663 40 HB3 SER 7 2HB SER 7 -1.414 18.823 -6.620 41 HG SER 7 HG SER 7 -0.826 18.956 -8.996 42 H ARG 8 H ARG 8 -0.424 15.257 -5.013 43 HA ARG 8 HA ARG 8 0.354 13.389 -7.215 44 HB2 ARG 8 1HB ARG 8 1.248 12.882 -4.970 45 HB3 ARG 8 2HB ARG 8 -0.391 12.877 -4.290 46 HG2 ARG 8 1HG ARG 8 -1.012 10.935 -5.593 47 HG3 ARG 8 2HG ARG 8 0.472 11.006 -6.542 48 HD2 ARG 8 1HD ARG 8 0.219 10.369 -3.575 49 HD3 ARG 8 2HD ARG 8 0.512 9.207 -4.859 50 HE ARG 8 HE ARG 8 2.400 10.774 -3.446 51 HH11 ARG 8 1HH1 ARG 8 1.946 9.543 -6.751 52 HH12 ARG 8 2HH1 ARG 8 3.528 9.964 -7.295 53 HH21 ARG 8 1HH2 ARG 8 4.588 10.788 -3.956 54 HH22 ARG 8 2HH2 ARG 8 5.167 10.421 -5.569 55 H ARG 9 H ARG 9 -1.269 12.039 -8.109 56 HA ARG 9 HA ARG 9 -3.964 12.997 -8.206 57 HB2 ARG 9 1HB ARG 9 -2.824 10.342 -9.192 58 HB3 ARG 9 2HB ARG 9 -4.340 11.092 -9.691 59 HG2 ARG 9 1HG ARG 9 -3.041 12.948 -10.763 60 HG3 ARG 9 2HG ARG 9 -1.537 12.088 -10.324 61 HD2 ARG 9 1HD ARG 9 -2.381 10.063 -11.521 62 HD3 ARG 9 2HD ARG 9 -3.799 10.982 -12.039 63 HE ARG 9 HE ARG 9 -2.563 12.059 -13.626 64 HH11 ARG 9 1HH1 ARG 9 -0.257 10.181 -11.587 65 HH12 ARG 9 2HH1 ARG 9 0.973 10.256 -12.813 66 HH21 ARG 9 1HH2 ARG 9 -0.934 11.982 -15.190 67 HH22 ARG 9 2HH2 ARG 9 0.609 11.270 -14.823 68 H ARG 10 H ARG 10 -3.867 12.658 -5.563 69 HA ARG 10 HA ARG 10 -4.210 9.957 -4.628 70 HB2 ARG 10 1HB ARG 10 -4.423 11.023 -2.448 71 HB3 ARG 10 2HB ARG 10 -2.960 11.486 -3.298 72 HG2 ARG 10 1HG ARG 10 -3.634 13.678 -3.596 73 HG3 ARG 10 2HG ARG 10 -5.369 13.321 -3.425 74 HD2 ARG 10 1HD ARG 10 -5.322 13.360 -1.162 75 HD3 ARG 10 2HD ARG 10 -3.718 12.650 -1.050 76 HE ARG 10 HE ARG 10 -4.430 15.489 -1.240 77 HH11 ARG 10 1HH1 ARG 10 -1.819 13.083 -1.029 78 HH12 ARG 10 2HH1 ARG 10 -0.585 14.258 -0.691 79 HH21 ARG 10 1HH2 ARG 10 -2.839 16.998 -0.696 80 HH22 ARG 10 2HH2 ARG 10 -1.193 16.526 -0.412 81 H ARG 11 H ARG 11 -6.231 10.510 -6.433 82 HA ARG 11 HA ARG 11 -8.767 11.143 -5.297 83 HB2 ARG 11 1HB ARG 11 -9.631 10.639 -7.446 84 HB3 ARG 11 2HB ARG 11 -8.090 11.498 -7.557 85 HG2 ARG 11 1HG ARG 11 -7.036 9.140 -7.688 86 HG3 ARG 11 2HG ARG 11 -8.651 8.581 -8.074 87 HD2 ARG 11 1HD ARG 11 -7.102 10.712 -9.625 88 HD3 ARG 11 2HD ARG 11 -7.207 9.001 -10.095 89 HE ARG 11 HE ARG 11 -9.840 9.867 -9.804 90 HH11 ARG 11 1HH1 ARG 11 -7.112 10.654 -11.986 91 HH12 ARG 11 2HH1 ARG 11 -8.136 11.006 -13.324 92 HH21 ARG 11 1HH2 ARG 11 -11.128 10.312 -11.541 93 HH22 ARG 11 2HH2 ARG 11 -10.486 10.894 -13.046 94 H THR 12 H THR 12 -7.384 8.957 -3.855 95 HA THR 12 HA THR 12 -8.524 6.406 -4.617 96 HB THR 12 HB THR 12 -7.479 6.911 -1.818 97 HG1 THR 12 1HG THR 12 -5.385 6.753 -2.591 98 HG21 THR 12 3HG2 THR 12 -6.543 4.695 -2.138 99 HG22 THR 12 1HG2 THR 12 -7.110 4.670 -3.827 100 HG23 THR 12 2HG2 THR 12 -8.272 4.716 -2.478 101 H ALA 13 H ALA 13 -10.555 5.627 -4.170 102 HA ALA 13 HA ALA 13 -12.299 7.106 -2.303 103 HB1 ALA 13 1HB ALA 13 -12.850 4.968 -4.394 104 HB2 ALA 13 2HB ALA 13 -14.078 5.691 -3.334 105 HB3 ALA 13 3HB ALA 13 -13.228 6.701 -4.497 106 H PHE 14 H PHE 14 -10.681 6.186 -0.547 107 HA PHE 14 HA PHE 14 -12.197 4.025 0.728 108 HB2 PHE 14 1HB PHE 14 -9.173 4.215 0.837 109 HB3 PHE 14 2HB PHE 14 -10.187 2.968 1.582 110 HD1 PHE 14 2HD PHE 14 -11.858 1.990 -0.656 111 HD2 PHE 14 1HD PHE 14 -7.752 3.223 -0.566 112 HE1 PHE 14 2HE PHE 14 -11.333 0.358 -2.454 113 HE2 PHE 14 1HE PHE 14 -7.207 1.638 -2.370 114 HZ PHE 14 HZ PHE 14 -8.985 0.131 -3.282 115 H THR 15 H THR 15 -10.666 4.084 3.101 116 HA THR 15 HA THR 15 -10.431 6.837 3.983 117 HB THR 15 HB THR 15 -12.435 6.820 4.935 118 HG1 THR 15 1HG THR 15 -12.528 6.083 6.940 119 HG21 THR 15 3HG2 THR 15 -12.526 3.808 4.887 120 HG22 THR 15 1HG2 THR 15 -13.289 4.853 3.671 121 HG23 THR 15 2HG2 THR 15 -13.890 4.865 5.340 122 H SER 16 H SER 16 -9.092 6.969 5.892 123 HA SER 16 HA SER 16 -7.026 5.030 6.027 124 HB2 SER 16 1HB SER 16 -7.491 7.083 8.140 125 HB3 SER 16 2HB SER 16 -5.996 6.516 7.338 126 HG SER 16 HG SER 16 -6.714 8.641 6.837 127 H GLU 17 H GLU 17 -10.199 5.044 7.444 128 HA GLU 17 HA GLU 17 -9.445 3.456 9.831 129 HB2 GLU 17 1HB GLU 17 -11.935 4.447 8.536 130 HB3 GLU 17 2HB GLU 17 -12.091 2.851 9.229 131 HG2 GLU 17 1HG GLU 17 -11.787 3.548 11.387 132 HG3 GLU 17 2HG GLU 17 -10.793 4.936 10.939 133 H GLN 18 H GLN 18 -10.471 2.886 6.502 134 HA GLN 18 HA GLN 18 -10.750 -0.014 6.823 135 HB2 GLN 18 1HB GLN 18 -10.808 1.929 4.462 136 HB3 GLN 18 2HB GLN 18 -10.834 0.183 4.238 137 HG2 GLN 18 1HG GLN 18 -12.899 -0.050 5.479 138 HG3 GLN 18 2HG GLN 18 -12.826 1.615 6.034 139 HE21 GLN 18 1HE2 GLN 18 -12.494 0.226 2.614 140 HE22 GLN 18 2HE2 GLN 18 -13.760 1.280 2.021 141 H LEU 19 H LEU 19 -8.391 2.268 5.445 142 HA LEU 19 HA LEU 19 -6.549 0.403 4.367 143 HB2 LEU 19 1HB LEU 19 -6.564 3.289 5.134 144 HB3 LEU 19 2HB LEU 19 -4.975 2.547 4.990 145 HG LEU 19 HG LEU 19 -5.296 1.940 2.713 146 HD11 LEU 19 1HD1 LEU 19 -8.097 3.117 2.762 147 HD12 LEU 19 2HD1 LEU 19 -7.785 1.384 2.792 148 HD13 LEU 19 3HD1 LEU 19 -7.253 2.317 1.414 149 HD21 LEU 19 3HD2 LEU 19 -4.629 4.267 3.135 150 HD22 LEU 19 1HD2 LEU 19 -6.330 4.770 3.270 151 HD23 LEU 19 2HD2 LEU 19 -5.707 4.185 1.701 152 H LEU 20 H LEU 20 -7.222 0.598 7.710 153 HA LEU 20 HA LEU 20 -4.536 0.315 8.713 154 HB2 LEU 20 1HB LEU 20 -7.363 -0.172 9.671 155 HB3 LEU 20 2HB LEU 20 -6.067 -0.988 10.524 156 HG LEU 20 HG LEU 20 -5.918 2.001 9.989 157 HD11 LEU 20 1HD1 LEU 20 -7.187 0.572 12.360 158 HD12 LEU 20 2HD1 LEU 20 -8.022 1.579 11.161 159 HD13 LEU 20 3HD1 LEU 20 -6.848 2.322 12.267 160 HD21 LEU 20 3HD2 LEU 20 -4.691 0.252 12.175 161 HD22 LEU 20 1HD2 LEU 20 -4.356 1.972 11.862 162 HD23 LEU 20 2HD2 LEU 20 -3.833 0.739 10.711 163 H GLU 21 H GLU 21 -7.067 -1.925 7.546 164 HA GLU 21 HA GLU 21 -5.567 -4.302 8.212 165 HB2 GLU 21 1HB GLU 21 -7.877 -3.785 6.296 166 HB3 GLU 21 2HB GLU 21 -7.320 -5.394 6.755 167 HG2 GLU 21 1HG GLU 21 -8.232 -3.338 8.844 168 HG3 GLU 21 2HG GLU 21 -9.345 -4.412 8.071 169 H LEU 22 H LEU 22 -5.708 -2.190 5.454 170 HA LEU 22 HA LEU 22 -4.180 -3.819 3.594 171 HB2 LEU 22 1HB LEU 22 -5.061 -0.959 3.802 172 HB3 LEU 22 2HB LEU 22 -3.644 -1.218 2.840 173 HG LEU 22 HG LEU 22 -6.182 -2.806 2.444 174 HD11 LEU 22 1HD1 LEU 22 -6.764 -0.485 2.165 175 HD12 LEU 22 2HD1 LEU 22 -6.784 -1.285 0.607 176 HD13 LEU 22 3HD1 LEU 22 -5.410 -0.220 1.040 177 HD21 LEU 22 3HD2 LEU 22 -4.167 -3.778 1.376 178 HD22 LEU 22 1HD2 LEU 22 -3.864 -2.245 0.540 179 HD23 LEU 22 2HD2 LEU 22 -5.316 -3.217 0.172 180 H GLU 23 H GLU 23 -3.439 -1.157 5.873 181 HA GLU 23 HA GLU 23 -0.656 -1.257 5.360 182 HB2 GLU 23 1HB GLU 23 -2.377 0.045 7.498 183 HB3 GLU 23 2HB GLU 23 -0.608 0.085 7.632 184 HG2 GLU 23 1HG GLU 23 -0.357 1.062 5.467 185 HG3 GLU 23 2HG GLU 23 -2.071 0.911 5.081 186 H LYS 24 H LYS 24 -2.631 -2.983 7.722 187 HA LYS 24 HA LYS 24 -0.451 -3.914 9.285 188 HB2 LYS 24 1HB LYS 24 -2.948 -3.879 9.902 189 HB3 LYS 24 2HB LYS 24 -3.138 -5.315 8.896 190 HG2 LYS 24 1HG LYS 24 -2.905 -6.019 11.166 191 HG3 LYS 24 2HG LYS 24 -1.406 -6.450 10.330 192 HD2 LYS 24 1HD LYS 24 -0.206 -4.637 11.316 193 HD3 LYS 24 2HD LYS 24 -1.672 -3.869 11.922 194 HE2 LYS 24 1HE LYS 24 -0.709 -6.595 12.885 195 HE3 LYS 24 2HE LYS 24 -0.165 -5.070 13.598 196 HZ1 LYS 24 3HZ LYS 24 -2.967 -6.005 13.544 197 HZ2 LYS 24 1HZ LYS 24 -2.481 -4.535 14.072 198 HZ3 LYS 24 2HZ LYS 24 -1.972 -5.877 14.855 199 H GLU 25 H GLU 25 -2.208 -5.465 6.515 200 HA GLU 25 HA GLU 25 -0.485 -7.770 6.495 201 HB2 GLU 25 1HB GLU 25 -2.686 -6.772 4.906 202 HB3 GLU 25 2HB GLU 25 -1.342 -7.108 3.819 203 HG2 GLU 25 1HG GLU 25 -2.851 -9.026 4.039 204 HG3 GLU 25 2HG GLU 25 -1.198 -9.399 4.536 205 H PHE 26 H PHE 26 -0.274 -4.623 4.859 206 HA PHE 26 HA PHE 26 2.079 -5.463 3.415 207 HB2 PHE 26 1HB PHE 26 0.222 -3.510 2.971 208 HB3 PHE 26 2HB PHE 26 1.589 -2.552 3.506 209 HD1 PHE 26 1HD PHE 26 3.794 -2.766 2.218 210 HD2 PHE 26 2HD PHE 26 0.177 -4.680 0.882 211 HE1 PHE 26 1HE PHE 26 4.769 -3.011 -0.008 212 HE2 PHE 26 2HE PHE 26 1.162 -4.964 -1.373 213 HZ PHE 26 HZ PHE 26 3.462 -4.137 -1.847 214 H HIS 27 H HIS 27 1.854 -4.858 6.596 215 HA HIS 27 HA HIS 27 4.538 -3.646 6.937 216 HB2 HIS 27 1HB HIS 27 2.664 -2.921 8.353 217 HB3 HIS 27 2HB HIS 27 2.431 -4.577 8.924 218 HD1 HIS 27 1HD HIS 27 3.634 -5.107 11.092 219 HD2 HIS 27 2HD HIS 27 5.186 -1.804 8.986 220 HE1 HIS 27 1HE HIS 27 5.466 -4.082 12.581 221 H CYS 28 H CYS 28 2.825 -6.773 6.980 222 HA CYS 28 HA CYS 28 5.130 -8.198 8.133 223 HB2 CYS 28 1HB CYS 28 2.445 -9.152 7.053 224 HB3 CYS 28 2HB CYS 28 3.679 -10.184 7.799 225 HG CYS 28 HG CYS 28 3.782 -8.959 10.096 226 H LYS 29 H LYS 29 3.508 -7.701 4.977 227 HA LYS 29 HA LYS 29 5.742 -9.133 3.606 228 HB2 LYS 29 1HB LYS 29 3.912 -9.795 1.952 229 HB3 LYS 29 2HB LYS 29 3.959 -10.676 3.480 230 HG2 LYS 29 1HG LYS 29 2.009 -9.533 4.296 231 HG3 LYS 29 2HG LYS 29 2.100 -8.318 3.014 232 HD2 LYS 29 1HD LYS 29 0.290 -9.824 2.518 233 HD3 LYS 29 2HD LYS 29 1.577 -10.015 1.331 234 HE2 LYS 29 1HE LYS 29 0.859 -12.156 1.721 235 HE3 LYS 29 2HE LYS 29 2.401 -12.014 2.567 236 HZ1 LYS 29 3HZ LYS 29 0.959 -11.547 4.633 237 HZ2 LYS 29 1HZ LYS 29 0.965 -13.078 4.066 238 HZ3 LYS 29 2HZ LYS 29 -0.309 -12.120 3.754 239 H LYS 30 H LYS 30 6.312 -8.302 1.561 240 HA LYS 30 HA LYS 30 5.456 -5.516 1.106 241 HB2 LYS 30 1HB LYS 30 7.922 -6.501 1.167 242 HB3 LYS 30 2HB LYS 30 7.620 -6.883 -0.517 243 HG2 LYS 30 1HG LYS 30 7.302 -4.158 0.793 244 HG3 LYS 30 2HG LYS 30 8.765 -4.704 -0.023 245 HD2 LYS 30 1HD LYS 30 7.484 -4.860 -2.153 246 HD3 LYS 30 2HD LYS 30 6.064 -4.212 -1.308 247 HE2 LYS 30 1HE LYS 30 7.413 -2.172 -0.709 248 HE3 LYS 30 2HE LYS 30 8.710 -2.815 -1.743 249 HZ1 LYS 30 3HZ LYS 30 7.472 -1.431 -3.147 250 HZ2 LYS 30 1HZ LYS 30 6.025 -1.888 -2.578 251 HZ3 LYS 30 2HZ LYS 30 6.907 -2.917 -3.516 252 H TYR 31 H TYR 31 3.437 -7.521 0.545 253 HA TYR 31 HA TYR 31 2.883 -7.143 -2.209 254 HB2 TYR 31 1HB TYR 31 3.074 -9.516 -2.930 255 HB3 TYR 31 2HB TYR 31 4.629 -8.817 -2.585 256 HD1 TYR 31 1HD TYR 31 2.113 -11.269 -1.494 257 HD2 TYR 31 2HD TYR 31 5.992 -9.551 -0.634 258 HE1 TYR 31 1HE TYR 31 2.501 -13.028 0.191 259 HE2 TYR 31 2HE TYR 31 6.383 -11.359 1.038 260 HH TYR 31 HH TYR 31 5.429 -13.584 1.877 261 H LEU 32 H LEU 32 1.187 -9.365 -2.450 262 HA LEU 32 HA LEU 32 -0.455 -9.918 -0.249 263 HB2 LEU 32 1HB LEU 32 -1.437 -7.864 -2.267 264 HB3 LEU 32 2HB LEU 32 -2.551 -9.026 -1.556 265 HG LEU 32 HG LEU 32 -0.950 -7.030 0.097 266 HD11 LEU 32 1HD1 LEU 32 -2.490 -5.905 -1.387 267 HD12 LEU 32 2HD1 LEU 32 -3.134 -5.867 0.250 268 HD13 LEU 32 3HD1 LEU 32 -3.813 -7.014 -0.918 269 HD21 LEU 32 3HD2 LEU 32 -3.352 -8.782 0.813 270 HD22 LEU 32 1HD2 LEU 32 -2.553 -7.628 1.867 271 HD23 LEU 32 2HD2 LEU 32 -1.678 -9.060 1.371 272 H SER 33 H SER 33 -0.241 -12.058 -0.929 273 HA SER 33 HA SER 33 -0.390 -12.900 -3.669 274 HB2 SER 33 1HB SER 33 -0.852 -14.401 -1.049 275 HB3 SER 33 2HB SER 33 -0.571 -15.141 -2.637 276 HG SER 33 HG SER 33 1.448 -14.986 -1.675 277 H LEU 34 H LEU 34 -2.281 -14.361 -4.389 278 HA LEU 34 HA LEU 34 -4.316 -12.525 -4.817 279 HB2 LEU 34 1HB LEU 34 -3.615 -14.745 -6.076 280 HB3 LEU 34 2HB LEU 34 -4.905 -15.461 -5.133 281 HG LEU 34 HG LEU 34 -5.670 -14.918 -7.326 282 HD11 LEU 34 1HD1 LEU 34 -6.963 -12.827 -5.538 283 HD12 LEU 34 2HD1 LEU 34 -7.316 -14.570 -5.464 284 HD13 LEU 34 3HD1 LEU 34 -7.657 -13.653 -6.935 285 HD21 LEU 34 3HD2 LEU 34 -4.941 -12.008 -6.837 286 HD22 LEU 34 1HD2 LEU 34 -5.725 -12.683 -8.274 287 HD23 LEU 34 2HD2 LEU 34 -4.063 -13.143 -7.886 288 H THR 35 H THR 35 -4.448 -15.328 -2.584 289 HA THR 35 HA THR 35 -6.999 -15.158 -1.568 290 HB THR 35 HB THR 35 -4.543 -15.525 0.186 291 HG1 THR 35 1HG THR 35 -3.897 -17.079 -0.871 292 HG21 THR 35 3HG2 THR 35 -6.719 -15.758 1.294 293 HG22 THR 35 1HG2 THR 35 -5.861 -17.293 1.236 294 HG23 THR 35 2HG2 THR 35 -7.211 -16.991 0.111 295 H GLU 36 H GLU 36 -4.193 -13.113 -0.802 296 HA GLU 36 HA GLU 36 -5.109 -12.258 1.767 297 HB2 GLU 36 1HB GLU 36 -2.961 -11.023 0.022 298 HB3 GLU 36 2HB GLU 36 -3.113 -10.922 1.766 299 HG2 GLU 36 1HG GLU 36 -2.627 -13.557 0.320 300 HG3 GLU 36 2HG GLU 36 -1.321 -12.459 0.758 301 H ARG 37 H ARG 37 -4.834 -10.897 -1.479 302 HA ARG 37 HA ARG 37 -5.788 -8.273 -0.849 303 HB2 ARG 37 1HB ARG 37 -4.436 -8.813 -2.827 304 HB3 ARG 37 2HB ARG 37 -5.753 -9.787 -3.494 305 HG2 ARG 37 1HG ARG 37 -6.579 -7.019 -2.814 306 HG3 ARG 37 2HG ARG 37 -5.226 -7.044 -3.931 307 HD2 ARG 37 1HD ARG 37 -7.804 -8.584 -4.354 308 HD3 ARG 37 2HD ARG 37 -7.458 -7.005 -5.067 309 HE ARG 37 HE ARG 37 -5.346 -8.857 -5.656 310 HH11 ARG 37 1HH1 ARG 37 -8.762 -8.304 -6.510 311 HH12 ARG 37 2HH1 ARG 37 -8.602 -8.814 -8.138 312 HH21 ARG 37 1HH2 ARG 37 -5.200 -9.842 -7.755 313 HH22 ARG 37 2HH2 ARG 37 -6.634 -9.985 -8.720 314 H SER 38 H SER 38 -7.549 -11.226 -1.943 315 HA SER 38 HA SER 38 -10.078 -9.979 -2.231 316 HB2 SER 38 1HB SER 38 -9.210 -12.800 -1.526 317 HB3 SER 38 2HB SER 38 -10.922 -12.337 -1.567 318 HG SER 38 HG SER 38 -10.238 -13.123 -3.575 319 H GLN 39 H GLN 39 -8.364 -10.976 0.755 320 HA GLN 39 HA GLN 39 -10.684 -11.039 2.437 321 HB2 GLN 39 1HB GLN 39 -7.746 -10.504 3.067 322 HB3 GLN 39 2HB GLN 39 -8.996 -10.760 4.288 323 HG2 GLN 39 1HG GLN 39 -9.375 -12.978 3.656 324 HG3 GLN 39 2HG GLN 39 -8.661 -12.808 2.084 325 HE21 GLN 39 1HE2 GLN 39 -6.383 -11.392 4.181 326 HE22 GLN 39 2HE2 GLN 39 -5.438 -12.799 4.534 327 H ILE 40 H ILE 40 -8.150 -8.564 2.209 328 HA ILE 40 HA ILE 40 -9.451 -6.398 3.357 329 HB ILE 40 HB ILE 40 -7.505 -6.561 1.020 330 HG12 ILE 40 1HG1 ILE 40 -6.136 -5.161 2.848 331 HG13 ILE 40 2HG1 ILE 40 -7.262 -5.895 3.966 332 HG21 ILE 40 1HG2 ILE 40 -8.768 -4.572 0.526 333 HG22 ILE 40 2HG2 ILE 40 -8.571 -3.983 2.196 334 HG23 ILE 40 3HG2 ILE 40 -7.181 -4.151 1.078 335 HD11 ILE 40 3HD1 ILE 40 -5.170 -7.190 3.765 336 HD12 ILE 40 1HD1 ILE 40 -6.513 -8.158 3.136 337 HD13 ILE 40 2HD1 ILE 40 -5.403 -7.346 2.013 338 H ALA 41 H ALA 41 -9.721 -7.347 -0.107 339 HA ALA 41 HA ALA 41 -11.393 -5.173 -0.790 340 HB1 ALA 41 1HB ALA 41 -11.707 -6.297 -2.889 341 HB2 ALA 41 2HB ALA 41 -10.030 -6.518 -2.381 342 HB3 ALA 41 3HB ALA 41 -11.185 -7.851 -2.207 343 H HIS 42 H HIS 42 -12.244 -8.124 0.884 344 HA HIS 42 HA HIS 42 -15.111 -7.695 0.242 345 HB2 HIS 42 1HB HIS 42 -13.728 -9.663 -0.755 346 HB3 HIS 42 2HB HIS 42 -13.800 -10.353 0.863 347 HD1 HIS 42 1HD HIS 42 -15.570 -12.290 0.470 348 HD2 HIS 42 2HD HIS 42 -16.609 -8.537 -1.158 349 HE1 HIS 42 1HE HIS 42 -17.793 -12.604 -0.722 350 H ALA 43 H ALA 43 -12.985 -7.406 2.847 351 HA ALA 43 HA ALA 43 -14.946 -8.494 4.788 352 HB1 ALA 43 1HB ALA 43 -13.069 -8.671 6.293 353 HB2 ALA 43 2HB ALA 43 -12.687 -9.521 4.791 354 HB3 ALA 43 3HB ALA 43 -11.970 -7.921 5.108 355 H LEU 44 H LEU 44 -13.758 -5.504 3.486 356 HA LEU 44 HA LEU 44 -14.728 -4.194 6.012 357 HB2 LEU 44 1HB LEU 44 -12.622 -3.444 4.020 358 HB3 LEU 44 2HB LEU 44 -13.383 -2.187 4.989 359 HG LEU 44 HG LEU 44 -12.062 -4.563 6.327 360 HD11 LEU 44 1HD1 LEU 44 -10.353 -3.721 4.833 361 HD12 LEU 44 2HD1 LEU 44 -10.018 -3.043 6.431 362 HD13 LEU 44 3HD1 LEU 44 -10.771 -2.037 5.201 363 HD21 LEU 44 3HD2 LEU 44 -13.464 -3.026 7.725 364 HD22 LEU 44 1HD2 LEU 44 -12.476 -1.645 7.201 365 HD23 LEU 44 2HD2 LEU 44 -11.754 -2.938 8.163 366 H LYS 45 H LYS 45 -14.239 -2.526 3.038 367 HA LYS 45 HA LYS 45 -16.912 -2.302 2.004 368 HB2 LYS 45 1HB LYS 45 -15.640 0.086 3.423 369 HB3 LYS 45 2HB LYS 45 -17.134 0.077 2.509 370 HG2 LYS 45 1HG LYS 45 -18.096 -0.008 4.502 371 HG3 LYS 45 2HG LYS 45 -17.796 -1.723 4.324 372 HD2 LYS 45 1HD LYS 45 -17.024 -1.312 6.509 373 HD3 LYS 45 2HD LYS 45 -15.531 -1.216 5.583 374 HE2 LYS 45 1HE LYS 45 -15.366 0.688 6.884 375 HE3 LYS 45 2HE LYS 45 -16.060 1.333 5.382 376 HZ1 LYS 45 3HZ LYS 45 -17.283 2.216 7.118 377 HZ2 LYS 45 1HZ LYS 45 -17.403 0.806 7.940 378 HZ3 LYS 45 2HZ LYS 45 -18.271 1.019 6.558 379 H LEU 46 H LEU 46 -14.428 -3.130 0.853 380 HA LEU 46 HA LEU 46 -13.569 -0.709 -0.711 381 HB2 LEU 46 1HB LEU 46 -11.992 -3.238 -0.077 382 HB3 LEU 46 2HB LEU 46 -11.542 -2.038 -1.279 383 HG LEU 46 HG LEU 46 -11.619 -0.297 0.664 384 HD11 LEU 46 1HD1 LEU 46 -10.873 -1.410 2.831 385 HD12 LEU 46 2HD1 LEU 46 -11.351 -2.946 2.148 386 HD13 LEU 46 3HD1 LEU 46 -12.578 -1.696 2.430 387 HD21 LEU 46 3HD2 LEU 46 -9.460 -2.424 0.484 388 HD22 LEU 46 1HD2 LEU 46 -9.267 -0.836 1.245 389 HD23 LEU 46 2HD2 LEU 46 -9.553 -0.956 -0.490 390 H SER 47 H SER 47 -12.959 -1.222 -2.955 391 HA SER 47 HA SER 47 -14.862 -3.154 -4.167 392 HB2 SER 47 1HB SER 47 -14.869 -0.366 -4.225 393 HB3 SER 47 2HB SER 47 -13.983 -0.755 -5.694 394 HG SER 47 HG SER 47 -15.703 -1.940 -6.411 395 H GLU 48 H GLU 48 -13.732 -4.778 -5.071 396 HA GLU 48 HA GLU 48 -11.135 -5.276 -5.283 397 HB2 GLU 48 1HB GLU 48 -13.487 -6.099 -6.950 398 HB3 GLU 48 2HB GLU 48 -11.903 -6.516 -7.563 399 HG2 GLU 48 1HG GLU 48 -12.460 -7.268 -4.720 400 HG3 GLU 48 2HG GLU 48 -13.275 -8.155 -6.002 401 H VAL 49 H VAL 49 -12.832 -3.423 -7.904 402 HA VAL 49 HA VAL 49 -10.494 -3.374 -9.621 403 HB VAL 49 HB VAL 49 -13.054 -1.760 -9.575 404 HG11 VAL 49 1HG1 VAL 49 -11.386 -0.433 -10.748 405 HG12 VAL 49 2HG1 VAL 49 -10.943 -1.873 -11.729 406 HG13 VAL 49 3HG1 VAL 49 -12.524 -1.152 -11.915 407 HG21 VAL 49 3HG2 VAL 49 -13.367 -4.180 -10.035 408 HG22 VAL 49 1HG2 VAL 49 -13.685 -3.210 -11.469 409 HG23 VAL 49 2HG2 VAL 49 -12.148 -4.091 -11.321 410 H GLN 50 H GLN 50 -11.670 -1.211 -7.041 411 HA GLN 50 HA GLN 50 -9.777 0.899 -7.605 412 HB2 GLN 50 1HB GLN 50 -12.119 0.630 -6.132 413 HB3 GLN 50 2HB GLN 50 -10.897 0.652 -4.862 414 HG2 GLN 50 1HG GLN 50 -11.159 2.671 -7.127 415 HG3 GLN 50 2HG GLN 50 -11.836 2.873 -5.477 416 HE21 GLN 50 1HE2 GLN 50 -10.329 2.896 -3.653 417 HE22 GLN 50 2HE2 GLN 50 -8.712 3.489 -3.932 418 H VAL 51 H VAL 51 -9.982 -1.904 -5.472 419 HA VAL 51 HA VAL 51 -7.577 -1.527 -3.991 420 HB VAL 51 HB VAL 51 -9.167 -4.001 -4.798 421 HG11 VAL 51 1HG1 VAL 51 -8.016 -5.284 -3.099 422 HG12 VAL 51 2HG1 VAL 51 -6.802 -4.682 -4.249 423 HG13 VAL 51 3HG1 VAL 51 -7.016 -3.899 -2.667 424 HG21 VAL 51 3HG2 VAL 51 -10.294 -2.355 -3.273 425 HG22 VAL 51 1HG2 VAL 51 -9.996 -3.908 -2.490 426 HG23 VAL 51 2HG2 VAL 51 -8.942 -2.522 -2.145 427 H LYS 52 H LYS 52 -8.226 -3.053 -7.152 428 HA LYS 52 HA LYS 52 -5.686 -3.990 -7.785 429 HB2 LYS 52 1HB LYS 52 -8.159 -3.602 -9.107 430 HB3 LYS 52 2HB LYS 52 -6.992 -2.687 -10.059 431 HG2 LYS 52 1HG LYS 52 -5.561 -4.776 -10.120 432 HG3 LYS 52 2HG LYS 52 -6.871 -5.626 -9.289 433 HD2 LYS 52 1HD LYS 52 -7.179 -6.099 -11.612 434 HD3 LYS 52 2HD LYS 52 -8.420 -4.940 -11.186 435 HE2 LYS 52 1HE LYS 52 -7.422 -4.397 -13.344 436 HE3 LYS 52 2HE LYS 52 -7.121 -3.105 -12.180 437 HZ1 LYS 52 3HZ LYS 52 -5.143 -3.590 -13.432 438 HZ2 LYS 52 1HZ LYS 52 -5.168 -5.182 -13.003 439 HZ3 LYS 52 2HZ LYS 52 -4.868 -4.034 -11.890 440 H ILE 53 H ILE 53 -6.666 -0.588 -7.587 441 HA ILE 53 HA ILE 53 -4.350 0.244 -9.246 442 HB ILE 53 HB ILE 53 -6.731 1.793 -8.227 443 HG12 ILE 53 1HG1 ILE 53 -6.336 1.149 -11.168 444 HG13 ILE 53 2HG1 ILE 53 -6.945 -0.132 -10.139 445 HG21 ILE 53 1HG2 ILE 53 -4.870 3.323 -8.718 446 HG22 ILE 53 2HG2 ILE 53 -4.582 2.539 -10.277 447 HG23 ILE 53 3HG2 ILE 53 -6.067 3.467 -9.997 448 HD11 ILE 53 3HD1 ILE 53 -8.241 2.607 -10.351 449 HD12 ILE 53 1HD1 ILE 53 -8.793 1.119 -11.152 450 HD13 ILE 53 2HD1 ILE 53 -8.806 1.216 -9.391 451 H TRP 54 H TRP 54 -5.408 0.147 -5.867 452 HA TRP 54 HA TRP 54 -3.724 2.204 -4.836 453 HB2 TRP 54 1HB TRP 54 -5.509 1.012 -3.646 454 HB3 TRP 54 2HB TRP 54 -4.556 -0.431 -3.662 455 HD1 TRP 54 HD TRP 54 -5.213 2.673 -1.748 456 HE1 TRP 54 1HE TRP 54 -4.102 2.513 0.559 457 HE3 TRP 54 3HE TRP 54 -2.003 -1.284 -2.593 458 HZ2 TRP 54 2HZ TRP 54 -2.281 0.805 1.917 459 HZ3 TRP 54 3HZ TRP 54 -0.694 -2.200 -0.709 460 HH2 TRP 54 HH TRP 54 -0.861 -1.208 1.559 461 H PHE 55 H PHE 55 -3.042 -1.103 -5.901 462 HA PHE 55 HA PHE 55 -0.365 -1.392 -5.093 463 HB2 PHE 55 1HB PHE 55 -1.768 -2.330 -7.623 464 HB3 PHE 55 2HB PHE 55 -0.147 -2.818 -7.171 465 HD1 PHE 55 2HD PHE 55 0.130 -3.783 -4.690 466 HD2 PHE 55 1HD PHE 55 -3.592 -3.753 -6.904 467 HE1 PHE 55 2HE PHE 55 -0.708 -5.693 -3.354 468 HE2 PHE 55 1HE PHE 55 -4.380 -5.674 -5.597 469 HZ PHE 55 HZ PHE 55 -2.946 -6.661 -3.815 470 H GLN 56 H GLN 56 -1.656 0.650 -7.709 471 HA GLN 56 HA GLN 56 0.788 1.211 -9.044 472 HB2 GLN 56 1HB GLN 56 -1.834 1.557 -9.568 473 HB3 GLN 56 2HB GLN 56 -1.459 3.188 -9.050 474 HG2 GLN 56 1HG GLN 56 -0.572 3.605 -11.089 475 HG3 GLN 56 2HG GLN 56 0.644 2.362 -10.859 476 HE21 GLN 56 1HE2 GLN 56 -2.800 2.738 -11.695 477 HE22 GLN 56 2HE2 GLN 56 -2.922 1.412 -12.823 478 H ASN 57 H ASN 57 0.410 1.728 -5.958 479 HA ASN 57 HA ASN 57 1.813 4.354 -5.832 480 HB2 ASN 57 1HB ASN 57 -0.240 3.310 -3.809 481 HB3 ASN 57 2HB ASN 57 0.713 4.773 -3.677 482 HD21 ASN 57 1HD2 ASN 57 -1.824 3.213 -5.727 483 HD22 ASN 57 2HD2 ASN 57 -2.470 4.716 -6.347 484 H ARG 58 H ARG 58 0.999 1.381 -4.014 485 HA ARG 58 HA ARG 58 3.287 1.477 -2.386 486 HB2 ARG 58 1HB ARG 58 0.956 0.093 -2.342 487 HB3 ARG 58 2HB ARG 58 1.992 -1.171 -2.997 488 HG2 ARG 58 1HG ARG 58 1.841 -1.379 -0.605 489 HG3 ARG 58 2HG ARG 58 3.500 -0.892 -1.001 490 HD2 ARG 58 1HD ARG 58 3.063 1.389 -0.258 491 HD3 ARG 58 2HD ARG 58 1.328 1.067 -0.158 492 HE ARG 58 HE ARG 58 1.564 0.041 1.853 493 HH11 ARG 58 1HH1 ARG 58 4.907 0.659 0.675 494 HH12 ARG 58 2HH1 ARG 58 5.567 0.205 2.229 495 HH21 ARG 58 1HH2 ARG 58 2.538 -0.434 3.831 496 HH22 ARG 58 2HH2 ARG 58 4.260 -0.343 3.992 497 H ARG 59 H ARG 59 3.433 0.958 -5.655 498 HA ARG 59 HA ARG 59 5.799 -0.848 -5.491 499 HB2 ARG 59 1HB ARG 59 4.131 0.070 -7.851 500 HB3 ARG 59 2HB ARG 59 5.605 -0.890 -7.988 501 HG2 ARG 59 1HG ARG 59 4.597 -2.700 -6.625 502 HG3 ARG 59 2HG ARG 59 3.132 -1.755 -6.437 503 HD2 ARG 59 1HD ARG 59 2.462 -3.065 -8.181 504 HD3 ARG 59 2HD ARG 59 3.133 -1.722 -9.093 505 HE ARG 59 HE ARG 59 4.994 -3.030 -9.711 506 HH11 ARG 59 1HH1 ARG 59 2.807 -4.903 -7.587 507 HH12 ARG 59 2HH1 ARG 59 3.408 -6.428 -8.113 508 HH21 ARG 59 1HH2 ARG 59 5.964 -5.138 -10.185 509 HH22 ARG 59 2HH2 ARG 59 5.294 -6.535 -9.394 510 H ALA 60 H ALA 60 5.346 2.476 -5.210 511 HA ALA 60 HA ALA 60 7.137 3.330 -7.393 512 HB1 ALA 60 1HB ALA 60 5.671 4.897 -5.223 513 HB2 ALA 60 2HB ALA 60 6.565 5.591 -6.599 514 HB3 ALA 60 3HB ALA 60 5.115 4.612 -6.885 515 H LYS 61 H LYS 61 7.524 2.398 -4.105 516 HA LYS 61 HA LYS 61 9.420 3.980 -3.001 517 HB2 LYS 61 1HB LYS 61 8.474 1.962 -1.941 518 HB3 LYS 61 2HB LYS 61 9.345 0.965 -3.096 519 HG2 LYS 61 1HG LYS 61 11.500 2.212 -2.000 520 HG3 LYS 61 2HG LYS 61 10.369 2.558 -0.691 521 HD2 LYS 61 1HD LYS 61 10.044 0.111 -0.359 522 HD3 LYS 61 2HD LYS 61 11.011 -0.211 -1.806 523 HE2 LYS 61 1HE LYS 61 12.491 -0.601 -0.034 524 HE3 LYS 61 2HE LYS 61 12.972 0.970 -0.661 525 HZ1 LYS 61 3HZ LYS 61 11.310 0.501 1.753 526 HZ2 LYS 61 1HZ LYS 61 11.935 1.992 1.283 527 HZ3 LYS 61 2HZ LYS 61 12.899 0.760 1.749 528 H TRP 62 H TRP 62 10.404 1.224 -5.196 529 HA TRP 62 HA TRP 62 13.139 1.973 -5.076 530 HB2 TRP 62 1HB TRP 62 11.861 0.617 -7.466 531 HB3 TRP 62 2HB TRP 62 13.490 0.419 -6.849 532 HD1 TRP 62 HD TRP 62 13.541 -0.801 -4.266 533 HE1 TRP 62 1HE TRP 62 12.243 -2.883 -3.537 534 HE3 TRP 62 3HE TRP 62 9.752 -0.611 -7.675 535 HZ2 TRP 62 2HZ TRP 62 9.707 -4.150 -4.189 536 HZ3 TRP 62 3HZ TRP 62 7.956 -2.326 -7.682 537 HH2 TRP 62 HH TRP 62 7.929 -4.104 -5.932 538 H LYS 63 H LYS 63 10.561 2.830 -7.380 539 HA LYS 63 HA LYS 63 12.232 4.187 -9.224 540 HB2 LYS 63 1HB LYS 63 9.308 3.775 -8.791 541 HB3 LYS 63 2HB LYS 63 9.741 5.262 -9.612 542 HG2 LYS 63 1HG LYS 63 9.359 3.515 -11.243 543 HG3 LYS 63 2HG LYS 63 11.032 4.072 -11.280 544 HD2 LYS 63 1HD LYS 63 11.660 2.020 -9.924 545 HD3 LYS 63 2HD LYS 63 9.994 1.444 -10.148 546 HE2 LYS 63 1HE LYS 63 10.308 1.507 -12.612 547 HE3 LYS 63 2HE LYS 63 11.901 2.244 -12.391 548 HZ1 LYS 63 3HZ LYS 63 12.383 0.046 -12.713 549 HZ2 LYS 63 1HZ LYS 63 11.123 -0.528 -11.836 550 HZ3 LYS 63 2HZ LYS 63 12.468 0.151 -11.105 551 H ARG 64 H ARG 64 10.452 5.565 -6.336 552 HA ARG 64 HA ARG 64 11.240 8.192 -6.954 553 HB2 ARG 64 1HB ARG 64 10.525 8.860 -4.889 554 HB3 ARG 64 2HB ARG 64 9.487 7.504 -5.324 555 HG2 ARG 64 1HG ARG 64 9.995 6.671 -3.297 556 HG3 ARG 64 2HG ARG 64 11.485 6.239 -4.128 557 HD2 ARG 64 1HD ARG 64 12.161 7.118 -2.050 558 HD3 ARG 64 2HD ARG 64 12.549 8.359 -3.235 559 HE ARG 64 HE ARG 64 10.385 9.466 -2.555 560 HH11 ARG 64 1HH1 ARG 64 12.346 7.598 -0.095 561 HH12 ARG 64 2HH1 ARG 64 11.673 8.544 1.168 562 HH21 ARG 64 1HH2 ARG 64 9.517 10.479 -0.780 563 HH22 ARG 64 2HH2 ARG 64 10.024 10.067 0.833 564 H ILE 65 H ILE 65 13.323 5.642 -6.092 565 HA ILE 65 HA ILE 65 15.453 7.522 -5.208 566 HB ILE 65 HB ILE 65 15.185 4.512 -4.845 567 HG12 ILE 65 1HG1 ILE 65 14.770 6.834 -2.899 568 HG13 ILE 65 2HG1 ILE 65 13.537 5.723 -3.496 569 HG21 ILE 65 1HG2 ILE 65 17.542 5.254 -4.939 570 HG22 ILE 65 2HG2 ILE 65 17.201 6.487 -3.715 571 HG23 ILE 65 3HG2 ILE 65 17.131 4.751 -3.321 572 HD11 ILE 65 3HD1 ILE 65 14.710 3.834 -2.378 573 HD12 ILE 65 1HD1 ILE 65 15.760 5.043 -1.586 574 HD13 ILE 65 2HD1 ILE 65 14.018 5.061 -1.296 575 H LYS 66 H LYS 66 14.321 5.681 -7.845 576 HA LYS 66 HA LYS 66 16.999 5.647 -9.170 577 HB2 LYS 66 1HB LYS 66 15.581 3.477 -8.634 578 HB3 LYS 66 2HB LYS 66 14.679 3.943 -10.063 579 HG2 LYS 66 1HG LYS 66 17.531 4.113 -10.672 580 HG3 LYS 66 2HG LYS 66 17.230 2.584 -9.849 581 HD2 LYS 66 1HD LYS 66 15.377 2.128 -11.482 582 HD3 LYS 66 2HD LYS 66 15.825 3.622 -12.333 583 HE2 LYS 66 1HE LYS 66 18.116 2.687 -12.724 584 HE3 LYS 66 2HE LYS 66 17.629 1.204 -11.880 585 HZ1 LYS 66 3HZ LYS 66 17.342 0.776 -14.160 586 HZ2 LYS 66 1HZ LYS 66 16.627 2.198 -14.477 587 HZ3 LYS 66 2HZ LYS 66 15.803 1.081 -13.632 588 H ALA 67 H ALA 67 14.258 7.517 -9.215 589 HA ALA 67 HA ALA 67 14.082 8.139 -12.027 590 HB1 ALA 67 1HB ALA 67 13.500 9.719 -9.471 591 HB2 ALA 67 2HB ALA 67 13.174 10.306 -11.111 592 HB3 ALA 67 3HB ALA 67 12.320 8.872 -10.493 593 H GLY 68 H GLY 68 15.887 8.699 -13.108 594 HA2 GLY 68 1HA GLY 68 18.075 10.219 -11.772 595 HA3 GLY 68 2HA GLY 68 18.147 9.414 -13.358 596 H ASN 69 H ASN 69 17.696 12.376 -11.800 597 HA ASN 69 HA ASN 69 16.567 13.705 -14.156 598 HB2 ASN 69 1HB ASN 69 14.891 14.863 -12.849 599 HB3 ASN 69 2HB ASN 69 14.615 13.138 -12.670 600 HD21 ASN 69 1HD2 ASN 69 15.533 16.178 -10.947 601 HD22 ASN 69 2HD2 ASN 69 15.777 15.346 -9.407 602 H VAL 70 H VAL 70 16.712 16.180 -13.759 603 HA VAL 70 HA VAL 70 19.063 16.850 -12.086 604 HB VAL 70 HB VAL 70 18.702 17.709 -14.992 605 HG11 VAL 70 1HG1 VAL 70 19.982 19.283 -13.555 606 HG12 VAL 70 2HG1 VAL 70 21.063 17.956 -13.068 607 HG13 VAL 70 3HG1 VAL 70 21.021 18.509 -14.758 608 HG21 VAL 70 3HG2 VAL 70 19.208 15.331 -15.048 609 HG22 VAL 70 1HG2 VAL 70 20.656 16.236 -15.487 610 HG23 VAL 70 2HG2 VAL 70 20.512 15.545 -13.853 611 H SER 71 H SER 71 18.083 18.122 -10.640 612 HA SER 71 HA SER 71 16.776 19.613 -9.628 613 HB2 SER 71 1HB SER 71 16.138 20.889 -12.288 614 HB3 SER 71 2HB SER 71 15.826 21.538 -10.676 615 HG SER 71 HG SER 71 17.822 22.284 -11.682 Start of MODEL 15 1 H1 SER 1 H SER 1 -3.274 18.135 -32.635 2 HA SER 1 HA SER 1 -3.921 15.446 -31.625 3 HB2 SER 1 1HB SER 1 -1.412 16.257 -33.141 4 HB3 SER 1 2HB SER 1 -1.623 14.724 -32.258 5 HG SER 1 HG SER 1 -2.087 14.542 -34.462 6 H ALA 2 H ALA 2 -2.903 14.934 -29.657 7 HA ALA 2 HA ALA 2 -1.184 16.947 -28.315 8 HB1 ALA 2 1HB ALA 2 -3.880 15.969 -27.275 9 HB2 ALA 2 2HB ALA 2 -2.737 16.995 -26.389 10 HB3 ALA 2 3HB ALA 2 -3.524 17.614 -27.839 11 HA PRO 3 HA PRO 3 -0.503 12.338 -27.422 12 HB2 PRO 3 1HB PRO 3 1.978 11.911 -28.496 13 HB3 PRO 3 2HB PRO 3 0.477 11.817 -29.461 14 HG2 PRO 3 1HG PRO 3 2.396 14.140 -29.224 15 HG3 PRO 3 2HG PRO 3 1.686 13.443 -30.708 16 HD2 PRO 3 1HD PRO 3 0.639 15.663 -29.483 17 HD3 PRO 3 2HD PRO 3 -0.382 14.459 -30.323 18 H GLY 4 H GLY 4 0.391 11.892 -25.332 19 HA2 GLY 4 1HA GLY 4 2.686 13.404 -24.351 20 HA3 GLY 4 2HA GLY 4 1.131 14.005 -23.778 21 H GLY 5 H GLY 5 2.469 13.367 -21.786 22 HA2 GLY 5 1HA GLY 5 2.366 10.501 -21.079 23 HA3 GLY 5 2HA GLY 5 3.186 11.797 -20.204 24 H LYS 6 H LYS 6 0.021 10.317 -20.876 25 HA LYS 6 HA LYS 6 -1.215 11.506 -18.450 26 HB2 LYS 6 1HB LYS 6 -2.027 9.126 -20.174 27 HB3 LYS 6 2HB LYS 6 -2.945 9.729 -18.809 28 HG2 LYS 6 1HG LYS 6 -2.543 11.961 -20.570 29 HG3 LYS 6 2HG LYS 6 -3.009 10.582 -21.571 30 HD2 LYS 6 1HD LYS 6 -5.017 10.231 -20.122 31 HD3 LYS 6 2HD LYS 6 -4.533 11.630 -19.152 32 HE2 LYS 6 1HE LYS 6 -4.546 12.970 -21.324 33 HE3 LYS 6 2HE LYS 6 -5.322 11.596 -22.092 34 HZ1 LYS 6 3HZ LYS 6 -6.842 13.342 -21.289 35 HZ2 LYS 6 1HZ LYS 6 -6.410 13.054 -19.750 36 HZ3 LYS 6 2HZ LYS 6 -7.207 11.892 -20.601 37 H SER 7 H SER 7 -1.716 10.073 -16.583 38 HA SER 7 HA SER 7 -1.020 7.384 -16.583 39 HB2 SER 7 1HB SER 7 1.289 8.754 -15.991 40 HB3 SER 7 2HB SER 7 0.590 8.623 -14.366 41 HG SER 7 HG SER 7 0.513 6.328 -14.676 42 H ARG 8 H ARG 8 -1.724 6.385 -14.498 43 HA ARG 8 HA ARG 8 -4.022 7.843 -13.414 44 HB2 ARG 8 1HB ARG 8 -4.150 5.553 -14.339 45 HB3 ARG 8 2HB ARG 8 -3.165 4.957 -13.016 46 HG2 ARG 8 1HG ARG 8 -5.560 6.563 -12.199 47 HG3 ARG 8 2HG ARG 8 -5.919 5.146 -13.163 48 HD2 ARG 8 1HD ARG 8 -4.400 3.851 -11.451 49 HD3 ARG 8 2HD ARG 8 -4.613 5.270 -10.431 50 HE ARG 8 HE ARG 8 -6.812 4.629 -10.050 51 HH11 ARG 8 1HH1 ARG 8 -5.611 2.713 -12.805 52 HH12 ARG 8 2HH1 ARG 8 -7.129 1.954 -13.130 53 HH21 ARG 8 1HH2 ARG 8 -8.736 3.590 -10.354 54 HH22 ARG 8 2HH2 ARG 8 -8.942 2.326 -11.543 55 H ARG 9 H ARG 9 -3.297 9.295 -11.912 56 HA ARG 9 HA ARG 9 -1.311 8.631 -9.888 57 HB2 ARG 9 1HB ARG 9 -3.315 10.886 -10.235 58 HB3 ARG 9 2HB ARG 9 -2.422 10.687 -8.731 59 HG2 ARG 9 1HG ARG 9 -0.288 10.841 -9.880 60 HG3 ARG 9 2HG ARG 9 -1.080 10.957 -11.453 61 HD2 ARG 9 1HD ARG 9 -2.032 13.074 -10.957 62 HD3 ARG 9 2HD ARG 9 -1.713 12.911 -9.233 63 HE ARG 9 HE ARG 9 0.767 12.949 -9.885 64 HH11 ARG 9 1HH1 ARG 9 -1.644 14.803 -11.825 65 HH12 ARG 9 2HH1 ARG 9 -0.601 16.180 -11.904 66 HH21 ARG 9 1HH2 ARG 9 2.111 14.843 -10.170 67 HH22 ARG 9 2HH2 ARG 9 1.620 15.958 -11.414 68 H ARG 10 H ARG 10 -1.830 8.404 -7.634 69 HA ARG 10 HA ARG 10 -3.773 6.381 -7.018 70 HB2 ARG 10 1HB ARG 10 -1.399 6.850 -6.054 71 HB3 ARG 10 2HB ARG 10 -2.168 8.103 -5.093 72 HG2 ARG 10 1HG ARG 10 -3.763 5.887 -4.497 73 HG3 ARG 10 2HG ARG 10 -2.203 5.138 -4.850 74 HD2 ARG 10 1HD ARG 10 -1.367 7.183 -3.273 75 HD3 ARG 10 2HD ARG 10 -2.996 7.014 -2.644 76 HE ARG 10 HE ARG 10 -2.165 5.343 -1.371 77 HH11 ARG 10 1HH1 ARG 10 0.079 5.664 -4.080 78 HH12 ARG 10 2HH1 ARG 10 1.045 4.311 -3.600 79 HH21 ARG 10 1HH2 ARG 10 -0.763 3.631 -0.686 80 HH22 ARG 10 2HH2 ARG 10 0.435 3.024 -1.759 81 H ARG 11 H ARG 11 -5.373 8.413 -7.986 82 HA ARG 11 HA ARG 11 -6.486 9.939 -5.731 83 HB2 ARG 11 1HB ARG 11 -7.677 9.644 -8.516 84 HB3 ARG 11 2HB ARG 11 -8.020 10.858 -7.279 85 HG2 ARG 11 1HG ARG 11 -5.486 11.538 -7.621 86 HG3 ARG 11 2HG ARG 11 -5.643 10.608 -9.134 87 HD2 ARG 11 1HD ARG 11 -7.936 12.053 -9.278 88 HD3 ARG 11 2HD ARG 11 -7.006 13.130 -8.242 89 HE ARG 11 HE ARG 11 -6.277 12.235 -10.996 90 HH11 ARG 11 1HH1 ARG 11 -6.358 14.879 -8.581 91 HH12 ARG 11 2HH1 ARG 11 -6.016 16.095 -9.771 92 HH21 ARG 11 1HH2 ARG 11 -5.946 13.875 -12.503 93 HH22 ARG 11 2HH2 ARG 11 -5.965 15.533 -11.973 94 H THR 12 H THR 12 -6.547 7.492 -4.777 95 HA THR 12 HA THR 12 -9.001 6.097 -5.398 96 HB THR 12 HB THR 12 -7.036 5.023 -4.333 97 HG1 THR 12 1HG THR 12 -8.562 3.963 -2.735 98 HG21 THR 12 3HG2 THR 12 -6.552 6.762 -2.564 99 HG22 THR 12 1HG2 THR 12 -6.666 5.092 -1.982 100 HG23 THR 12 2HG2 THR 12 -8.009 6.222 -1.702 101 H ALA 13 H ALA 13 -10.498 5.769 -3.259 102 HA ALA 13 HA ALA 13 -10.973 8.187 -1.745 103 HB1 ALA 13 1HB ALA 13 -12.459 8.674 -3.582 104 HB2 ALA 13 2HB ALA 13 -13.089 7.011 -3.586 105 HB3 ALA 13 3HB ALA 13 -13.445 8.094 -2.219 106 H PHE 14 H PHE 14 -10.181 6.939 -0.130 107 HA PHE 14 HA PHE 14 -12.018 4.962 1.046 108 HB2 PHE 14 1HB PHE 14 -9.019 4.731 1.392 109 HB3 PHE 14 2HB PHE 14 -10.266 3.566 1.833 110 HD1 PHE 14 2HD PHE 14 -11.722 2.920 -0.547 111 HD2 PHE 14 1HD PHE 14 -7.554 3.751 -0.040 112 HE1 PHE 14 2HE PHE 14 -11.199 1.266 -2.300 113 HE2 PHE 14 1HE PHE 14 -6.996 1.982 -1.658 114 HZ PHE 14 HZ PHE 14 -8.814 0.691 -2.752 115 H THR 15 H THR 15 -11.058 4.739 3.392 116 HA THR 15 HA THR 15 -10.729 7.433 4.562 117 HB THR 15 HB THR 15 -12.904 7.158 5.073 118 HG1 THR 15 1HG THR 15 -13.036 6.823 7.134 119 HG21 THR 15 3HG2 THR 15 -14.017 5.004 5.617 120 HG22 THR 15 1HG2 THR 15 -12.456 4.189 5.304 121 HG23 THR 15 2HG2 THR 15 -13.308 5.029 3.987 122 H SER 16 H SER 16 -9.637 7.367 6.598 123 HA SER 16 HA SER 16 -7.539 5.484 6.981 124 HB2 SER 16 1HB SER 16 -8.062 7.972 7.864 125 HB3 SER 16 2HB SER 16 -8.630 7.056 9.279 126 HG SER 16 HG SER 16 -6.080 6.885 7.985 127 H GLU 17 H GLU 17 -10.976 5.204 7.699 128 HA GLU 17 HA GLU 17 -10.652 3.254 9.864 129 HB2 GLU 17 1HB GLU 17 -12.833 4.281 8.062 130 HB3 GLU 17 2HB GLU 17 -13.083 2.720 8.826 131 HG2 GLU 17 1HG GLU 17 -12.915 3.540 10.988 132 HG3 GLU 17 2HG GLU 17 -12.091 5.033 10.497 133 H GLN 18 H GLN 18 -11.132 3.147 6.323 134 HA GLN 18 HA GLN 18 -11.111 0.207 6.421 135 HB2 GLN 18 1HB GLN 18 -11.631 2.031 4.070 136 HB3 GLN 18 2HB GLN 18 -11.751 0.267 4.169 137 HG2 GLN 18 1HG GLN 18 -13.349 0.756 6.230 138 HG3 GLN 18 2HG GLN 18 -13.616 2.273 5.384 139 HE21 GLN 18 1HE2 GLN 18 -13.871 1.689 2.653 140 HE22 GLN 18 2HE2 GLN 18 -14.977 0.352 2.493 141 H LEU 19 H LEU 19 -8.913 2.809 5.634 142 HA LEU 19 HA LEU 19 -6.997 1.259 4.121 143 HB2 LEU 19 1HB LEU 19 -6.830 3.764 5.833 144 HB3 LEU 19 2HB LEU 19 -5.432 3.129 4.994 145 HG LEU 19 HG LEU 19 -7.994 3.956 3.553 146 HD11 LEU 19 1HD1 LEU 19 -5.389 5.483 3.889 147 HD12 LEU 19 2HD1 LEU 19 -6.918 5.853 4.708 148 HD13 LEU 19 3HD1 LEU 19 -6.805 6.003 2.947 149 HD21 LEU 19 3HD2 LEU 19 -6.365 4.103 1.608 150 HD22 LEU 19 1HD2 LEU 19 -6.808 2.457 2.144 151 HD23 LEU 19 2HD2 LEU 19 -5.242 3.184 2.577 152 H LEU 20 H LEU 20 -7.693 1.616 7.565 153 HA LEU 20 HA LEU 20 -5.186 1.328 8.598 154 HB2 LEU 20 1HB LEU 20 -7.817 1.485 9.595 155 HB3 LEU 20 2HB LEU 20 -7.227 -0.015 10.277 156 HG LEU 20 HG LEU 20 -5.910 2.727 10.513 157 HD11 LEU 20 1HD1 LEU 20 -6.622 2.592 12.863 158 HD12 LEU 20 2HD1 LEU 20 -7.347 0.993 12.578 159 HD13 LEU 20 3HD1 LEU 20 -8.019 2.430 11.785 160 HD21 LEU 20 3HD2 LEU 20 -5.100 0.097 11.845 161 HD22 LEU 20 1HD2 LEU 20 -4.422 1.692 12.194 162 HD23 LEU 20 2HD2 LEU 20 -4.168 0.981 10.607 163 H GLU 21 H GLU 21 -7.363 -1.286 7.684 164 HA GLU 21 HA GLU 21 -5.695 -3.366 8.901 165 HB2 GLU 21 1HB GLU 21 -7.964 -4.118 7.136 166 HB3 GLU 21 2HB GLU 21 -7.474 -4.746 8.676 167 HG2 GLU 21 1HG GLU 21 -8.385 -2.585 9.741 168 HG3 GLU 21 2HG GLU 21 -9.095 -2.226 8.209 169 H LEU 22 H LEU 22 -6.433 -2.127 5.710 170 HA LEU 22 HA LEU 22 -5.109 -3.903 4.010 171 HB2 LEU 22 1HB LEU 22 -6.253 -1.264 3.897 172 HB3 LEU 22 2HB LEU 22 -4.627 -1.110 3.246 173 HG LEU 22 HG LEU 22 -6.686 -3.108 2.321 174 HD11 LEU 22 1HD1 LEU 22 -6.974 -1.704 0.386 175 HD12 LEU 22 2HD1 LEU 22 -5.799 -0.512 1.018 176 HD13 LEU 22 3HD1 LEU 22 -7.348 -0.790 1.851 177 HD21 LEU 22 3HD2 LEU 22 -4.367 -3.865 1.837 178 HD22 LEU 22 1HD2 LEU 22 -4.031 -2.311 1.056 179 HD23 LEU 22 2HD2 LEU 22 -5.217 -3.435 0.354 180 H GLU 23 H GLU 23 -3.836 -1.125 5.769 181 HA GLU 23 HA GLU 23 -1.103 -1.463 4.824 182 HB2 GLU 23 1HB GLU 23 -2.585 0.364 6.635 183 HB3 GLU 23 2HB GLU 23 -0.897 0.131 7.084 184 HG2 GLU 23 1HG GLU 23 -0.041 0.771 4.971 185 HG3 GLU 23 2HG GLU 23 -1.611 0.732 4.220 186 H LYS 24 H LYS 24 -2.866 -2.519 7.656 187 HA LYS 24 HA LYS 24 -0.618 -3.465 9.166 188 HB2 LYS 24 1HB LYS 24 -3.415 -3.586 9.518 189 HB3 LYS 24 2HB LYS 24 -2.972 -5.273 9.286 190 HG2 LYS 24 1HG LYS 24 -2.836 -4.860 11.632 191 HG3 LYS 24 2HG LYS 24 -1.167 -4.945 11.046 192 HD2 LYS 24 1HD LYS 24 -1.345 -2.329 10.852 193 HD3 LYS 24 2HD LYS 24 -2.789 -2.486 11.834 194 HE2 LYS 24 1HE LYS 24 -0.558 -4.045 12.947 195 HE3 LYS 24 2HE LYS 24 -0.056 -2.388 12.634 196 HZ1 LYS 24 3HZ LYS 24 -2.407 -3.131 14.262 197 HZ2 LYS 24 1HZ LYS 24 -1.849 -1.589 13.970 198 HZ3 LYS 24 2HZ LYS 24 -0.952 -2.642 14.832 199 H GLU 25 H GLU 25 -2.674 -5.310 6.887 200 HA GLU 25 HA GLU 25 -0.650 -7.412 6.521 201 HB2 GLU 25 1HB GLU 25 -3.332 -6.749 5.181 202 HB3 GLU 25 2HB GLU 25 -2.344 -8.189 4.817 203 HG2 GLU 25 1HG GLU 25 -2.389 -8.754 7.272 204 HG3 GLU 25 2HG GLU 25 -3.653 -7.524 7.471 205 H PHE 26 H PHE 26 0.145 -4.648 5.842 206 HA PHE 26 HA PHE 26 1.415 -5.493 3.310 207 HB2 PHE 26 1HB PHE 26 -0.336 -3.592 3.006 208 HB3 PHE 26 2HB PHE 26 0.859 -2.562 3.784 209 HD1 PHE 26 2HD PHE 26 0.551 -5.142 1.045 210 HD2 PHE 26 1HD PHE 26 2.422 -1.491 2.360 211 HE1 PHE 26 2HE PHE 26 1.485 -4.821 -1.209 212 HE2 PHE 26 1HE PHE 26 3.398 -1.180 0.109 213 HZ PHE 26 HZ PHE 26 2.922 -2.851 -1.709 214 H HIS 27 H HIS 27 1.811 -4.889 6.535 215 HA HIS 27 HA HIS 27 4.439 -3.658 6.427 216 HB2 HIS 27 1HB HIS 27 2.868 -3.596 8.432 217 HB3 HIS 27 2HB HIS 27 3.172 -5.295 8.655 218 HD1 HIS 27 1HD HIS 27 4.940 -1.884 8.865 219 HD2 HIS 27 2HD HIS 27 5.434 -5.956 9.690 220 HE1 HIS 27 1HE HIS 27 7.043 -2.072 10.345 221 H CYS 28 H CYS 28 3.233 -6.954 7.258 222 HA CYS 28 HA CYS 28 5.859 -8.075 7.198 223 HB2 CYS 28 1HB CYS 28 3.026 -9.203 7.391 224 HB3 CYS 28 2HB CYS 28 4.458 -10.199 7.569 225 HG CYS 28 HG CYS 28 3.202 -9.374 9.869 226 H LYS 29 H LYS 29 3.485 -7.701 4.683 227 HA LYS 29 HA LYS 29 4.936 -9.578 2.940 228 HB2 LYS 29 1HB LYS 29 2.958 -10.637 2.155 229 HB3 LYS 29 2HB LYS 29 3.038 -10.795 3.888 230 HG2 LYS 29 1HG LYS 29 0.810 -10.334 3.573 231 HG3 LYS 29 2HG LYS 29 1.427 -8.735 3.976 232 HD2 LYS 29 1HD LYS 29 0.858 -7.890 1.918 233 HD3 LYS 29 2HD LYS 29 1.576 -9.258 1.080 234 HE2 LYS 29 1HE LYS 29 -0.703 -9.142 0.534 235 HE3 LYS 29 2HE LYS 29 -0.405 -10.612 1.459 236 HZ1 LYS 29 3HZ LYS 29 -2.435 -9.264 2.086 237 HZ2 LYS 29 1HZ LYS 29 -1.386 -8.189 2.792 238 HZ3 LYS 29 2HZ LYS 29 -1.467 -9.743 3.313 239 H LYS 30 H LYS 30 5.449 -8.607 1.099 240 HA LYS 30 HA LYS 30 4.703 -5.749 1.070 241 HB2 LYS 30 1HB LYS 30 7.064 -6.857 1.500 242 HB3 LYS 30 2HB LYS 30 7.171 -6.926 -0.241 243 HG2 LYS 30 1HG LYS 30 6.676 -4.493 1.541 244 HG3 LYS 30 2HG LYS 30 8.207 -4.890 0.788 245 HD2 LYS 30 1HD LYS 30 5.722 -4.132 -0.822 246 HD3 LYS 30 2HD LYS 30 6.853 -2.976 -0.190 247 HE2 LYS 30 1HE LYS 30 7.215 -3.545 -2.591 248 HE3 LYS 30 2HE LYS 30 8.630 -3.688 -1.541 249 HZ1 LYS 30 3HZ LYS 30 8.508 -6.002 -1.629 250 HZ2 LYS 30 1HZ LYS 30 8.283 -5.540 -3.177 251 HZ3 LYS 30 2HZ LYS 30 6.985 -6.002 -2.299 252 H TYR 31 H TYR 31 2.765 -7.280 -0.223 253 HA TYR 31 HA TYR 31 2.567 -6.190 -2.792 254 HB2 TYR 31 1HB TYR 31 2.763 -8.438 -4.059 255 HB3 TYR 31 2HB TYR 31 4.219 -7.559 -3.664 256 HD1 TYR 31 2HD TYR 31 2.036 -10.307 -2.200 257 HD2 TYR 31 1HD TYR 31 6.029 -8.659 -2.604 258 HE1 TYR 31 2HE TYR 31 2.965 -12.248 -1.030 259 HE2 TYR 31 1HE TYR 31 6.952 -10.666 -1.505 260 HH TYR 31 HH TYR 31 6.280 -13.090 -1.070 261 H LEU 32 H LEU 32 0.732 -7.924 -3.950 262 HA LEU 32 HA LEU 32 -0.910 -9.125 -1.868 263 HB2 LEU 32 1HB LEU 32 -1.900 -6.909 -3.681 264 HB3 LEU 32 2HB LEU 32 -2.991 -8.157 -3.107 265 HG LEU 32 HG LEU 32 -1.373 -6.433 -1.198 266 HD11 LEU 32 1HD1 LEU 32 -2.797 -4.916 -2.420 267 HD12 LEU 32 2HD1 LEU 32 -3.466 -5.168 -0.814 268 HD13 LEU 32 3HD1 LEU 32 -4.199 -5.991 -2.206 269 HD21 LEU 32 3HD2 LEU 32 -2.354 -8.639 -0.370 270 HD22 LEU 32 1HD2 LEU 32 -3.956 -7.993 -0.726 271 HD23 LEU 32 2HD2 LEU 32 -2.930 -7.196 0.479 272 H SER 33 H SER 33 -0.365 -11.070 -2.641 273 HA SER 33 HA SER 33 -0.519 -11.898 -5.456 274 HB2 SER 33 1HB SER 33 -0.541 -13.482 -2.863 275 HB3 SER 33 2HB SER 33 -0.188 -14.119 -4.455 276 HG SER 33 HG SER 33 1.526 -13.280 -2.804 277 H LEU 34 H LEU 34 -2.175 -13.746 -5.980 278 HA LEU 34 HA LEU 34 -4.585 -12.472 -6.129 279 HB2 LEU 34 1HB LEU 34 -3.600 -14.567 -7.408 280 HB3 LEU 34 2HB LEU 34 -4.499 -15.479 -6.218 281 HG LEU 34 HG LEU 34 -5.819 -15.401 -8.153 282 HD11 LEU 34 1HD1 LEU 34 -7.163 -14.989 -6.115 283 HD12 LEU 34 2HD1 LEU 34 -7.867 -14.289 -7.583 284 HD13 LEU 34 3HD1 LEU 34 -7.058 -13.239 -6.413 285 HD21 LEU 34 3HD2 LEU 34 -5.388 -12.394 -8.255 286 HD22 LEU 34 1HD2 LEU 34 -6.489 -13.321 -9.319 287 HD23 LEU 34 2HD2 LEU 34 -4.757 -13.625 -9.358 288 H THR 35 H THR 35 -3.943 -15.263 -3.900 289 HA THR 35 HA THR 35 -6.439 -15.266 -2.639 290 HB THR 35 HB THR 35 -3.752 -15.994 -1.402 291 HG1 THR 35 1HG THR 35 -3.996 -17.984 -2.428 292 HG21 THR 35 3HG2 THR 35 -5.680 -16.244 0.106 293 HG22 THR 35 1HG2 THR 35 -5.041 -17.826 -0.341 294 HG23 THR 35 2HG2 THR 35 -6.540 -17.223 -1.098 295 H GLU 36 H GLU 36 -3.484 -13.383 -1.908 296 HA GLU 36 HA GLU 36 -4.345 -12.399 0.641 297 HB2 GLU 36 1HB GLU 36 -2.408 -11.207 -1.360 298 HB3 GLU 36 2HB GLU 36 -2.519 -10.802 0.347 299 HG2 GLU 36 1HG GLU 36 -1.541 -12.839 1.046 300 HG3 GLU 36 2HG GLU 36 -1.828 -13.627 -0.513 301 H ARG 37 H ARG 37 -4.629 -11.352 -2.711 302 HA ARG 37 HA ARG 37 -5.457 -8.684 -2.219 303 HB2 ARG 37 1HB ARG 37 -4.325 -9.640 -4.242 304 HB3 ARG 37 2HB ARG 37 -5.821 -10.410 -4.714 305 HG2 ARG 37 1HG ARG 37 -5.698 -7.410 -4.277 306 HG3 ARG 37 2HG ARG 37 -4.973 -8.099 -5.725 307 HD2 ARG 37 1HD ARG 37 -7.845 -8.517 -4.906 308 HD3 ARG 37 2HD ARG 37 -7.321 -7.314 -6.077 309 HE ARG 37 HE ARG 37 -6.286 -9.430 -7.243 310 HH11 ARG 37 1HH1 ARG 37 -9.501 -9.330 -5.620 311 HH12 ARG 37 2HH1 ARG 37 -10.016 -10.806 -6.371 312 HH21 ARG 37 1HH2 ARG 37 -7.212 -11.256 -8.434 313 HH22 ARG 37 2HH2 ARG 37 -8.832 -11.714 -8.087 314 H SER 38 H SER 38 -7.281 -11.715 -2.165 315 HA SER 38 HA SER 38 -9.791 -10.156 -2.086 316 HB2 SER 38 1HB SER 38 -10.960 -12.189 -2.352 317 HB3 SER 38 2HB SER 38 -9.718 -12.047 -3.587 318 HG SER 38 HG SER 38 -9.874 -13.766 -1.375 319 H GLN 39 H GLN 39 -7.426 -11.033 0.196 320 HA GLN 39 HA GLN 39 -9.033 -11.920 2.356 321 HB2 GLN 39 1HB GLN 39 -6.427 -10.392 2.351 322 HB3 GLN 39 2HB GLN 39 -7.243 -10.881 3.826 323 HG2 GLN 39 1HG GLN 39 -6.961 -13.100 1.880 324 HG3 GLN 39 2HG GLN 39 -5.463 -12.393 2.427 325 HE21 GLN 39 1HE2 GLN 39 -8.603 -13.351 4.111 326 HE22 GLN 39 2HE2 GLN 39 -7.702 -14.098 5.410 327 H ILE 40 H ILE 40 -7.747 -8.659 1.739 328 HA ILE 40 HA ILE 40 -9.180 -7.229 3.646 329 HB ILE 40 HB ILE 40 -7.980 -6.521 0.958 330 HG12 ILE 40 1HG1 ILE 40 -6.780 -5.100 3.212 331 HG13 ILE 40 2HG1 ILE 40 -6.986 -6.760 3.694 332 HG21 ILE 40 1HG2 ILE 40 -8.221 -4.175 1.267 333 HG22 ILE 40 2HG2 ILE 40 -9.823 -4.876 1.287 334 HG23 ILE 40 3HG2 ILE 40 -9.066 -4.390 2.814 335 HD11 ILE 40 3HD1 ILE 40 -5.781 -7.571 1.704 336 HD12 ILE 40 1HD1 ILE 40 -5.597 -5.897 1.125 337 HD13 ILE 40 2HD1 ILE 40 -4.803 -6.413 2.634 338 H ALA 41 H ALA 41 -10.176 -7.859 0.240 339 HA ALA 41 HA ALA 41 -12.509 -6.260 0.406 340 HB1 ALA 41 1HB ALA 41 -11.478 -6.965 -1.722 341 HB2 ALA 41 2HB ALA 41 -11.914 -8.657 -1.379 342 HB3 ALA 41 3HB ALA 41 -13.177 -7.443 -1.657 343 H HIS 42 H HIS 42 -11.966 -9.526 1.641 344 HA HIS 42 HA HIS 42 -14.787 -10.187 1.890 345 HB2 HIS 42 1HB HIS 42 -13.061 -11.874 1.469 346 HB3 HIS 42 2HB HIS 42 -12.257 -11.452 2.964 347 HD1 HIS 42 1HD HIS 42 -13.465 -12.347 5.298 348 HD2 HIS 42 2HD HIS 42 -15.055 -13.637 1.595 349 HE1 HIS 42 1HE HIS 42 -14.907 -14.345 5.800 350 H ALA 43 H ALA 43 -12.839 -7.972 3.658 351 HA ALA 43 HA ALA 43 -14.354 -8.388 6.169 352 HB1 ALA 43 1HB ALA 43 -12.270 -9.727 6.314 353 HB2 ALA 43 2HB ALA 43 -11.316 -8.288 5.899 354 HB3 ALA 43 3HB ALA 43 -12.226 -8.338 7.425 355 H LEU 44 H LEU 44 -13.296 -6.257 3.794 356 HA LEU 44 HA LEU 44 -13.905 -3.873 5.313 357 HB2 LEU 44 1HB LEU 44 -11.365 -4.419 3.740 358 HB3 LEU 44 2HB LEU 44 -12.043 -2.809 3.910 359 HG LEU 44 HG LEU 44 -11.195 -4.494 6.292 360 HD11 LEU 44 1HD1 LEU 44 -9.761 -2.601 4.417 361 HD12 LEU 44 2HD1 LEU 44 -9.248 -4.160 5.100 362 HD13 LEU 44 3HD1 LEU 44 -9.269 -2.684 6.092 363 HD21 LEU 44 3HD2 LEU 44 -12.782 -2.793 6.986 364 HD22 LEU 44 1HD2 LEU 44 -12.053 -1.585 5.962 365 HD23 LEU 44 2HD2 LEU 44 -11.184 -2.184 7.413 366 H LYS 45 H LYS 45 -15.450 -3.454 4.268 367 HA LYS 45 HA LYS 45 -16.529 -3.879 1.739 368 HB2 LYS 45 1HB LYS 45 -17.163 -1.321 3.216 369 HB3 LYS 45 2HB LYS 45 -18.214 -2.381 2.300 370 HG2 LYS 45 1HG LYS 45 -18.972 -2.936 4.340 371 HG3 LYS 45 2HG LYS 45 -17.672 -4.100 4.269 372 HD2 LYS 45 1HD LYS 45 -17.672 -3.026 6.451 373 HD3 LYS 45 2HD LYS 45 -16.224 -2.463 5.601 374 HE2 LYS 45 1HE LYS 45 -17.425 -0.369 4.986 375 HE3 LYS 45 2HE LYS 45 -18.869 -0.954 5.819 376 HZ1 LYS 45 3HZ LYS 45 -17.561 -0.937 7.887 377 HZ2 LYS 45 1HZ LYS 45 -17.669 0.546 7.177 378 HZ3 LYS 45 2HZ LYS 45 -16.276 -0.369 7.076 379 H LEU 46 H LEU 46 -13.844 -2.992 1.326 380 HA LEU 46 HA LEU 46 -13.639 -0.424 0.067 381 HB2 LEU 46 1HB LEU 46 -11.968 -2.852 0.490 382 HB3 LEU 46 2HB LEU 46 -11.740 -2.194 -1.094 383 HG LEU 46 HG LEU 46 -11.511 0.136 0.203 384 HD11 LEU 46 1HD1 LEU 46 -10.632 -1.907 2.275 385 HD12 LEU 46 2HD1 LEU 46 -12.082 -0.891 2.383 386 HD13 LEU 46 3HD1 LEU 46 -10.462 -0.149 2.375 387 HD21 LEU 46 3HD2 LEU 46 -9.770 -0.989 -1.193 388 HD22 LEU 46 1HD2 LEU 46 -9.318 -1.983 0.217 389 HD23 LEU 46 2HD2 LEU 46 -9.105 -0.203 0.259 390 H SER 47 H SER 47 -12.687 -0.576 -2.354 391 HA SER 47 HA SER 47 -14.784 -1.739 -4.102 392 HB2 SER 47 1HB SER 47 -12.682 0.448 -4.457 393 HB3 SER 47 2HB SER 47 -13.763 -0.134 -5.733 394 HG SER 47 HG SER 47 -14.506 1.067 -3.244 395 H GLU 48 H GLU 48 -14.124 -3.800 -4.743 396 HA GLU 48 HA GLU 48 -11.533 -4.856 -4.623 397 HB2 GLU 48 1HB GLU 48 -13.960 -5.540 -6.291 398 HB3 GLU 48 2HB GLU 48 -12.486 -6.502 -6.403 399 HG2 GLU 48 1HG GLU 48 -12.830 -7.562 -4.441 400 HG3 GLU 48 2HG GLU 48 -13.319 -6.084 -3.613 401 H VAL 49 H VAL 49 -12.943 -2.885 -7.189 402 HA VAL 49 HA VAL 49 -11.070 -3.519 -9.283 403 HB VAL 49 HB VAL 49 -12.590 -0.943 -8.672 404 HG11 VAL 49 1HG1 VAL 49 -11.197 -1.882 -11.211 405 HG12 VAL 49 2HG1 VAL 49 -12.252 -0.447 -11.086 406 HG13 VAL 49 3HG1 VAL 49 -10.724 -0.498 -10.202 407 HG21 VAL 49 3HG2 VAL 49 -14.166 -1.759 -10.403 408 HG22 VAL 49 1HG2 VAL 49 -13.265 -3.285 -10.510 409 HG23 VAL 49 2HG2 VAL 49 -14.128 -2.844 -9.020 410 H GLN 50 H GLN 50 -11.014 -1.205 -6.560 411 HA GLN 50 HA GLN 50 -8.736 0.232 -7.464 412 HB2 GLN 50 1HB GLN 50 -10.810 0.618 -5.700 413 HB3 GLN 50 2HB GLN 50 -9.543 0.192 -4.591 414 HG2 GLN 50 1HG GLN 50 -9.631 2.454 -6.621 415 HG3 GLN 50 2HG GLN 50 -9.701 2.571 -4.859 416 HE21 GLN 50 1HE2 GLN 50 -7.580 1.820 -3.716 417 HE22 GLN 50 2HE2 GLN 50 -6.093 2.289 -4.545 418 H VAL 51 H VAL 51 -9.207 -2.509 -5.120 419 HA VAL 51 HA VAL 51 -6.695 -2.396 -3.934 420 HB VAL 51 HB VAL 51 -8.236 -4.940 -4.588 421 HG11 VAL 51 1HG1 VAL 51 -7.306 -5.748 -2.460 422 HG12 VAL 51 2HG1 VAL 51 -5.990 -5.229 -3.524 423 HG13 VAL 51 3HG1 VAL 51 -6.503 -4.191 -2.183 424 HG21 VAL 51 3HG2 VAL 51 -9.420 -4.576 -2.395 425 HG22 VAL 51 1HG2 VAL 51 -8.742 -2.938 -2.332 426 HG23 VAL 51 2HG2 VAL 51 -9.882 -3.396 -3.609 427 H LYS 52 H LYS 52 -7.617 -3.609 -7.090 428 HA LYS 52 HA LYS 52 -5.386 -5.115 -7.880 429 HB2 LYS 52 1HB LYS 52 -7.771 -4.582 -8.903 430 HB3 LYS 52 2HB LYS 52 -6.900 -3.297 -9.752 431 HG2 LYS 52 1HG LYS 52 -5.376 -5.089 -10.696 432 HG3 LYS 52 2HG LYS 52 -6.417 -6.295 -9.925 433 HD2 LYS 52 1HD LYS 52 -7.198 -4.264 -12.069 434 HD3 LYS 52 2HD LYS 52 -7.045 -6.007 -12.280 435 HE2 LYS 52 1HE LYS 52 -9.098 -4.604 -10.516 436 HE3 LYS 52 2HE LYS 52 -9.408 -5.171 -12.152 437 HZ1 LYS 52 3HZ LYS 52 -8.511 -7.056 -10.078 438 HZ2 LYS 52 1HZ LYS 52 -9.340 -7.365 -11.481 439 HZ3 LYS 52 2HZ LYS 52 -10.086 -6.628 -10.228 440 H ILE 53 H ILE 53 -5.571 -1.620 -7.488 441 HA ILE 53 HA ILE 53 -3.049 -1.290 -9.058 442 HB ILE 53 HB ILE 53 -4.960 0.822 -8.133 443 HG12 ILE 53 1HG1 ILE 53 -5.296 0.691 -10.925 444 HG13 ILE 53 2HG1 ILE 53 -5.174 -1.005 -10.517 445 HG21 ILE 53 1HG2 ILE 53 -2.812 0.839 -10.302 446 HG22 ILE 53 2HG2 ILE 53 -3.913 2.186 -9.911 447 HG23 ILE 53 3HG2 ILE 53 -2.719 1.654 -8.725 448 HD11 ILE 53 3HD1 ILE 53 -7.514 -0.200 -10.495 449 HD12 ILE 53 1HD1 ILE 53 -7.025 -0.691 -8.866 450 HD13 ILE 53 2HD1 ILE 53 -7.082 1.035 -9.290 451 H TRP 54 H TRP 54 -4.477 -1.043 -5.834 452 HA TRP 54 HA TRP 54 -2.842 0.902 -4.723 453 HB2 TRP 54 1HB TRP 54 -4.917 -0.085 -3.805 454 HB3 TRP 54 2HB TRP 54 -4.040 -1.553 -3.401 455 HD1 TRP 54 HD TRP 54 -4.816 1.896 -2.148 456 HE1 TRP 54 1HE TRP 54 -3.990 2.129 0.292 457 HE3 TRP 54 3HE TRP 54 -2.024 -2.379 -1.808 458 HZ2 TRP 54 2HZ TRP 54 -2.338 0.657 2.111 459 HZ3 TRP 54 3HZ TRP 54 -0.965 -2.992 0.325 460 HH2 TRP 54 HH TRP 54 -1.099 -1.480 2.293 461 H PHE 55 H PHE 55 -2.134 -2.483 -5.200 462 HA PHE 55 HA PHE 55 0.468 -2.267 -3.741 463 HB2 PHE 55 1HB PHE 55 0.862 -4.583 -4.396 464 HB3 PHE 55 2HB PHE 55 -0.655 -4.395 -3.531 465 HD1 PHE 55 1HD PHE 55 0.872 -5.005 -6.905 466 HD2 PHE 55 2HD PHE 55 -2.793 -4.830 -4.613 467 HE1 PHE 55 1HE PHE 55 -0.410 -5.863 -8.838 468 HE2 PHE 55 2HE PHE 55 -3.998 -5.857 -6.470 469 HZ PHE 55 HZ PHE 55 -2.843 -6.287 -8.634 470 H GLN 56 H GLN 56 -0.785 -2.161 -7.091 471 HA GLN 56 HA GLN 56 1.554 -2.510 -8.556 472 HB2 GLN 56 1HB GLN 56 -1.075 -2.195 -9.002 473 HB3 GLN 56 2HB GLN 56 -0.537 -0.572 -9.447 474 HG2 GLN 56 1HG GLN 56 1.001 -1.550 -11.113 475 HG3 GLN 56 2HG GLN 56 0.556 -3.185 -10.585 476 HE21 GLN 56 1HE2 GLN 56 -2.189 -3.349 -10.423 477 HE22 GLN 56 2HE2 GLN 56 -2.807 -2.985 -11.979 478 H ASN 57 H ASN 57 0.174 0.323 -6.919 479 HA ASN 57 HA ASN 57 1.923 2.321 -7.845 480 HB2 ASN 57 1HB ASN 57 0.878 2.060 -4.998 481 HB3 ASN 57 2HB ASN 57 1.444 3.532 -5.774 482 HD21 ASN 57 1HD2 ASN 57 -0.077 3.319 -8.386 483 HD22 ASN 57 2HD2 ASN 57 -1.735 3.405 -7.856 484 H ARG 58 H ARG 58 2.456 -0.045 -5.216 485 HA ARG 58 HA ARG 58 4.965 0.985 -4.355 486 HB2 ARG 58 1HB ARG 58 3.162 -0.912 -3.417 487 HB3 ARG 58 2HB ARG 58 4.470 -1.927 -3.970 488 HG2 ARG 58 1HG ARG 58 4.338 -0.031 -1.668 489 HG3 ARG 58 2HG ARG 58 4.952 -1.670 -1.746 490 HD2 ARG 58 1HD ARG 58 6.985 -0.872 -2.887 491 HD3 ARG 58 2HD ARG 58 6.418 0.806 -2.755 492 HE ARG 58 HE ARG 58 7.773 -0.756 -0.773 493 HH11 ARG 58 1HH1 ARG 58 5.336 1.869 -0.996 494 HH12 ARG 58 2HH1 ARG 58 5.866 2.552 0.513 495 HH21 ARG 58 1HH2 ARG 58 8.216 -0.006 1.217 496 HH22 ARG 58 2HH2 ARG 58 7.577 1.490 1.793 497 H ARG 59 H ARG 59 4.347 -0.519 -7.348 498 HA ARG 59 HA ARG 59 7.233 -1.333 -7.498 499 HB2 ARG 59 1HB ARG 59 6.725 -2.753 -9.397 500 HB3 ARG 59 2HB ARG 59 5.978 -3.294 -7.903 501 HG2 ARG 59 1HG ARG 59 3.797 -2.509 -8.628 502 HG3 ARG 59 2HG ARG 59 4.494 -1.776 -10.085 503 HD2 ARG 59 1HD ARG 59 3.400 -3.822 -10.703 504 HD3 ARG 59 2HD ARG 59 5.142 -4.071 -10.859 505 HE ARG 59 HE ARG 59 5.124 -5.220 -8.713 506 HH11 ARG 59 1HH1 ARG 59 2.100 -5.411 -10.707 507 HH12 ARG 59 2HH1 ARG 59 1.502 -6.732 -9.794 508 HH21 ARG 59 1HH2 ARG 59 4.252 -7.036 -7.629 509 HH22 ARG 59 2HH2 ARG 59 2.710 -7.669 -8.060 510 H ALA 60 H ALA 60 4.796 0.868 -8.717 511 HA ALA 60 HA ALA 60 6.435 1.780 -10.970 512 HB1 ALA 60 1HB ALA 60 4.010 2.971 -9.543 513 HB2 ALA 60 2HB ALA 60 4.739 3.594 -11.032 514 HB3 ALA 60 3HB ALA 60 3.987 1.988 -11.027 515 H LYS 61 H LYS 61 5.962 2.669 -7.603 516 HA LYS 61 HA LYS 61 6.336 5.267 -7.661 517 HB2 LYS 61 1HB LYS 61 5.627 3.971 -5.743 518 HB3 LYS 61 2HB LYS 61 7.230 3.330 -5.472 519 HG2 LYS 61 1HG LYS 61 6.734 6.322 -5.324 520 HG3 LYS 61 2HG LYS 61 6.166 5.275 -4.020 521 HD2 LYS 61 1HD LYS 61 8.493 4.366 -3.764 522 HD3 LYS 61 2HD LYS 61 9.058 5.590 -4.893 523 HE2 LYS 61 1HE LYS 61 7.815 6.021 -2.150 524 HE3 LYS 61 2HE LYS 61 9.468 6.343 -2.654 525 HZ1 LYS 61 3HZ LYS 61 7.056 7.876 -3.374 526 HZ2 LYS 61 1HZ LYS 61 8.433 7.960 -4.260 527 HZ3 LYS 61 2HZ LYS 61 8.490 8.400 -2.705 528 H TRP 62 H TRP 62 9.369 3.335 -6.922 529 HA TRP 62 HA TRP 62 10.950 5.755 -7.166 530 HB2 TRP 62 1HB TRP 62 12.061 2.976 -7.484 531 HB3 TRP 62 2HB TRP 62 12.831 4.418 -6.828 532 HD1 TRP 62 HD TRP 62 12.018 5.126 -4.277 533 HE1 TRP 62 1HE TRP 62 11.035 3.742 -2.380 534 HE3 TRP 62 3HE TRP 62 10.690 0.993 -6.968 535 HZ2 TRP 62 2HZ TRP 62 9.735 1.124 -2.082 536 HZ3 TRP 62 3HZ TRP 62 9.563 -0.887 -5.918 537 HH2 TRP 62 HH TRP 62 9.099 -0.863 -3.433 538 H LYS 63 H LYS 63 10.172 3.072 -9.393 539 HA LYS 63 HA LYS 63 11.958 3.863 -11.442 540 HB2 LYS 63 1HB LYS 63 9.663 1.968 -11.144 541 HB3 LYS 63 2HB LYS 63 9.787 2.668 -12.734 542 HG2 LYS 63 1HG LYS 63 11.171 1.049 -13.210 543 HG3 LYS 63 2HG LYS 63 12.404 1.996 -12.421 544 HD2 LYS 63 1HD LYS 63 12.219 0.607 -10.388 545 HD3 LYS 63 2HD LYS 63 10.781 -0.215 -11.044 546 HE2 LYS 63 1HE LYS 63 12.098 -0.946 -13.030 547 HE3 LYS 63 2HE LYS 63 13.536 -0.166 -12.371 548 HZ1 LYS 63 3HZ LYS 63 13.486 -2.539 -12.051 549 HZ2 LYS 63 1HZ LYS 63 12.149 -2.482 -11.131 550 HZ3 LYS 63 2HZ LYS 63 13.540 -1.770 -10.591 551 H ARG 64 H ARG 64 8.771 5.199 -10.622 552 HA ARG 64 HA ARG 64 8.545 6.717 -13.065 553 HB2 ARG 64 1HB ARG 64 7.259 6.804 -10.392 554 HB3 ARG 64 2HB ARG 64 7.042 8.196 -11.450 555 HG2 ARG 64 1HG ARG 64 6.372 5.340 -12.197 556 HG3 ARG 64 2HG ARG 64 5.198 6.478 -11.589 557 HD2 ARG 64 1HD ARG 64 6.808 7.246 -14.058 558 HD3 ARG 64 2HD ARG 64 5.417 6.174 -14.193 559 HE ARG 64 HE ARG 64 4.550 8.339 -12.682 560 HH11 ARG 64 1HH1 ARG 64 6.166 8.304 -15.895 561 HH12 ARG 64 2HH1 ARG 64 5.019 9.385 -16.570 562 HH21 ARG 64 1HH2 ARG 64 3.042 9.774 -13.691 563 HH22 ARG 64 2HH2 ARG 64 3.355 10.319 -15.307 564 H ILE 65 H ILE 65 10.477 7.312 -10.156 565 HA ILE 65 HA ILE 65 10.982 10.093 -10.996 566 HB ILE 65 HB ILE 65 12.183 8.365 -8.788 567 HG12 ILE 65 1HG1 ILE 65 9.811 8.599 -8.389 568 HG13 ILE 65 2HG1 ILE 65 10.740 9.517 -7.237 569 HG21 ILE 65 1HG2 ILE 65 12.276 11.393 -9.056 570 HG22 ILE 65 2HG2 ILE 65 12.994 10.398 -7.771 571 HG23 ILE 65 3HG2 ILE 65 13.612 10.309 -9.430 572 HD11 ILE 65 3HD1 ILE 65 8.689 10.697 -7.994 573 HD12 ILE 65 1HD1 ILE 65 10.145 11.629 -8.364 574 HD13 ILE 65 2HD1 ILE 65 9.318 10.717 -9.648 575 H LYS 66 H LYS 66 12.653 6.966 -10.617 576 HA LYS 66 HA LYS 66 15.001 7.774 -12.077 577 HB2 LYS 66 1HB LYS 66 14.467 5.961 -10.114 578 HB3 LYS 66 2HB LYS 66 14.401 4.880 -11.486 579 HG2 LYS 66 1HG LYS 66 16.733 6.755 -10.822 580 HG3 LYS 66 2HG LYS 66 16.628 5.058 -10.357 581 HD2 LYS 66 1HD LYS 66 16.466 4.492 -12.825 582 HD3 LYS 66 2HD LYS 66 16.946 6.176 -13.147 583 HE2 LYS 66 1HE LYS 66 18.957 5.760 -11.610 584 HE3 LYS 66 2HE LYS 66 18.481 4.052 -11.560 585 HZ1 LYS 66 3HZ LYS 66 19.448 5.623 -13.829 586 HZ2 LYS 66 1HZ LYS 66 18.672 4.195 -14.088 587 HZ3 LYS 66 2HZ LYS 66 20.096 4.252 -13.225 588 H ALA 67 H ALA 67 13.025 8.436 -13.721 589 HA ALA 67 HA ALA 67 12.435 6.212 -15.605 590 HB1 ALA 67 1HB ALA 67 10.390 7.375 -16.100 591 HB2 ALA 67 2HB ALA 67 10.516 7.319 -14.339 592 HB3 ALA 67 3HB ALA 67 10.903 8.815 -15.188 593 H GLY 68 H GLY 68 14.773 8.261 -15.545 594 HA2 GLY 68 1HA GLY 68 15.586 8.304 -18.053 595 HA3 GLY 68 2HA GLY 68 14.408 9.631 -18.111 596 H ASN 69 H ASN 69 15.025 10.142 -15.143 597 HA ASN 69 HA ASN 69 17.805 11.033 -15.089 598 HB2 ASN 69 1HB ASN 69 17.230 13.210 -14.256 599 HB3 ASN 69 2HB ASN 69 16.551 12.979 -15.877 600 HD21 ASN 69 1HD2 ASN 69 15.811 14.597 -13.160 601 HD22 ASN 69 2HD2 ASN 69 14.081 14.424 -13.236 602 H VAL 70 H VAL 70 17.705 12.236 -12.593 603 HA VAL 70 HA VAL 70 17.011 9.956 -10.866 604 HB VAL 70 HB VAL 70 18.731 10.900 -9.332 605 HG11 VAL 70 1HG1 VAL 70 20.676 10.203 -10.673 606 HG12 VAL 70 2HG1 VAL 70 19.305 9.101 -10.899 607 HG13 VAL 70 3HG1 VAL 70 19.701 10.297 -12.151 608 HG21 VAL 70 3HG2 VAL 70 20.294 12.607 -10.071 609 HG22 VAL 70 1HG2 VAL 70 19.465 12.777 -11.625 610 HG23 VAL 70 2HG2 VAL 70 18.664 13.284 -10.123 611 H SER 71 H SER 71 17.101 11.520 -8.386 612 HA SER 71 HA SER 71 14.380 12.530 -8.318 613 HB2 SER 71 1HB SER 71 16.725 12.628 -6.364 614 HB3 SER 71 2HB SER 71 15.170 13.408 -6.070 615 HG SER 71 HG SER 71 14.850 11.520 -5.166 Start of MODEL 16 1 H1 SER 1 H SER 1 14.249 6.649 2.352 2 HA SER 1 HA SER 1 14.047 8.421 3.968 3 HB2 SER 1 1HB SER 1 15.389 6.302 4.429 4 HB3 SER 1 2HB SER 1 16.838 7.319 4.305 5 HG SER 1 HG SER 1 15.569 6.950 6.418 6 H ALA 2 H ALA 2 16.930 8.932 1.838 7 HA ALA 2 HA ALA 2 18.235 10.822 3.122 8 HB1 ALA 2 1HB ALA 2 18.820 9.833 0.897 9 HB2 ALA 2 2HB ALA 2 17.610 10.891 0.142 10 HB3 ALA 2 3HB ALA 2 19.022 11.597 0.930 11 HA PRO 3 HA PRO 3 15.950 14.724 3.203 12 HB2 PRO 3 1HB PRO 3 18.057 16.521 2.853 13 HB3 PRO 3 2HB PRO 3 17.565 15.792 4.406 14 HG2 PRO 3 1HG PRO 3 19.773 14.964 2.553 15 HG3 PRO 3 2HG PRO 3 19.792 15.031 4.339 16 HD2 PRO 3 1HD PRO 3 19.467 12.707 2.960 17 HD3 PRO 3 2HD PRO 3 18.604 13.005 4.499 18 H GLY 4 H GLY 4 15.222 16.376 1.682 19 HA2 GLY 4 1HA GLY 4 15.720 16.803 -0.963 20 HA3 GLY 4 2HA GLY 4 15.220 15.103 -0.908 21 H GLY 5 H GLY 5 13.476 16.030 -2.223 22 HA2 GLY 5 1HA GLY 5 11.645 17.953 -1.135 23 HA3 GLY 5 2HA GLY 5 11.453 17.041 -2.634 24 H LYS 6 H LYS 6 9.143 17.090 -1.895 25 HA LYS 6 HA LYS 6 8.564 15.101 0.253 26 HB2 LYS 6 1HB LYS 6 7.039 17.631 -0.484 27 HB3 LYS 6 2HB LYS 6 6.644 16.539 0.835 28 HG2 LYS 6 1HG LYS 6 8.709 17.161 2.037 29 HG3 LYS 6 2HG LYS 6 9.248 18.143 0.664 30 HD2 LYS 6 1HD LYS 6 7.020 19.418 0.962 31 HD3 LYS 6 2HD LYS 6 6.991 18.764 2.595 32 HE2 LYS 6 1HE LYS 6 9.414 20.205 1.428 33 HE3 LYS 6 2HE LYS 6 8.077 21.114 2.128 34 HZ1 LYS 6 3HZ LYS 6 8.604 20.380 4.251 35 HZ2 LYS 6 1HZ LYS 6 10.058 20.572 3.597 36 HZ3 LYS 6 2HZ LYS 6 9.480 19.067 3.720 37 H SER 7 H SER 7 6.404 14.051 -0.023 38 HA SER 7 HA SER 7 5.095 14.234 -2.606 39 HB2 SER 7 1HB SER 7 7.014 12.708 -3.100 40 HB3 SER 7 2HB SER 7 6.399 11.573 -1.888 41 HG SER 7 HG SER 7 4.595 11.231 -3.138 42 H ARG 8 H ARG 8 3.008 14.243 -1.983 43 HA ARG 8 HA ARG 8 2.088 12.455 0.214 44 HB2 ARG 8 1HB ARG 8 2.662 14.883 0.889 45 HB3 ARG 8 2HB ARG 8 1.303 15.364 -0.095 46 HG2 ARG 8 1HG ARG 8 0.539 15.410 2.121 47 HG3 ARG 8 2HG ARG 8 -0.191 13.977 1.439 48 HD2 ARG 8 1HD ARG 8 0.489 13.483 3.657 49 HD3 ARG 8 2HD ARG 8 1.556 12.573 2.577 50 HE ARG 8 HE ARG 8 3.018 14.796 2.956 51 HH11 ARG 8 1HH1 ARG 8 1.358 12.826 5.490 52 HH12 ARG 8 2HH1 ARG 8 2.511 13.276 6.695 53 HH21 ARG 8 1HH2 ARG 8 4.505 15.183 4.425 54 HH22 ARG 8 2HH2 ARG 8 4.500 14.561 6.037 55 H ARG 9 H ARG 9 1.814 12.222 -2.737 56 HA ARG 9 HA ARG 9 -0.619 13.510 -3.499 57 HB2 ARG 9 1HB ARG 9 -0.177 12.846 -5.713 58 HB3 ARG 9 2HB ARG 9 1.338 13.337 -4.972 59 HG2 ARG 9 1HG ARG 9 2.142 11.083 -4.869 60 HG3 ARG 9 2HG ARG 9 0.544 10.410 -5.243 61 HD2 ARG 9 1HD ARG 9 0.569 11.541 -7.441 62 HD3 ARG 9 2HD ARG 9 2.196 12.153 -7.111 63 HE ARG 9 HE ARG 9 2.239 9.360 -6.735 64 HH11 ARG 9 1HH1 ARG 9 1.673 11.547 -9.510 65 HH12 ARG 9 2HH1 ARG 9 2.127 10.353 -10.690 66 HH21 ARG 9 1HH2 ARG 9 2.843 7.810 -8.327 67 HH22 ARG 9 2HH2 ARG 9 2.977 8.241 -9.988 68 H ARG 10 H ARG 10 -1.370 11.652 -1.541 69 HA ARG 10 HA ARG 10 -2.351 9.205 -2.688 70 HB2 ARG 10 1HB ARG 10 -3.147 8.736 -0.507 71 HB3 ARG 10 2HB ARG 10 -1.513 9.340 -0.421 72 HG2 ARG 10 1HG ARG 10 -2.239 11.425 0.557 73 HG3 ARG 10 2HG ARG 10 -3.927 11.146 0.197 74 HD2 ARG 10 1HD ARG 10 -4.008 9.203 1.667 75 HD3 ARG 10 2HD ARG 10 -2.302 9.400 2.064 76 HE ARG 10 HE ARG 10 -3.526 11.859 2.653 77 HH11 ARG 10 1HH1 ARG 10 -4.008 8.509 3.725 78 HH12 ARG 10 2HH1 ARG 10 -4.537 8.930 5.304 79 HH21 ARG 10 1HH2 ARG 10 -4.271 12.463 4.654 80 HH22 ARG 10 2HH2 ARG 10 -4.753 11.291 5.836 81 H ARG 11 H ARG 11 -3.692 10.712 -4.416 82 HA ARG 11 HA ARG 11 -6.357 11.390 -3.392 83 HB2 ARG 11 1HB ARG 11 -5.494 11.224 -6.298 84 HB3 ARG 11 2HB ARG 11 -6.959 11.963 -5.634 85 HG2 ARG 11 1HG ARG 11 -5.270 13.426 -4.221 86 HG3 ARG 11 2HG ARG 11 -4.079 12.894 -5.411 87 HD2 ARG 11 1HD ARG 11 -4.861 14.914 -6.290 88 HD3 ARG 11 2HD ARG 11 -5.780 13.708 -7.195 89 HE ARG 11 HE ARG 11 -7.036 14.720 -4.726 90 HH11 ARG 11 1HH1 ARG 11 -6.885 15.156 -8.245 91 HH12 ARG 11 2HH1 ARG 11 -8.204 16.269 -8.265 92 HH21 ARG 11 1HH2 ARG 11 -8.950 15.962 -4.886 93 HH22 ARG 11 2HH2 ARG 11 -9.433 16.666 -6.397 94 H THR 12 H THR 12 -6.053 8.900 -2.519 95 HA THR 12 HA THR 12 -7.231 6.928 -4.345 96 HB THR 12 HB THR 12 -6.791 6.628 -1.338 97 HG1 THR 12 1HG THR 12 -4.771 6.556 -1.555 98 HG21 THR 12 3HG2 THR 12 -7.935 4.806 -2.342 99 HG22 THR 12 1HG2 THR 12 -6.275 4.316 -1.982 100 HG23 THR 12 2HG2 THR 12 -6.718 4.701 -3.656 101 H ALA 13 H ALA 13 -9.415 5.945 -3.836 102 HA ALA 13 HA ALA 13 -11.201 8.036 -2.834 103 HB1 ALA 13 1HB ALA 13 -12.928 6.765 -3.997 104 HB2 ALA 13 2HB ALA 13 -11.540 6.922 -5.088 105 HB3 ALA 13 3HB ALA 13 -11.828 5.397 -4.211 106 H PHE 14 H PHE 14 -9.625 5.942 -1.278 107 HA PHE 14 HA PHE 14 -11.773 4.532 0.225 108 HB2 PHE 14 1HB PHE 14 -8.762 4.468 0.644 109 HB3 PHE 14 2HB PHE 14 -9.911 3.389 1.413 110 HD1 PHE 14 2HD PHE 14 -11.636 2.373 -0.735 111 HD2 PHE 14 1HD PHE 14 -7.379 3.051 -0.542 112 HE1 PHE 14 2HE PHE 14 -11.266 0.618 -2.407 113 HE2 PHE 14 1HE PHE 14 -7.022 1.415 -2.305 114 HZ PHE 14 HZ PHE 14 -8.944 0.080 -3.181 115 H THR 15 H THR 15 -11.436 4.374 2.652 116 HA THR 15 HA THR 15 -11.549 7.084 3.767 117 HB THR 15 HB THR 15 -12.765 5.882 5.556 118 HG1 THR 15 1HG THR 15 -12.959 3.612 5.360 119 HG21 THR 15 3HG2 THR 15 -14.618 4.859 4.244 120 HG22 THR 15 1HG2 THR 15 -13.668 4.989 2.765 121 HG23 THR 15 2HG2 THR 15 -14.158 6.453 3.636 122 H SER 16 H SER 16 -10.755 6.900 6.295 123 HA SER 16 HA SER 16 -7.954 5.920 6.305 124 HB2 SER 16 1HB SER 16 -8.098 8.012 7.266 125 HB3 SER 16 2HB SER 16 -9.660 7.699 8.034 126 HG SER 16 HG SER 16 -8.731 6.545 9.593 127 H GLU 17 H GLU 17 -11.216 5.233 7.648 128 HA GLU 17 HA GLU 17 -10.354 3.207 9.469 129 HB2 GLU 17 1HB GLU 17 -12.918 4.263 8.386 130 HB3 GLU 17 2HB GLU 17 -12.973 2.611 8.939 131 HG2 GLU 17 1HG GLU 17 -11.880 3.435 11.124 132 HG3 GLU 17 2HG GLU 17 -12.329 5.068 10.587 133 H GLN 18 H GLN 18 -10.514 2.975 6.061 134 HA GLN 18 HA GLN 18 -10.673 -0.006 6.256 135 HB2 GLN 18 1HB GLN 18 -11.867 -0.047 4.375 136 HB3 GLN 18 2HB GLN 18 -12.234 1.601 4.895 137 HG2 GLN 18 1HG GLN 18 -10.506 2.498 3.402 138 HG3 GLN 18 2HG GLN 18 -10.378 0.899 2.654 139 HE21 GLN 18 1HE2 GLN 18 -13.137 0.068 2.649 140 HE22 GLN 18 2HE2 GLN 18 -14.046 1.222 1.659 141 H LEU 19 H LEU 19 -8.594 2.475 5.707 142 HA LEU 19 HA LEU 19 -6.499 1.051 4.185 143 HB2 LEU 19 1HB LEU 19 -6.848 3.726 5.468 144 HB3 LEU 19 2HB LEU 19 -5.210 3.108 5.499 145 HG LEU 19 HG LEU 19 -4.965 3.111 3.169 146 HD11 LEU 19 1HD1 LEU 19 -7.001 2.120 2.343 147 HD12 LEU 19 2HD1 LEU 19 -6.690 3.648 1.543 148 HD13 LEU 19 3HD1 LEU 19 -7.929 3.535 2.831 149 HD21 LEU 19 3HD2 LEU 19 -6.510 5.551 4.102 150 HD22 LEU 19 1HD2 LEU 19 -5.592 5.464 2.562 151 HD23 LEU 19 2HD2 LEU 19 -4.781 5.294 4.108 152 H LEU 20 H LEU 20 -7.594 0.589 7.366 153 HA LEU 20 HA LEU 20 -5.124 0.860 8.731 154 HB2 LEU 20 1HB LEU 20 -7.854 0.593 9.398 155 HB3 LEU 20 2HB LEU 20 -7.094 -0.804 10.147 156 HG LEU 20 HG LEU 20 -6.052 2.054 10.431 157 HD11 LEU 20 1HD1 LEU 20 -7.112 1.999 12.671 158 HD12 LEU 20 2HD1 LEU 20 -7.793 0.407 12.292 159 HD13 LEU 20 3HD1 LEU 20 -8.318 1.813 11.363 160 HD21 LEU 20 3HD2 LEU 20 -4.826 1.147 12.384 161 HD22 LEU 20 1HD2 LEU 20 -4.333 0.304 10.903 162 HD23 LEU 20 2HD2 LEU 20 -5.468 -0.477 12.030 163 H GLU 21 H GLU 21 -7.013 -2.187 8.303 164 HA GLU 21 HA GLU 21 -4.710 -3.757 9.035 165 HB2 GLU 21 1HB GLU 21 -6.183 -5.723 8.310 166 HB3 GLU 21 2HB GLU 21 -6.563 -4.780 9.730 167 HG2 GLU 21 1HG GLU 21 -8.306 -3.571 8.594 168 HG3 GLU 21 2HG GLU 21 -7.953 -4.372 7.065 169 H LEU 22 H LEU 22 -5.803 -2.491 6.054 170 HA LEU 22 HA LEU 22 -4.329 -3.979 4.127 171 HB2 LEU 22 1HB LEU 22 -5.483 -1.284 4.437 172 HB3 LEU 22 2HB LEU 22 -4.003 -1.188 3.532 173 HG LEU 22 HG LEU 22 -6.088 -3.215 2.779 174 HD11 LEU 22 1HD1 LEU 22 -6.092 -0.238 2.284 175 HD12 LEU 22 2HD1 LEU 22 -7.396 -1.276 2.866 176 HD13 LEU 22 3HD1 LEU 22 -6.945 -1.383 1.192 177 HD21 LEU 22 3HD2 LEU 22 -4.103 -1.708 1.058 178 HD22 LEU 22 1HD2 LEU 22 -5.257 -2.952 0.518 179 HD23 LEU 22 2HD2 LEU 22 -3.936 -3.393 1.609 180 H GLU 23 H GLU 23 -3.253 -1.409 6.409 181 HA GLU 23 HA GLU 23 -0.474 -1.583 5.399 182 HB2 GLU 23 1HB GLU 23 -1.697 -0.183 7.812 183 HB3 GLU 23 2HB GLU 23 0.019 -0.252 7.455 184 HG2 GLU 23 1HG GLU 23 -0.929 0.680 5.063 185 HG3 GLU 23 2HG GLU 23 -2.070 1.423 6.210 186 H LYS 24 H LYS 24 -2.450 -3.134 7.899 187 HA LYS 24 HA LYS 24 -0.262 -3.951 9.582 188 HB2 LYS 24 1HB LYS 24 -2.624 -3.964 10.290 189 HB3 LYS 24 2HB LYS 24 -2.986 -5.261 9.142 190 HG2 LYS 24 1HG LYS 24 -1.645 -6.841 10.295 191 HG3 LYS 24 2HG LYS 24 -0.941 -5.592 11.340 192 HD2 LYS 24 1HD LYS 24 -3.177 -5.091 12.280 193 HD3 LYS 24 2HD LYS 24 -3.899 -6.366 11.297 194 HE2 LYS 24 1HE LYS 24 -1.650 -6.850 13.302 195 HE3 LYS 24 2HE LYS 24 -3.360 -6.870 13.763 196 HZ1 LYS 24 3HZ LYS 24 -2.631 -9.049 13.344 197 HZ2 LYS 24 1HZ LYS 24 -2.115 -8.706 11.807 198 HZ3 LYS 24 2HZ LYS 24 -3.719 -8.657 12.190 199 H GLU 25 H GLU 25 -2.024 -5.642 6.969 200 HA GLU 25 HA GLU 25 -0.169 -7.816 6.845 201 HB2 GLU 25 1HB GLU 25 -2.561 -6.816 5.381 202 HB3 GLU 25 2HB GLU 25 -1.425 -7.662 4.344 203 HG2 GLU 25 1HG GLU 25 -3.181 -9.095 5.420 204 HG3 GLU 25 2HG GLU 25 -1.485 -9.610 5.571 205 H PHE 26 H PHE 26 -0.513 -4.951 4.718 206 HA PHE 26 HA PHE 26 1.642 -5.882 3.058 207 HB2 PHE 26 1HB PHE 26 -0.328 -4.297 2.495 208 HB3 PHE 26 2HB PHE 26 0.701 -3.011 3.124 209 HD1 PHE 26 2HD PHE 26 0.492 -5.789 0.627 210 HD2 PHE 26 1HD PHE 26 2.398 -2.075 1.666 211 HE1 PHE 26 2HE PHE 26 1.417 -5.625 -1.671 212 HE2 PHE 26 1HE PHE 26 3.312 -1.894 -0.626 213 HZ PHE 26 HZ PHE 26 2.803 -3.667 -2.322 214 H HIS 27 H HIS 27 1.826 -4.653 6.107 215 HA HIS 27 HA HIS 27 4.407 -3.247 5.874 216 HB2 HIS 27 1HB HIS 27 3.023 -2.648 7.784 217 HB3 HIS 27 2HB HIS 27 2.863 -4.335 8.259 218 HD1 HIS 27 1HD HIS 27 5.821 -1.817 7.825 219 HD2 HIS 27 2HD HIS 27 4.503 -5.173 10.022 220 HE1 HIS 27 1HE HIS 27 7.653 -2.313 9.544 221 H CYS 28 H CYS 28 3.171 -6.462 6.941 222 HA CYS 28 HA CYS 28 5.790 -7.541 7.518 223 HB2 CYS 28 1HB CYS 28 2.994 -8.775 7.244 224 HB3 CYS 28 2HB CYS 28 4.419 -9.635 7.830 225 HG CYS 28 HG CYS 28 2.881 -8.962 9.882 226 H LYS 29 H LYS 29 3.282 -8.106 5.022 227 HA LYS 29 HA LYS 29 5.315 -9.539 3.401 228 HB2 LYS 29 1HB LYS 29 3.547 -11.071 2.684 229 HB3 LYS 29 2HB LYS 29 4.007 -11.125 4.374 230 HG2 LYS 29 1HG LYS 29 1.820 -11.333 4.720 231 HG3 LYS 29 2HG LYS 29 1.873 -9.596 4.767 232 HD2 LYS 29 1HD LYS 29 -0.035 -10.320 3.486 233 HD3 LYS 29 2HD LYS 29 1.095 -9.552 2.390 234 HE2 LYS 29 1HE LYS 29 0.169 -11.574 1.398 235 HE3 LYS 29 2HE LYS 29 1.907 -11.746 1.614 236 HZ1 LYS 29 3HZ LYS 29 0.831 -13.739 2.334 237 HZ2 LYS 29 1HZ LYS 29 -0.210 -12.907 3.325 238 HZ3 LYS 29 2HZ LYS 29 1.378 -13.012 3.695 239 H LYS 30 H LYS 30 5.908 -8.303 1.909 240 HA LYS 30 HA LYS 30 4.368 -5.996 1.119 241 HB2 LYS 30 1HB LYS 30 6.933 -6.379 1.652 242 HB3 LYS 30 2HB LYS 30 7.069 -6.778 -0.051 243 HG2 LYS 30 1HG LYS 30 6.027 -4.183 1.172 244 HG3 LYS 30 2HG LYS 30 7.646 -4.462 0.526 245 HD2 LYS 30 1HD LYS 30 6.505 -4.923 -1.741 246 HD3 LYS 30 2HD LYS 30 5.040 -4.266 -0.997 247 HE2 LYS 30 1HE LYS 30 5.975 -2.377 -2.013 248 HE3 LYS 30 2HE LYS 30 6.583 -2.248 -0.354 249 HZ1 LYS 30 3HZ LYS 30 8.461 -1.954 -1.734 250 HZ2 LYS 30 1HZ LYS 30 8.042 -3.193 -2.747 251 HZ3 LYS 30 2HZ LYS 30 8.600 -3.500 -1.249 252 H TYR 31 H TYR 31 3.007 -8.305 0.251 253 HA TYR 31 HA TYR 31 2.524 -7.857 -2.491 254 HB2 TYR 31 1HB TYR 31 3.152 -10.202 -3.248 255 HB3 TYR 31 2HB TYR 31 4.493 -9.094 -3.055 256 HD1 TYR 31 2HD TYR 31 2.770 -12.040 -1.587 257 HD2 TYR 31 1HD TYR 31 6.229 -9.458 -1.335 258 HE1 TYR 31 2HE TYR 31 3.838 -13.624 -0.046 259 HE2 TYR 31 1HE TYR 31 7.337 -11.079 0.132 260 HH TYR 31 HH TYR 31 7.231 -13.415 0.892 261 H LEU 32 H LEU 32 0.472 -8.855 -2.909 262 HA LEU 32 HA LEU 32 -0.686 -10.474 -0.707 263 HB2 LEU 32 1HB LEU 32 -2.196 -8.370 -2.292 264 HB3 LEU 32 2HB LEU 32 -2.873 -9.557 -1.205 265 HG LEU 32 HG LEU 32 -1.397 -7.028 -0.583 266 HD11 LEU 32 1HD1 LEU 32 -3.778 -8.358 0.777 267 HD12 LEU 32 2HD1 LEU 32 -3.930 -7.313 -0.647 268 HD13 LEU 32 3HD1 LEU 32 -3.279 -6.664 0.869 269 HD21 LEU 32 3HD2 LEU 32 -1.532 -9.358 1.371 270 HD22 LEU 32 1HD2 LEU 32 -1.276 -7.683 1.840 271 HD23 LEU 32 2HD2 LEU 32 -0.084 -8.475 0.812 272 H SER 33 H SER 33 -0.446 -12.409 -1.670 273 HA SER 33 HA SER 33 -0.765 -13.011 -4.436 274 HB2 SER 33 1HB SER 33 -1.034 -14.747 -1.960 275 HB3 SER 33 2HB SER 33 -0.643 -15.318 -3.601 276 HG SER 33 HG SER 33 1.134 -15.013 -2.067 277 H LEU 34 H LEU 34 -2.449 -14.894 -4.965 278 HA LEU 34 HA LEU 34 -4.794 -13.797 -5.491 279 HB2 LEU 34 1HB LEU 34 -3.692 -16.338 -5.831 280 HB3 LEU 34 2HB LEU 34 -5.184 -16.689 -4.982 281 HG LEU 34 HG LEU 34 -5.405 -16.875 -7.378 282 HD11 LEU 34 1HD1 LEU 34 -7.396 -15.442 -7.766 283 HD12 LEU 34 2HD1 LEU 34 -7.066 -14.607 -6.239 284 HD13 LEU 34 3HD1 LEU 34 -7.428 -16.338 -6.248 285 HD21 LEU 34 3HD2 LEU 34 -3.713 -15.177 -8.006 286 HD22 LEU 34 1HD2 LEU 34 -4.882 -13.887 -7.623 287 HD23 LEU 34 2HD2 LEU 34 -5.213 -15.055 -8.917 288 H THR 35 H THR 35 -4.442 -15.925 -2.639 289 HA THR 35 HA THR 35 -7.014 -15.726 -1.570 290 HB THR 35 HB THR 35 -4.403 -15.919 -0.021 291 HG1 THR 35 1HG THR 35 -5.871 -17.973 -1.334 292 HG21 THR 35 3HG2 THR 35 -5.675 -17.423 1.460 293 HG22 THR 35 1HG2 THR 35 -7.154 -17.126 0.520 294 HG23 THR 35 2HG2 THR 35 -6.384 -15.807 1.427 295 H GLU 36 H GLU 36 -4.160 -13.659 -1.058 296 HA GLU 36 HA GLU 36 -5.159 -12.323 1.283 297 HB2 GLU 36 1HB GLU 36 -2.804 -11.923 -0.592 298 HB3 GLU 36 2HB GLU 36 -2.956 -11.079 0.917 299 HG2 GLU 36 1HG GLU 36 -2.982 -14.136 0.839 300 HG3 GLU 36 2HG GLU 36 -1.487 -13.257 0.642 301 H ARG 37 H ARG 37 -4.757 -11.495 -2.208 302 HA ARG 37 HA ARG 37 -5.543 -8.781 -1.760 303 HB2 ARG 37 1HB ARG 37 -4.313 -9.346 -3.774 304 HB3 ARG 37 2HB ARG 37 -5.638 -10.364 -4.346 305 HG2 ARG 37 1HG ARG 37 -7.113 -8.426 -4.531 306 HG3 ARG 37 2HG ARG 37 -5.887 -7.379 -3.804 307 HD2 ARG 37 1HD ARG 37 -5.841 -6.896 -6.092 308 HD3 ARG 37 2HD ARG 37 -4.463 -7.977 -5.863 309 HE ARG 37 HE ARG 37 -7.147 -8.996 -6.720 310 HH11 ARG 37 1HH1 ARG 37 -3.678 -8.631 -7.511 311 HH12 ARG 37 2HH1 ARG 37 -3.775 -9.631 -8.915 312 HH21 ARG 37 1HH2 ARG 37 -7.240 -10.284 -8.479 313 HH22 ARG 37 2HH2 ARG 37 -5.857 -10.738 -9.423 314 H SER 38 H SER 38 -7.557 -11.668 -1.857 315 HA SER 38 HA SER 38 -9.945 -9.987 -2.275 316 HB2 SER 38 1HB SER 38 -9.725 -12.297 -3.236 317 HB3 SER 38 2HB SER 38 -9.867 -12.924 -1.584 318 HG SER 38 HG SER 38 -11.870 -11.992 -1.427 319 H GLN 39 H GLN 39 -7.861 -10.601 0.447 320 HA GLN 39 HA GLN 39 -9.908 -11.322 2.334 321 HB2 GLN 39 1HB GLN 39 -7.020 -10.412 2.618 322 HB3 GLN 39 2HB GLN 39 -8.092 -10.620 4.000 323 HG2 GLN 39 1HG GLN 39 -8.571 -12.933 3.266 324 HG3 GLN 39 2HG GLN 39 -7.365 -12.768 1.989 325 HE21 GLN 39 1HE2 GLN 39 -7.507 -11.956 5.510 326 HE22 GLN 39 2HE2 GLN 39 -5.975 -12.680 5.910 327 H ILE 40 H ILE 40 -7.911 -8.326 2.162 328 HA ILE 40 HA ILE 40 -9.616 -6.819 3.837 329 HB ILE 40 HB ILE 40 -7.817 -5.849 1.595 330 HG12 ILE 40 1HG1 ILE 40 -6.354 -5.110 3.655 331 HG13 ILE 40 2HG1 ILE 40 -7.239 -6.295 4.545 332 HG21 ILE 40 1HG2 ILE 40 -8.540 -4.152 3.982 333 HG22 ILE 40 2HG2 ILE 40 -8.057 -3.666 2.350 334 HG23 ILE 40 3HG2 ILE 40 -9.671 -4.221 2.616 335 HD11 ILE 40 3HD1 ILE 40 -5.495 -6.746 2.077 336 HD12 ILE 40 1HD1 ILE 40 -5.054 -7.111 3.750 337 HD13 ILE 40 2HD1 ILE 40 -6.316 -8.057 2.968 338 H ALA 41 H ALA 41 -9.491 -7.196 0.312 339 HA ALA 41 HA ALA 41 -11.543 -5.406 -0.402 340 HB1 ALA 41 1HB ALA 41 -9.812 -6.375 -1.921 341 HB2 ALA 41 2HB ALA 41 -10.737 -7.897 -1.933 342 HB3 ALA 41 3HB ALA 41 -11.457 -6.409 -2.578 343 H HIS 42 H HIS 42 -12.042 -8.404 1.259 344 HA HIS 42 HA HIS 42 -14.927 -8.008 0.787 345 HB2 HIS 42 1HB HIS 42 -13.856 -9.968 -0.527 346 HB3 HIS 42 2HB HIS 42 -13.703 -10.765 1.032 347 HD1 HIS 42 1HD HIS 42 -15.422 -12.435 -0.655 348 HD2 HIS 42 2HD HIS 42 -16.960 -8.942 1.156 349 HE1 HIS 42 1HE HIS 42 -17.929 -12.685 -0.619 350 H ALA 43 H ALA 43 -12.742 -7.409 2.987 351 HA ALA 43 HA ALA 43 -14.150 -8.617 5.295 352 HB1 ALA 43 1HB ALA 43 -11.694 -8.804 5.357 353 HB2 ALA 43 2HB ALA 43 -11.538 -7.057 5.118 354 HB3 ALA 43 3HB ALA 43 -12.269 -7.693 6.609 355 H LEU 44 H LEU 44 -13.122 -5.450 3.817 356 HA LEU 44 HA LEU 44 -14.680 -4.164 5.990 357 HB2 LEU 44 1HB LEU 44 -12.611 -3.029 4.123 358 HB3 LEU 44 2HB LEU 44 -13.485 -2.118 5.360 359 HG LEU 44 HG LEU 44 -12.377 -4.509 6.587 360 HD11 LEU 44 1HD1 LEU 44 -10.806 -4.487 4.722 361 HD12 LEU 44 2HD1 LEU 44 -10.018 -4.154 6.257 362 HD13 LEU 44 3HD1 LEU 44 -10.339 -2.815 5.110 363 HD21 LEU 44 3HD2 LEU 44 -12.958 -2.529 7.838 364 HD22 LEU 44 1HD2 LEU 44 -11.730 -1.585 6.987 365 HD23 LEU 44 2HD2 LEU 44 -11.233 -2.936 8.044 366 H LYS 45 H LYS 45 -14.134 -2.765 2.797 367 HA LYS 45 HA LYS 45 -16.927 -2.604 2.048 368 HB2 LYS 45 1HB LYS 45 -15.388 -0.223 3.213 369 HB3 LYS 45 2HB LYS 45 -16.820 -0.032 2.194 370 HG2 LYS 45 1HG LYS 45 -18.089 -0.210 3.981 371 HG3 LYS 45 2HG LYS 45 -17.688 -1.886 4.017 372 HD2 LYS 45 1HD LYS 45 -17.257 -1.317 6.175 373 HD3 LYS 45 2HD LYS 45 -15.623 -1.123 5.533 374 HE2 LYS 45 1HE LYS 45 -15.899 1.290 5.385 375 HE3 LYS 45 2HE LYS 45 -17.646 1.156 5.630 376 HZ1 LYS 45 3HZ LYS 45 -17.214 0.344 7.866 377 HZ2 LYS 45 1HZ LYS 45 -16.607 1.847 7.663 378 HZ3 LYS 45 2HZ LYS 45 -15.596 0.542 7.657 379 H LEU 46 H LEU 46 -13.866 -2.944 0.942 380 HA LEU 46 HA LEU 46 -13.699 -0.673 -0.916 381 HB2 LEU 46 1HB LEU 46 -11.824 -3.045 -0.464 382 HB3 LEU 46 2HB LEU 46 -11.530 -1.693 -1.530 383 HG LEU 46 HG LEU 46 -11.579 -0.120 0.472 384 HD11 LEU 46 1HD1 LEU 46 -12.616 -1.545 2.186 385 HD12 LEU 46 2HD1 LEU 46 -10.925 -1.336 2.642 386 HD13 LEU 46 3HD1 LEU 46 -11.447 -2.840 1.874 387 HD21 LEU 46 3HD2 LEU 46 -9.307 -0.560 1.096 388 HD22 LEU 46 1HD2 LEU 46 -9.462 -0.939 -0.615 389 HD23 LEU 46 2HD2 LEU 46 -9.430 -2.246 0.592 390 H SER 47 H SER 47 -13.581 -0.869 -3.150 391 HA SER 47 HA SER 47 -14.836 -3.205 -4.444 392 HB2 SER 47 1HB SER 47 -14.473 -0.358 -5.055 393 HB3 SER 47 2HB SER 47 -14.154 -1.419 -6.433 394 HG SER 47 HG SER 47 -16.494 -0.707 -5.369 395 H GLU 48 H GLU 48 -13.634 -4.789 -5.405 396 HA GLU 48 HA GLU 48 -10.894 -5.127 -5.278 397 HB2 GLU 48 1HB GLU 48 -13.016 -6.161 -7.145 398 HB3 GLU 48 2HB GLU 48 -11.346 -6.574 -7.458 399 HG2 GLU 48 1HG GLU 48 -12.036 -7.057 -4.647 400 HG3 GLU 48 2HG GLU 48 -13.186 -7.850 -5.715 401 H VAL 49 H VAL 49 -12.663 -3.585 -7.986 402 HA VAL 49 HA VAL 49 -10.631 -3.047 -9.801 403 HB VAL 49 HB VAL 49 -12.974 -1.293 -8.939 404 HG11 VAL 49 1HG1 VAL 49 -11.425 0.123 -10.186 405 HG12 VAL 49 2HG1 VAL 49 -11.262 -1.109 -11.450 406 HG13 VAL 49 3HG1 VAL 49 -12.807 -0.270 -11.209 407 HG21 VAL 49 3HG2 VAL 49 -14.055 -2.259 -10.995 408 HG22 VAL 49 1HG2 VAL 49 -12.682 -3.372 -11.147 409 HG23 VAL 49 2HG2 VAL 49 -13.748 -3.450 -9.734 410 H GLN 50 H GLN 50 -11.525 -1.132 -6.952 411 HA GLN 50 HA GLN 50 -9.630 0.966 -7.326 412 HB2 GLN 50 1HB GLN 50 -11.939 0.433 -5.796 413 HB3 GLN 50 2HB GLN 50 -10.686 0.410 -4.599 414 HG2 GLN 50 1HG GLN 50 -11.647 2.678 -6.343 415 HG3 GLN 50 2HG GLN 50 -11.545 2.616 -4.594 416 HE21 GLN 50 1HE2 GLN 50 -9.337 2.758 -3.651 417 HE22 GLN 50 2HE2 GLN 50 -8.019 3.419 -4.589 418 H VAL 51 H VAL 51 -9.641 -2.100 -5.559 419 HA VAL 51 HA VAL 51 -7.373 -1.578 -3.852 420 HB VAL 51 HB VAL 51 -8.812 -4.131 -4.672 421 HG11 VAL 51 1HG1 VAL 51 -7.718 -5.174 -2.653 422 HG12 VAL 51 2HG1 VAL 51 -6.584 -4.809 -3.946 423 HG13 VAL 51 3HG1 VAL 51 -6.677 -3.757 -2.521 424 HG21 VAL 51 3HG2 VAL 51 -8.931 -2.498 -2.109 425 HG22 VAL 51 1HG2 VAL 51 -10.176 -2.538 -3.346 426 HG23 VAL 51 2HG2 VAL 51 -9.828 -4.002 -2.437 427 H LYS 52 H LYS 52 -7.780 -3.360 -6.953 428 HA LYS 52 HA LYS 52 -5.180 -4.303 -7.344 429 HB2 LYS 52 1HB LYS 52 -7.251 -3.083 -9.205 430 HB3 LYS 52 2HB LYS 52 -5.777 -3.825 -9.794 431 HG2 LYS 52 1HG LYS 52 -6.404 -5.978 -9.194 432 HG3 LYS 52 2HG LYS 52 -7.526 -5.447 -7.950 433 HD2 LYS 52 1HD LYS 52 -8.676 -6.371 -9.959 434 HD3 LYS 52 2HD LYS 52 -9.166 -4.750 -9.524 435 HE2 LYS 52 1HE LYS 52 -8.997 -4.960 -11.926 436 HE3 LYS 52 2HE LYS 52 -7.847 -3.764 -11.341 437 HZ1 LYS 52 3HZ LYS 52 -6.106 -5.112 -11.996 438 HZ2 LYS 52 1HZ LYS 52 -7.273 -5.741 -12.997 439 HZ3 LYS 52 2HZ LYS 52 -6.886 -6.508 -11.617 440 H ILE 53 H ILE 53 -6.462 -1.035 -7.809 441 HA ILE 53 HA ILE 53 -4.061 0.014 -9.037 442 HB ILE 53 HB ILE 53 -6.508 1.335 -7.872 443 HG12 ILE 53 1HG1 ILE 53 -5.931 0.853 -10.832 444 HG13 ILE 53 2HG1 ILE 53 -6.772 -0.348 -9.881 445 HG21 ILE 53 1HG2 ILE 53 -4.497 2.489 -9.853 446 HG22 ILE 53 2HG2 ILE 53 -5.940 3.300 -9.206 447 HG23 ILE 53 3HG2 ILE 53 -4.562 2.934 -8.162 448 HD11 ILE 53 3HD1 ILE 53 -7.755 2.443 -10.443 449 HD12 ILE 53 1HD1 ILE 53 -8.401 0.879 -11.011 450 HD13 ILE 53 2HD1 ILE 53 -8.506 1.291 -9.289 451 H TRP 54 H TRP 54 -5.115 -0.403 -5.632 452 HA TRP 54 HA TRP 54 -3.522 1.656 -4.498 453 HB2 TRP 54 1HB TRP 54 -5.206 0.140 -3.330 454 HB3 TRP 54 2HB TRP 54 -3.948 -1.092 -3.329 455 HD1 TRP 54 HD TRP 54 -4.574 2.461 -2.003 456 HE1 TRP 54 1HE TRP 54 -3.453 2.773 0.251 457 HE3 TRP 54 3HE TRP 54 -2.117 -2.024 -1.738 458 HZ2 TRP 54 2HZ TRP 54 -1.843 1.200 2.040 459 HZ3 TRP 54 3HZ TRP 54 -0.880 -2.636 0.313 460 HH2 TRP 54 HH TRP 54 -0.762 -1.070 2.242 461 H PHE 55 H PHE 55 -2.791 -1.616 -5.647 462 HA PHE 55 HA PHE 55 -0.012 -1.531 -4.847 463 HB2 PHE 55 1HB PHE 55 -1.226 -3.193 -7.065 464 HB3 PHE 55 2HB PHE 55 0.299 -3.477 -6.240 465 HD1 PHE 55 2HD PHE 55 0.068 -3.592 -3.512 466 HD2 PHE 55 1HD PHE 55 -3.105 -4.422 -6.324 467 HE1 PHE 55 2HE PHE 55 -1.151 -4.870 -1.776 468 HE2 PHE 55 1HE PHE 55 -4.310 -5.689 -4.570 469 HZ PHE 55 HZ PHE 55 -3.327 -5.940 -2.310 470 H GLN 56 H GLN 56 -1.691 -0.381 -7.900 471 HA GLN 56 HA GLN 56 0.806 0.295 -9.057 472 HB2 GLN 56 1HB GLN 56 -0.140 0.746 -10.918 473 HB3 GLN 56 2HB GLN 56 -1.270 -0.365 -10.174 474 HG2 GLN 56 1HG GLN 56 -2.601 1.674 -9.491 475 HG3 GLN 56 2HG GLN 56 -1.534 2.639 -10.472 476 HE21 GLN 56 1HE2 GLN 56 -2.091 -0.573 -11.799 477 HE22 GLN 56 2HE2 GLN 56 -3.067 0.042 -13.063 478 H ASN 57 H ASN 57 -1.003 1.870 -6.603 479 HA ASN 57 HA ASN 57 0.579 4.346 -7.072 480 HB2 ASN 57 1HB ASN 57 -1.049 5.630 -5.973 481 HB3 ASN 57 2HB ASN 57 -1.781 4.675 -7.258 482 HD21 ASN 57 1HD2 ASN 57 -3.799 4.187 -6.688 483 HD22 ASN 57 2HD2 ASN 57 -4.347 3.572 -5.169 484 H ARG 58 H ARG 58 0.712 1.727 -5.055 485 HA ARG 58 HA ARG 58 1.894 3.261 -2.823 486 HB2 ARG 58 1HB ARG 58 1.096 0.367 -3.201 487 HB3 ARG 58 2HB ARG 58 2.048 0.855 -1.807 488 HG2 ARG 58 1HG ARG 58 -0.629 2.102 -2.496 489 HG3 ARG 58 2HG ARG 58 -0.380 0.731 -1.423 490 HD2 ARG 58 1HD ARG 58 0.936 3.425 -0.918 491 HD3 ARG 58 2HD ARG 58 -0.688 3.015 -0.374 492 HE ARG 58 HE ARG 58 1.034 0.958 0.478 493 HH11 ARG 58 1HH1 ARG 58 0.083 4.308 1.254 494 HH12 ARG 58 2HH1 ARG 58 0.435 4.149 2.944 495 HH21 ARG 58 1HH2 ARG 58 1.594 0.820 2.762 496 HH22 ARG 58 2HH2 ARG 58 1.090 2.084 3.823 497 H ARG 59 H ARG 59 3.435 2.412 -5.634 498 HA ARG 59 HA ARG 59 5.841 1.423 -4.116 499 HB2 ARG 59 1HB ARG 59 5.099 0.975 -7.009 500 HB3 ARG 59 2HB ARG 59 6.685 0.603 -6.299 501 HG2 ARG 59 1HG ARG 59 5.603 -0.917 -4.648 502 HG3 ARG 59 2HG ARG 59 4.033 -0.558 -5.368 503 HD2 ARG 59 1HD ARG 59 4.552 -2.596 -6.292 504 HD3 ARG 59 2HD ARG 59 4.997 -1.472 -7.580 505 HE ARG 59 HE ARG 59 7.385 -1.841 -6.289 506 HH11 ARG 59 1HH1 ARG 59 4.990 -4.110 -7.757 507 HH12 ARG 59 2HH1 ARG 59 6.230 -5.251 -8.163 508 HH21 ARG 59 1HH2 ARG 59 8.934 -3.411 -6.930 509 HH22 ARG 59 2HH2 ARG 59 8.420 -4.926 -7.604 510 H ALA 60 H ALA 60 4.702 4.318 -5.435 511 HA ALA 60 HA ALA 60 7.311 5.124 -6.522 512 HB1 ALA 60 1HB ALA 60 5.196 5.674 -7.694 513 HB2 ALA 60 2HB ALA 60 4.704 6.676 -6.307 514 HB3 ALA 60 3HB ALA 60 6.137 7.109 -7.264 515 H LYS 61 H LYS 61 5.829 5.397 -3.377 516 HA LYS 61 HA LYS 61 6.336 8.153 -2.812 517 HB2 LYS 61 1HB LYS 61 4.770 6.861 -1.506 518 HB3 LYS 61 2HB LYS 61 5.998 5.692 -1.070 519 HG2 LYS 61 1HG LYS 61 6.872 8.303 -0.118 520 HG3 LYS 61 2HG LYS 61 5.192 8.055 0.345 521 HD2 LYS 61 1HD LYS 61 5.731 5.919 1.405 522 HD3 LYS 61 2HD LYS 61 7.412 6.056 0.875 523 HE2 LYS 61 1HE LYS 61 7.988 7.568 2.488 524 HE3 LYS 61 2HE LYS 61 6.419 8.375 2.442 525 HZ1 LYS 61 3HZ LYS 61 6.799 5.738 3.747 526 HZ2 LYS 61 1HZ LYS 61 5.472 6.671 3.763 527 HZ3 LYS 61 2HZ LYS 61 6.803 7.186 4.546 528 H TRP 62 H TRP 62 8.215 5.242 -1.843 529 HA TRP 62 HA TRP 62 10.338 6.658 -0.631 530 HB2 TRP 62 1HB TRP 62 10.614 3.988 -2.049 531 HB3 TRP 62 2HB TRP 62 11.511 4.583 -0.658 532 HD1 TRP 62 HD TRP 62 9.835 4.976 1.623 533 HE1 TRP 62 1HE TRP 62 7.806 3.620 2.446 534 HE3 TRP 62 3HE TRP 62 8.975 2.167 -2.562 535 HZ2 TRP 62 2HZ TRP 62 6.011 1.668 1.405 536 HZ3 TRP 62 3HZ TRP 62 7.146 0.493 -2.593 537 HH2 TRP 62 HH TRP 62 5.603 0.282 -0.656 538 H LYS 63 H LYS 63 9.950 5.522 -4.028 539 HA LYS 63 HA LYS 63 12.421 6.346 -5.052 540 HB2 LYS 63 1HB LYS 63 9.646 5.828 -6.193 541 HB3 LYS 63 2HB LYS 63 10.897 6.560 -7.157 542 HG2 LYS 63 1HG LYS 63 11.392 4.439 -7.718 543 HG3 LYS 63 2HG LYS 63 12.358 4.505 -6.253 544 HD2 LYS 63 1HD LYS 63 10.238 3.528 -5.063 545 HD3 LYS 63 2HD LYS 63 9.680 3.194 -6.727 546 HE2 LYS 63 1HE LYS 63 12.008 2.125 -7.080 547 HE3 LYS 63 2HE LYS 63 12.184 2.173 -5.320 548 HZ1 LYS 63 3HZ LYS 63 10.057 0.798 -5.308 549 HZ2 LYS 63 1HZ LYS 63 11.387 0.078 -5.933 550 HZ3 LYS 63 2HZ LYS 63 10.286 0.654 -6.958 551 H ARG 64 H ARG 64 9.296 8.186 -4.915 552 HA ARG 64 HA ARG 64 10.053 10.315 -6.376 553 HB2 ARG 64 1HB ARG 64 8.068 9.875 -4.256 554 HB3 ARG 64 2HB ARG 64 8.544 11.562 -4.371 555 HG2 ARG 64 1HG ARG 64 7.698 9.894 -6.759 556 HG3 ARG 64 2HG ARG 64 6.567 10.868 -5.829 557 HD2 ARG 64 1HD ARG 64 9.049 12.267 -6.810 558 HD3 ARG 64 2HD ARG 64 7.840 11.817 -8.028 559 HE ARG 64 HE ARG 64 6.421 13.044 -5.996 560 HH11 ARG 64 1HH1 ARG 64 9.183 14.062 -8.011 561 HH12 ARG 64 2HH1 ARG 64 8.584 15.656 -8.284 562 HH21 ARG 64 1HH2 ARG 64 5.570 15.183 -6.416 563 HH22 ARG 64 2HH2 ARG 64 6.498 16.286 -7.358 564 H ILE 65 H ILE 65 10.618 10.281 -2.824 565 HA ILE 65 HA ILE 65 12.203 12.637 -2.864 566 HB ILE 65 HB ILE 65 11.887 10.366 -0.853 567 HG12 ILE 65 1HG1 ILE 65 10.561 12.374 0.273 568 HG13 ILE 65 2HG1 ILE 65 10.387 12.956 -1.369 569 HG21 ILE 65 1HG2 ILE 65 13.960 11.634 -0.374 570 HG22 ILE 65 2HG2 ILE 65 13.032 13.148 -0.411 571 HG23 ILE 65 3HG2 ILE 65 12.719 11.923 0.835 572 HD11 ILE 65 3HD1 ILE 65 9.489 10.214 -0.367 573 HD12 ILE 65 1HD1 ILE 65 8.456 11.652 -0.439 574 HD13 ILE 65 2HD1 ILE 65 9.081 10.963 -1.936 575 H LYS 66 H LYS 66 13.056 9.133 -3.157 576 HA LYS 66 HA LYS 66 15.865 9.665 -2.600 577 HB2 LYS 66 1HB LYS 66 14.640 7.623 -1.886 578 HB3 LYS 66 2HB LYS 66 14.519 7.119 -3.575 579 HG2 LYS 66 1HG LYS 66 16.825 6.713 -3.767 580 HG3 LYS 66 2HG LYS 66 17.238 7.791 -2.418 581 HD2 LYS 66 1HD LYS 66 16.496 6.239 -0.775 582 HD3 LYS 66 2HD LYS 66 15.671 5.241 -1.979 583 HE2 LYS 66 1HE LYS 66 17.736 4.161 -1.229 584 HE3 LYS 66 2HE LYS 66 17.771 4.530 -2.953 585 HZ1 LYS 66 3HZ LYS 66 19.168 6.100 -0.869 586 HZ2 LYS 66 1HZ LYS 66 19.188 6.418 -2.484 587 HZ3 LYS 66 2HZ LYS 66 19.833 5.027 -1.932 588 H ALA 67 H ALA 67 13.928 9.719 -5.479 589 HA ALA 67 HA ALA 67 16.220 9.572 -7.321 590 HB1 ALA 67 1HB ALA 67 13.207 9.681 -7.774 591 HB2 ALA 67 2HB ALA 67 14.431 9.425 -9.020 592 HB3 ALA 67 3HB ALA 67 14.182 8.196 -7.769 593 H GLY 68 H GLY 68 15.864 11.224 -9.128 594 HA2 GLY 68 1HA GLY 68 15.106 13.932 -8.127 595 HA3 GLY 68 2HA GLY 68 16.748 13.626 -8.712 596 H ASN 69 H ASN 69 13.337 13.887 -9.631 597 HA ASN 69 HA ASN 69 13.900 13.551 -12.504 598 HB2 ASN 69 1HB ASN 69 11.585 13.323 -11.221 599 HB3 ASN 69 2HB ASN 69 11.583 15.101 -11.352 600 HD21 ASN 69 1HD2 ASN 69 11.117 16.036 -13.432 601 HD22 ASN 69 2HD2 ASN 69 10.777 15.046 -14.837 602 H VAL 70 H VAL 70 13.760 15.468 -14.006 603 HA VAL 70 HA VAL 70 15.020 17.825 -13.062 604 HB VAL 70 HB VAL 70 15.185 17.239 -15.378 605 HG11 VAL 70 1HG1 VAL 70 12.159 17.536 -15.622 606 HG12 VAL 70 2HG1 VAL 70 13.286 17.339 -16.965 607 HG13 VAL 70 3HG1 VAL 70 13.101 16.026 -15.800 608 HG21 VAL 70 3HG2 VAL 70 15.243 19.662 -14.897 609 HG22 VAL 70 1HG2 VAL 70 14.548 19.331 -16.494 610 HG23 VAL 70 2HG2 VAL 70 13.476 19.762 -15.194 611 H SER 71 H SER 71 14.240 19.803 -12.475 612 HA SER 71 HA SER 71 11.531 20.522 -12.656 613 HB2 SER 71 1HB SER 71 11.360 21.126 -10.148 614 HB3 SER 71 2HB SER 71 11.066 19.451 -10.611 615 HG SER 71 HG SER 71 13.126 20.595 -9.148 Start of MODEL 17 1 H1 SER 1 H SER 1 -17.801 -19.233 -9.475 2 HA SER 1 HA SER 1 -19.740 -17.951 -10.294 3 HB2 SER 1 1HB SER 1 -20.017 -15.672 -9.130 4 HB3 SER 1 2HB SER 1 -20.611 -17.098 -8.258 5 HG SER 1 HG SER 1 -19.242 -15.494 -7.086 6 H ALA 2 H ALA 2 -19.437 -15.914 -11.591 7 HA ALA 2 HA ALA 2 -16.579 -15.241 -12.080 8 HB1 ALA 2 1HB ALA 2 -17.093 -15.230 -14.462 9 HB2 ALA 2 2HB ALA 2 -17.336 -16.846 -13.766 10 HB3 ALA 2 3HB ALA 2 -18.736 -15.819 -14.143 11 HA PRO 3 HA PRO 3 -18.903 -11.288 -11.600 12 HB2 PRO 3 1HB PRO 3 -16.968 -9.926 -10.214 13 HB3 PRO 3 2HB PRO 3 -18.201 -10.949 -9.431 14 HG2 PRO 3 1HG PRO 3 -15.338 -11.657 -10.104 15 HG3 PRO 3 2HG PRO 3 -16.259 -11.986 -8.596 16 HD2 PRO 3 1HD PRO 3 -15.892 -13.845 -10.588 17 HD3 PRO 3 2HD PRO 3 -17.345 -13.819 -9.542 18 H GLY 4 H GLY 4 -18.000 -9.090 -12.390 19 HA2 GLY 4 1HA GLY 4 -15.783 -9.261 -14.256 20 HA3 GLY 4 2HA GLY 4 -17.409 -9.318 -14.990 21 H GLY 5 H GLY 5 -15.354 -7.315 -15.239 22 HA2 GLY 5 1HA GLY 5 -16.070 -4.950 -15.747 23 HA3 GLY 5 2HA GLY 5 -16.535 -4.860 -14.037 24 H LYS 6 H LYS 6 -14.199 -3.661 -15.818 25 HA LYS 6 HA LYS 6 -11.935 -4.344 -14.027 26 HB2 LYS 6 1HB LYS 6 -12.069 -4.680 -17.055 27 HB3 LYS 6 2HB LYS 6 -10.542 -4.512 -16.182 28 HG2 LYS 6 1HG LYS 6 -10.867 -6.520 -14.957 29 HG3 LYS 6 2HG LYS 6 -12.535 -6.713 -15.521 30 HD2 LYS 6 1HD LYS 6 -11.853 -7.149 -17.740 31 HD3 LYS 6 2HD LYS 6 -10.175 -6.717 -17.427 32 HE2 LYS 6 1HE LYS 6 -11.675 -9.110 -16.253 33 HE3 LYS 6 2HE LYS 6 -10.591 -9.169 -17.640 34 HZ1 LYS 6 3HZ LYS 6 -9.431 -9.864 -15.735 35 HZ2 LYS 6 1HZ LYS 6 -9.849 -8.566 -14.849 36 HZ3 LYS 6 2HZ LYS 6 -8.798 -8.418 -16.135 37 H SER 7 H SER 7 -10.601 -2.546 -13.723 38 HA SER 7 HA SER 7 -10.780 -0.299 -15.560 39 HB2 SER 7 1HB SER 7 -11.288 0.084 -12.582 40 HB3 SER 7 2HB SER 7 -11.207 1.336 -13.829 41 HG SER 7 HG SER 7 -13.224 -0.643 -13.462 42 H ARG 8 H ARG 8 -9.007 1.235 -15.072 43 HA ARG 8 HA ARG 8 -6.877 0.278 -13.259 44 HB2 ARG 8 1HB ARG 8 -6.448 -0.340 -15.709 45 HB3 ARG 8 2HB ARG 8 -6.267 1.376 -16.037 46 HG2 ARG 8 1HG ARG 8 -4.608 0.480 -13.749 47 HG3 ARG 8 2HG ARG 8 -4.319 -0.490 -15.178 48 HD2 ARG 8 1HD ARG 8 -3.853 1.584 -16.496 49 HD3 ARG 8 2HD ARG 8 -4.047 2.538 -15.010 50 HE ARG 8 HE ARG 8 -2.158 0.294 -14.890 51 HH11 ARG 8 1HH1 ARG 8 -2.398 3.850 -15.431 52 HH12 ARG 8 2HH1 ARG 8 -0.801 4.105 -14.821 53 HH21 ARG 8 1HH2 ARG 8 0.095 0.788 -14.330 54 HH22 ARG 8 2HH2 ARG 8 0.545 2.475 -14.269 55 H ARG 9 H ARG 9 -8.998 2.381 -13.299 56 HA ARG 9 HA ARG 9 -7.758 4.964 -13.605 57 HB2 ARG 9 1HB ARG 9 -9.902 5.827 -12.737 58 HB3 ARG 9 2HB ARG 9 -9.971 4.817 -14.181 59 HG2 ARG 9 1HG ARG 9 -10.530 2.915 -12.296 60 HG3 ARG 9 2HG ARG 9 -11.093 4.337 -11.425 61 HD2 ARG 9 1HD ARG 9 -11.831 3.712 -14.306 62 HD3 ARG 9 2HD ARG 9 -12.786 3.107 -12.960 63 HE ARG 9 HE ARG 9 -12.611 5.860 -13.959 64 HH11 ARG 9 1HH1 ARG 9 -13.713 3.796 -11.244 65 HH12 ARG 9 2HH1 ARG 9 -15.044 4.847 -10.873 66 HH21 ARG 9 1HH2 ARG 9 -14.168 7.301 -13.273 67 HH22 ARG 9 2HH2 ARG 9 -15.057 7.080 -11.789 68 H ARG 10 H ARG 10 -6.346 5.879 -12.075 69 HA ARG 10 HA ARG 10 -6.478 5.301 -9.242 70 HB2 ARG 10 1HB ARG 10 -5.441 7.726 -10.784 71 HB3 ARG 10 2HB ARG 10 -5.291 7.467 -9.056 72 HG2 ARG 10 1HG ARG 10 -3.907 5.382 -9.584 73 HG3 ARG 10 2HG ARG 10 -3.912 5.946 -11.273 74 HD2 ARG 10 1HD ARG 10 -3.194 8.266 -10.156 75 HD3 ARG 10 2HD ARG 10 -2.715 7.243 -8.809 76 HE ARG 10 HE ARG 10 -1.066 6.209 -10.160 77 HH11 ARG 10 1HH1 ARG 10 -2.809 8.647 -12.165 78 HH12 ARG 10 2HH1 ARG 10 -1.405 9.028 -13.069 79 HH21 ARG 10 1HH2 ARG 10 0.688 6.586 -11.592 80 HH22 ARG 10 2HH2 ARG 10 0.580 7.822 -12.793 81 H ARG 11 H ARG 11 -8.732 5.381 -8.728 82 HA ARG 11 HA ARG 11 -9.245 8.090 -7.748 83 HB2 ARG 11 1HB ARG 11 -11.346 6.560 -9.277 84 HB3 ARG 11 2HB ARG 11 -11.774 7.723 -8.013 85 HG2 ARG 11 1HG ARG 11 -10.390 9.465 -9.208 86 HG3 ARG 11 2HG ARG 11 -10.317 8.361 -10.595 87 HD2 ARG 11 1HD ARG 11 -12.726 8.402 -10.832 88 HD3 ARG 11 2HD ARG 11 -12.908 9.307 -9.315 89 HE ARG 11 HE ARG 11 -11.356 11.008 -10.635 90 HH11 ARG 11 1HH1 ARG 11 -14.524 9.570 -11.427 91 HH12 ARG 11 2HH1 ARG 11 -14.877 10.730 -12.660 92 HH21 ARG 11 1HH2 ARG 11 -11.845 12.533 -12.297 93 HH22 ARG 11 2HH2 ARG 11 -13.259 12.344 -13.273 94 H THR 12 H THR 12 -8.005 6.605 -6.205 95 HA THR 12 HA THR 12 -9.606 4.792 -4.576 96 HB THR 12 HB THR 12 -7.224 6.437 -3.608 97 HG1 THR 12 1HG THR 12 -5.875 4.844 -4.161 98 HG21 THR 12 3HG2 THR 12 -6.897 4.340 -2.198 99 HG22 THR 12 1HG2 THR 12 -8.536 3.883 -2.728 100 HG23 THR 12 2HG2 THR 12 -8.277 5.367 -1.829 101 H ALA 13 H ALA 13 -10.981 5.322 -2.895 102 HA ALA 13 HA ALA 13 -10.684 7.943 -1.590 103 HB1 ALA 13 1HB ALA 13 -12.469 8.339 -3.211 104 HB2 ALA 13 2HB ALA 13 -13.265 6.810 -2.763 105 HB3 ALA 13 3HB ALA 13 -13.188 8.141 -1.595 106 H PHE 14 H PHE 14 -9.488 6.224 -0.184 107 HA PHE 14 HA PHE 14 -11.466 4.633 1.350 108 HB2 PHE 14 1HB PHE 14 -8.457 4.363 1.432 109 HB3 PHE 14 2HB PHE 14 -9.652 3.323 2.184 110 HD1 PHE 14 2HD PHE 14 -11.580 2.755 -0.058 111 HD2 PHE 14 1HD PHE 14 -7.270 2.887 0.064 112 HE1 PHE 14 2HE PHE 14 -11.472 1.193 -1.954 113 HE2 PHE 14 1HE PHE 14 -7.157 1.347 -1.838 114 HZ PHE 14 HZ PHE 14 -9.246 0.396 -2.793 115 H THR 15 H THR 15 -10.976 4.612 3.725 116 HA THR 15 HA THR 15 -10.202 7.306 4.699 117 HB THR 15 HB THR 15 -12.038 7.425 6.080 118 HG1 THR 15 1HG THR 15 -13.231 5.705 6.777 119 HG21 THR 15 3HG2 THR 15 -12.904 7.444 3.702 120 HG22 THR 15 1HG2 THR 15 -14.096 6.900 4.891 121 HG23 THR 15 2HG2 THR 15 -13.264 5.722 3.864 122 H SER 16 H SER 16 -9.829 7.126 7.222 123 HA SER 16 HA SER 16 -7.549 5.470 7.498 124 HB2 SER 16 1HB SER 16 -8.022 7.651 8.651 125 HB3 SER 16 2HB SER 16 -9.156 6.795 9.715 126 HG SER 16 HG SER 16 -6.872 7.122 10.412 127 H GLU 17 H GLU 17 -10.972 4.900 8.269 128 HA GLU 17 HA GLU 17 -10.569 2.622 10.004 129 HB2 GLU 17 1HB GLU 17 -12.711 4.290 9.001 130 HB3 GLU 17 2HB GLU 17 -13.154 2.669 8.617 131 HG2 GLU 17 1HG GLU 17 -12.217 3.458 11.407 132 HG3 GLU 17 2HG GLU 17 -13.869 3.729 10.890 133 H GLN 18 H GLN 18 -10.360 3.050 6.600 134 HA GLN 18 HA GLN 18 -10.923 0.165 5.951 135 HB2 GLN 18 1HB GLN 18 -10.110 2.459 4.082 136 HB3 GLN 18 2HB GLN 18 -10.991 1.027 3.663 137 HG2 GLN 18 1HG GLN 18 -12.806 2.270 5.356 138 HG3 GLN 18 2HG GLN 18 -11.913 3.625 4.768 139 HE21 GLN 18 1HE2 GLN 18 -13.466 0.701 3.595 140 HE22 GLN 18 2HE2 GLN 18 -14.157 1.325 2.100 141 H LEU 19 H LEU 19 -8.433 2.713 5.812 142 HA LEU 19 HA LEU 19 -6.456 1.199 4.457 143 HB2 LEU 19 1HB LEU 19 -6.393 3.675 6.205 144 HB3 LEU 19 2HB LEU 19 -4.930 3.054 5.457 145 HG LEU 19 HG LEU 19 -7.374 3.706 3.774 146 HD11 LEU 19 1HD1 LEU 19 -6.363 5.916 3.340 147 HD12 LEU 19 2HD1 LEU 19 -5.112 5.582 4.563 148 HD13 LEU 19 3HD1 LEU 19 -6.833 5.721 5.033 149 HD21 LEU 19 3HD2 LEU 19 -5.720 3.969 1.981 150 HD22 LEU 19 1HD2 LEU 19 -5.581 2.356 2.703 151 HD23 LEU 19 2HD2 LEU 19 -4.398 3.609 3.118 152 H LEU 20 H LEU 20 -7.509 0.550 7.710 153 HA LEU 20 HA LEU 20 -4.896 0.650 8.958 154 HB2 LEU 20 1HB LEU 20 -7.710 -0.146 9.700 155 HB3 LEU 20 2HB LEU 20 -6.408 -0.846 10.642 156 HG LEU 20 HG LEU 20 -6.447 2.136 10.146 157 HD11 LEU 20 1HD1 LEU 20 -7.697 2.525 12.194 158 HD12 LEU 20 2HD1 LEU 20 -7.883 0.773 12.455 159 HD13 LEU 20 3HD1 LEU 20 -8.673 1.556 11.080 160 HD21 LEU 20 3HD2 LEU 20 -4.413 1.100 11.138 161 HD22 LEU 20 1HD2 LEU 20 -5.394 0.476 12.471 162 HD23 LEU 20 2HD2 LEU 20 -5.194 2.228 12.247 163 H GLU 21 H GLU 21 -7.126 -1.889 7.882 164 HA GLU 21 HA GLU 21 -5.346 -4.067 8.484 165 HB2 GLU 21 1HB GLU 21 -7.904 -3.736 6.874 166 HB3 GLU 21 2HB GLU 21 -7.147 -5.300 7.132 167 HG2 GLU 21 1HG GLU 21 -8.002 -3.435 9.423 168 HG3 GLU 21 2HG GLU 21 -9.050 -4.597 8.725 169 H LEU 22 H LEU 22 -5.895 -2.059 5.764 170 HA LEU 22 HA LEU 22 -4.735 -3.707 3.682 171 HB2 LEU 22 1HB LEU 22 -6.603 -2.017 3.488 172 HB3 LEU 22 2HB LEU 22 -5.469 -0.745 3.907 173 HG LEU 22 HG LEU 22 -4.265 -0.928 1.860 174 HD11 LEU 22 1HD1 LEU 22 -4.194 -3.310 1.442 175 HD12 LEU 22 2HD1 LEU 22 -4.977 -2.546 0.062 176 HD13 LEU 22 3HD1 LEU 22 -5.950 -3.409 1.304 177 HD21 LEU 22 3HD2 LEU 22 -6.127 -0.363 0.310 178 HD22 LEU 22 1HD2 LEU 22 -6.401 0.317 1.924 179 HD23 LEU 22 2HD2 LEU 22 -7.280 -1.128 1.451 180 H GLU 23 H GLU 23 -3.662 -1.018 5.735 181 HA GLU 23 HA GLU 23 -0.948 -1.000 4.565 182 HB2 GLU 23 1HB GLU 23 -2.209 0.289 7.018 183 HB3 GLU 23 2HB GLU 23 -0.484 0.352 6.685 184 HG2 GLU 23 1HG GLU 23 -1.069 1.355 4.399 185 HG3 GLU 23 2HG GLU 23 -2.733 1.491 4.939 186 H LYS 24 H LYS 24 -2.729 -2.701 7.105 187 HA LYS 24 HA LYS 24 -0.370 -3.599 8.482 188 HB2 LYS 24 1HB LYS 24 -2.569 -3.416 9.581 189 HB3 LYS 24 2HB LYS 24 -3.178 -4.760 8.593 190 HG2 LYS 24 1HG LYS 24 -1.628 -6.302 9.628 191 HG3 LYS 24 2HG LYS 24 -0.740 -4.984 10.401 192 HD2 LYS 24 1HD LYS 24 -2.079 -6.147 12.038 193 HD3 LYS 24 2HD LYS 24 -2.675 -4.483 11.835 194 HE2 LYS 24 1HE LYS 24 -4.485 -5.315 10.372 195 HE3 LYS 24 2HE LYS 24 -3.880 -6.965 10.505 196 HZ1 LYS 24 3HZ LYS 24 -5.766 -6.223 11.982 197 HZ2 LYS 24 1HZ LYS 24 -4.636 -5.477 12.930 198 HZ3 LYS 24 2HZ LYS 24 -4.575 -7.109 12.665 199 H GLU 25 H GLU 25 -2.394 -5.100 5.900 200 HA GLU 25 HA GLU 25 -1.108 -7.586 5.911 201 HB2 GLU 25 1HB GLU 25 -2.017 -8.025 3.797 202 HB3 GLU 25 2HB GLU 25 -3.141 -6.946 4.600 203 HG2 GLU 25 1HG GLU 25 -3.175 -6.141 2.465 204 HG3 GLU 25 2HG GLU 25 -2.086 -5.044 3.286 205 H PHE 26 H PHE 26 -0.233 -4.663 4.100 206 HA PHE 26 HA PHE 26 2.013 -5.841 2.862 207 HB2 PHE 26 1HB PHE 26 0.402 -3.892 2.143 208 HB3 PHE 26 2HB PHE 26 1.512 -2.859 3.010 209 HD1 PHE 26 1HD PHE 26 1.425 -5.551 0.375 210 HD2 PHE 26 2HD PHE 26 3.347 -1.965 1.756 211 HE1 PHE 26 1HE PHE 26 2.834 -5.551 -1.648 212 HE2 PHE 26 2HE PHE 26 4.757 -1.929 -0.295 213 HZ PHE 26 HZ PHE 26 4.519 -3.731 -2.000 214 H HIS 27 H HIS 27 2.019 -5.345 6.044 215 HA HIS 27 HA HIS 27 4.859 -4.446 6.073 216 HB2 HIS 27 1HB HIS 27 2.794 -3.279 7.453 217 HB3 HIS 27 2HB HIS 27 3.274 -4.524 8.570 218 HD1 HIS 27 1HD HIS 27 3.744 -1.164 8.719 219 HD2 HIS 27 2HD HIS 27 6.526 -4.277 8.123 220 HE1 HIS 27 1HE HIS 27 5.992 -0.212 9.276 221 H CYS 28 H CYS 28 2.883 -7.200 6.151 222 HA CYS 28 HA CYS 28 5.107 -8.683 7.434 223 HB2 CYS 28 1HB CYS 28 2.154 -9.113 7.982 224 HB3 CYS 28 2HB CYS 28 3.373 -10.353 8.277 225 HG CYS 28 HG CYS 28 2.829 -9.283 10.539 226 H LYS 29 H LYS 29 3.526 -8.181 4.561 227 HA LYS 29 HA LYS 29 4.974 -10.474 3.610 228 HB2 LYS 29 1HB LYS 29 3.127 -10.945 1.850 229 HB3 LYS 29 2HB LYS 29 3.038 -11.724 3.416 230 HG2 LYS 29 1HG LYS 29 1.265 -10.429 4.155 231 HG3 LYS 29 2HG LYS 29 1.541 -9.133 2.993 232 HD2 LYS 29 1HD LYS 29 -0.485 -10.509 2.541 233 HD3 LYS 29 2HD LYS 29 0.656 -10.388 1.202 234 HE2 LYS 29 1HE LYS 29 -0.181 -12.653 1.312 235 HE3 LYS 29 2HE LYS 29 1.540 -12.625 1.687 236 HZ1 LYS 29 3HZ LYS 29 0.386 -14.035 3.237 237 HZ2 LYS 29 1HZ LYS 29 -0.666 -12.855 3.661 238 HZ3 LYS 29 2HZ LYS 29 0.876 -12.707 4.086 239 H LYS 30 H LYS 30 6.193 -9.843 2.049 240 HA LYS 30 HA LYS 30 5.844 -7.318 0.690 241 HB2 LYS 30 1HB LYS 30 7.927 -9.183 1.052 242 HB3 LYS 30 2HB LYS 30 7.542 -9.365 -0.647 243 HG2 LYS 30 1HG LYS 30 8.306 -6.779 0.790 244 HG3 LYS 30 2HG LYS 30 9.333 -7.763 -0.258 245 HD2 LYS 30 1HD LYS 30 7.539 -7.330 -2.095 246 HD3 LYS 30 2HD LYS 30 6.923 -6.065 -1.021 247 HE2 LYS 30 1HE LYS 30 8.384 -5.083 -2.635 248 HE3 LYS 30 2HE LYS 30 9.212 -4.997 -1.072 249 HZ1 LYS 30 3HZ LYS 30 9.689 -7.219 -2.949 250 HZ2 LYS 30 1HZ LYS 30 10.700 -6.672 -1.777 251 HZ3 LYS 30 2HZ LYS 30 10.455 -5.788 -3.150 252 H TYR 31 H TYR 31 4.162 -10.296 0.334 253 HA TYR 31 HA TYR 31 3.624 -9.800 -2.528 254 HB2 TYR 31 1HB TYR 31 4.059 -12.044 -3.075 255 HB3 TYR 31 2HB TYR 31 5.496 -11.340 -2.357 256 HD1 TYR 31 1HD TYR 31 6.022 -11.981 0.164 257 HD2 TYR 31 2HD TYR 31 3.280 -14.117 -2.402 258 HE1 TYR 31 1HE TYR 31 6.177 -13.953 1.633 259 HE2 TYR 31 2HE TYR 31 3.477 -16.106 -0.967 260 HH TYR 31 HH TYR 31 5.394 -16.177 2.048 261 H LEU 32 H LEU 32 1.527 -9.163 -2.293 262 HA LEU 32 HA LEU 32 -0.404 -10.759 -0.879 263 HB2 LEU 32 1HB LEU 32 -0.609 -8.534 -2.906 264 HB3 LEU 32 2HB LEU 32 -1.994 -9.587 -2.622 265 HG LEU 32 HG LEU 32 -0.659 -7.863 -0.541 266 HD11 LEU 32 1HD1 LEU 32 -2.061 -6.554 -2.006 267 HD12 LEU 32 2HD1 LEU 32 -2.929 -6.783 -0.500 268 HD13 LEU 32 3HD1 LEU 32 -3.389 -7.743 -1.885 269 HD21 LEU 32 3HD2 LEU 32 -2.639 -8.557 0.901 270 HD22 LEU 32 1HD2 LEU 32 -1.499 -9.843 0.626 271 HD23 LEU 32 2HD2 LEU 32 -3.001 -9.798 -0.309 272 H SER 33 H SER 33 -0.907 -12.692 -1.292 273 HA SER 33 HA SER 33 -1.799 -13.726 -3.776 274 HB2 SER 33 1HB SER 33 0.608 -14.004 -4.154 275 HB3 SER 33 2HB SER 33 0.817 -14.748 -2.566 276 HG SER 33 HG SER 33 0.476 -16.040 -4.706 277 H LEU 34 H LEU 34 -1.679 -16.448 -2.721 278 HA LEU 34 HA LEU 34 -2.929 -17.852 -1.397 279 HB2 LEU 34 1HB LEU 34 -1.828 -16.093 0.811 280 HB3 LEU 34 2HB LEU 34 -2.438 -17.721 0.995 281 HG LEU 34 HG LEU 34 -0.145 -17.854 1.179 282 HD11 LEU 34 1HD1 LEU 34 0.566 -19.323 -0.658 283 HD12 LEU 34 2HD1 LEU 34 -0.764 -18.742 -1.667 284 HD13 LEU 34 3HD1 LEU 34 -1.113 -19.665 -0.189 285 HD21 LEU 34 3HD2 LEU 34 0.442 -16.627 -1.501 286 HD22 LEU 34 1HD2 LEU 34 1.519 -16.937 -0.134 287 HD23 LEU 34 2HD2 LEU 34 0.323 -15.629 -0.026 288 H THR 35 H THR 35 -4.605 -16.037 -2.461 289 HA THR 35 HA THR 35 -6.371 -14.689 -2.361 290 HB THR 35 HB THR 35 -7.184 -16.992 -1.927 291 HG1 THR 35 1HG THR 35 -9.205 -16.200 -1.919 292 HG21 THR 35 3HG2 THR 35 -7.733 -15.927 0.870 293 HG22 THR 35 1HG2 THR 35 -6.817 -17.392 0.432 294 HG23 THR 35 2HG2 THR 35 -8.556 -17.311 0.142 295 H GLU 36 H GLU 36 -4.174 -14.002 -0.169 296 HA GLU 36 HA GLU 36 -5.623 -12.489 1.745 297 HB2 GLU 36 1HB GLU 36 -2.772 -12.275 0.748 298 HB3 GLU 36 2HB GLU 36 -3.428 -11.223 1.974 299 HG2 GLU 36 1HG GLU 36 -4.012 -14.068 2.573 300 HG3 GLU 36 2HG GLU 36 -2.290 -13.754 2.383 301 H ARG 37 H ARG 37 -4.424 -11.936 -1.487 302 HA ARG 37 HA ARG 37 -5.105 -9.157 -1.530 303 HB2 ARG 37 1HB ARG 37 -3.747 -10.671 -3.356 304 HB3 ARG 37 2HB ARG 37 -5.335 -10.788 -4.094 305 HG2 ARG 37 1HG ARG 37 -5.048 -8.012 -3.544 306 HG3 ARG 37 2HG ARG 37 -3.444 -8.533 -3.994 307 HD2 ARG 37 1HD ARG 37 -4.079 -8.136 -6.076 308 HD3 ARG 37 2HD ARG 37 -4.853 -9.704 -6.012 309 HE ARG 37 HE ARG 37 -6.115 -7.016 -5.664 310 HH11 ARG 37 1HH1 ARG 37 -6.773 -10.477 -5.777 311 HH12 ARG 37 2HH1 ARG 37 -8.317 -10.313 -6.521 312 HH21 ARG 37 1HH2 ARG 37 -8.270 -6.777 -6.543 313 HH22 ARG 37 2HH2 ARG 37 -9.080 -8.157 -7.139 314 H SER 38 H SER 38 -7.236 -11.631 -1.109 315 HA SER 38 HA SER 38 -9.476 -10.115 -2.293 316 HB2 SER 38 1HB SER 38 -9.278 -13.117 -1.946 317 HB3 SER 38 2HB SER 38 -10.529 -12.210 -2.809 318 HG SER 38 HG SER 38 -8.910 -13.141 -4.211 319 H GLN 39 H GLN 39 -7.912 -10.338 0.525 320 HA GLN 39 HA GLN 39 -10.085 -11.083 2.324 321 HB2 GLN 39 1HB GLN 39 -7.516 -9.637 2.881 322 HB3 GLN 39 2HB GLN 39 -8.705 -10.132 4.082 323 HG2 GLN 39 1HG GLN 39 -7.854 -12.336 2.261 324 HG3 GLN 39 2HG GLN 39 -6.597 -11.530 3.169 325 HE21 GLN 39 1HE2 GLN 39 -5.988 -12.727 4.920 326 HE22 GLN 39 2HE2 GLN 39 -7.141 -13.631 5.897 327 H ILE 40 H ILE 40 -8.254 -8.059 1.657 328 HA ILE 40 HA ILE 40 -9.938 -6.546 3.292 329 HB ILE 40 HB ILE 40 -8.128 -5.510 1.072 330 HG12 ILE 40 1HG1 ILE 40 -6.708 -4.990 3.347 331 HG13 ILE 40 2HG1 ILE 40 -7.562 -6.419 3.907 332 HG21 ILE 40 1HG2 ILE 40 -9.008 -4.108 3.619 333 HG22 ILE 40 2HG2 ILE 40 -8.077 -3.418 2.293 334 HG23 ILE 40 3HG2 ILE 40 -9.775 -3.832 2.038 335 HD11 ILE 40 3HD1 ILE 40 -6.582 -7.690 1.942 336 HD12 ILE 40 1HD1 ILE 40 -5.742 -6.201 1.456 337 HD13 ILE 40 2HD1 ILE 40 -5.360 -6.981 3.002 338 H ALA 41 H ALA 41 -10.234 -7.137 -0.169 339 HA ALA 41 HA ALA 41 -12.331 -5.244 -0.699 340 HB1 ALA 41 1HB ALA 41 -12.672 -6.546 -2.797 341 HB2 ALA 41 2HB ALA 41 -10.971 -6.179 -2.509 342 HB3 ALA 41 3HB ALA 41 -11.599 -7.816 -2.180 343 H HIS 42 H HIS 42 -12.473 -8.257 1.099 344 HA HIS 42 HA HIS 42 -15.401 -8.399 0.577 345 HB2 HIS 42 1HB HIS 42 -13.629 -10.377 0.141 346 HB3 HIS 42 2HB HIS 42 -13.920 -10.650 1.861 347 HD1 HIS 42 1HD HIS 42 -15.769 -10.616 -1.538 348 HD2 HIS 42 2HD HIS 42 -16.347 -11.618 2.524 349 HE1 HIS 42 1HE HIS 42 -18.042 -11.715 -1.402 350 H ALA 43 H ALA 43 -13.104 -7.332 2.936 351 HA ALA 43 HA ALA 43 -14.586 -8.537 5.163 352 HB1 ALA 43 1HB ALA 43 -11.738 -7.462 4.941 353 HB2 ALA 43 2HB ALA 43 -12.448 -8.292 6.340 354 HB3 ALA 43 3HB ALA 43 -12.218 -9.169 4.815 355 H LEU 44 H LEU 44 -13.931 -5.428 3.666 356 HA LEU 44 HA LEU 44 -15.015 -4.246 6.139 357 HB2 LEU 44 1HB LEU 44 -13.063 -2.755 4.433 358 HB3 LEU 44 2HB LEU 44 -13.920 -2.251 5.894 359 HG LEU 44 HG LEU 44 -12.185 -4.488 6.460 360 HD11 LEU 44 1HD1 LEU 44 -10.761 -2.058 5.355 361 HD12 LEU 44 2HD1 LEU 44 -10.902 -3.644 4.563 362 HD13 LEU 44 3HD1 LEU 44 -10.042 -3.491 6.094 363 HD21 LEU 44 3HD2 LEU 44 -11.431 -3.105 8.257 364 HD22 LEU 44 1HD2 LEU 44 -13.193 -2.839 8.071 365 HD23 LEU 44 2HD2 LEU 44 -12.040 -1.649 7.452 366 H LYS 45 H LYS 45 -14.338 -2.679 3.088 367 HA LYS 45 HA LYS 45 -16.836 -2.451 1.920 368 HB2 LYS 45 1HB LYS 45 -17.643 -0.258 2.477 369 HB3 LYS 45 2HB LYS 45 -17.807 -1.397 3.795 370 HG2 LYS 45 1HG LYS 45 -15.263 -0.116 3.793 371 HG3 LYS 45 2HG LYS 45 -16.530 1.110 3.824 372 HD2 LYS 45 1HD LYS 45 -16.031 -1.114 5.879 373 HD3 LYS 45 2HD LYS 45 -15.694 0.594 6.094 374 HE2 LYS 45 1HE LYS 45 -18.071 1.176 5.963 375 HE3 LYS 45 2HE LYS 45 -18.483 -0.508 5.594 376 HZ1 LYS 45 3HZ LYS 45 -17.455 -1.076 7.762 377 HZ2 LYS 45 1HZ LYS 45 -18.830 -0.239 7.899 378 HZ3 LYS 45 2HZ LYS 45 -17.375 0.514 8.142 379 H LEU 46 H LEU 46 -14.392 -2.961 1.055 380 HA LEU 46 HA LEU 46 -13.685 -0.532 -0.572 381 HB2 LEU 46 1HB LEU 46 -11.827 -2.803 0.211 382 HB3 LEU 46 2HB LEU 46 -11.458 -1.492 -0.900 383 HG LEU 46 HG LEU 46 -11.798 0.154 1.026 384 HD11 LEU 46 1HD1 LEU 46 -11.163 -1.064 3.254 385 HD12 LEU 46 2HD1 LEU 46 -11.749 -2.530 2.472 386 HD13 LEU 46 3HD1 LEU 46 -12.842 -1.147 2.727 387 HD21 LEU 46 3HD2 LEU 46 -9.527 -1.849 1.142 388 HD22 LEU 46 1HD2 LEU 46 -9.516 -0.206 1.820 389 HD23 LEU 46 2HD2 LEU 46 -9.603 -0.452 0.076 390 H SER 47 H SER 47 -12.216 -1.884 -2.572 391 HA SER 47 HA SER 47 -14.189 -3.644 -3.892 392 HB2 SER 47 1HB SER 47 -13.209 -0.953 -4.874 393 HB3 SER 47 2HB SER 47 -13.813 -2.218 -5.951 394 HG SER 47 HG SER 47 -15.509 -0.991 -5.489 395 H GLU 48 H GLU 48 -13.229 -5.232 -4.995 396 HA GLU 48 HA GLU 48 -10.515 -5.717 -4.746 397 HB2 GLU 48 1HB GLU 48 -10.915 -7.564 -6.405 398 HB3 GLU 48 2HB GLU 48 -11.871 -7.581 -4.940 399 HG2 GLU 48 1HG GLU 48 -13.837 -7.184 -5.998 400 HG3 GLU 48 2HG GLU 48 -13.131 -6.151 -7.230 401 H VAL 49 H VAL 49 -12.214 -4.392 -7.606 402 HA VAL 49 HA VAL 49 -9.992 -4.339 -9.382 403 HB VAL 49 HB VAL 49 -12.423 -2.515 -9.113 404 HG11 VAL 49 1HG1 VAL 49 -11.931 -1.811 -11.472 405 HG12 VAL 49 2HG1 VAL 49 -10.752 -1.198 -10.318 406 HG13 VAL 49 3HG1 VAL 49 -10.334 -2.588 -11.348 407 HG21 VAL 49 3HG2 VAL 49 -11.722 -4.699 -11.111 408 HG22 VAL 49 1HG2 VAL 49 -12.865 -4.894 -9.757 409 HG23 VAL 49 2HG2 VAL 49 -13.222 -3.781 -11.079 410 H GLN 50 H GLN 50 -11.046 -2.027 -6.868 411 HA GLN 50 HA GLN 50 -9.301 0.057 -7.544 412 HB2 GLN 50 1HB GLN 50 -11.280 -0.453 -5.634 413 HB3 GLN 50 2HB GLN 50 -9.847 -0.279 -4.659 414 HG2 GLN 50 1HG GLN 50 -11.128 1.703 -6.564 415 HG3 GLN 50 2HG GLN 50 -10.953 1.863 -4.819 416 HE21 GLN 50 1HE2 GLN 50 -8.705 2.156 -3.973 417 HE22 GLN 50 2HE2 GLN 50 -7.614 3.084 -4.981 418 H VAL 51 H VAL 51 -8.730 -2.867 -5.533 419 HA VAL 51 HA VAL 51 -6.254 -2.093 -4.423 420 HB VAL 51 HB VAL 51 -6.935 -4.951 -5.208 421 HG11 VAL 51 1HG1 VAL 51 -5.736 -5.492 -3.115 422 HG12 VAL 51 2HG1 VAL 51 -4.688 -4.571 -4.199 423 HG13 VAL 51 3HG1 VAL 51 -5.447 -3.771 -2.815 424 HG21 VAL 51 3HG2 VAL 51 -8.125 -3.184 -3.063 425 HG22 VAL 51 1HG2 VAL 51 -8.948 -4.270 -4.200 426 HG23 VAL 51 2HG2 VAL 51 -8.036 -4.947 -2.850 427 H LYS 52 H LYS 52 -7.045 -3.474 -7.598 428 HA LYS 52 HA LYS 52 -4.448 -4.151 -8.495 429 HB2 LYS 52 1HB LYS 52 -6.792 -4.594 -9.531 430 HB3 LYS 52 2HB LYS 52 -6.630 -2.983 -10.254 431 HG2 LYS 52 1HG LYS 52 -4.551 -3.728 -11.398 432 HG3 LYS 52 2HG LYS 52 -4.701 -5.309 -10.621 433 HD2 LYS 52 1HD LYS 52 -5.516 -5.540 -12.846 434 HD3 LYS 52 2HD LYS 52 -6.923 -5.616 -11.776 435 HE2 LYS 52 1HE LYS 52 -7.432 -3.226 -12.301 436 HE3 LYS 52 2HE LYS 52 -5.990 -3.147 -13.324 437 HZ1 LYS 52 3HZ LYS 52 -7.893 -3.510 -14.666 438 HZ2 LYS 52 1HZ LYS 52 -8.359 -4.827 -13.787 439 HZ3 LYS 52 2HZ LYS 52 -6.989 -4.888 -14.703 440 H ILE 53 H ILE 53 -5.909 -1.023 -7.931 441 HA ILE 53 HA ILE 53 -3.742 0.393 -9.377 442 HB ILE 53 HB ILE 53 -6.443 1.356 -8.420 443 HG12 ILE 53 1HG1 ILE 53 -6.049 1.380 -11.336 444 HG13 ILE 53 2HG1 ILE 53 -5.902 -0.250 -10.742 445 HG21 ILE 53 1HG2 ILE 53 -5.920 3.281 -9.998 446 HG22 ILE 53 2HG2 ILE 53 -4.966 3.232 -8.513 447 HG23 ILE 53 3HG2 ILE 53 -4.245 2.694 -10.041 448 HD11 ILE 53 3HD1 ILE 53 -8.086 -0.041 -9.573 449 HD12 ILE 53 1HD1 ILE 53 -8.261 1.599 -10.207 450 HD13 ILE 53 2HD1 ILE 53 -8.233 0.215 -11.318 451 H TRP 54 H TRP 54 -5.225 -0.102 -6.120 452 HA TRP 54 HA TRP 54 -3.960 1.996 -4.759 453 HB2 TRP 54 1HB TRP 54 -5.573 0.404 -3.750 454 HB3 TRP 54 2HB TRP 54 -4.331 -0.845 -3.763 455 HD1 TRP 54 HD TRP 54 -5.115 2.558 -2.104 456 HE1 TRP 54 1HE TRP 54 -3.994 2.655 0.193 457 HE3 TRP 54 3HE TRP 54 -2.345 -1.784 -2.322 458 HZ2 TRP 54 2HZ TRP 54 -2.060 1.151 1.696 459 HZ3 TRP 54 3HZ TRP 54 -0.861 -2.383 -0.424 460 HH2 TRP 54 HH TRP 54 -0.742 -0.948 1.591 461 H PHE 55 H PHE 55 -2.685 -1.149 -5.781 462 HA PHE 55 HA PHE 55 -0.081 -1.095 -4.754 463 HB2 PHE 55 1HB PHE 55 -1.085 -2.042 -7.478 464 HB3 PHE 55 2HB PHE 55 0.539 -2.342 -6.881 465 HD1 PHE 55 1HD PHE 55 0.437 -3.225 -4.240 466 HD2 PHE 55 2HD PHE 55 -2.413 -3.965 -7.379 467 HE1 PHE 55 1HE PHE 55 -0.190 -5.387 -3.163 468 HE2 PHE 55 2HE PHE 55 -3.002 -6.143 -6.340 469 HZ PHE 55 HZ PHE 55 -1.869 -6.869 -4.255 470 H GLN 56 H GLN 56 -1.347 0.649 -7.636 471 HA GLN 56 HA GLN 56 1.009 1.189 -8.963 472 HB2 GLN 56 1HB GLN 56 -1.509 1.450 -9.513 473 HB3 GLN 56 2HB GLN 56 -1.368 3.066 -8.826 474 HG2 GLN 56 1HG GLN 56 0.306 3.658 -10.497 475 HG3 GLN 56 2HG GLN 56 0.285 2.013 -11.162 476 HE21 GLN 56 1HE2 GLN 56 -2.180 1.228 -11.570 477 HE22 GLN 56 2HE2 GLN 56 -3.216 2.426 -12.321 478 H ASN 57 H ASN 57 -0.691 3.032 -6.457 479 HA ASN 57 HA ASN 57 1.068 5.292 -6.422 480 HB2 ASN 57 1HB ASN 57 -0.595 4.337 -4.045 481 HB3 ASN 57 2HB ASN 57 -0.045 5.967 -4.399 482 HD21 ASN 57 1HD2 ASN 57 -2.453 3.503 -5.082 483 HD22 ASN 57 2HD2 ASN 57 -3.529 4.567 -5.969 484 H ARG 58 H ARG 58 0.868 2.343 -4.311 485 HA ARG 58 HA ARG 58 2.948 3.228 -2.591 486 HB2 ARG 58 1HB ARG 58 1.188 1.109 -2.545 487 HB3 ARG 58 2HB ARG 58 2.652 0.304 -3.109 488 HG2 ARG 58 1HG ARG 58 2.787 0.048 -0.795 489 HG3 ARG 58 2HG ARG 58 3.822 1.443 -1.091 490 HD2 ARG 58 1HD ARG 58 1.866 2.925 -0.454 491 HD3 ARG 58 2HD ARG 58 0.956 1.459 -0.031 492 HE ARG 58 HE ARG 58 3.260 1.147 1.407 493 HH11 ARG 58 1HH1 ARG 58 0.596 3.561 1.550 494 HH12 ARG 58 2HH1 ARG 58 1.186 4.156 3.070 495 HH21 ARG 58 1HH2 ARG 58 3.864 1.974 3.376 496 HH22 ARG 58 2HH2 ARG 58 2.948 3.285 4.077 497 H ARG 59 H ARG 59 3.100 2.156 -5.863 498 HA ARG 59 HA ARG 59 5.680 0.800 -5.551 499 HB2 ARG 59 1HB ARG 59 3.675 0.278 -7.289 500 HB3 ARG 59 2HB ARG 59 4.574 1.436 -8.275 501 HG2 ARG 59 1HG ARG 59 6.670 -0.016 -7.671 502 HG3 ARG 59 2HG ARG 59 5.515 -1.195 -7.049 503 HD2 ARG 59 1HD ARG 59 5.331 -0.072 -9.882 504 HD3 ARG 59 2HD ARG 59 6.458 -1.375 -9.492 505 HE ARG 59 HE ARG 59 4.185 -2.399 -8.486 506 HH11 ARG 59 1HH1 ARG 59 5.108 -1.177 -11.682 507 HH12 ARG 59 2HH1 ARG 59 4.300 -2.425 -12.556 508 HH21 ARG 59 1HH2 ARG 59 3.102 -4.072 -9.652 509 HH22 ARG 59 2HH2 ARG 59 3.093 -4.030 -11.385 510 H ALA 60 H ALA 60 4.938 4.078 -5.573 511 HA ALA 60 HA ALA 60 7.108 4.869 -7.420 512 HB1 ALA 60 1HB ALA 60 5.077 6.268 -7.312 513 HB2 ALA 60 2HB ALA 60 5.278 6.486 -5.561 514 HB3 ALA 60 3HB ALA 60 6.470 7.169 -6.680 515 H LYS 61 H LYS 61 6.372 5.248 -3.937 516 HA LYS 61 HA LYS 61 8.321 6.870 -3.264 517 HB2 LYS 61 1HB LYS 61 6.509 6.112 -1.855 518 HB3 LYS 61 2HB LYS 61 7.316 4.601 -1.492 519 HG2 LYS 61 1HG LYS 61 8.794 7.175 -0.904 520 HG3 LYS 61 2HG LYS 61 7.333 6.871 0.026 521 HD2 LYS 61 1HD LYS 61 8.268 4.705 0.815 522 HD3 LYS 61 2HD LYS 61 9.771 5.075 -0.057 523 HE2 LYS 61 1HE LYS 61 10.160 5.716 2.205 524 HE3 LYS 61 2HE LYS 61 9.959 7.195 1.270 525 HZ1 LYS 61 3HZ LYS 61 7.618 7.247 2.106 526 HZ2 LYS 61 1HZ LYS 61 8.741 7.434 3.257 527 HZ3 LYS 61 2HZ LYS 61 7.984 5.981 3.099 528 H TRP 62 H TRP 62 9.054 3.465 -2.336 529 HA TRP 62 HA TRP 62 11.828 4.101 -2.067 530 HB2 TRP 62 1HB TRP 62 10.791 1.311 -2.595 531 HB3 TRP 62 2HB TRP 62 12.201 1.795 -1.667 532 HD1 TRP 62 HD TRP 62 11.720 2.750 0.835 533 HE1 TRP 62 1HE TRP 62 9.758 2.493 2.435 534 HE3 TRP 62 3HE TRP 62 8.249 1.025 -2.503 535 HZ2 TRP 62 2HZ TRP 62 6.955 1.617 2.273 536 HZ3 TRP 62 3HZ TRP 62 5.977 0.464 -1.769 537 HH2 TRP 62 HH TRP 62 5.304 0.773 0.582 538 H LYS 63 H LYS 63 9.983 3.366 -4.985 539 HA LYS 63 HA LYS 63 12.263 2.245 -6.455 540 HB2 LYS 63 1HB LYS 63 9.366 2.829 -6.952 541 HB3 LYS 63 2HB LYS 63 10.394 2.907 -8.340 542 HG2 LYS 63 1HG LYS 63 9.549 0.682 -8.244 543 HG3 LYS 63 2HG LYS 63 11.253 0.573 -7.792 544 HD2 LYS 63 1HD LYS 63 10.614 0.382 -5.396 545 HD3 LYS 63 2HD LYS 63 8.919 0.672 -5.825 546 HE2 LYS 63 1HE LYS 63 8.954 -1.637 -5.633 547 HE3 LYS 63 2HE LYS 63 9.120 -1.392 -7.368 548 HZ1 LYS 63 3HZ LYS 63 10.627 -3.009 -6.715 549 HZ2 LYS 63 1HZ LYS 63 11.258 -2.142 -5.463 550 HZ3 LYS 63 2HZ LYS 63 11.566 -1.737 -7.041 551 H ARG 64 H ARG 64 10.800 5.510 -5.968 552 HA ARG 64 HA ARG 64 12.319 6.770 -8.041 553 HB2 ARG 64 1HB ARG 64 11.080 7.676 -5.504 554 HB3 ARG 64 2HB ARG 64 12.403 8.665 -6.122 555 HG2 ARG 64 1HG ARG 64 11.096 8.596 -8.390 556 HG3 ARG 64 2HG ARG 64 9.709 8.128 -7.375 557 HD2 ARG 64 1HD ARG 64 9.993 10.157 -6.024 558 HD3 ARG 64 2HD ARG 64 11.465 10.592 -6.896 559 HE ARG 64 HE ARG 64 8.737 11.058 -7.653 560 HH11 ARG 64 1HH1 ARG 64 12.054 10.847 -8.956 561 HH12 ARG 64 2HH1 ARG 64 11.640 11.541 -10.480 562 HH21 ARG 64 1HH2 ARG 64 8.264 12.199 -9.609 563 HH22 ARG 64 2HH2 ARG 64 9.491 12.366 -10.828 564 H ILE 65 H ILE 65 13.158 5.860 -4.710 565 HA ILE 65 HA ILE 65 15.815 6.963 -4.810 566 HB ILE 65 HB ILE 65 14.349 5.011 -2.987 567 HG12 ILE 65 1HG1 ILE 65 15.341 7.865 -2.598 568 HG13 ILE 65 2HG1 ILE 65 13.690 7.448 -3.054 569 HG21 ILE 65 1HG2 ILE 65 16.240 5.168 -1.429 570 HG22 ILE 65 2HG2 ILE 65 16.703 4.390 -2.920 571 HG23 ILE 65 3HG2 ILE 65 17.172 6.081 -2.655 572 HD11 ILE 65 3HD1 ILE 65 15.031 6.766 -0.425 573 HD12 ILE 65 1HD1 ILE 65 13.698 7.889 -0.724 574 HD13 ILE 65 2HD1 ILE 65 13.441 6.147 -0.953 575 H LYS 66 H LYS 66 14.612 3.608 -4.944 576 HA LYS 66 HA LYS 66 17.106 2.446 -5.732 577 HB2 LYS 66 1HB LYS 66 14.830 1.639 -4.462 578 HB3 LYS 66 2HB LYS 66 14.475 0.981 -6.044 579 HG2 LYS 66 1HG LYS 66 17.009 0.463 -4.409 580 HG3 LYS 66 2HG LYS 66 15.540 -0.508 -4.293 581 HD2 LYS 66 1HD LYS 66 15.747 -1.028 -6.758 582 HD3 LYS 66 2HD LYS 66 17.309 -0.175 -6.729 583 HE2 LYS 66 1HE LYS 66 17.809 -2.492 -6.532 584 HE3 LYS 66 2HE LYS 66 18.103 -1.736 -4.958 585 HZ1 LYS 66 3HZ LYS 66 16.249 -2.724 -4.052 586 HZ2 LYS 66 1HZ LYS 66 16.992 -3.879 -4.894 587 HZ3 LYS 66 2HZ LYS 66 15.637 -3.234 -5.537 588 H ALA 67 H ALA 67 16.084 4.531 -7.635 589 HA ALA 67 HA ALA 67 15.113 3.169 -10.029 590 HB1 ALA 67 1HB ALA 67 15.319 5.461 -11.024 591 HB2 ALA 67 2HB ALA 67 14.285 5.418 -9.586 592 HB3 ALA 67 3HB ALA 67 15.938 6.047 -9.466 593 H GLY 68 H GLY 68 16.798 1.676 -10.364 594 HA2 GLY 68 1HA GLY 68 18.357 1.406 -12.204 595 HA3 GLY 68 2HA GLY 68 19.184 2.878 -11.692 596 H ASN 69 H ASN 69 21.155 2.343 -10.902 597 HA ASN 69 HA ASN 69 21.796 -0.188 -9.749 598 HB2 ASN 69 1HB ASN 69 23.913 0.592 -9.368 599 HB3 ASN 69 2HB ASN 69 23.436 1.526 -10.793 600 HD21 ASN 69 1HD2 ASN 69 25.569 2.108 -8.660 601 HD22 ASN 69 2HD2 ASN 69 25.089 3.628 -7.984 602 H VAL 70 H VAL 70 23.092 -0.008 -7.478 603 HA VAL 70 HA VAL 70 21.390 1.344 -5.484 604 HB VAL 70 HB VAL 70 21.665 -0.575 -3.989 605 HG11 VAL 70 1HG1 VAL 70 20.389 -1.337 -6.641 606 HG12 VAL 70 2HG1 VAL 70 20.075 -2.073 -5.050 607 HG13 VAL 70 3HG1 VAL 70 19.655 -0.362 -5.348 608 HG21 VAL 70 3HG2 VAL 70 22.373 -2.787 -4.818 609 HG22 VAL 70 1HG2 VAL 70 22.852 -2.074 -6.368 610 HG23 VAL 70 2HG2 VAL 70 23.700 -1.629 -4.877 611 H SER 71 H SER 71 22.619 1.600 -3.395 612 HA SER 71 HA SER 71 24.864 3.154 -3.805 613 HB2 SER 71 1HB SER 71 24.267 1.665 -1.228 614 HB3 SER 71 2HB SER 71 24.945 3.283 -1.428 615 HG SER 71 HG SER 71 22.730 3.145 -0.787 Start of MODEL 18 1 H1 SER 1 H SER 1 -9.522 21.473 -16.441 2 HA SER 1 HA SER 1 -11.323 22.431 -15.203 3 HB2 SER 1 1HB SER 1 -11.997 23.859 -17.805 4 HB3 SER 1 2HB SER 1 -12.987 23.851 -16.336 5 HG SER 1 HG SER 1 -11.770 25.652 -16.273 6 H ALA 2 H ALA 2 -11.941 21.591 -18.714 7 HA ALA 2 HA ALA 2 -13.779 19.439 -18.051 8 HB1 ALA 2 1HB ALA 2 -12.022 20.065 -20.479 9 HB2 ALA 2 2HB ALA 2 -13.226 18.782 -20.416 10 HB3 ALA 2 3HB ALA 2 -13.757 20.466 -20.295 11 HA PRO 3 HA PRO 3 -10.461 16.457 -17.088 12 HB2 PRO 3 1HB PRO 3 -11.510 14.097 -17.990 13 HB3 PRO 3 2HB PRO 3 -12.154 14.944 -16.550 14 HG2 PRO 3 1HG PRO 3 -13.188 15.101 -19.407 15 HG3 PRO 3 2HG PRO 3 -14.114 14.747 -17.913 16 HD2 PRO 3 1HD PRO 3 -14.038 17.248 -18.915 17 HD3 PRO 3 2HD PRO 3 -13.960 16.970 -17.162 18 H GLY 4 H GLY 4 -9.067 14.834 -18.283 19 HA2 GLY 4 1HA GLY 4 -8.959 15.239 -21.243 20 HA3 GLY 4 2HA GLY 4 -7.524 14.948 -20.232 21 H GLY 5 H GLY 5 -7.086 12.833 -19.574 22 HA2 GLY 5 1HA GLY 5 -9.123 10.762 -19.650 23 HA3 GLY 5 2HA GLY 5 -7.863 10.573 -20.869 24 H LYS 6 H LYS 6 -5.945 9.640 -20.211 25 HA LYS 6 HA LYS 6 -5.785 8.431 -17.557 26 HB2 LYS 6 1HB LYS 6 -4.052 8.500 -20.035 27 HB3 LYS 6 2HB LYS 6 -3.273 8.161 -18.506 28 HG2 LYS 6 1HG LYS 6 -3.759 6.098 -19.494 29 HG3 LYS 6 2HG LYS 6 -4.777 6.260 -18.084 30 HD2 LYS 6 1HD LYS 6 -5.768 6.818 -20.914 31 HD3 LYS 6 2HD LYS 6 -5.773 5.211 -20.184 32 HE2 LYS 6 1HE LYS 6 -7.149 6.144 -18.272 33 HE3 LYS 6 2HE LYS 6 -7.321 7.638 -19.210 34 HZ1 LYS 6 3HZ LYS 6 -8.277 4.967 -20.031 35 HZ2 LYS 6 1HZ LYS 6 -8.283 6.276 -20.992 36 HZ3 LYS 6 2HZ LYS 6 -9.192 6.299 -19.650 37 H SER 7 H SER 7 -4.999 9.353 -15.696 38 HA SER 7 HA SER 7 -2.906 11.381 -15.961 39 HB2 SER 7 1HB SER 7 -4.020 13.014 -14.594 40 HB3 SER 7 2HB SER 7 -5.057 12.616 -15.982 41 HG SER 7 HG SER 7 -6.214 11.155 -14.566 42 H ARG 8 H ARG 8 -2.114 12.001 -13.683 43 HA ARG 8 HA ARG 8 -1.658 9.445 -12.237 44 HB2 ARG 8 1HB ARG 8 -0.053 10.479 -14.021 45 HB3 ARG 8 2HB ARG 8 0.410 11.591 -12.782 46 HG2 ARG 8 1HG ARG 8 0.886 8.654 -13.094 47 HG3 ARG 8 2HG ARG 8 2.032 9.935 -12.752 48 HD2 ARG 8 1HD ARG 8 1.247 10.017 -10.395 49 HD3 ARG 8 2HD ARG 8 0.131 8.702 -10.731 50 HE ARG 8 HE ARG 8 3.064 8.572 -10.510 51 HH11 ARG 8 1HH1 ARG 8 0.204 6.800 -11.768 52 HH12 ARG 8 2HH1 ARG 8 1.091 5.322 -11.947 53 HH21 ARG 8 1HH2 ARG 8 4.162 6.469 -10.752 54 HH22 ARG 8 2HH2 ARG 8 3.236 5.151 -11.371 55 H ARG 9 H ARG 9 -3.413 10.419 -10.685 56 HA ARG 9 HA ARG 9 -1.826 11.746 -8.540 57 HB2 ARG 9 1HB ARG 9 -4.682 12.470 -9.307 58 HB3 ARG 9 2HB ARG 9 -3.894 12.963 -7.810 59 HG2 ARG 9 1HG ARG 9 -2.153 14.171 -9.090 60 HG3 ARG 9 2HG ARG 9 -2.952 13.715 -10.611 61 HD2 ARG 9 1HD ARG 9 -4.984 14.915 -9.943 62 HD3 ARG 9 2HD ARG 9 -4.241 15.356 -8.390 63 HE ARG 9 HE ARG 9 -2.421 16.386 -10.038 64 HH11 ARG 9 1HH1 ARG 9 -5.983 16.767 -10.154 65 HH12 ARG 9 2HH1 ARG 9 -5.877 18.215 -11.097 66 HH21 ARG 9 1HH2 ARG 9 -2.352 18.329 -11.122 67 HH22 ARG 9 2HH2 ARG 9 -3.812 19.198 -11.530 68 H ARG 10 H ARG 10 -2.368 11.231 -6.502 69 HA ARG 10 HA ARG 10 -3.368 8.630 -5.763 70 HB2 ARG 10 1HB ARG 10 -2.639 11.153 -4.255 71 HB3 ARG 10 2HB ARG 10 -3.397 9.806 -3.416 72 HG2 ARG 10 1HG ARG 10 -0.966 9.872 -3.143 73 HG3 ARG 10 2HG ARG 10 -1.578 8.348 -3.787 74 HD2 ARG 10 1HD ARG 10 -0.842 8.849 -5.964 75 HD3 ARG 10 2HD ARG 10 -0.519 10.557 -5.566 76 HE ARG 10 HE ARG 10 1.017 8.584 -4.049 77 HH11 ARG 10 1HH1 ARG 10 0.979 10.387 -7.082 78 HH12 ARG 10 2HH1 ARG 10 2.644 10.849 -7.018 79 HH21 ARG 10 1HH2 ARG 10 3.299 8.980 -4.057 80 HH22 ARG 10 2HH2 ARG 10 4.051 9.661 -5.488 81 H ARG 11 H ARG 11 -5.413 8.742 -6.999 82 HA ARG 11 HA ARG 11 -7.564 10.221 -5.589 83 HB2 ARG 11 1HB ARG 11 -7.053 10.069 -8.254 84 HB3 ARG 11 2HB ARG 11 -8.121 8.697 -8.123 85 HG2 ARG 11 1HG ARG 11 -9.316 10.916 -6.658 86 HG3 ARG 11 2HG ARG 11 -8.663 11.542 -8.165 87 HD2 ARG 11 1HD ARG 11 -10.920 10.993 -8.604 88 HD3 ARG 11 2HD ARG 11 -9.962 9.719 -9.381 89 HE ARG 11 HE ARG 11 -10.737 9.077 -6.649 90 HH11 ARG 11 1HH1 ARG 11 -12.247 9.190 -9.855 91 HH12 ARG 11 2HH1 ARG 11 -12.942 7.612 -9.728 92 HH21 ARG 11 1HH2 ARG 11 -12.127 7.503 -6.218 93 HH22 ARG 11 2HH2 ARG 11 -13.085 6.702 -7.445 94 H THR 12 H THR 12 -6.486 8.192 -3.983 95 HA THR 12 HA THR 12 -8.027 5.773 -4.125 96 HB THR 12 HB THR 12 -7.692 6.449 -1.418 97 HG1 THR 12 1HG THR 12 -5.855 7.465 -1.186 98 HG21 THR 12 3HG2 THR 12 -6.084 4.790 -1.247 99 HG22 THR 12 1HG2 THR 12 -5.653 4.879 -2.966 100 HG23 THR 12 2HG2 THR 12 -7.254 4.274 -2.470 101 H ALA 13 H ALA 13 -9.945 5.315 -3.091 102 HA ALA 13 HA ALA 13 -11.647 7.566 -2.203 103 HB1 ALA 13 1HB ALA 13 -13.561 6.238 -3.071 104 HB2 ALA 13 2HB ALA 13 -12.378 6.463 -4.368 105 HB3 ALA 13 3HB ALA 13 -12.456 4.922 -3.502 106 H PHE 14 H PHE 14 -9.801 5.493 -0.970 107 HA PHE 14 HA PHE 14 -11.531 4.009 0.937 108 HB2 PHE 14 1HB PHE 14 -8.505 4.212 0.974 109 HB3 PHE 14 2HB PHE 14 -9.516 3.052 1.812 110 HD1 PHE 14 2HD PHE 14 -11.312 2.073 -0.508 111 HD2 PHE 14 1HD PHE 14 -7.072 2.862 -0.203 112 HE1 PHE 14 2HE PHE 14 -10.856 0.304 -2.150 113 HE2 PHE 14 1HE PHE 14 -6.650 1.183 -1.929 114 HZ PHE 14 HZ PHE 14 -8.503 -0.225 -2.806 115 H THR 15 H THR 15 -10.399 4.094 3.291 116 HA THR 15 HA THR 15 -10.271 6.887 4.180 117 HB THR 15 HB THR 15 -12.180 6.612 5.578 118 HG1 THR 15 1HG THR 15 -13.314 4.630 5.619 119 HG21 THR 15 3HG2 THR 15 -13.125 5.387 2.965 120 HG22 THR 15 1HG2 THR 15 -12.776 7.122 3.191 121 HG23 THR 15 2HG2 THR 15 -14.059 6.339 4.123 122 H SER 16 H SER 16 -10.059 6.741 6.781 123 HA SER 16 HA SER 16 -7.555 5.351 7.199 124 HB2 SER 16 1HB SER 16 -7.692 7.298 8.404 125 HB3 SER 16 2HB SER 16 -9.421 7.134 8.737 126 HG SER 16 HG SER 16 -7.322 5.692 10.030 127 H GLU 17 H GLU 17 -10.949 4.857 8.146 128 HA GLU 17 HA GLU 17 -10.559 2.676 9.853 129 HB2 GLU 17 1HB GLU 17 -12.774 4.076 8.753 130 HB3 GLU 17 2HB GLU 17 -12.997 2.418 8.218 131 HG2 GLU 17 1HG GLU 17 -12.378 1.908 10.796 132 HG3 GLU 17 2HG GLU 17 -12.940 3.574 10.988 133 H GLN 18 H GLN 18 -10.640 2.813 6.362 134 HA GLN 18 HA GLN 18 -10.894 -0.111 6.031 135 HB2 GLN 18 1HB GLN 18 -10.877 2.242 4.101 136 HB3 GLN 18 2HB GLN 18 -11.130 0.564 3.626 137 HG2 GLN 18 1HG GLN 18 -13.162 0.397 4.890 138 HG3 GLN 18 2HG GLN 18 -12.937 1.974 5.629 139 HE21 GLN 18 1HE2 GLN 18 -12.625 0.911 2.172 140 HE22 GLN 18 2HE2 GLN 18 -13.828 2.048 1.589 141 H LEU 19 H LEU 19 -8.355 2.161 6.330 142 HA LEU 19 HA LEU 19 -6.463 0.624 4.637 143 HB2 LEU 19 1HB LEU 19 -6.351 3.282 6.101 144 HB3 LEU 19 2HB LEU 19 -4.934 2.570 5.334 145 HG LEU 19 HG LEU 19 -7.487 3.081 3.737 146 HD11 LEU 19 1HD1 LEU 19 -5.127 4.970 4.109 147 HD12 LEU 19 2HD1 LEU 19 -6.754 5.188 4.783 148 HD13 LEU 19 3HD1 LEU 19 -6.524 5.208 3.029 149 HD21 LEU 19 3HD2 LEU 19 -4.574 2.705 2.971 150 HD22 LEU 19 1HD2 LEU 19 -5.893 3.166 1.848 151 HD23 LEU 19 2HD2 LEU 19 -5.927 1.595 2.667 152 H LEU 20 H LEU 20 -7.632 0.425 7.784 153 HA LEU 20 HA LEU 20 -5.267 0.811 9.324 154 HB2 LEU 20 1HB LEU 20 -8.114 0.005 9.713 155 HB3 LEU 20 2HB LEU 20 -7.039 -0.807 10.826 156 HG LEU 20 HG LEU 20 -7.008 2.218 10.483 157 HD11 LEU 20 1HD1 LEU 20 -8.545 0.514 12.504 158 HD12 LEU 20 2HD1 LEU 20 -9.244 1.504 11.219 159 HD13 LEU 20 3HD1 LEU 20 -8.391 2.299 12.538 160 HD21 LEU 20 3HD2 LEU 20 -4.991 1.256 11.522 161 HD22 LEU 20 1HD2 LEU 20 -5.963 0.332 12.654 162 HD23 LEU 20 2HD2 LEU 20 -5.926 2.116 12.733 163 H GLU 21 H GLU 21 -7.037 -2.064 8.297 164 HA GLU 21 HA GLU 21 -5.153 -3.991 9.407 165 HB2 GLU 21 1HB GLU 21 -7.476 -4.414 7.502 166 HB3 GLU 21 2HB GLU 21 -6.684 -5.626 8.512 167 HG2 GLU 21 1HG GLU 21 -8.165 -3.225 9.705 168 HG3 GLU 21 2HG GLU 21 -8.946 -4.679 9.237 169 H LEU 22 H LEU 22 -6.014 -2.517 6.346 170 HA LEU 22 HA LEU 22 -4.725 -4.256 4.548 171 HB2 LEU 22 1HB LEU 22 -6.549 -2.704 4.001 172 HB3 LEU 22 2HB LEU 22 -5.530 -1.331 4.415 173 HG LEU 22 HG LEU 22 -4.117 -1.634 2.584 174 HD11 LEU 22 1HD1 LEU 22 -4.496 -3.227 0.728 175 HD12 LEU 22 2HD1 LEU 22 -5.761 -4.032 1.654 176 HD13 LEU 22 3HD1 LEU 22 -4.086 -4.076 2.223 177 HD21 LEU 22 3HD2 LEU 22 -6.897 -1.859 1.442 178 HD22 LEU 22 1HD2 LEU 22 -5.565 -0.760 0.979 179 HD23 LEU 22 2HD2 LEU 22 -6.446 -0.517 2.487 180 H GLU 23 H GLU 23 -3.606 -1.101 5.849 181 HA GLU 23 HA GLU 23 -0.960 -1.304 4.621 182 HB2 GLU 23 1HB GLU 23 -2.116 0.492 6.795 183 HB3 GLU 23 2HB GLU 23 -0.382 0.402 6.495 184 HG2 GLU 23 1HG GLU 23 -0.943 0.817 4.003 185 HG3 GLU 23 2HG GLU 23 -2.526 1.348 4.576 186 H LYS 24 H LYS 24 -2.380 -2.351 7.694 187 HA LYS 24 HA LYS 24 0.052 -3.117 8.958 188 HB2 LYS 24 1HB LYS 24 -2.014 -2.781 10.136 189 HB3 LYS 24 2HB LYS 24 -2.824 -4.053 9.232 190 HG2 LYS 24 1HG LYS 24 -1.359 -5.753 10.276 191 HG3 LYS 24 2HG LYS 24 -0.585 -4.481 11.242 192 HD2 LYS 24 1HD LYS 24 -3.585 -5.094 11.236 193 HD3 LYS 24 2HD LYS 24 -2.443 -5.732 12.422 194 HE2 LYS 24 1HE LYS 24 -1.907 -3.514 13.242 195 HE3 LYS 24 2HE LYS 24 -2.857 -2.742 11.958 196 HZ1 LYS 24 3HZ LYS 24 -4.009 -2.905 14.126 197 HZ2 LYS 24 1HZ LYS 24 -4.048 -4.536 13.955 198 HZ3 LYS 24 2HZ LYS 24 -4.846 -3.565 12.899 199 H GLU 25 H GLU 25 -2.260 -5.054 6.989 200 HA GLU 25 HA GLU 25 -0.755 -7.440 6.919 201 HB2 GLU 25 1HB GLU 25 -3.171 -6.526 5.827 202 HB3 GLU 25 2HB GLU 25 -2.199 -6.714 4.407 203 HG2 GLU 25 1HG GLU 25 -3.266 -8.780 4.654 204 HG3 GLU 25 2HG GLU 25 -1.659 -9.103 5.337 205 H PHE 26 H PHE 26 -0.564 -4.532 4.806 206 HA PHE 26 HA PHE 26 1.445 -5.808 3.088 207 HB2 PHE 26 1HB PHE 26 -0.330 -4.130 2.395 208 HB3 PHE 26 2HB PHE 26 0.671 -2.893 3.144 209 HD1 PHE 26 2HD PHE 26 0.460 -5.426 0.407 210 HD2 PHE 26 1HD PHE 26 2.690 -2.083 1.992 211 HE1 PHE 26 2HE PHE 26 1.707 -5.230 -1.728 212 HE2 PHE 26 1HE PHE 26 3.938 -1.908 -0.126 213 HZ PHE 26 HZ PHE 26 3.455 -3.474 -2.009 214 H HIS 27 H HIS 27 1.666 -4.413 6.185 215 HA HIS 27 HA HIS 27 4.325 -3.303 5.989 216 HB2 HIS 27 1HB HIS 27 2.526 -3.084 7.883 217 HB3 HIS 27 2HB HIS 27 3.128 -4.652 8.421 218 HD1 HIS 27 1HD HIS 27 5.769 -4.638 9.322 219 HD2 HIS 27 2HD HIS 27 3.878 -0.957 8.510 220 HE1 HIS 27 1HE HIS 27 7.204 -2.834 10.391 221 H CYS 28 H CYS 28 2.920 -6.561 6.277 222 HA CYS 28 HA CYS 28 5.546 -7.745 6.923 223 HB2 CYS 28 1HB CYS 28 2.743 -8.932 6.913 224 HB3 CYS 28 2HB CYS 28 4.219 -9.691 7.541 225 HG CYS 28 HG CYS 28 4.800 -7.813 9.261 226 H LYS 29 H LYS 29 3.822 -7.105 4.049 227 HA LYS 29 HA LYS 29 5.371 -9.145 2.656 228 HB2 LYS 29 1HB LYS 29 3.334 -10.050 1.515 229 HB3 LYS 29 2HB LYS 29 3.596 -10.576 3.179 230 HG2 LYS 29 1HG LYS 29 1.680 -9.614 3.964 231 HG3 LYS 29 2HG LYS 29 1.965 -8.159 3.051 232 HD2 LYS 29 1HD LYS 29 1.244 -10.105 1.078 233 HD3 LYS 29 2HD LYS 29 0.113 -10.279 2.411 234 HE2 LYS 29 1HE LYS 29 0.944 -7.613 1.233 235 HE3 LYS 29 2HE LYS 29 -0.404 -8.586 0.636 236 HZ1 LYS 29 3HZ LYS 29 -1.448 -8.490 2.730 237 HZ2 LYS 29 1HZ LYS 29 -1.138 -6.934 2.328 238 HZ3 LYS 29 2HZ LYS 29 -0.183 -7.716 3.452 239 H LYS 30 H LYS 30 6.027 -8.428 0.806 240 HA LYS 30 HA LYS 30 5.499 -5.738 0.065 241 HB2 LYS 30 1HB LYS 30 7.500 -7.728 -0.381 242 HB3 LYS 30 2HB LYS 30 6.941 -7.311 -1.987 243 HG2 LYS 30 1HG LYS 30 7.952 -5.356 0.130 244 HG3 LYS 30 2HG LYS 30 8.856 -5.997 -1.258 245 HD2 LYS 30 1HD LYS 30 7.226 -4.927 -2.812 246 HD3 LYS 30 2HD LYS 30 6.372 -4.232 -1.425 247 HE2 LYS 30 1HE LYS 30 7.843 -2.570 -2.380 248 HE3 LYS 30 2HE LYS 30 8.375 -2.976 -0.747 249 HZ1 LYS 30 3HZ LYS 30 9.571 -4.219 -3.149 250 HZ2 LYS 30 1HZ LYS 30 10.184 -4.189 -1.620 251 HZ3 LYS 30 2HZ LYS 30 10.136 -2.815 -2.479 252 H TYR 31 H TYR 31 3.501 -8.322 -0.831 253 HA TYR 31 HA TYR 31 2.681 -7.056 -3.368 254 HB2 TYR 31 1HB TYR 31 2.782 -9.417 -4.383 255 HB3 TYR 31 2HB TYR 31 4.289 -8.526 -4.204 256 HD1 TYR 31 1HD TYR 31 2.233 -11.231 -2.555 257 HD2 TYR 31 2HD TYR 31 6.131 -9.421 -3.012 258 HE1 TYR 31 1HE TYR 31 3.215 -13.047 -1.256 259 HE2 TYR 31 2HE TYR 31 7.131 -11.246 -1.687 260 HH TYR 31 HH TYR 31 5.249 -13.939 -0.241 261 H LEU 32 H LEU 32 0.617 -8.211 -4.179 262 HA LEU 32 HA LEU 32 -0.992 -9.113 -1.862 263 HB2 LEU 32 1HB LEU 32 -1.288 -6.625 -2.958 264 HB3 LEU 32 2HB LEU 32 -2.356 -7.586 -3.995 265 HG LEU 32 HG LEU 32 -3.560 -8.387 -2.008 266 HD11 LEU 32 1HD1 LEU 32 -3.308 -7.097 0.142 267 HD12 LEU 32 2HD1 LEU 32 -1.813 -6.367 -0.508 268 HD13 LEU 32 3HD1 LEU 32 -1.933 -8.120 -0.212 269 HD21 LEU 32 3HD2 LEU 32 -3.427 -5.352 -2.220 270 HD22 LEU 32 1HD2 LEU 32 -4.784 -6.317 -1.621 271 HD23 LEU 32 2HD2 LEU 32 -4.316 -6.428 -3.324 272 H SER 33 H SER 33 -1.137 -11.134 -2.250 273 HA SER 33 HA SER 33 -1.264 -12.490 -4.757 274 HB2 SER 33 1HB SER 33 -2.002 -13.339 -1.923 275 HB3 SER 33 2HB SER 33 -1.641 -14.419 -3.281 276 HG SER 33 HG SER 33 0.138 -13.709 -1.680 277 H LEU 34 H LEU 34 -3.168 -14.152 -5.037 278 HA LEU 34 HA LEU 34 -5.465 -12.693 -5.891 279 HB2 LEU 34 1HB LEU 34 -4.758 -15.615 -5.547 280 HB3 LEU 34 2HB LEU 34 -6.409 -15.163 -5.905 281 HG LEU 34 HG LEU 34 -5.001 -15.836 -7.863 282 HD11 LEU 34 1HD1 LEU 34 -6.241 -13.059 -8.012 283 HD12 LEU 34 2HD1 LEU 34 -7.093 -14.615 -8.104 284 HD13 LEU 34 3HD1 LEU 34 -5.939 -14.167 -9.373 285 HD21 LEU 34 3HD2 LEU 34 -3.531 -14.230 -8.923 286 HD22 LEU 34 1HD2 LEU 34 -2.905 -14.661 -7.322 287 HD23 LEU 34 2HD2 LEU 34 -3.710 -13.088 -7.582 288 H THR 35 H THR 35 -5.342 -15.205 -3.348 289 HA THR 35 HA THR 35 -7.517 -14.666 -1.846 290 HB THR 35 HB THR 35 -6.112 -16.517 -1.478 291 HG1 THR 35 1HG THR 35 -5.553 -15.392 0.967 292 HG21 THR 35 3HG2 THR 35 -3.884 -15.705 -2.016 293 HG22 THR 35 1HG2 THR 35 -3.900 -16.466 -0.429 294 HG23 THR 35 2HG2 THR 35 -3.871 -14.700 -0.544 295 H GLU 36 H GLU 36 -4.462 -12.728 -1.693 296 HA GLU 36 HA GLU 36 -5.199 -11.355 0.732 297 HB2 GLU 36 1HB GLU 36 -3.039 -11.225 -1.351 298 HB3 GLU 36 2HB GLU 36 -3.268 -9.840 -0.294 299 HG2 GLU 36 1HG GLU 36 -2.831 -12.656 0.747 300 HG3 GLU 36 2HG GLU 36 -1.545 -11.460 0.503 301 H ARG 37 H ARG 37 -5.186 -10.525 -2.768 302 HA ARG 37 HA ARG 37 -6.260 -7.987 -2.459 303 HB2 ARG 37 1HB ARG 37 -5.384 -8.685 -4.576 304 HB3 ARG 37 2HB ARG 37 -6.520 -10.030 -4.699 305 HG2 ARG 37 1HG ARG 37 -7.743 -7.304 -4.485 306 HG3 ARG 37 2HG ARG 37 -6.828 -7.606 -5.951 307 HD2 ARG 37 1HD ARG 37 -8.835 -9.701 -5.092 308 HD3 ARG 37 2HD ARG 37 -9.413 -8.170 -5.751 309 HE ARG 37 HE ARG 37 -7.327 -9.552 -7.307 310 HH11 ARG 37 1HH1 ARG 37 -10.817 -9.515 -6.824 311 HH12 ARG 37 2HH1 ARG 37 -11.236 -9.272 -8.487 312 HH21 ARG 37 1HH2 ARG 37 -7.884 -9.604 -9.615 313 HH22 ARG 37 2HH2 ARG 37 -9.548 -9.617 -10.103 314 H SER 38 H SER 38 -7.994 -11.152 -2.688 315 HA SER 38 HA SER 38 -10.589 -9.949 -2.450 316 HB2 SER 38 1HB SER 38 -9.619 -12.773 -1.898 317 HB3 SER 38 2HB SER 38 -11.313 -12.272 -2.044 318 HG SER 38 HG SER 38 -10.087 -13.144 -3.941 319 H GLN 39 H GLN 39 -8.121 -10.641 0.032 320 HA GLN 39 HA GLN 39 -9.980 -11.328 2.094 321 HB2 GLN 39 1HB GLN 39 -7.103 -10.275 2.289 322 HB3 GLN 39 2HB GLN 39 -8.097 -10.734 3.662 323 HG2 GLN 39 1HG GLN 39 -8.215 -13.000 2.055 324 HG3 GLN 39 2HG GLN 39 -6.584 -12.433 1.805 325 HE21 GLN 39 1HE2 GLN 39 -5.147 -12.084 3.732 326 HE22 GLN 39 2HE2 GLN 39 -5.462 -13.030 5.166 327 H ILE 40 H ILE 40 -8.017 -8.377 1.667 328 HA ILE 40 HA ILE 40 -9.651 -6.852 3.450 329 HB ILE 40 HB ILE 40 -7.789 -5.910 1.238 330 HG12 ILE 40 1HG1 ILE 40 -6.482 -5.248 3.554 331 HG13 ILE 40 2HG1 ILE 40 -7.385 -6.612 4.160 332 HG21 ILE 40 1HG2 ILE 40 -8.805 -4.368 3.696 333 HG22 ILE 40 2HG2 ILE 40 -7.833 -3.723 2.364 334 HG23 ILE 40 3HG2 ILE 40 -9.505 -4.170 2.084 335 HD11 ILE 40 3HD1 ILE 40 -5.081 -7.187 3.375 336 HD12 ILE 40 1HD1 ILE 40 -6.304 -8.089 2.477 337 HD13 ILE 40 2HD1 ILE 40 -5.516 -6.682 1.736 338 H ALA 41 H ALA 41 -9.841 -7.389 -0.124 339 HA ALA 41 HA ALA 41 -11.678 -5.303 -0.607 340 HB1 ALA 41 1HB ALA 41 -12.198 -6.405 -2.719 341 HB2 ALA 41 2HB ALA 41 -10.449 -6.386 -2.436 342 HB3 ALA 41 3HB ALA 41 -11.387 -7.885 -2.173 343 H HIS 42 H HIS 42 -12.333 -8.486 0.840 344 HA HIS 42 HA HIS 42 -15.206 -7.643 0.909 345 HB2 HIS 42 1HB HIS 42 -14.742 -9.573 -0.604 346 HB3 HIS 42 2HB HIS 42 -14.156 -10.485 0.781 347 HD1 HIS 42 1HD HIS 42 -15.995 -12.173 1.354 348 HD2 HIS 42 2HD HIS 42 -17.469 -8.356 0.379 349 HE1 HIS 42 1HE HIS 42 -18.537 -12.315 1.558 350 H ALA 43 H ALA 43 -12.904 -7.017 2.746 351 HA ALA 43 HA ALA 43 -13.764 -8.396 5.225 352 HB1 ALA 43 1HB ALA 43 -11.337 -8.202 5.035 353 HB2 ALA 43 2HB ALA 43 -11.469 -6.456 4.711 354 HB3 ALA 43 3HB ALA 43 -11.930 -7.120 6.286 355 H LEU 44 H LEU 44 -13.365 -5.106 3.692 356 HA LEU 44 HA LEU 44 -14.876 -4.105 6.061 357 HB2 LEU 44 1HB LEU 44 -12.671 -2.867 4.416 358 HB3 LEU 44 2HB LEU 44 -13.505 -2.021 5.691 359 HG LEU 44 HG LEU 44 -12.393 -4.607 6.603 360 HD11 LEU 44 1HD1 LEU 44 -10.502 -2.425 5.614 361 HD12 LEU 44 2HD1 LEU 44 -10.681 -4.056 4.928 362 HD13 LEU 44 3HD1 LEU 44 -10.055 -3.882 6.571 363 HD21 LEU 44 3HD2 LEU 44 -13.279 -2.865 8.125 364 HD22 LEU 44 1HD2 LEU 44 -12.012 -1.740 7.581 365 HD23 LEU 44 2HD2 LEU 44 -11.583 -3.225 8.450 366 H LYS 45 H LYS 45 -14.084 -2.194 3.209 367 HA LYS 45 HA LYS 45 -16.869 -1.961 2.292 368 HB2 LYS 45 1HB LYS 45 -15.274 0.301 3.533 369 HB3 LYS 45 2HB LYS 45 -16.802 0.492 2.694 370 HG2 LYS 45 1HG LYS 45 -17.594 0.518 4.767 371 HG3 LYS 45 2HG LYS 45 -17.618 -1.219 4.506 372 HD2 LYS 45 1HD LYS 45 -16.384 -1.507 6.379 373 HD3 LYS 45 2HD LYS 45 -15.087 -0.585 5.642 374 HE2 LYS 45 1HE LYS 45 -15.480 0.459 7.701 375 HE3 LYS 45 2HE LYS 45 -16.167 1.528 6.474 376 HZ1 LYS 45 3HZ LYS 45 -17.649 -0.340 8.222 377 HZ2 LYS 45 1HZ LYS 45 -18.357 0.624 7.059 378 HZ3 LYS 45 2HZ LYS 45 -17.601 1.288 8.351 379 H LEU 46 H LEU 46 -14.091 -2.702 1.104 380 HA LEU 46 HA LEU 46 -13.324 -0.370 -0.538 381 HB2 LEU 46 1HB LEU 46 -12.170 -3.176 -0.205 382 HB3 LEU 46 2HB LEU 46 -11.522 -1.965 -1.305 383 HG LEU 46 HG LEU 46 -11.171 -0.421 0.703 384 HD11 LEU 46 1HD1 LEU 46 -11.735 -3.044 2.121 385 HD12 LEU 46 2HD1 LEU 46 -12.433 -1.441 2.449 386 HD13 LEU 46 3HD1 LEU 46 -10.756 -1.754 2.848 387 HD21 LEU 46 3HD2 LEU 46 -9.309 -1.386 -0.377 388 HD22 LEU 46 1HD2 LEU 46 -9.694 -3.026 0.190 389 HD23 LEU 46 2HD2 LEU 46 -9.089 -1.796 1.323 390 H SER 47 H SER 47 -12.556 -1.342 -2.969 391 HA SER 47 HA SER 47 -14.704 -3.024 -4.080 392 HB2 SER 47 1HB SER 47 -15.202 -0.641 -4.643 393 HB3 SER 47 2HB SER 47 -13.564 -0.499 -5.324 394 HG SER 47 HG SER 47 -14.920 -0.887 -7.003 395 H GLU 48 H GLU 48 -13.813 -4.598 -5.305 396 HA GLU 48 HA GLU 48 -11.202 -5.497 -5.090 397 HB2 GLU 48 1HB GLU 48 -13.287 -5.831 -7.262 398 HB3 GLU 48 2HB GLU 48 -11.800 -6.776 -7.258 399 HG2 GLU 48 1HG GLU 48 -12.402 -8.038 -5.400 400 HG3 GLU 48 2HG GLU 48 -13.537 -6.831 -4.798 401 H VAL 49 H VAL 49 -12.569 -3.534 -7.743 402 HA VAL 49 HA VAL 49 -10.310 -3.671 -9.453 403 HB VAL 49 HB VAL 49 -12.478 -1.504 -9.317 404 HG11 VAL 49 1HG1 VAL 49 -10.657 -0.786 -10.750 405 HG12 VAL 49 2HG1 VAL 49 -10.562 -2.367 -11.546 406 HG13 VAL 49 3HG1 VAL 49 -11.976 -1.302 -11.787 407 HG21 VAL 49 3HG2 VAL 49 -12.443 -4.162 -10.830 408 HG22 VAL 49 1HG2 VAL 49 -13.548 -3.700 -9.522 409 HG23 VAL 49 2HG2 VAL 49 -13.632 -2.862 -11.060 410 H GLN 50 H GLN 50 -10.925 -1.532 -6.692 411 HA GLN 50 HA GLN 50 -8.717 0.232 -7.452 412 HB2 GLN 50 1HB GLN 50 -10.873 0.260 -5.488 413 HB3 GLN 50 2HB GLN 50 -9.348 0.450 -4.655 414 HG2 GLN 50 1HG GLN 50 -10.265 2.145 -6.991 415 HG3 GLN 50 2HG GLN 50 -10.284 2.585 -5.270 416 HE21 GLN 50 1HE2 GLN 50 -8.129 2.829 -4.180 417 HE22 GLN 50 2HE2 GLN 50 -6.716 3.158 -5.207 418 H VAL 51 H VAL 51 -9.247 -2.527 -5.307 419 HA VAL 51 HA VAL 51 -6.868 -2.218 -3.774 420 HB VAL 51 HB VAL 51 -8.551 -4.704 -4.367 421 HG11 VAL 51 1HG1 VAL 51 -6.371 -5.440 -3.551 422 HG12 VAL 51 2HG1 VAL 51 -6.453 -4.312 -2.182 423 HG13 VAL 51 3HG1 VAL 51 -7.585 -5.671 -2.295 424 HG21 VAL 51 3HG2 VAL 51 -9.798 -2.903 -3.196 425 HG22 VAL 51 1HG2 VAL 51 -9.520 -4.273 -2.122 426 HG23 VAL 51 2HG2 VAL 51 -8.519 -2.818 -1.983 427 H LYS 52 H LYS 52 -7.549 -3.933 -6.840 428 HA LYS 52 HA LYS 52 -5.003 -5.094 -7.155 429 HB2 LYS 52 1HB LYS 52 -5.706 -5.663 -9.268 430 HB3 LYS 52 2HB LYS 52 -7.167 -5.643 -8.301 431 HG2 LYS 52 1HG LYS 52 -8.119 -4.324 -9.794 432 HG3 LYS 52 2HG LYS 52 -7.002 -3.042 -9.364 433 HD2 LYS 52 1HD LYS 52 -5.653 -3.359 -11.216 434 HD3 LYS 52 2HD LYS 52 -6.048 -5.072 -11.331 435 HE2 LYS 52 1HE LYS 52 -8.457 -4.267 -11.938 436 HE3 LYS 52 2HE LYS 52 -7.677 -2.703 -12.295 437 HZ1 LYS 52 3HZ LYS 52 -7.778 -4.164 -14.241 438 HZ2 LYS 52 1HZ LYS 52 -6.946 -5.335 -13.443 439 HZ3 LYS 52 2HZ LYS 52 -6.213 -3.905 -13.841 440 H ILE 53 H ILE 53 -5.553 -1.810 -7.088 441 HA ILE 53 HA ILE 53 -3.062 -1.302 -8.692 442 HB ILE 53 HB ILE 53 -5.261 0.655 -8.098 443 HG12 ILE 53 1HG1 ILE 53 -4.772 -0.090 -10.972 444 HG13 ILE 53 2HG1 ILE 53 -5.496 -1.366 -10.018 445 HG21 ILE 53 1HG2 ILE 53 -2.642 0.836 -9.637 446 HG22 ILE 53 2HG2 ILE 53 -3.997 1.952 -9.993 447 HG23 ILE 53 3HG2 ILE 53 -3.284 1.887 -8.389 448 HD11 ILE 53 3HD1 ILE 53 -6.600 1.441 -10.311 449 HD12 ILE 53 1HD1 ILE 53 -7.291 -0.087 -10.928 450 HD13 ILE 53 2HD1 ILE 53 -7.234 0.215 -9.187 451 H TRP 54 H TRP 54 -4.649 -1.036 -5.527 452 HA TRP 54 HA TRP 54 -3.222 1.131 -4.479 453 HB2 TRP 54 1HB TRP 54 -5.182 0.200 -3.459 454 HB3 TRP 54 2HB TRP 54 -4.375 -1.342 -3.209 455 HD1 TRP 54 HD TRP 54 -4.613 2.168 -1.665 456 HE1 TRP 54 1HE TRP 54 -3.750 2.011 0.764 457 HE3 TRP 54 3HE TRP 54 -2.616 -2.556 -1.776 458 HZ2 TRP 54 2HZ TRP 54 -2.261 0.197 2.354 459 HZ3 TRP 54 3HZ TRP 54 -1.480 -3.467 0.233 460 HH2 TRP 54 HH TRP 54 -1.340 -2.105 2.311 461 H PHE 55 H PHE 55 -2.064 -2.132 -5.038 462 HA PHE 55 HA PHE 55 0.411 -1.674 -3.491 463 HB2 PHE 55 1HB PHE 55 1.193 -3.776 -4.643 464 HB3 PHE 55 2HB PHE 55 -0.141 -3.911 -3.510 465 HD1 PHE 55 1HD PHE 55 0.681 -3.845 -7.159 466 HD2 PHE 55 2HD PHE 55 -2.263 -4.763 -4.158 467 HE1 PHE 55 1HE PHE 55 -0.774 -4.979 -8.879 468 HE2 PHE 55 2HE PHE 55 -3.583 -6.020 -5.811 469 HZ PHE 55 HZ PHE 55 -2.839 -6.115 -8.192 470 H GLN 56 H GLN 56 -0.492 -1.611 -7.115 471 HA GLN 56 HA GLN 56 2.221 -1.296 -7.856 472 HB2 GLN 56 1HB GLN 56 1.043 -0.747 -10.011 473 HB3 GLN 56 2HB GLN 56 1.142 -2.418 -9.393 474 HG2 GLN 56 1HG GLN 56 -1.146 -2.430 -8.848 475 HG3 GLN 56 2HG GLN 56 -1.157 -0.626 -8.868 476 HE21 GLN 56 1HE2 GLN 56 -0.920 0.589 -10.810 477 HE22 GLN 56 2HE2 GLN 56 -1.029 -0.305 -12.294 478 H ASN 57 H ASN 57 -0.410 0.920 -7.153 479 HA ASN 57 HA ASN 57 1.054 3.212 -8.209 480 HB2 ASN 57 1HB ASN 57 -0.719 4.559 -7.454 481 HB3 ASN 57 2HB ASN 57 -1.443 3.105 -8.103 482 HD21 ASN 57 1HD2 ASN 57 -3.421 3.071 -6.892 483 HD22 ASN 57 2HD2 ASN 57 -3.480 3.239 -5.180 484 H ARG 58 H ARG 58 1.436 1.414 -5.245 485 HA ARG 58 HA ARG 58 2.148 3.849 -3.777 486 HB2 ARG 58 1HB ARG 58 1.288 1.479 -2.822 487 HB3 ARG 58 2HB ARG 58 3.034 1.169 -2.724 488 HG2 ARG 58 1HG ARG 58 3.161 3.528 -1.562 489 HG3 ARG 58 2HG ARG 58 1.407 3.429 -1.495 490 HD2 ARG 58 1HD ARG 58 1.904 1.139 -0.259 491 HD3 ARG 58 2HD ARG 58 3.504 1.851 0.021 492 HE ARG 58 HE ARG 58 1.169 3.541 0.577 493 HH11 ARG 58 1HH1 ARG 58 3.441 1.244 2.327 494 HH12 ARG 58 2HH1 ARG 58 3.000 1.988 3.808 495 HH21 ARG 58 1HH2 ARG 58 0.642 4.259 2.577 496 HH22 ARG 58 2HH2 ARG 58 1.207 3.413 3.962 497 H ARG 59 H ARG 59 3.835 1.922 -6.048 498 HA ARG 59 HA ARG 59 6.194 1.446 -4.657 499 HB2 ARG 59 1HB ARG 59 5.775 1.729 -7.658 500 HB3 ARG 59 2HB ARG 59 7.260 1.118 -6.911 501 HG2 ARG 59 1HG ARG 59 5.903 -0.614 -5.708 502 HG3 ARG 59 2HG ARG 59 4.483 -0.125 -6.631 503 HD2 ARG 59 1HD ARG 59 7.098 -1.133 -7.835 504 HD3 ARG 59 2HD ARG 59 5.668 -2.129 -7.548 505 HE ARG 59 HE ARG 59 4.883 0.127 -9.088 506 HH11 ARG 59 1HH1 ARG 59 6.705 -2.955 -9.445 507 HH12 ARG 59 2HH1 ARG 59 6.550 -2.947 -11.167 508 HH21 ARG 59 1HH2 ARG 59 4.810 0.124 -11.374 509 HH22 ARG 59 2HH2 ARG 59 5.483 -1.220 -12.268 510 H ALA 60 H ALA 60 5.309 4.529 -6.010 511 HA ALA 60 HA ALA 60 8.094 5.498 -6.126 512 HB1 ALA 60 1HB ALA 60 5.489 7.042 -6.241 513 HB2 ALA 60 2HB ALA 60 7.105 7.629 -6.674 514 HB3 ALA 60 3HB ALA 60 6.345 6.360 -7.654 515 H LYS 61 H LYS 61 5.832 5.014 -3.565 516 HA LYS 61 HA LYS 61 5.844 7.375 -2.185 517 HB2 LYS 61 1HB LYS 61 4.400 5.573 -1.700 518 HB3 LYS 61 2HB LYS 61 5.701 4.486 -1.270 519 HG2 LYS 61 1HG LYS 61 5.241 7.021 0.339 520 HG3 LYS 61 2HG LYS 61 4.144 5.651 0.521 521 HD2 LYS 61 1HD LYS 61 6.001 4.172 1.161 522 HD3 LYS 61 2HD LYS 61 7.130 5.516 0.987 523 HE2 LYS 61 1HE LYS 61 6.755 5.444 3.276 524 HE3 LYS 61 2HE LYS 61 5.784 6.798 2.704 525 HZ1 LYS 61 3HZ LYS 61 4.798 4.093 3.414 526 HZ2 LYS 61 1HZ LYS 61 3.825 5.339 2.843 527 HZ3 LYS 61 2HZ LYS 61 4.606 5.460 4.278 528 H TRP 62 H TRP 62 8.222 4.734 -1.611 529 HA TRP 62 HA TRP 62 9.867 6.345 0.124 530 HB2 TRP 62 1HB TRP 62 10.796 3.932 -1.437 531 HB3 TRP 62 2HB TRP 62 11.317 4.487 0.144 532 HD1 TRP 62 HD TRP 62 9.507 4.073 2.194 533 HE1 TRP 62 1HE TRP 62 7.651 2.332 2.526 534 HE3 TRP 62 3HE TRP 62 9.173 2.353 -2.608 535 HZ2 TRP 62 2HZ TRP 62 6.235 0.408 0.907 536 HZ3 TRP 62 3HZ TRP 62 7.573 0.571 -3.188 537 HH2 TRP 62 HH TRP 62 6.075 -0.408 -1.446 538 H LYS 63 H LYS 63 9.828 5.860 -3.447 539 HA LYS 63 HA LYS 63 12.478 6.919 -3.868 540 HB2 LYS 63 1HB LYS 63 10.116 6.123 -5.562 541 HB3 LYS 63 2HB LYS 63 11.257 7.262 -6.228 542 HG2 LYS 63 1HG LYS 63 11.899 5.048 -6.905 543 HG3 LYS 63 2HG LYS 63 13.136 5.704 -5.828 544 HD2 LYS 63 1HD LYS 63 12.286 4.326 -3.960 545 HD3 LYS 63 2HD LYS 63 10.937 3.760 -4.978 546 HE2 LYS 63 1HE LYS 63 12.626 2.838 -6.592 547 HE3 LYS 63 2HE LYS 63 13.916 3.301 -5.480 548 HZ1 LYS 63 3HZ LYS 63 13.293 0.986 -5.243 549 HZ2 LYS 63 1HZ LYS 63 11.736 1.380 -4.904 550 HZ3 LYS 63 2HZ LYS 63 12.918 1.780 -3.844 551 H ARG 64 H ARG 64 9.245 8.497 -3.514 552 HA ARG 64 HA ARG 64 10.028 11.049 -4.305 553 HB2 ARG 64 1HB ARG 64 7.845 9.814 -3.083 554 HB3 ARG 64 2HB ARG 64 8.364 10.966 -1.859 555 HG2 ARG 64 1HG ARG 64 8.068 11.812 -4.785 556 HG3 ARG 64 2HG ARG 64 6.681 11.536 -3.754 557 HD2 ARG 64 1HD ARG 64 7.528 13.240 -2.129 558 HD3 ARG 64 2HD ARG 64 8.971 13.468 -3.115 559 HE ARG 64 HE ARG 64 7.871 14.787 -4.574 560 HH11 ARG 64 1HH1 ARG 64 5.512 13.706 -2.088 561 HH12 ARG 64 2HH1 ARG 64 4.403 14.968 -2.553 562 HH21 ARG 64 1HH2 ARG 64 6.359 16.336 -5.060 563 HH22 ARG 64 2HH2 ARG 64 4.862 16.438 -4.181 564 H ILE 65 H ILE 65 11.520 9.262 -1.779 565 HA ILE 65 HA ILE 65 12.782 11.744 -0.766 566 HB ILE 65 HB ILE 65 12.229 9.205 0.828 567 HG12 ILE 65 1HG1 ILE 65 10.812 11.903 0.744 568 HG13 ILE 65 2HG1 ILE 65 10.108 10.334 0.340 569 HG21 ILE 65 1HG2 ILE 65 14.241 10.499 1.548 570 HG22 ILE 65 2HG2 ILE 65 13.239 11.964 1.687 571 HG23 ILE 65 3HG2 ILE 65 12.959 10.580 2.744 572 HD11 ILE 65 3HD1 ILE 65 9.256 11.026 2.427 573 HD12 ILE 65 1HD1 ILE 65 10.326 9.633 2.692 574 HD13 ILE 65 2HD1 ILE 65 10.863 11.288 3.108 575 H LYS 66 H LYS 66 13.142 8.357 -1.770 576 HA LYS 66 HA LYS 66 16.063 8.445 -1.687 577 HB2 LYS 66 1HB LYS 66 14.266 6.491 -1.162 578 HB3 LYS 66 2HB LYS 66 14.470 6.152 -2.861 579 HG2 LYS 66 1HG LYS 66 16.618 6.199 -0.711 580 HG3 LYS 66 2HG LYS 66 15.926 4.780 -1.479 581 HD2 LYS 66 1HD LYS 66 16.942 5.495 -3.656 582 HD3 LYS 66 2HD LYS 66 17.719 6.854 -2.803 583 HE2 LYS 66 1HE LYS 66 18.813 5.229 -1.259 584 HE3 LYS 66 2HE LYS 66 18.074 3.890 -2.147 585 HZ1 LYS 66 3HZ LYS 66 20.309 4.239 -2.821 586 HZ2 LYS 66 1HZ LYS 66 20.057 5.800 -3.238 587 HZ3 LYS 66 2HZ LYS 66 19.336 4.618 -4.108 588 H ALA 67 H ALA 67 15.366 10.481 -3.378 589 HA ALA 67 HA ALA 67 16.379 9.580 -5.943 590 HB1 ALA 67 1HB ALA 67 13.750 11.110 -5.740 591 HB2 ALA 67 2HB ALA 67 14.601 10.677 -7.246 592 HB3 ALA 67 3HB ALA 67 13.920 9.409 -6.245 593 H GLY 68 H GLY 68 15.961 12.005 -7.251 594 HA2 GLY 68 1HA GLY 68 17.779 13.856 -5.879 595 HA3 GLY 68 2HA GLY 68 17.306 13.854 -7.578 596 H ASN 69 H ASN 69 14.749 13.333 -5.238 597 HA ASN 69 HA ASN 69 13.887 16.165 -5.486 598 HB2 ASN 69 1HB ASN 69 12.215 14.013 -5.726 599 HB3 ASN 69 2HB ASN 69 12.214 14.232 -3.960 600 HD21 ASN 69 1HD2 ASN 69 10.581 15.851 -3.160 601 HD22 ASN 69 2HD2 ASN 69 10.140 17.146 -4.180 602 H VAL 70 H VAL 70 12.742 16.713 -3.214 603 HA VAL 70 HA VAL 70 13.675 15.661 -0.811 604 HB VAL 70 HB VAL 70 15.800 16.664 -1.215 605 HG11 VAL 70 1HG1 VAL 70 15.336 17.993 -3.178 606 HG12 VAL 70 2HG1 VAL 70 14.398 19.158 -2.208 607 HG13 VAL 70 3HG1 VAL 70 16.153 18.976 -1.974 608 HG21 VAL 70 3HG2 VAL 70 14.981 17.182 1.002 609 HG22 VAL 70 1HG2 VAL 70 15.962 18.510 0.379 610 HG23 VAL 70 2HG2 VAL 70 14.205 18.676 0.397 611 H SER 71 H SER 71 12.015 16.270 0.546 612 HA SER 71 HA SER 71 9.991 17.045 1.204 613 HB2 SER 71 1HB SER 71 10.481 19.507 -0.520 614 HB3 SER 71 2HB SER 71 9.294 19.326 0.773 615 HG SER 71 HG SER 71 11.830 20.100 0.979 Start of MODEL 19 1 H1 SER 1 H SER 1 -24.784 7.301 20.498 2 HA SER 1 HA SER 1 -25.524 9.500 18.657 3 HB2 SER 1 1HB SER 1 -24.737 9.790 21.582 4 HB3 SER 1 2HB SER 1 -25.197 11.103 20.456 5 HG SER 1 HG SER 1 -26.994 10.489 21.702 6 H ALA 2 H ALA 2 -23.611 10.589 17.706 7 HA ALA 2 HA ALA 2 -21.019 9.739 18.735 8 HB1 ALA 2 1HB ALA 2 -21.587 7.893 17.222 9 HB2 ALA 2 2HB ALA 2 -22.068 9.036 15.955 10 HB3 ALA 2 3HB ALA 2 -20.370 8.913 16.420 11 HA PRO 3 HA PRO 3 -19.870 13.782 17.173 12 HB2 PRO 3 1HB PRO 3 -17.175 13.444 16.811 13 HB3 PRO 3 2HB PRO 3 -17.934 13.464 18.432 14 HG2 PRO 3 1HG PRO 3 -17.257 11.052 16.699 15 HG3 PRO 3 2HG PRO 3 -16.740 11.347 18.382 16 HD2 PRO 3 1HD PRO 3 -18.918 9.861 17.847 17 HD3 PRO 3 2HD PRO 3 -18.962 11.035 19.199 18 H GLY 4 H GLY 4 -18.352 14.625 15.189 19 HA2 GLY 4 1HA GLY 4 -17.781 12.734 13.147 20 HA3 GLY 4 2HA GLY 4 -19.147 13.755 12.655 21 H GLY 5 H GLY 5 -16.446 13.644 11.485 22 HA2 GLY 5 1HA GLY 5 -16.102 16.408 10.964 23 HA3 GLY 5 2HA GLY 5 -14.822 15.851 12.063 24 H LYS 6 H LYS 6 -14.389 16.703 9.358 25 HA LYS 6 HA LYS 6 -12.717 14.742 8.311 26 HB2 LYS 6 1HB LYS 6 -13.894 14.243 6.116 27 HB3 LYS 6 2HB LYS 6 -14.388 13.324 7.520 28 HG2 LYS 6 1HG LYS 6 -16.467 14.315 7.662 29 HG3 LYS 6 2HG LYS 6 -15.998 15.786 6.803 30 HD2 LYS 6 1HD LYS 6 -15.848 14.469 4.686 31 HD3 LYS 6 2HD LYS 6 -16.407 13.033 5.570 32 HE2 LYS 6 1HE LYS 6 -18.490 14.237 6.174 33 HE3 LYS 6 2HE LYS 6 -17.949 15.663 5.265 34 HZ1 LYS 6 3HZ LYS 6 -18.303 12.987 4.045 35 HZ2 LYS 6 1HZ LYS 6 -18.147 14.413 3.241 36 HZ3 LYS 6 2HZ LYS 6 -19.493 14.069 4.097 37 H SER 7 H SER 7 -11.371 16.593 8.167 38 HA SER 7 HA SER 7 -11.626 17.807 5.489 39 HB2 SER 7 1HB SER 7 -11.021 19.470 7.955 40 HB3 SER 7 2HB SER 7 -10.876 20.014 6.284 41 HG SER 7 HG SER 7 -13.022 19.966 7.821 42 H ARG 8 H ARG 8 -10.082 16.053 5.050 43 HA ARG 8 HA ARG 8 -7.359 17.114 5.257 44 HB2 ARG 8 1HB ARG 8 -7.814 15.477 7.191 45 HB3 ARG 8 2HB ARG 8 -7.971 14.201 5.988 46 HG2 ARG 8 1HG ARG 8 -5.501 15.962 6.021 47 HG3 ARG 8 2HG ARG 8 -5.691 14.749 7.274 48 HD2 ARG 8 1HD ARG 8 -5.989 13.937 4.376 49 HD3 ARG 8 2HD ARG 8 -4.392 14.165 5.100 50 HE ARG 8 HE ARG 8 -6.091 12.482 6.734 51 HH11 ARG 8 1HH1 ARG 8 -3.930 12.513 3.959 52 HH12 ARG 8 2HH1 ARG 8 -3.425 10.851 4.139 53 HH21 ARG 8 1HH2 ARG 8 -5.312 10.327 7.066 54 HH22 ARG 8 2HH2 ARG 8 -4.337 9.535 5.881 55 H ARG 9 H ARG 9 -6.087 16.335 3.275 56 HA ARG 9 HA ARG 9 -7.946 15.953 1.101 57 HB2 ARG 9 1HB ARG 9 -4.906 15.681 1.017 58 HB3 ARG 9 2HB ARG 9 -6.008 15.704 -0.350 59 HG2 ARG 9 1HG ARG 9 -6.696 18.076 0.800 60 HG3 ARG 9 2HG ARG 9 -5.023 17.972 1.292 61 HD2 ARG 9 1HD ARG 9 -6.171 18.048 -1.511 62 HD3 ARG 9 2HD ARG 9 -5.102 19.228 -0.740 63 HE ARG 9 HE ARG 9 -3.878 16.605 -1.015 64 HH11 ARG 9 1HH1 ARG 9 -4.462 19.656 -2.834 65 HH12 ARG 9 2HH1 ARG 9 -3.377 19.189 -4.090 66 HH21 ARG 9 1HH2 ARG 9 -2.327 16.157 -2.677 67 HH22 ARG 9 2HH2 ARG 9 -2.201 17.252 -4.012 68 H ARG 10 H ARG 10 -8.523 14.201 0.033 69 HA ARG 10 HA ARG 10 -7.271 11.561 0.629 70 HB2 ARG 10 1HB ARG 10 -9.412 11.887 1.867 71 HB3 ARG 10 2HB ARG 10 -10.237 12.212 0.347 72 HG2 ARG 10 1HG ARG 10 -10.739 9.964 0.788 73 HG3 ARG 10 2HG ARG 10 -9.463 9.893 -0.413 74 HD2 ARG 10 1HD ARG 10 -8.918 8.249 1.209 75 HD3 ARG 10 2HD ARG 10 -7.811 9.586 1.495 76 HE ARG 10 HE ARG 10 -10.360 9.503 3.001 77 HH11 ARG 10 1HH1 ARG 10 -6.813 9.304 3.190 78 HH12 ARG 10 2HH1 ARG 10 -6.793 9.005 4.899 79 HH21 ARG 10 1HH2 ARG 10 -10.318 9.138 5.291 80 HH22 ARG 10 2HH2 ARG 10 -8.790 9.000 6.101 81 H ARG 11 H ARG 11 -6.208 11.122 -1.288 82 HA ARG 11 HA ARG 11 -7.669 11.591 -3.828 83 HB2 ARG 11 1HB ARG 11 -5.320 12.505 -3.408 84 HB3 ARG 11 2HB ARG 11 -4.767 10.840 -3.540 85 HG2 ARG 11 1HG ARG 11 -4.430 11.818 -5.665 86 HG3 ARG 11 2HG ARG 11 -5.835 10.806 -5.910 87 HD2 ARG 11 1HD ARG 11 -5.979 13.783 -5.314 88 HD3 ARG 11 2HD ARG 11 -5.777 13.130 -6.945 89 HE ARG 11 HE ARG 11 -8.064 11.895 -5.809 90 HH11 ARG 11 1HH1 ARG 11 -7.096 15.228 -6.693 91 HH12 ARG 11 2HH1 ARG 11 -8.635 15.552 -7.447 92 HH21 ARG 11 1HH2 ARG 11 -10.122 12.461 -6.658 93 HH22 ARG 11 2HH2 ARG 11 -10.427 14.062 -7.195 94 H THR 12 H THR 12 -8.567 9.424 -2.076 95 HA THR 12 HA THR 12 -8.250 7.239 -3.973 96 HB THR 12 HB THR 12 -8.024 6.594 -1.001 97 HG1 THR 12 1HG THR 12 -5.838 6.749 -2.802 98 HG21 THR 12 3HG2 THR 12 -7.497 5.076 -3.540 99 HG22 THR 12 1HG2 THR 12 -8.679 4.719 -2.275 100 HG23 THR 12 2HG2 THR 12 -6.956 4.528 -1.935 101 H ALA 13 H ALA 13 -10.056 5.705 -3.731 102 HA ALA 13 HA ALA 13 -12.507 6.961 -2.821 103 HB1 ALA 13 1HB ALA 13 -11.836 4.207 -3.953 104 HB2 ALA 13 2HB ALA 13 -13.474 4.814 -3.751 105 HB3 ALA 13 3HB ALA 13 -12.380 5.617 -4.898 106 H PHE 14 H PHE 14 -10.425 6.078 -0.794 107 HA PHE 14 HA PHE 14 -12.114 4.215 0.854 108 HB2 PHE 14 1HB PHE 14 -9.096 4.342 0.910 109 HB3 PHE 14 2HB PHE 14 -10.136 3.160 1.705 110 HD1 PHE 14 2HD PHE 14 -11.964 2.355 -0.570 111 HD2 PHE 14 1HD PHE 14 -7.696 2.976 -0.346 112 HE1 PHE 14 2HE PHE 14 -11.614 0.687 -2.340 113 HE2 PHE 14 1HE PHE 14 -7.347 1.388 -2.160 114 HZ PHE 14 HZ PHE 14 -9.257 0.142 -3.114 115 H THR 15 H THR 15 -10.857 4.273 3.216 116 HA THR 15 HA THR 15 -10.873 7.071 4.187 117 HB THR 15 HB THR 15 -12.367 6.229 5.959 118 HG1 THR 15 1HG THR 15 -13.215 3.948 4.975 119 HG21 THR 15 3HG2 THR 15 -14.418 5.837 4.709 120 HG22 THR 15 1HG2 THR 15 -13.544 5.400 3.249 121 HG23 THR 15 2HG2 THR 15 -13.473 7.072 3.849 122 H SER 16 H SER 16 -9.841 7.003 6.563 123 HA SER 16 HA SER 16 -7.354 5.643 6.325 124 HB2 SER 16 1HB SER 16 -8.395 6.629 8.968 125 HB3 SER 16 2HB SER 16 -6.755 6.688 8.290 126 HG SER 16 HG SER 16 -7.947 8.664 8.434 127 H GLU 17 H GLU 17 -10.380 4.892 8.065 128 HA GLU 17 HA GLU 17 -9.554 2.680 9.575 129 HB2 GLU 17 1HB GLU 17 -11.987 2.286 9.662 130 HB3 GLU 17 2HB GLU 17 -11.495 3.923 10.082 131 HG2 GLU 17 1HG GLU 17 -12.078 4.618 7.782 132 HG3 GLU 17 2HG GLU 17 -12.734 3.010 7.491 133 H GLN 18 H GLN 18 -10.858 2.887 6.205 134 HA GLN 18 HA GLN 18 -10.691 0.035 5.787 135 HB2 GLN 18 1HB GLN 18 -11.004 2.469 3.997 136 HB3 GLN 18 2HB GLN 18 -10.853 0.862 3.305 137 HG2 GLN 18 1HG GLN 18 -12.848 0.066 4.294 138 HG3 GLN 18 2HG GLN 18 -12.880 1.346 5.499 139 HE21 GLN 18 1HE2 GLN 18 -13.164 0.938 1.854 140 HE22 GLN 18 2HE2 GLN 18 -14.209 2.365 1.746 141 H LEU 19 H LEU 19 -8.301 2.534 5.746 142 HA LEU 19 HA LEU 19 -6.401 1.097 4.020 143 HB2 LEU 19 1HB LEU 19 -6.600 3.753 5.393 144 HB3 LEU 19 2HB LEU 19 -4.984 3.102 5.230 145 HG LEU 19 HG LEU 19 -4.902 3.276 2.954 146 HD11 LEU 19 1HD1 LEU 19 -6.930 2.191 2.192 147 HD12 LEU 19 2HD1 LEU 19 -6.824 3.804 1.473 148 HD13 LEU 19 3HD1 LEU 19 -7.928 3.503 2.841 149 HD21 LEU 19 3HD2 LEU 19 -6.752 5.563 3.783 150 HD22 LEU 19 1HD2 LEU 19 -5.563 5.590 2.463 151 HD23 LEU 19 2HD2 LEU 19 -5.020 5.487 4.153 152 H LEU 20 H LEU 20 -7.384 0.703 7.307 153 HA LEU 20 HA LEU 20 -4.724 0.889 8.425 154 HB2 LEU 20 1HB LEU 20 -7.396 0.976 9.370 155 HB3 LEU 20 2HB LEU 20 -6.739 -0.451 10.136 156 HG LEU 20 HG LEU 20 -5.271 2.255 10.111 157 HD11 LEU 20 1HD1 LEU 20 -6.161 2.649 12.346 158 HD12 LEU 20 2HD1 LEU 20 -7.166 1.200 12.238 159 HD13 LEU 20 3HD1 LEU 20 -7.477 2.575 11.158 160 HD21 LEU 20 3HD2 LEU 20 -4.084 1.325 12.024 161 HD22 LEU 20 1HD2 LEU 20 -3.885 0.239 10.646 162 HD23 LEU 20 2HD2 LEU 20 -5.024 -0.169 11.949 163 H GLU 21 H GLU 21 -7.061 -1.731 8.036 164 HA GLU 21 HA GLU 21 -5.407 -3.990 8.494 165 HB2 GLU 21 1HB GLU 21 -7.775 -3.546 6.644 166 HB3 GLU 21 2HB GLU 21 -7.139 -5.135 7.054 167 HG2 GLU 21 1HG GLU 21 -8.202 -3.182 9.168 168 HG3 GLU 21 2HG GLU 21 -9.207 -4.340 8.344 169 H LEU 22 H LEU 22 -6.007 -2.002 5.675 170 HA LEU 22 HA LEU 22 -4.873 -3.589 3.644 171 HB2 LEU 22 1HB LEU 22 -6.160 -1.137 3.894 172 HB3 LEU 22 2HB LEU 22 -4.561 -0.614 3.377 173 HG LEU 22 HG LEU 22 -6.199 -2.742 1.961 174 HD11 LEU 22 1HD1 LEU 22 -7.058 -1.052 0.475 175 HD12 LEU 22 2HD1 LEU 22 -6.033 0.209 1.214 176 HD13 LEU 22 3HD1 LEU 22 -7.377 -0.510 2.118 177 HD21 LEU 22 3HD2 LEU 22 -3.744 -2.620 1.521 178 HD22 LEU 22 1HD2 LEU 22 -3.985 -1.012 0.843 179 HD23 LEU 22 2HD2 LEU 22 -4.779 -2.449 0.109 180 H GLU 23 H GLU 23 -3.414 -1.026 5.573 181 HA GLU 23 HA GLU 23 -0.740 -1.459 4.417 182 HB2 GLU 23 1HB GLU 23 -1.864 0.243 6.658 183 HB3 GLU 23 2HB GLU 23 -0.122 0.104 6.416 184 HG2 GLU 23 1HG GLU 23 -0.369 0.858 4.062 185 HG3 GLU 23 2HG GLU 23 -2.133 0.927 4.264 186 H LYS 24 H LYS 24 -2.482 -2.638 7.251 187 HA LYS 24 HA LYS 24 -0.283 -3.550 8.769 188 HB2 LYS 24 1HB LYS 24 -2.361 -3.331 9.760 189 HB3 LYS 24 2HB LYS 24 -3.195 -4.188 8.490 190 HG2 LYS 24 1HG LYS 24 -2.483 -6.337 9.297 191 HG3 LYS 24 2HG LYS 24 -1.481 -5.568 10.553 192 HD2 LYS 24 1HD LYS 24 -3.477 -4.492 11.524 193 HD3 LYS 24 2HD LYS 24 -4.465 -5.066 10.180 194 HE2 LYS 24 1HE LYS 24 -4.082 -7.405 10.923 195 HE3 LYS 24 2HE LYS 24 -3.289 -6.789 12.381 196 HZ1 LYS 24 3HZ LYS 24 -6.022 -5.953 11.562 197 HZ2 LYS 24 1HZ LYS 24 -5.362 -5.784 13.044 198 HZ3 LYS 24 2HZ LYS 24 -5.779 -7.264 12.500 199 H GLU 25 H GLU 25 -1.876 -5.043 5.980 200 HA GLU 25 HA GLU 25 -0.317 -7.487 6.094 201 HB2 GLU 25 1HB GLU 25 -2.414 -6.276 4.399 202 HB3 GLU 25 2HB GLU 25 -1.194 -7.044 3.425 203 HG2 GLU 25 1HG GLU 25 -3.042 -8.583 3.990 204 HG3 GLU 25 2HG GLU 25 -1.473 -9.176 4.557 205 H PHE 26 H PHE 26 0.750 -4.360 5.327 206 HA PHE 26 HA PHE 26 2.815 -5.396 3.446 207 HB2 PHE 26 1HB PHE 26 1.777 -2.668 4.139 208 HB3 PHE 26 2HB PHE 26 3.471 -2.809 3.756 209 HD1 PHE 26 2HD PHE 26 0.367 -4.500 2.342 210 HD2 PHE 26 1HD PHE 26 3.878 -2.084 1.601 211 HE1 PHE 26 2HE PHE 26 -0.006 -4.695 -0.086 212 HE2 PHE 26 1HE PHE 26 3.433 -2.227 -0.853 213 HZ PHE 26 HZ PHE 26 1.544 -3.590 -1.698 214 H HIS 27 H HIS 27 2.411 -5.449 6.741 215 HA HIS 27 HA HIS 27 5.150 -4.686 7.442 216 HB2 HIS 27 1HB HIS 27 2.815 -4.529 8.761 217 HB3 HIS 27 2HB HIS 27 3.287 -6.131 9.309 218 HD1 HIS 27 1HD HIS 27 5.453 -6.106 11.111 219 HD2 HIS 27 2HD HIS 27 4.225 -2.408 9.458 220 HE1 HIS 27 1HE HIS 27 6.491 -4.304 12.531 221 H CYS 28 H CYS 28 3.198 -7.719 7.323 222 HA CYS 28 HA CYS 28 5.513 -9.267 8.249 223 HB2 CYS 28 1HB CYS 28 2.537 -9.793 8.038 224 HB3 CYS 28 2HB CYS 28 3.699 -11.005 8.587 225 HG CYS 28 HG CYS 28 4.686 -9.664 10.583 226 H LYS 29 H LYS 29 4.177 -8.604 5.211 227 HA LYS 29 HA LYS 29 5.656 -10.740 3.884 228 HB2 LYS 29 1HB LYS 29 3.582 -11.424 2.572 229 HB3 LYS 29 2HB LYS 29 3.764 -12.051 4.195 230 HG2 LYS 29 1HG LYS 29 1.722 -11.400 4.736 231 HG3 LYS 29 2HG LYS 29 2.181 -9.724 4.558 232 HD2 LYS 29 1HD LYS 29 0.215 -10.101 3.264 233 HD3 LYS 29 2HD LYS 29 1.557 -9.769 2.171 234 HE2 LYS 29 1HE LYS 29 0.251 -11.576 1.243 235 HE3 LYS 29 2HE LYS 29 1.805 -12.226 1.755 236 HZ1 LYS 29 3HZ LYS 29 0.632 -13.044 3.785 237 HZ2 LYS 29 1HZ LYS 29 0.029 -13.656 2.380 238 HZ3 LYS 29 2HZ LYS 29 -0.786 -12.514 3.196 239 H LYS 30 H LYS 30 6.794 -9.472 2.549 240 HA LYS 30 HA LYS 30 5.632 -7.059 1.449 241 HB2 LYS 30 1HB LYS 30 8.179 -7.768 2.056 242 HB3 LYS 30 2HB LYS 30 8.238 -8.100 0.336 243 HG2 LYS 30 1HG LYS 30 7.294 -5.475 1.612 244 HG3 LYS 30 2HG LYS 30 8.953 -5.771 1.085 245 HD2 LYS 30 1HD LYS 30 8.349 -5.877 -1.223 246 HD3 LYS 30 2HD LYS 30 6.634 -5.951 -0.870 247 HE2 LYS 30 1HE LYS 30 8.314 -3.523 -0.217 248 HE3 LYS 30 2HE LYS 30 7.405 -3.759 -1.719 249 HZ1 LYS 30 3HZ LYS 30 6.041 -2.531 -0.203 250 HZ2 LYS 30 1HZ LYS 30 6.250 -3.605 0.992 251 HZ3 LYS 30 2HZ LYS 30 5.393 -4.043 -0.361 252 H TYR 31 H TYR 31 4.017 -9.277 0.680 253 HA TYR 31 HA TYR 31 3.922 -8.956 -2.154 254 HB2 TYR 31 1HB TYR 31 4.176 -11.474 -2.606 255 HB3 TYR 31 2HB TYR 31 5.610 -10.475 -2.457 256 HD1 TYR 31 1HD TYR 31 7.148 -10.671 -0.547 257 HD2 TYR 31 2HD TYR 31 3.664 -13.201 -0.869 258 HE1 TYR 31 1HE TYR 31 7.941 -11.971 1.365 259 HE2 TYR 31 2HE TYR 31 4.557 -14.618 0.980 260 HH TYR 31 HH TYR 31 7.515 -13.793 2.777 261 H LEU 32 H LEU 32 1.716 -8.487 -1.979 262 HA LEU 32 HA LEU 32 -0.063 -10.352 -0.570 263 HB2 LEU 32 1HB LEU 32 -0.572 -8.101 -2.528 264 HB3 LEU 32 2HB LEU 32 -1.838 -9.229 -2.031 265 HG LEU 32 HG LEU 32 -0.218 -7.518 -0.093 266 HD11 LEU 32 1HD1 LEU 32 -1.671 -6.204 -1.558 267 HD12 LEU 32 2HD1 LEU 32 -2.330 -6.257 0.076 268 HD13 LEU 32 3HD1 LEU 32 -3.059 -7.245 -1.181 269 HD21 LEU 32 3HD2 LEU 32 -2.004 -8.100 1.537 270 HD22 LEU 32 1HD2 LEU 32 -1.136 -9.552 1.056 271 HD23 LEU 32 2HD2 LEU 32 -2.745 -9.182 0.366 272 H SER 33 H SER 33 -0.489 -12.215 -1.207 273 HA SER 33 HA SER 33 -0.538 -13.193 -3.980 274 HB2 SER 33 1HB SER 33 1.031 -14.111 -1.528 275 HB3 SER 33 2HB SER 33 0.464 -15.294 -2.685 276 HG SER 33 HG SER 33 2.595 -14.475 -3.083 277 H LEU 34 H LEU 34 -1.598 -15.649 -3.482 278 HA LEU 34 HA LEU 34 -3.412 -16.844 -2.740 279 HB2 LEU 34 1HB LEU 34 -1.642 -17.095 -1.145 280 HB3 LEU 34 2HB LEU 34 -2.288 -15.819 -0.144 281 HG LEU 34 HG LEU 34 -2.633 -18.315 0.462 282 HD11 LEU 34 1HD1 LEU 34 -4.179 -17.697 1.977 283 HD12 LEU 34 2HD1 LEU 34 -5.289 -17.074 0.753 284 HD13 LEU 34 3HD1 LEU 34 -3.963 -16.067 1.268 285 HD21 LEU 34 3HD2 LEU 34 -4.613 -19.437 -0.324 286 HD22 LEU 34 1HD2 LEU 34 -3.608 -19.047 -1.733 287 HD23 LEU 34 2HD2 LEU 34 -5.045 -18.088 -1.367 288 H THR 35 H THR 35 -4.238 -14.420 -3.700 289 HA THR 35 HA THR 35 -5.867 -12.853 -3.646 290 HB THR 35 HB THR 35 -6.916 -15.097 -4.095 291 HG1 THR 35 1HG THR 35 -8.914 -14.223 -4.275 292 HG21 THR 35 3HG2 THR 35 -8.804 -15.722 -2.505 293 HG22 THR 35 1HG2 THR 35 -7.935 -14.760 -1.246 294 HG23 THR 35 2HG2 THR 35 -7.180 -16.165 -1.998 295 H GLU 36 H GLU 36 -4.220 -12.906 -1.109 296 HA GLU 36 HA GLU 36 -5.746 -12.248 1.167 297 HB2 GLU 36 1HB GLU 36 -2.984 -11.449 0.184 298 HB3 GLU 36 2HB GLU 36 -3.584 -11.043 1.797 299 HG2 GLU 36 1HG GLU 36 -3.842 -13.910 0.952 300 HG3 GLU 36 2HG GLU 36 -2.216 -13.303 1.218 301 H ARG 37 H ARG 37 -4.745 -10.635 -1.554 302 HA ARG 37 HA ARG 37 -5.196 -7.882 -0.867 303 HB2 ARG 37 1HB ARG 37 -4.873 -7.341 -3.123 304 HB3 ARG 37 2HB ARG 37 -4.052 -8.895 -2.948 305 HG2 ARG 37 1HG ARG 37 -6.165 -9.999 -3.887 306 HG3 ARG 37 2HG ARG 37 -6.742 -8.356 -4.225 307 HD2 ARG 37 1HD ARG 37 -5.764 -8.617 -6.231 308 HD3 ARG 37 2HD ARG 37 -4.261 -8.255 -5.377 309 HE ARG 37 HE ARG 37 -5.220 -11.066 -5.550 310 HH11 ARG 37 1HH1 ARG 37 -3.318 -8.639 -7.317 311 HH12 ARG 37 2HH1 ARG 37 -2.097 -9.801 -7.796 312 HH21 ARG 37 1HH2 ARG 37 -3.517 -12.562 -6.191 313 HH22 ARG 37 2HH2 ARG 37 -2.300 -11.973 -7.293 314 H SER 38 H SER 38 -7.390 -10.430 -1.869 315 HA SER 38 HA SER 38 -9.630 -8.630 -2.294 316 HB2 SER 38 1HB SER 38 -9.456 -11.648 -2.469 317 HB3 SER 38 2HB SER 38 -10.713 -10.578 -3.113 318 HG SER 38 HG SER 38 -9.141 -11.306 -4.649 319 H GLN 39 H GLN 39 -8.082 -10.033 0.391 320 HA GLN 39 HA GLN 39 -10.526 -10.751 1.869 321 HB2 GLN 39 1HB GLN 39 -7.718 -10.177 2.942 322 HB3 GLN 39 2HB GLN 39 -9.131 -10.580 3.906 323 HG2 GLN 39 1HG GLN 39 -9.292 -12.607 2.137 324 HG3 GLN 39 2HG GLN 39 -7.567 -12.348 2.056 325 HE21 GLN 39 1HE2 GLN 39 -6.353 -13.710 3.626 326 HE22 GLN 39 2HE2 GLN 39 -7.333 -14.538 4.809 327 H ILE 40 H ILE 40 -8.294 -7.916 1.889 328 HA ILE 40 HA ILE 40 -9.917 -6.243 3.455 329 HB ILE 40 HB ILE 40 -8.397 -5.213 1.022 330 HG12 ILE 40 1HG1 ILE 40 -6.596 -4.820 3.065 331 HG13 ILE 40 2HG1 ILE 40 -7.308 -6.336 3.587 332 HG21 ILE 40 1HG2 ILE 40 -8.248 -3.164 2.210 333 HG22 ILE 40 2HG2 ILE 40 -9.908 -3.677 2.490 334 HG23 ILE 40 3HG2 ILE 40 -8.676 -3.903 3.746 335 HD11 ILE 40 3HD1 ILE 40 -5.949 -5.720 0.913 336 HD12 ILE 40 1HD1 ILE 40 -5.360 -6.818 2.185 337 HD13 ILE 40 2HD1 ILE 40 -6.787 -7.241 1.232 338 H ALA 41 H ALA 41 -10.130 -6.888 -0.029 339 HA ALA 41 HA ALA 41 -12.217 -5.111 -0.708 340 HB1 ALA 41 1HB ALA 41 -11.743 -7.803 -1.995 341 HB2 ALA 41 2HB ALA 41 -12.537 -6.400 -2.686 342 HB3 ALA 41 3HB ALA 41 -10.788 -6.336 -2.354 343 H HIS 42 H HIS 42 -12.469 -8.263 0.949 344 HA HIS 42 HA HIS 42 -15.414 -8.177 0.614 345 HB2 HIS 42 1HB HIS 42 -13.781 -10.216 0.245 346 HB3 HIS 42 2HB HIS 42 -13.911 -10.402 1.983 347 HD1 HIS 42 1HD HIS 42 -15.049 -12.494 -0.202 348 HD2 HIS 42 2HD HIS 42 -17.247 -9.545 1.855 349 HE1 HIS 42 1HE HIS 42 -17.491 -13.152 -0.393 350 H ALA 43 H ALA 43 -12.838 -7.711 3.111 351 HA ALA 43 HA ALA 43 -14.510 -8.630 5.247 352 HB1 ALA 43 1HB ALA 43 -11.727 -7.339 5.196 353 HB2 ALA 43 2HB ALA 43 -12.482 -8.194 6.562 354 HB3 ALA 43 3HB ALA 43 -12.039 -9.087 5.109 355 H LEU 44 H LEU 44 -13.242 -5.565 3.823 356 HA LEU 44 HA LEU 44 -14.361 -4.254 6.156 357 HB2 LEU 44 1HB LEU 44 -12.255 -3.542 4.182 358 HB3 LEU 44 2HB LEU 44 -13.062 -2.218 5.011 359 HG LEU 44 HG LEU 44 -11.877 -4.503 6.590 360 HD11 LEU 44 1HD1 LEU 44 -9.921 -2.744 6.833 361 HD12 LEU 44 2HD1 LEU 44 -10.467 -2.202 5.241 362 HD13 LEU 44 3HD1 LEU 44 -9.961 -3.885 5.493 363 HD21 LEU 44 3HD2 LEU 44 -11.721 -2.816 8.353 364 HD22 LEU 44 1HD2 LEU 44 -13.392 -2.924 7.781 365 HD23 LEU 44 2HD2 LEU 44 -12.353 -1.563 7.259 366 H LYS 45 H LYS 45 -14.040 -2.702 3.018 367 HA LYS 45 HA LYS 45 -16.921 -2.480 2.472 368 HB2 LYS 45 1HB LYS 45 -15.123 -0.149 3.233 369 HB3 LYS 45 2HB LYS 45 -16.709 0.026 2.539 370 HG2 LYS 45 1HG LYS 45 -17.497 0.208 4.550 371 HG3 LYS 45 2HG LYS 45 -17.333 -1.527 4.662 372 HD2 LYS 45 1HD LYS 45 -15.650 -1.392 6.243 373 HD3 LYS 45 2HD LYS 45 -14.897 -0.012 5.451 374 HE2 LYS 45 1HE LYS 45 -15.654 0.854 7.509 375 HE3 LYS 45 2HE LYS 45 -16.789 1.440 6.273 376 HZ1 LYS 45 3HZ LYS 45 -18.153 0.640 7.988 377 HZ2 LYS 45 1HZ LYS 45 -17.189 -0.668 8.286 378 HZ3 LYS 45 2HZ LYS 45 -18.125 -0.649 6.987 379 H LEU 46 H LEU 46 -14.119 -3.239 1.107 380 HA LEU 46 HA LEU 46 -13.912 -1.020 -0.879 381 HB2 LEU 46 1HB LEU 46 -11.916 -3.208 -0.137 382 HB3 LEU 46 2HB LEU 46 -11.680 -1.994 -1.374 383 HG LEU 46 HG LEU 46 -11.830 -0.206 0.405 384 HD11 LEU 46 1HD1 LEU 46 -11.929 -2.695 2.098 385 HD12 LEU 46 2HD1 LEU 46 -12.839 -1.180 2.284 386 HD13 LEU 46 3HD1 LEU 46 -11.122 -1.253 2.728 387 HD21 LEU 46 3HD2 LEU 46 -9.645 -2.327 0.575 388 HD22 LEU 46 1HD2 LEU 46 -9.509 -0.646 1.160 389 HD23 LEU 46 2HD2 LEU 46 -9.689 -0.988 -0.558 390 H SER 47 H SER 47 -12.790 -2.208 -3.055 391 HA SER 47 HA SER 47 -14.360 -4.565 -3.833 392 HB2 SER 47 1HB SER 47 -15.658 -2.554 -4.535 393 HB3 SER 47 2HB SER 47 -14.213 -1.942 -5.381 394 HG SER 47 HG SER 47 -15.900 -3.041 -6.629 395 H GLU 48 H GLU 48 -13.145 -5.788 -5.391 396 HA GLU 48 HA GLU 48 -10.320 -5.648 -5.061 397 HB2 GLU 48 1HB GLU 48 -12.065 -7.117 -7.070 398 HB3 GLU 48 2HB GLU 48 -10.321 -7.352 -6.900 399 HG2 GLU 48 1HG GLU 48 -10.635 -8.031 -4.536 400 HG3 GLU 48 2HG GLU 48 -12.383 -7.798 -4.698 401 H VAL 49 H VAL 49 -12.460 -4.488 -7.619 402 HA VAL 49 HA VAL 49 -10.584 -3.638 -9.540 403 HB VAL 49 HB VAL 49 -13.229 -2.391 -8.644 404 HG11 VAL 49 1HG1 VAL 49 -12.200 -0.637 -9.787 405 HG12 VAL 49 2HG1 VAL 49 -11.412 -1.696 -10.963 406 HG13 VAL 49 3HG1 VAL 49 -13.183 -1.423 -11.022 407 HG21 VAL 49 3HG2 VAL 49 -12.492 -4.557 -10.616 408 HG22 VAL 49 1HG2 VAL 49 -13.788 -4.481 -9.421 409 HG23 VAL 49 2HG2 VAL 49 -13.934 -3.548 -10.896 410 H GLN 50 H GLN 50 -11.700 -1.989 -6.541 411 HA GLN 50 HA GLN 50 -10.280 0.405 -7.218 412 HB2 GLN 50 1HB GLN 50 -12.345 -0.338 -5.452 413 HB3 GLN 50 2HB GLN 50 -11.009 -0.041 -4.379 414 HG2 GLN 50 1HG GLN 50 -12.387 1.801 -6.314 415 HG3 GLN 50 2HG GLN 50 -12.166 2.027 -4.577 416 HE21 GLN 50 1HE2 GLN 50 -9.608 2.325 -3.969 417 HE22 GLN 50 2HE2 GLN 50 -8.679 3.151 -5.205 418 H VAL 51 H VAL 51 -9.682 -2.420 -5.104 419 HA VAL 51 HA VAL 51 -7.361 -1.494 -3.826 420 HB VAL 51 HB VAL 51 -8.416 -4.254 -4.524 421 HG11 VAL 51 1HG1 VAL 51 -6.062 -3.654 -2.690 422 HG12 VAL 51 2HG1 VAL 51 -6.928 -5.195 -2.781 423 HG13 VAL 51 3HG1 VAL 51 -6.057 -4.607 -4.188 424 HG21 VAL 51 3HG2 VAL 51 -9.755 -2.877 -2.908 425 HG22 VAL 51 1HG2 VAL 51 -9.069 -4.320 -2.158 426 HG23 VAL 51 2HG2 VAL 51 -8.323 -2.740 -1.879 427 H LYS 52 H LYS 52 -7.779 -2.916 -7.035 428 HA LYS 52 HA LYS 52 -5.273 -3.482 -7.954 429 HB2 LYS 52 1HB LYS 52 -7.508 -3.488 -9.194 430 HB3 LYS 52 2HB LYS 52 -7.281 -1.751 -9.393 431 HG2 LYS 52 1HG LYS 52 -4.933 -2.586 -10.432 432 HG3 LYS 52 2HG LYS 52 -5.907 -3.997 -10.765 433 HD2 LYS 52 1HD LYS 52 -6.798 -1.161 -11.502 434 HD3 LYS 52 2HD LYS 52 -5.741 -2.141 -12.515 435 HE2 LYS 52 1HE LYS 52 -7.490 -3.927 -12.548 436 HE3 LYS 52 2HE LYS 52 -8.594 -2.810 -11.714 437 HZ1 LYS 52 3HZ LYS 52 -7.269 -2.211 -14.307 438 HZ2 LYS 52 1HZ LYS 52 -8.479 -1.340 -13.625 439 HZ3 LYS 52 2HZ LYS 52 -8.776 -2.860 -14.176 440 H ILE 53 H ILE 53 -6.545 -0.119 -7.573 441 HA ILE 53 HA ILE 53 -4.276 0.915 -9.092 442 HB ILE 53 HB ILE 53 -6.551 2.385 -7.761 443 HG12 ILE 53 1HG1 ILE 53 -6.917 2.430 -10.547 444 HG13 ILE 53 2HG1 ILE 53 -6.397 0.777 -10.259 445 HG21 ILE 53 1HG2 ILE 53 -6.063 4.206 -9.313 446 HG22 ILE 53 2HG2 ILE 53 -4.641 3.884 -8.337 447 HG23 ILE 53 3HG2 ILE 53 -4.687 3.288 -10.007 448 HD11 ILE 53 3HD1 ILE 53 -8.740 2.221 -8.960 449 HD12 ILE 53 1HD1 ILE 53 -8.805 0.862 -10.108 450 HD13 ILE 53 2HD1 ILE 53 -8.187 0.612 -8.470 451 H TRP 54 H TRP 54 -5.073 0.466 -5.715 452 HA TRP 54 HA TRP 54 -3.306 2.359 -4.572 453 HB2 TRP 54 1HB TRP 54 -5.125 0.748 -3.588 454 HB3 TRP 54 2HB TRP 54 -3.861 -0.464 -3.566 455 HD1 TRP 54 HD TRP 54 -5.155 2.600 -1.821 456 HE1 TRP 54 1HE TRP 54 -4.169 2.757 0.529 457 HE3 TRP 54 3HE TRP 54 -1.592 -1.051 -2.220 458 HZ2 TRP 54 2HZ TRP 54 -2.077 1.472 2.049 459 HZ3 TRP 54 3HZ TRP 54 -0.156 -1.598 -0.276 460 HH2 TRP 54 HH TRP 54 -0.380 -0.361 1.858 461 H PHE 55 H PHE 55 -2.840 -0.852 -5.988 462 HA PHE 55 HA PHE 55 0.007 -1.013 -5.439 463 HB2 PHE 55 1HB PHE 55 -1.543 -2.370 -7.673 464 HB3 PHE 55 2HB PHE 55 0.020 -2.820 -7.034 465 HD1 PHE 55 2HD PHE 55 -0.067 -3.084 -4.254 466 HD2 PHE 55 1HD PHE 55 -3.276 -3.783 -7.059 467 HE1 PHE 55 2HE PHE 55 -1.227 -4.435 -2.576 468 HE2 PHE 55 1HE PHE 55 -4.416 -5.184 -5.398 469 HZ PHE 55 HZ PHE 55 -3.440 -5.477 -3.112 470 H GLN 56 H GLN 56 -1.956 0.337 -8.252 471 HA GLN 56 HA GLN 56 0.066 0.363 -10.114 472 HB2 GLN 56 1HB GLN 56 -2.401 0.862 -10.274 473 HB3 GLN 56 2HB GLN 56 -2.041 2.495 -9.689 474 HG2 GLN 56 1HG GLN 56 -0.569 2.847 -11.691 475 HG3 GLN 56 2HG GLN 56 -1.015 1.221 -12.265 476 HE21 GLN 56 1HE2 GLN 56 -3.533 0.822 -12.194 477 HE22 GLN 56 2HE2 GLN 56 -4.547 2.183 -12.571 478 H ASN 57 H ASN 57 -0.615 2.679 -7.523 479 HA ASN 57 HA ASN 57 1.448 4.583 -8.007 480 HB2 ASN 57 1HB ASN 57 -0.004 3.690 -5.493 481 HB3 ASN 57 2HB ASN 57 1.373 4.761 -5.407 482 HD21 ASN 57 1HD2 ASN 57 -0.863 5.152 -8.241 483 HD22 ASN 57 2HD2 ASN 57 -1.777 6.390 -7.429 484 H ARG 58 H ARG 58 1.480 1.891 -5.651 485 HA ARG 58 HA ARG 58 4.364 1.955 -5.344 486 HB2 ARG 58 1HB ARG 58 2.154 0.174 -4.259 487 HB3 ARG 58 2HB ARG 58 3.853 -0.055 -3.839 488 HG2 ARG 58 1HG ARG 58 2.441 2.598 -3.402 489 HG3 ARG 58 2HG ARG 58 2.462 1.303 -2.210 490 HD2 ARG 58 1HD ARG 58 4.834 1.399 -1.939 491 HD3 ARG 58 2HD ARG 58 5.057 2.406 -3.365 492 HE ARG 58 HE ARG 58 4.289 3.243 -0.675 493 HH11 ARG 58 1HH1 ARG 58 4.232 4.212 -4.091 494 HH12 ARG 58 2HH1 ARG 58 4.129 5.900 -3.760 495 HH21 ARG 58 1HH2 ARG 58 4.439 5.470 -0.255 496 HH22 ARG 58 2HH2 ARG 58 3.870 6.595 -1.440 497 H ARG 59 H ARG 59 3.382 1.353 -8.078 498 HA ARG 59 HA ARG 59 5.131 -1.030 -8.435 499 HB2 ARG 59 1HB ARG 59 2.462 -0.489 -9.737 500 HB3 ARG 59 2HB ARG 59 3.717 -1.310 -10.662 501 HG2 ARG 59 1HG ARG 59 4.037 -2.901 -8.736 502 HG3 ARG 59 2HG ARG 59 2.569 -2.241 -8.006 503 HD2 ARG 59 1HD ARG 59 1.198 -3.090 -9.740 504 HD3 ARG 59 2HD ARG 59 2.546 -3.259 -10.857 505 HE ARG 59 HE ARG 59 1.804 -5.079 -8.674 506 HH11 ARG 59 1HH1 ARG 59 4.005 -4.572 -11.475 507 HH12 ARG 59 2HH1 ARG 59 4.977 -5.934 -11.029 508 HH21 ARG 59 1HH2 ARG 59 3.215 -6.890 -8.197 509 HH22 ARG 59 2HH2 ARG 59 4.539 -7.214 -9.257 510 H ALA 60 H ALA 60 5.407 2.149 -8.607 511 HA ALA 60 HA ALA 60 6.578 2.258 -11.332 512 HB1 ALA 60 1HB ALA 60 6.315 4.364 -9.155 513 HB2 ALA 60 2HB ALA 60 7.009 4.581 -10.762 514 HB3 ALA 60 3HB ALA 60 5.293 4.186 -10.614 515 H LYS 61 H LYS 61 7.619 2.414 -7.901 516 HA LYS 61 HA LYS 61 10.042 3.490 -8.126 517 HB2 LYS 61 1HB LYS 61 8.943 2.813 -6.030 518 HB3 LYS 61 2HB LYS 61 9.418 1.129 -6.296 519 HG2 LYS 61 1HG LYS 61 11.592 3.244 -6.332 520 HG3 LYS 61 2HG LYS 61 10.834 2.929 -4.780 521 HD2 LYS 61 1HD LYS 61 11.466 0.637 -4.773 522 HD3 LYS 61 2HD LYS 61 12.005 0.668 -6.455 523 HE2 LYS 61 1HE LYS 61 13.320 2.378 -4.313 524 HE3 LYS 61 2HE LYS 61 13.783 0.695 -4.606 525 HZ1 LYS 61 3HZ LYS 61 13.928 2.863 -6.614 526 HZ2 LYS 61 1HZ LYS 61 14.302 1.262 -6.882 527 HZ3 LYS 61 2HZ LYS 61 15.180 2.175 -5.834 528 H TRP 62 H TRP 62 9.598 -0.020 -8.681 529 HA TRP 62 HA TRP 62 12.482 -0.381 -9.174 530 HB2 TRP 62 1HB TRP 62 10.309 -2.440 -9.548 531 HB3 TRP 62 2HB TRP 62 12.020 -2.692 -9.214 532 HD1 TRP 62 HD TRP 62 12.747 -1.759 -6.633 533 HE1 TRP 62 1HE TRP 62 11.524 -1.985 -4.412 534 HE3 TRP 62 3HE TRP 62 8.185 -3.053 -8.427 535 HZ2 TRP 62 2HZ TRP 62 8.760 -2.453 -3.529 536 HZ3 TRP 62 3HZ TRP 62 6.239 -3.348 -6.915 537 HH2 TRP 62 HH TRP 62 6.515 -3.034 -4.458 538 H LYS 63 H LYS 63 9.346 -0.332 -10.910 539 HA LYS 63 HA LYS 63 10.296 -1.216 -13.442 540 HB2 LYS 63 1HB LYS 63 7.846 0.143 -12.372 541 HB3 LYS 63 2HB LYS 63 8.222 0.507 -14.024 542 HG2 LYS 63 1HG LYS 63 6.893 -1.333 -14.347 543 HG3 LYS 63 2HG LYS 63 8.493 -2.066 -14.358 544 HD2 LYS 63 1HD LYS 63 8.014 -2.448 -11.776 545 HD3 LYS 63 2HD LYS 63 6.328 -2.199 -12.246 546 HE2 LYS 63 1HE LYS 63 8.276 -4.340 -13.159 547 HE3 LYS 63 2HE LYS 63 6.786 -4.555 -12.245 548 HZ1 LYS 63 3HZ LYS 63 7.111 -3.966 -15.105 549 HZ2 LYS 63 1HZ LYS 63 5.622 -3.806 -14.353 550 HZ3 LYS 63 2HZ LYS 63 6.368 -5.243 -14.386 551 H ARG 64 H ARG 64 10.373 2.010 -11.949 552 HA ARG 64 HA ARG 64 11.274 3.551 -14.110 553 HB2 ARG 64 1HB ARG 64 11.772 3.604 -11.186 554 HB3 ARG 64 2HB ARG 64 12.619 4.752 -12.210 555 HG2 ARG 64 1HG ARG 64 9.607 4.472 -12.422 556 HG3 ARG 64 2HG ARG 64 10.297 5.374 -11.087 557 HD2 ARG 64 1HD ARG 64 11.433 6.094 -13.745 558 HD3 ARG 64 2HD ARG 64 9.713 6.399 -13.583 559 HE ARG 64 HE ARG 64 11.867 7.480 -11.806 560 HH11 ARG 64 1HH1 ARG 64 8.715 8.030 -13.460 561 HH12 ARG 64 2HH1 ARG 64 8.467 9.532 -12.629 562 HH21 ARG 64 1HH2 ARG 64 11.463 9.612 -10.827 563 HH22 ARG 64 2HH2 ARG 64 9.959 10.370 -11.178 564 H ILE 65 H ILE 65 13.478 2.144 -11.662 565 HA ILE 65 HA ILE 65 15.777 2.652 -13.221 566 HB ILE 65 HB ILE 65 15.373 0.718 -10.927 567 HG12 ILE 65 1HG1 ILE 65 16.408 3.596 -10.930 568 HG13 ILE 65 2HG1 ILE 65 14.784 3.113 -10.429 569 HG21 ILE 65 1HG2 ILE 65 17.873 0.947 -10.623 570 HG22 ILE 65 2HG2 ILE 65 17.460 0.176 -12.133 571 HG23 ILE 65 3HG2 ILE 65 17.943 1.891 -12.122 572 HD11 ILE 65 3HD1 ILE 65 16.029 3.349 -8.443 573 HD12 ILE 65 1HD1 ILE 65 15.822 1.613 -8.700 574 HD13 ILE 65 2HD1 ILE 65 17.377 2.389 -9.062 575 H LYS 66 H LYS 66 13.718 -0.259 -12.972 576 HA LYS 66 HA LYS 66 15.558 -1.829 -14.607 577 HB2 LYS 66 1HB LYS 66 14.076 -2.446 -12.489 578 HB3 LYS 66 2HB LYS 66 12.846 -2.801 -13.695 579 HG2 LYS 66 1HG LYS 66 15.642 -3.967 -13.958 580 HG3 LYS 66 2HG LYS 66 14.604 -4.567 -12.698 581 HD2 LYS 66 1HD LYS 66 13.567 -5.954 -14.031 582 HD3 LYS 66 2HD LYS 66 13.034 -4.680 -15.116 583 HE2 LYS 66 1HE LYS 66 15.902 -5.662 -15.250 584 HE3 LYS 66 2HE LYS 66 14.635 -6.692 -15.912 585 HZ1 LYS 66 3HZ LYS 66 15.820 -4.947 -17.366 586 HZ2 LYS 66 1HZ LYS 66 14.726 -3.899 -16.765 587 HZ3 LYS 66 2HZ LYS 66 14.239 -5.241 -17.610 588 H ALA 67 H ALA 67 13.874 0.549 -15.784 589 HA ALA 67 HA ALA 67 11.890 -0.215 -17.503 590 HB1 ALA 67 1HB ALA 67 14.124 1.815 -17.901 591 HB2 ALA 67 2HB ALA 67 12.662 1.706 -18.900 592 HB3 ALA 67 3HB ALA 67 12.524 2.106 -17.178 593 H GLY 68 H GLY 68 11.799 -1.701 -18.947 594 HA2 GLY 68 1HA GLY 68 14.041 -3.299 -19.695 595 HA3 GLY 68 2HA GLY 68 12.378 -3.481 -20.283 596 H ASN 69 H ASN 69 15.513 -2.795 -21.271 597 HA ASN 69 HA ASN 69 14.479 -1.849 -23.875 598 HB2 ASN 69 1HB ASN 69 15.460 0.130 -22.521 599 HB3 ASN 69 2HB ASN 69 17.019 -0.703 -22.731 600 HD21 ASN 69 1HD2 ASN 69 17.674 -1.210 -25.017 601 HD22 ASN 69 2HD2 ASN 69 17.166 -0.091 -26.284 602 H VAL 70 H VAL 70 14.688 -4.260 -24.087 603 HA VAL 70 HA VAL 70 17.385 -4.732 -25.153 604 HB VAL 70 HB VAL 70 15.743 -6.900 -23.757 605 HG11 VAL 70 1HG1 VAL 70 17.741 -8.303 -24.133 606 HG12 VAL 70 2HG1 VAL 70 17.111 -7.700 -25.668 607 HG13 VAL 70 3HG1 VAL 70 18.551 -6.946 -24.959 608 HG21 VAL 70 3HG2 VAL 70 17.570 -6.978 -22.079 609 HG22 VAL 70 1HG2 VAL 70 18.279 -5.509 -22.805 610 HG23 VAL 70 2HG2 VAL 70 16.681 -5.456 -22.038 611 H SER 71 H SER 71 17.182 -5.306 -27.370 612 HA SER 71 HA SER 71 14.725 -6.084 -28.562 613 HB2 SER 71 1HB SER 71 14.427 -3.602 -27.919 614 HB3 SER 71 2HB SER 71 15.866 -3.277 -28.922 615 HG SER 71 HG SER 71 14.715 -4.461 -30.584 Start of MODEL 20 1 H1 SER 1 H SER 1 -19.702 12.390 -23.305 2 HA SER 1 HA SER 1 -18.274 10.577 -24.382 3 HB2 SER 1 1HB SER 1 -16.372 11.924 -25.703 4 HB3 SER 1 2HB SER 1 -17.791 11.237 -26.503 5 HG SER 1 HG SER 1 -17.244 13.531 -26.952 6 H ALA 2 H ALA 2 -17.605 10.188 -22.365 7 HA ALA 2 HA ALA 2 -16.881 12.215 -20.557 8 HB1 ALA 2 1HB ALA 2 -16.430 9.202 -20.538 9 HB2 ALA 2 2HB ALA 2 -16.186 10.256 -19.134 10 HB3 ALA 2 3HB ALA 2 -17.805 10.089 -19.839 11 HA PRO 3 HA PRO 3 -12.442 12.563 -21.265 12 HB2 PRO 3 1HB PRO 3 -11.542 13.271 -18.778 13 HB3 PRO 3 2HB PRO 3 -12.468 14.375 -19.840 14 HG2 PRO 3 1HG PRO 3 -13.526 12.693 -17.553 15 HG3 PRO 3 2HG PRO 3 -13.829 14.434 -17.887 16 HD2 PRO 3 1HD PRO 3 -15.575 12.481 -18.652 17 HD3 PRO 3 2HD PRO 3 -15.303 13.928 -19.658 18 H GLY 4 H GLY 4 -11.167 10.810 -21.543 19 HA2 GLY 4 1HA GLY 4 -10.867 8.802 -19.343 20 HA3 GLY 4 2HA GLY 4 -11.008 8.358 -21.050 21 H GLY 5 H GLY 5 -9.108 10.406 -18.805 22 HA2 GLY 5 1HA GLY 5 -6.784 10.441 -20.648 23 HA3 GLY 5 2HA GLY 5 -7.003 11.419 -19.190 24 H LYS 6 H LYS 6 -4.803 9.508 -20.100 25 HA LYS 6 HA LYS 6 -5.037 7.322 -18.062 26 HB2 LYS 6 1HB LYS 6 -3.376 7.352 -20.625 27 HB3 LYS 6 2HB LYS 6 -3.526 6.050 -19.464 28 HG2 LYS 6 1HG LYS 6 -4.915 5.312 -21.122 29 HG3 LYS 6 2HG LYS 6 -6.089 6.085 -20.049 30 HD2 LYS 6 1HD LYS 6 -6.087 8.087 -21.514 31 HD3 LYS 6 2HD LYS 6 -4.825 7.400 -22.512 32 HE2 LYS 6 1HE LYS 6 -7.629 6.233 -22.159 33 HE3 LYS 6 2HE LYS 6 -7.134 7.310 -23.463 34 HZ1 LYS 6 3HZ LYS 6 -5.464 5.587 -24.084 35 HZ2 LYS 6 1HZ LYS 6 -7.031 5.209 -24.321 36 HZ3 LYS 6 2HZ LYS 6 -6.205 4.546 -23.051 37 H SER 7 H SER 7 -3.840 7.881 -16.257 38 HA SER 7 HA SER 7 -1.048 8.586 -16.622 39 HB2 SER 7 1HB SER 7 -2.170 10.829 -16.814 40 HB3 SER 7 2HB SER 7 -2.831 10.597 -15.180 41 HG SER 7 HG SER 7 -0.912 11.760 -15.092 42 H ARG 8 H ARG 8 -0.096 8.981 -14.367 43 HA ARG 8 HA ARG 8 -0.699 6.646 -12.717 44 HB2 ARG 8 1HB ARG 8 1.295 7.271 -11.456 45 HB3 ARG 8 2HB ARG 8 1.630 7.218 -13.177 46 HG2 ARG 8 1HG ARG 8 2.043 9.466 -13.339 47 HG3 ARG 8 2HG ARG 8 0.902 9.918 -12.070 48 HD2 ARG 8 1HD ARG 8 2.352 9.306 -10.317 49 HD3 ARG 8 2HD ARG 8 3.475 8.444 -11.406 50 HE ARG 8 HE ARG 8 3.683 10.816 -12.494 51 HH11 ARG 8 1HH1 ARG 8 3.860 10.127 -8.953 52 HH12 ARG 8 2HH1 ARG 8 4.432 11.708 -8.590 53 HH21 ARG 8 1HH2 ARG 8 4.490 12.808 -11.974 54 HH22 ARG 8 2HH2 ARG 8 4.862 13.267 -10.344 55 H ARG 9 H ARG 9 -2.821 8.577 -12.701 56 HA ARG 9 HA ARG 9 -2.698 10.357 -10.507 57 HB2 ARG 9 1HB ARG 9 -5.121 10.548 -10.694 58 HB3 ARG 9 2HB ARG 9 -4.260 10.753 -12.198 59 HG2 ARG 9 1HG ARG 9 -5.020 7.975 -12.084 60 HG3 ARG 9 2HG ARG 9 -6.421 8.915 -11.556 61 HD2 ARG 9 1HD ARG 9 -4.822 9.335 -14.104 62 HD3 ARG 9 2HD ARG 9 -6.386 8.497 -14.012 63 HE ARG 9 HE ARG 9 -7.002 10.904 -12.932 64 HH11 ARG 9 1HH1 ARG 9 -5.643 10.026 -16.103 65 HH12 ARG 9 2HH1 ARG 9 -5.547 11.673 -16.655 66 HH21 ARG 9 1HH2 ARG 9 -7.258 13.024 -13.855 67 HH22 ARG 9 2HH2 ARG 9 -6.904 13.225 -15.536 68 H ARG 10 H ARG 10 -2.271 9.736 -8.421 69 HA ARG 10 HA ARG 10 -3.435 7.325 -7.218 70 HB2 ARG 10 1HB ARG 10 -2.518 8.305 -5.160 71 HB3 ARG 10 2HB ARG 10 -1.307 8.081 -6.392 72 HG2 ARG 10 1HG ARG 10 -0.919 10.310 -6.652 73 HG3 ARG 10 2HG ARG 10 -2.591 10.796 -6.364 74 HD2 ARG 10 1HD ARG 10 -0.767 9.813 -4.144 75 HD3 ARG 10 2HD ARG 10 -0.880 11.502 -4.603 76 HE ARG 10 HE ARG 10 -3.016 9.832 -3.372 77 HH11 ARG 10 1HH1 ARG 10 -2.219 13.068 -4.705 78 HH12 ARG 10 2HH1 ARG 10 -3.404 13.848 -3.682 79 HH21 ARG 10 1HH2 ARG 10 -4.695 10.856 -2.361 80 HH22 ARG 10 2HH2 ARG 10 -4.883 12.584 -2.395 81 H ARG 11 H ARG 11 -5.540 8.286 -8.387 82 HA ARG 11 HA ARG 11 -7.140 9.755 -6.343 83 HB2 ARG 11 1HB ARG 11 -7.790 8.765 -9.136 84 HB3 ARG 11 2HB ARG 11 -9.022 9.286 -7.978 85 HG2 ARG 11 1HG ARG 11 -7.855 11.479 -7.732 86 HG3 ARG 11 2HG ARG 11 -6.786 11.036 -9.073 87 HD2 ARG 11 1HD ARG 11 -8.627 10.973 -10.632 88 HD3 ARG 11 2HD ARG 11 -9.817 10.964 -9.322 89 HE ARG 11 HE ARG 11 -8.241 13.339 -9.135 90 HH11 ARG 11 1HH1 ARG 11 -10.867 11.933 -11.128 91 HH12 ARG 11 2HH1 ARG 11 -11.829 13.345 -11.055 92 HH21 ARG 11 1HH2 ARG 11 -9.426 15.321 -9.311 93 HH22 ARG 11 2HH2 ARG 11 -10.814 15.389 -10.339 94 H THR 12 H THR 12 -6.322 7.958 -4.922 95 HA THR 12 HA THR 12 -7.747 5.444 -5.047 96 HB THR 12 HB THR 12 -7.135 6.571 -2.363 97 HG1 THR 12 1HG THR 12 -4.987 5.892 -4.125 98 HG21 THR 12 3HG2 THR 12 -7.772 4.157 -2.899 99 HG22 THR 12 1HG2 THR 12 -6.314 4.379 -1.948 100 HG23 THR 12 2HG2 THR 12 -6.203 3.989 -3.689 101 H ALA 13 H ALA 13 -9.373 4.954 -3.037 102 HA ALA 13 HA ALA 13 -11.418 7.049 -2.761 103 HB1 ALA 13 1HB ALA 13 -13.135 5.627 -3.745 104 HB2 ALA 13 2HB ALA 13 -11.856 5.835 -4.945 105 HB3 ALA 13 3HB ALA 13 -11.971 4.320 -4.025 106 H PHE 14 H PHE 14 -9.726 6.051 -0.739 107 HA PHE 14 HA PHE 14 -11.570 4.450 0.933 108 HB2 PHE 14 1HB PHE 14 -8.581 4.099 1.118 109 HB3 PHE 14 2HB PHE 14 -9.839 3.026 1.777 110 HD1 PHE 14 2HD PHE 14 -11.555 2.461 -0.490 111 HD2 PHE 14 1HD PHE 14 -7.268 2.750 -0.263 112 HE1 PHE 14 2HE PHE 14 -11.350 1.067 -2.498 113 HE2 PHE 14 1HE PHE 14 -7.036 1.225 -2.166 114 HZ PHE 14 HZ PHE 14 -9.044 0.357 -3.311 115 H THR 15 H THR 15 -9.887 4.555 3.215 116 HA THR 15 HA THR 15 -9.500 7.338 3.901 117 HB THR 15 HB THR 15 -11.736 7.346 4.408 118 HG1 THR 15 1HG THR 15 -11.840 7.528 6.501 119 HG21 THR 15 3HG2 THR 15 -11.397 4.515 5.316 120 HG22 THR 15 1HG2 THR 15 -12.379 5.112 3.957 121 HG23 THR 15 2HG2 THR 15 -12.874 5.454 5.631 122 H SER 16 H SER 16 -8.531 7.333 6.131 123 HA SER 16 HA SER 16 -6.569 5.293 6.705 124 HB2 SER 16 1HB SER 16 -6.112 7.419 7.492 125 HB3 SER 16 2HB SER 16 -7.746 7.701 8.083 126 HG SER 16 HG SER 16 -5.750 7.014 9.485 127 H GLU 17 H GLU 17 -10.046 5.822 7.447 128 HA GLU 17 HA GLU 17 -10.116 3.838 9.522 129 HB2 GLU 17 1HB GLU 17 -11.934 5.733 8.400 130 HB3 GLU 17 2HB GLU 17 -12.680 4.158 8.126 131 HG2 GLU 17 1HG GLU 17 -12.186 3.627 10.567 132 HG3 GLU 17 2HG GLU 17 -11.641 5.306 10.739 133 H GLN 18 H GLN 18 -9.724 3.393 6.210 134 HA GLN 18 HA GLN 18 -10.581 0.517 6.373 135 HB2 GLN 18 1HB GLN 18 -11.036 2.435 4.089 136 HB3 GLN 18 2HB GLN 18 -11.262 0.677 4.069 137 HG2 GLN 18 1HG GLN 18 -12.751 0.962 6.153 138 HG3 GLN 18 2HG GLN 18 -12.772 2.688 5.788 139 HE21 GLN 18 1HE2 GLN 18 -12.693 1.652 2.714 140 HE22 GLN 18 2HE2 GLN 18 -14.413 1.365 2.503 141 H LEU 19 H LEU 19 -8.008 2.557 6.173 142 HA LEU 19 HA LEU 19 -6.289 0.748 4.581 143 HB2 LEU 19 1HB LEU 19 -6.163 3.578 5.537 144 HB3 LEU 19 2HB LEU 19 -4.643 2.722 5.490 145 HG LEU 19 HG LEU 19 -4.657 2.414 3.184 146 HD11 LEU 19 1HD1 LEU 19 -6.474 2.952 1.668 147 HD12 LEU 19 2HD1 LEU 19 -7.550 3.339 3.033 148 HD13 LEU 19 3HD1 LEU 19 -7.004 1.685 2.776 149 HD21 LEU 19 3HD2 LEU 19 -4.294 4.768 3.950 150 HD22 LEU 19 1HD2 LEU 19 -6.007 5.115 3.645 151 HD23 LEU 19 2HD2 LEU 19 -4.917 4.686 2.293 152 H LEU 20 H LEU 20 -7.436 0.920 7.735 153 HA LEU 20 HA LEU 20 -5.082 0.443 9.245 154 HB2 LEU 20 1HB LEU 20 -7.880 0.549 9.735 155 HB3 LEU 20 2HB LEU 20 -7.424 -1.070 10.236 156 HG LEU 20 HG LEU 20 -5.960 1.465 11.139 157 HD11 LEU 20 1HD1 LEU 20 -7.188 1.236 13.260 158 HD12 LEU 20 2HD1 LEU 20 -8.131 -0.123 12.600 159 HD13 LEU 20 3HD1 LEU 20 -8.300 1.513 11.918 160 HD21 LEU 20 3HD2 LEU 20 -5.947 -1.381 12.282 161 HD22 LEU 20 1HD2 LEU 20 -5.046 0.020 12.903 162 HD23 LEU 20 2HD2 LEU 20 -4.641 -0.649 11.322 163 H GLU 21 H GLU 21 -7.364 -1.826 7.693 164 HA GLU 21 HA GLU 21 -5.832 -4.223 8.393 165 HB2 GLU 21 1HB GLU 21 -8.016 -3.733 6.346 166 HB3 GLU 21 2HB GLU 21 -7.421 -5.315 6.781 167 HG2 GLU 21 1HG GLU 21 -8.444 -3.630 9.063 168 HG3 GLU 21 2HG GLU 21 -9.618 -4.050 7.846 169 H LEU 22 H LEU 22 -6.149 -2.044 5.689 170 HA LEU 22 HA LEU 22 -5.022 -3.702 3.674 171 HB2 LEU 22 1HB LEU 22 -6.598 -1.562 3.646 172 HB3 LEU 22 2HB LEU 22 -5.063 -0.686 3.607 173 HG LEU 22 HG LEU 22 -4.485 -1.888 1.471 174 HD11 LEU 22 1HD1 LEU 22 -7.390 -2.816 1.633 175 HD12 LEU 22 2HD1 LEU 22 -5.977 -3.892 1.692 176 HD13 LEU 22 3HD1 LEU 22 -6.356 -2.972 0.221 177 HD21 LEU 22 3HD2 LEU 22 -5.486 0.353 1.519 178 HD22 LEU 22 1HD2 LEU 22 -7.112 -0.342 1.671 179 HD23 LEU 22 2HD2 LEU 22 -6.178 -0.546 0.156 180 H GLU 23 H GLU 23 -3.633 -1.135 5.749 181 HA GLU 23 HA GLU 23 -0.954 -1.461 4.549 182 HB2 GLU 23 1HB GLU 23 -1.971 0.082 6.980 183 HB3 GLU 23 2HB GLU 23 -0.274 -0.020 6.499 184 HG2 GLU 23 1HG GLU 23 -0.974 0.903 4.215 185 HG3 GLU 23 2HG GLU 23 -2.542 1.245 4.898 186 H LYS 24 H LYS 24 -2.826 -2.807 7.284 187 HA LYS 24 HA LYS 24 -0.624 -3.646 8.849 188 HB2 LYS 24 1HB LYS 24 -2.925 -3.651 9.642 189 HB3 LYS 24 2HB LYS 24 -3.372 -4.932 8.508 190 HG2 LYS 24 1HG LYS 24 -2.627 -6.554 9.894 191 HG3 LYS 24 2HG LYS 24 -1.104 -5.706 10.246 192 HD2 LYS 24 1HD LYS 24 -2.186 -4.266 11.839 193 HD3 LYS 24 2HD LYS 24 -3.787 -4.914 11.441 194 HE2 LYS 24 1HE LYS 24 -3.155 -7.105 12.353 195 HE3 LYS 24 2HE LYS 24 -1.520 -6.504 12.714 196 HZ1 LYS 24 3HZ LYS 24 -2.994 -6.438 14.630 197 HZ2 LYS 24 1HZ LYS 24 -4.001 -5.372 13.870 198 HZ3 LYS 24 2HZ LYS 24 -2.452 -4.933 14.227 199 H GLU 25 H GLU 25 -2.414 -5.470 6.359 200 HA GLU 25 HA GLU 25 -0.622 -7.695 6.096 201 HB2 GLU 25 1HB GLU 25 -2.888 -6.356 4.560 202 HB3 GLU 25 2HB GLU 25 -1.829 -7.390 3.639 203 HG2 GLU 25 1HG GLU 25 -3.510 -8.829 4.265 204 HG3 GLU 25 2HG GLU 25 -2.204 -9.215 5.375 205 H PHE 26 H PHE 26 0.351 -4.594 5.542 206 HA PHE 26 HA PHE 26 2.345 -5.527 3.553 207 HB2 PHE 26 1HB PHE 26 0.535 -3.487 3.109 208 HB3 PHE 26 2HB PHE 26 1.909 -2.600 3.742 209 HD1 PHE 26 2HD PHE 26 1.018 -5.306 1.297 210 HD2 PHE 26 1HD PHE 26 3.649 -2.010 2.186 211 HE1 PHE 26 2HE PHE 26 2.007 -5.478 -0.978 212 HE2 PHE 26 1HE PHE 26 4.536 -2.090 -0.132 213 HZ PHE 26 HZ PHE 26 3.787 -3.923 -1.684 214 H HIS 27 H HIS 27 2.067 -5.418 6.677 215 HA HIS 27 HA HIS 27 4.591 -3.950 7.196 216 HB2 HIS 27 1HB HIS 27 2.464 -3.729 8.671 217 HB3 HIS 27 2HB HIS 27 2.914 -5.311 9.311 218 HD1 HIS 27 1HD HIS 27 5.370 -5.366 10.618 219 HD2 HIS 27 2HD HIS 27 4.020 -1.657 9.165 220 HE1 HIS 27 1HE HIS 27 6.966 -3.595 11.552 221 H CYS 28 H CYS 28 3.148 -7.232 7.419 222 HA CYS 28 HA CYS 28 5.554 -8.484 8.431 223 HB2 CYS 28 1HB CYS 28 2.971 -9.586 7.164 224 HB3 CYS 28 2HB CYS 28 4.246 -10.580 7.900 225 HG CYS 28 HG CYS 28 2.222 -8.356 9.178 226 H LYS 29 H LYS 29 4.381 -7.672 5.235 227 HA LYS 29 HA LYS 29 6.476 -9.253 3.898 228 HB2 LYS 29 1HB LYS 29 4.848 -10.518 2.582 229 HB3 LYS 29 2HB LYS 29 4.648 -10.851 4.293 230 HG2 LYS 29 1HG LYS 29 2.473 -10.268 4.185 231 HG3 LYS 29 2HG LYS 29 2.911 -8.637 3.748 232 HD2 LYS 29 1HD LYS 29 1.549 -9.250 1.967 233 HD3 LYS 29 2HD LYS 29 3.162 -9.466 1.329 234 HE2 LYS 29 1HE LYS 29 1.695 -11.317 0.692 235 HE3 LYS 29 2HE LYS 29 3.025 -11.915 1.702 236 HZ1 LYS 29 3HZ LYS 29 1.555 -12.268 3.445 237 HZ2 LYS 29 1HZ LYS 29 0.615 -12.630 2.123 238 HZ3 LYS 29 2HZ LYS 29 0.430 -11.199 2.877 239 H LYS 30 H LYS 30 6.192 -8.904 1.441 240 HA LYS 30 HA LYS 30 5.815 -5.961 1.120 241 HB2 LYS 30 1HB LYS 30 8.107 -7.592 1.142 242 HB3 LYS 30 2HB LYS 30 7.820 -7.320 -0.567 243 HG2 LYS 30 1HG LYS 30 8.049 -5.130 1.540 244 HG3 LYS 30 2HG LYS 30 9.366 -5.720 0.520 245 HD2 LYS 30 1HD LYS 30 7.881 -5.129 -1.493 246 HD3 LYS 30 2HD LYS 30 6.858 -4.247 -0.351 247 HE2 LYS 30 1HE LYS 30 8.318 -2.649 -1.286 248 HE3 LYS 30 2HE LYS 30 8.942 -2.960 0.337 249 HZ1 LYS 30 3HZ LYS 30 10.587 -4.427 -0.665 250 HZ2 LYS 30 1HZ LYS 30 10.732 -2.943 -1.252 251 HZ3 LYS 30 2HZ LYS 30 10.018 -4.123 -2.183 252 H TYR 31 H TYR 31 4.217 -8.615 0.090 253 HA TYR 31 HA TYR 31 3.643 -7.661 -2.643 254 HB2 TYR 31 1HB TYR 31 4.186 -10.056 -3.395 255 HB3 TYR 31 2HB TYR 31 5.536 -8.982 -3.089 256 HD1 TYR 31 1HD TYR 31 3.748 -11.996 -1.840 257 HD2 TYR 31 2HD TYR 31 7.141 -9.389 -1.277 258 HE1 TYR 31 1HE TYR 31 4.635 -13.529 -0.149 259 HE2 TYR 31 2HE TYR 31 8.052 -10.941 0.421 260 HH TYR 31 HH TYR 31 7.788 -13.420 1.160 261 H LEU 32 H LEU 32 1.409 -7.423 -2.253 262 HA LEU 32 HA LEU 32 -0.050 -9.432 -0.659 263 HB2 LEU 32 1HB LEU 32 -0.714 -6.883 -2.092 264 HB3 LEU 32 2HB LEU 32 -1.996 -8.073 -1.959 265 HG LEU 32 HG LEU 32 -0.377 -7.191 0.463 266 HD11 LEU 32 1HD1 LEU 32 -2.278 -5.708 1.030 267 HD12 LEU 32 2HD1 LEU 32 -2.985 -6.034 -0.574 268 HD13 LEU 32 3HD1 LEU 32 -1.411 -5.195 -0.415 269 HD21 LEU 32 3HD2 LEU 32 -3.027 -8.652 0.094 270 HD22 LEU 32 1HD2 LEU 32 -2.513 -7.964 1.635 271 HD23 LEU 32 2HD2 LEU 32 -1.542 -9.229 0.904 272 H SER 33 H SER 33 -0.756 -11.301 -1.367 273 HA SER 33 HA SER 33 -0.345 -12.011 -4.179 274 HB2 SER 33 1HB SER 33 0.332 -13.302 -1.958 275 HB3 SER 33 2HB SER 33 -1.307 -13.963 -2.103 276 HG SER 33 HG SER 33 -0.135 -15.310 -3.307 277 H LEU 34 H LEU 34 -2.020 -13.922 -4.689 278 HA LEU 34 HA LEU 34 -4.128 -12.546 -5.871 279 HB2 LEU 34 1HB LEU 34 -3.563 -15.501 -5.449 280 HB3 LEU 34 2HB LEU 34 -5.015 -14.980 -6.260 281 HG LEU 34 HG LEU 34 -3.224 -15.627 -7.813 282 HD11 LEU 34 1HD1 LEU 34 -3.837 -12.671 -8.116 283 HD12 LEU 34 2HD1 LEU 34 -5.005 -13.964 -8.451 284 HD13 LEU 34 3HD1 LEU 34 -3.516 -13.857 -9.392 285 HD21 LEU 34 3HD2 LEU 34 -1.748 -13.100 -6.952 286 HD22 LEU 34 1HD2 LEU 34 -1.284 -14.239 -8.230 287 HD23 LEU 34 2HD2 LEU 34 -1.263 -14.755 -6.538 288 H THR 35 H THR 35 -4.481 -14.998 -3.179 289 HA THR 35 HA THR 35 -7.258 -14.216 -2.844 290 HB THR 35 HB THR 35 -5.494 -15.737 -0.900 291 HG1 THR 35 1HG THR 35 -5.262 -16.928 -2.566 292 HG21 THR 35 3HG2 THR 35 -7.662 -15.141 0.035 293 HG22 THR 35 1HG2 THR 35 -7.607 -16.874 -0.305 294 HG23 THR 35 2HG2 THR 35 -8.493 -15.785 -1.401 295 H GLU 36 H GLU 36 -4.132 -13.154 -1.450 296 HA GLU 36 HA GLU 36 -5.105 -12.281 1.093 297 HB2 GLU 36 1HB GLU 36 -2.628 -11.850 -0.585 298 HB3 GLU 36 2HB GLU 36 -2.825 -10.996 0.943 299 HG2 GLU 36 1HG GLU 36 -2.539 -12.861 2.221 300 HG3 GLU 36 2HG GLU 36 -3.387 -13.908 1.090 301 H ARG 37 H ARG 37 -4.509 -10.694 -2.048 302 HA ARG 37 HA ARG 37 -5.147 -8.141 -1.034 303 HB2 ARG 37 1HB ARG 37 -4.931 -7.393 -3.328 304 HB3 ARG 37 2HB ARG 37 -3.808 -8.744 -3.021 305 HG2 ARG 37 1HG ARG 37 -5.567 -10.277 -4.005 306 HG3 ARG 37 2HG ARG 37 -6.443 -8.834 -4.503 307 HD2 ARG 37 1HD ARG 37 -4.561 -8.163 -5.924 308 HD3 ARG 37 2HD ARG 37 -3.665 -9.624 -5.423 309 HE ARG 37 HE ARG 37 -6.210 -10.446 -6.263 310 HH11 ARG 37 1HH1 ARG 37 -3.326 -9.034 -7.838 311 HH12 ARG 37 2HH1 ARG 37 -3.687 -9.850 -9.352 312 HH21 ARG 37 1HH2 ARG 37 -6.664 -11.320 -8.249 313 HH22 ARG 37 2HH2 ARG 37 -5.641 -11.132 -9.621 314 H SER 38 H SER 38 -7.212 -10.746 -1.886 315 HA SER 38 HA SER 38 -9.570 -9.116 -2.570 316 HB2 SER 38 1HB SER 38 -8.984 -11.351 -3.623 317 HB3 SER 38 2HB SER 38 -9.269 -12.106 -2.052 318 HG SER 38 HG SER 38 -11.274 -10.570 -3.391 319 H GLN 39 H GLN 39 -7.789 -10.280 0.229 320 HA GLN 39 HA GLN 39 -10.162 -11.144 1.638 321 HB2 GLN 39 1HB GLN 39 -7.419 -10.513 2.819 322 HB3 GLN 39 2HB GLN 39 -8.770 -11.284 3.667 323 HG2 GLN 39 1HG GLN 39 -8.802 -12.969 1.726 324 HG3 GLN 39 2HG GLN 39 -7.219 -12.336 1.319 325 HE21 GLN 39 1HE2 GLN 39 -8.826 -14.710 3.182 326 HE22 GLN 39 2HE2 GLN 39 -7.567 -14.972 4.364 327 H ILE 40 H ILE 40 -8.251 -8.196 1.859 328 HA ILE 40 HA ILE 40 -9.959 -6.940 3.786 329 HB ILE 40 HB ILE 40 -8.122 -5.648 1.729 330 HG12 ILE 40 1HG1 ILE 40 -6.853 -5.090 3.931 331 HG13 ILE 40 2HG1 ILE 40 -7.844 -6.307 4.699 332 HG21 ILE 40 1HG2 ILE 40 -8.369 -3.645 3.371 333 HG22 ILE 40 2HG2 ILE 40 -9.810 -4.012 2.416 334 HG23 ILE 40 3HG2 ILE 40 -9.682 -4.568 4.102 335 HD11 ILE 40 3HD1 ILE 40 -6.021 -6.819 2.278 336 HD12 ILE 40 1HD1 ILE 40 -5.509 -7.010 3.970 337 HD13 ILE 40 2HD1 ILE 40 -6.776 -8.049 3.328 338 H ALA 41 H ALA 41 -10.281 -7.311 0.276 339 HA ALA 41 HA ALA 41 -12.482 -5.400 0.012 340 HB1 ALA 41 1HB ALA 41 -11.573 -7.586 -1.896 341 HB2 ALA 41 2HB ALA 41 -12.675 -6.251 -2.254 342 HB3 ALA 41 3HB ALA 41 -10.968 -5.908 -1.897 343 H HIS 42 H HIS 42 -12.231 -8.584 1.295 344 HA HIS 42 HA HIS 42 -15.161 -8.961 1.036 345 HB2 HIS 42 1HB HIS 42 -13.065 -10.758 0.705 346 HB3 HIS 42 2HB HIS 42 -13.504 -11.027 2.384 347 HD1 HIS 42 1HD HIS 42 -15.141 -10.999 -1.119 348 HD2 HIS 42 2HD HIS 42 -15.525 -12.696 2.730 349 HE1 HIS 42 1HE HIS 42 -17.029 -12.720 -1.275 350 H ALA 43 H ALA 43 -13.037 -7.369 3.115 351 HA ALA 43 HA ALA 43 -14.155 -8.456 5.623 352 HB1 ALA 43 1HB ALA 43 -11.719 -6.708 5.037 353 HB2 ALA 43 2HB ALA 43 -12.256 -7.203 6.637 354 HB3 ALA 43 3HB ALA 43 -11.695 -8.430 5.482 355 H LEU 44 H LEU 44 -13.383 -5.353 3.896 356 HA LEU 44 HA LEU 44 -14.739 -4.055 6.196 357 HB2 LEU 44 1HB LEU 44 -12.914 -3.082 3.992 358 HB3 LEU 44 2HB LEU 44 -13.708 -1.936 5.065 359 HG LEU 44 HG LEU 44 -11.903 -4.122 6.149 360 HD11 LEU 44 1HD1 LEU 44 -10.726 -2.710 4.403 361 HD12 LEU 44 2HD1 LEU 44 -10.010 -2.715 5.979 362 HD13 LEU 44 3HD1 LEU 44 -10.998 -1.329 5.433 363 HD21 LEU 44 3HD2 LEU 44 -13.378 -2.962 7.756 364 HD22 LEU 44 1HD2 LEU 44 -12.762 -1.380 7.204 365 HD23 LEU 44 2HD2 LEU 44 -11.690 -2.533 8.021 366 H LYS 45 H LYS 45 -14.501 -2.579 3.081 367 HA LYS 45 HA LYS 45 -17.178 -2.830 2.076 368 HB2 LYS 45 1HB LYS 45 -16.168 -0.197 3.262 369 HB3 LYS 45 2HB LYS 45 -17.566 -0.343 2.205 370 HG2 LYS 45 1HG LYS 45 -18.786 -0.519 4.012 371 HG3 LYS 45 2HG LYS 45 -18.215 -2.174 4.049 372 HD2 LYS 45 1HD LYS 45 -17.741 -1.575 6.235 373 HD3 LYS 45 2HD LYS 45 -16.209 -1.080 5.491 374 HE2 LYS 45 1HE LYS 45 -17.371 1.219 5.105 375 HE3 LYS 45 2HE LYS 45 -18.623 0.621 6.213 376 HZ1 LYS 45 3HZ LYS 45 -17.045 1.854 7.447 377 HZ2 LYS 45 1HZ LYS 45 -15.766 1.105 6.742 378 HZ3 LYS 45 2HZ LYS 45 -16.724 0.271 7.816 379 H LEU 46 H LEU 46 -14.289 -3.235 1.184 380 HA LEU 46 HA LEU 46 -13.783 -1.024 -0.742 381 HB2 LEU 46 1HB LEU 46 -12.117 -3.301 0.366 382 HB3 LEU 46 2HB LEU 46 -11.664 -2.533 -1.107 383 HG LEU 46 HG LEU 46 -11.684 -0.241 0.328 384 HD11 LEU 46 1HD1 LEU 46 -12.670 -1.083 2.355 385 HD12 LEU 46 2HD1 LEU 46 -10.932 -0.867 2.667 386 HD13 LEU 46 3HD1 LEU 46 -11.567 -2.479 2.369 387 HD21 LEU 46 3HD2 LEU 46 -9.584 -2.435 0.598 388 HD22 LEU 46 1HD2 LEU 46 -9.352 -0.716 0.978 389 HD23 LEU 46 2HD2 LEU 46 -9.680 -1.204 -0.681 390 H SER 47 H SER 47 -12.926 -1.936 -2.954 391 HA SER 47 HA SER 47 -14.419 -4.362 -3.859 392 HB2 SER 47 1HB SER 47 -15.624 -2.194 -4.401 393 HB3 SER 47 2HB SER 47 -14.196 -1.708 -5.336 394 HG SER 47 HG SER 47 -16.203 -3.274 -6.109 395 H GLU 48 H GLU 48 -13.045 -5.760 -5.131 396 HA GLU 48 HA GLU 48 -10.321 -5.260 -5.104 397 HB2 GLU 48 1HB GLU 48 -11.832 -7.141 -6.932 398 HB3 GLU 48 2HB GLU 48 -10.090 -7.059 -6.786 399 HG2 GLU 48 1HG GLU 48 -10.350 -8.641 -5.244 400 HG3 GLU 48 2HG GLU 48 -10.619 -7.281 -4.161 401 H VAL 49 H VAL 49 -12.540 -4.410 -7.783 402 HA VAL 49 HA VAL 49 -10.611 -3.683 -9.681 403 HB VAL 49 HB VAL 49 -12.963 -3.812 -10.140 404 HG11 VAL 49 1HG1 VAL 49 -14.522 -2.029 -9.593 405 HG12 VAL 49 2HG1 VAL 49 -13.868 -2.779 -8.125 406 HG13 VAL 49 3HG1 VAL 49 -13.236 -1.199 -8.673 407 HG21 VAL 49 3HG2 VAL 49 -11.992 -0.985 -10.743 408 HG22 VAL 49 1HG2 VAL 49 -11.461 -2.434 -11.626 409 HG23 VAL 49 2HG2 VAL 49 -13.158 -1.949 -11.674 410 H GLN 50 H GLN 50 -11.607 -1.831 -6.852 411 HA GLN 50 HA GLN 50 -9.842 0.392 -7.581 412 HB2 GLN 50 1HB GLN 50 -12.023 0.026 -5.766 413 HB3 GLN 50 2HB GLN 50 -10.614 0.388 -4.789 414 HG2 GLN 50 1HG GLN 50 -11.638 2.034 -7.068 415 HG3 GLN 50 2HG GLN 50 -11.732 2.411 -5.312 416 HE21 GLN 50 1HE2 GLN 50 -9.464 2.394 -4.161 417 HE22 GLN 50 2HE2 GLN 50 -8.160 3.060 -5.135 418 H VAL 51 H VAL 51 -9.662 -2.492 -5.500 419 HA VAL 51 HA VAL 51 -7.364 -1.706 -3.950 420 HB VAL 51 HB VAL 51 -8.373 -4.461 -4.729 421 HG11 VAL 51 1HG1 VAL 51 -6.935 -5.276 -2.792 422 HG12 VAL 51 2HG1 VAL 51 -6.083 -4.793 -4.232 423 HG13 VAL 51 3HG1 VAL 51 -6.128 -3.691 -2.822 424 HG21 VAL 51 3HG2 VAL 51 -9.974 -3.484 -3.269 425 HG22 VAL 51 1HG2 VAL 51 -9.020 -4.549 -2.269 426 HG23 VAL 51 2HG2 VAL 51 -8.695 -2.806 -2.193 427 H LYS 52 H LYS 52 -7.721 -3.507 -7.044 428 HA LYS 52 HA LYS 52 -5.083 -4.091 -7.475 429 HB2 LYS 52 1HB LYS 52 -5.675 -4.689 -9.612 430 HB3 LYS 52 2HB LYS 52 -7.240 -4.718 -8.795 431 HG2 LYS 52 1HG LYS 52 -7.445 -2.276 -9.551 432 HG3 LYS 52 2HG LYS 52 -6.077 -2.596 -10.610 433 HD2 LYS 52 1HD LYS 52 -7.387 -4.308 -11.842 434 HD3 LYS 52 2HD LYS 52 -8.721 -4.066 -10.711 435 HE2 LYS 52 1HE LYS 52 -9.374 -2.661 -12.467 436 HE3 LYS 52 2HE LYS 52 -8.613 -1.562 -11.336 437 HZ1 LYS 52 3HZ LYS 52 -6.517 -1.945 -12.761 438 HZ2 LYS 52 1HZ LYS 52 -7.706 -1.013 -13.409 439 HZ3 LYS 52 2HZ LYS 52 -7.550 -2.581 -13.879 440 H ILE 53 H ILE 53 -6.376 -0.852 -7.551 441 HA ILE 53 HA ILE 53 -4.106 0.170 -9.169 442 HB ILE 53 HB ILE 53 -6.628 1.502 -8.165 443 HG12 ILE 53 1HG1 ILE 53 -6.127 1.149 -11.121 444 HG13 ILE 53 2HG1 ILE 53 -6.527 -0.311 -10.252 445 HG21 ILE 53 1HG2 ILE 53 -6.000 3.306 -9.838 446 HG22 ILE 53 2HG2 ILE 53 -4.913 3.199 -8.451 447 HG23 ILE 53 3HG2 ILE 53 -4.405 2.515 -9.993 448 HD11 ILE 53 3HD1 ILE 53 -8.585 0.643 -11.065 449 HD12 ILE 53 1HD1 ILE 53 -8.549 0.792 -9.300 450 HD13 ILE 53 2HD1 ILE 53 -8.213 2.220 -10.307 451 H TRP 54 H TRP 54 -5.194 -0.100 -5.812 452 HA TRP 54 HA TRP 54 -3.735 2.060 -4.673 453 HB2 TRP 54 1HB TRP 54 -5.419 0.568 -3.555 454 HB3 TRP 54 2HB TRP 54 -4.230 -0.723 -3.550 455 HD1 TRP 54 HD TRP 54 -4.713 2.810 -2.058 456 HE1 TRP 54 1HE TRP 54 -3.729 2.848 0.301 457 HE3 TRP 54 3HE TRP 54 -2.498 -1.794 -2.048 458 HZ2 TRP 54 2HZ TRP 54 -2.350 1.020 2.064 459 HZ3 TRP 54 3HZ TRP 54 -1.474 -2.679 0.046 460 HH2 TRP 54 HH TRP 54 -1.419 -1.287 2.100 461 H PHE 55 H PHE 55 -2.792 -1.150 -5.824 462 HA PHE 55 HA PHE 55 -0.105 -1.125 -4.921 463 HB2 PHE 55 1HB PHE 55 -1.137 -2.446 -7.451 464 HB3 PHE 55 2HB PHE 55 0.286 -2.902 -6.509 465 HD1 PHE 55 2HD PHE 55 -0.469 -3.079 -3.765 466 HD2 PHE 55 1HD PHE 55 -2.894 -4.003 -7.208 467 HE1 PHE 55 2HE PHE 55 -2.042 -4.315 -2.343 468 HE2 PHE 55 1HE PHE 55 -4.460 -5.243 -5.766 469 HZ PHE 55 HZ PHE 55 -4.033 -5.378 -3.292 470 H GLN 56 H GLN 56 -1.534 0.079 -8.014 471 HA GLN 56 HA GLN 56 0.893 0.947 -9.223 472 HB2 GLN 56 1HB GLN 56 -1.985 1.829 -9.549 473 HB3 GLN 56 2HB GLN 56 -0.698 2.730 -10.265 474 HG2 GLN 56 1HG GLN 56 -0.949 1.452 -12.048 475 HG3 GLN 56 2HG GLN 56 0.010 0.257 -11.173 476 HE21 GLN 56 1HE2 GLN 56 -1.104 -1.489 -10.093 477 HE22 GLN 56 2HE2 GLN 56 -2.824 -1.716 -10.199 478 H ASN 57 H ASN 57 -1.050 2.440 -6.660 479 HA ASN 57 HA ASN 57 0.281 5.022 -6.849 480 HB2 ASN 57 1HB ASN 57 -0.962 3.762 -4.353 481 HB3 ASN 57 2HB ASN 57 -0.514 5.427 -4.550 482 HD21 ASN 57 1HD2 ASN 57 -2.037 4.478 -7.481 483 HD22 ASN 57 2HD2 ASN 57 -3.666 4.941 -7.034 484 H ARG 58 H ARG 58 0.847 2.172 -4.724 485 HA ARG 58 HA ARG 58 3.258 3.263 -3.617 486 HB2 ARG 58 1HB ARG 58 1.587 1.303 -2.800 487 HB3 ARG 58 2HB ARG 58 2.706 0.311 -3.700 488 HG2 ARG 58 1HG ARG 58 3.962 0.217 -1.878 489 HG3 ARG 58 2HG ARG 58 4.359 1.928 -2.036 490 HD2 ARG 58 1HD ARG 58 1.853 0.940 -0.613 491 HD3 ARG 58 2HD ARG 58 3.413 0.979 0.182 492 HE ARG 58 HE ARG 58 1.813 3.312 -0.734 493 HH11 ARG 58 1HH1 ARG 58 4.332 2.073 1.481 494 HH12 ARG 58 2HH1 ARG 58 4.726 3.673 2.045 495 HH21 ARG 58 1HH2 ARG 58 2.068 5.246 0.384 496 HH22 ARG 58 2HH2 ARG 58 3.109 5.271 1.787 497 H ARG 59 H ARG 59 2.834 2.235 -6.802 498 HA ARG 59 HA ARG 59 5.268 0.572 -6.993 499 HB2 ARG 59 1HB ARG 59 3.269 1.523 -9.068 500 HB3 ARG 59 2HB ARG 59 4.777 0.770 -9.527 501 HG2 ARG 59 1HG ARG 59 3.770 -0.972 -7.551 502 HG3 ARG 59 2HG ARG 59 2.368 -0.540 -8.511 503 HD2 ARG 59 1HD ARG 59 4.976 -1.536 -9.694 504 HD3 ARG 59 2HD ARG 59 3.627 -2.581 -9.248 505 HE ARG 59 HE ARG 59 2.241 -1.136 -10.817 506 HH11 ARG 59 1HH1 ARG 59 5.573 -2.285 -11.455 507 HH12 ARG 59 2HH1 ARG 59 5.344 -2.279 -13.183 508 HH21 ARG 59 1HH2 ARG 59 2.033 -1.186 -13.232 509 HH22 ARG 59 2HH2 ARG 59 3.427 -1.744 -14.092 510 H ALA 60 H ALA 60 4.842 3.933 -6.938 511 HA ALA 60 HA ALA 60 7.248 4.409 -8.631 512 HB1 ALA 60 1HB ALA 60 6.675 6.780 -8.325 513 HB2 ALA 60 2HB ALA 60 5.297 5.846 -8.977 514 HB3 ALA 60 3HB ALA 60 5.328 6.316 -7.254 515 H LYS 61 H LYS 61 6.440 4.020 -5.234 516 HA LYS 61 HA LYS 61 8.114 5.652 -3.865 517 HB2 LYS 61 1HB LYS 61 6.621 3.888 -2.862 518 HB3 LYS 61 2HB LYS 61 7.760 2.640 -3.434 519 HG2 LYS 61 1HG LYS 61 9.517 3.991 -2.007 520 HG3 LYS 61 2HG LYS 61 8.115 4.677 -1.190 521 HD2 LYS 61 1HD LYS 61 7.463 2.507 -0.396 522 HD3 LYS 61 2HD LYS 61 8.541 1.679 -1.554 523 HE2 LYS 61 1HE LYS 61 10.532 2.462 -0.421 524 HE3 LYS 61 2HE LYS 61 9.571 3.482 0.663 525 HZ1 LYS 61 3HZ LYS 61 8.667 1.581 1.691 526 HZ2 LYS 61 1HZ LYS 61 10.263 1.404 1.709 527 HZ3 LYS 61 2HZ LYS 61 9.334 0.530 0.629 528 H TRP 62 H TRP 62 9.240 2.384 -5.010 529 HA TRP 62 HA TRP 62 11.851 2.912 -3.991 530 HB2 TRP 62 1HB TRP 62 11.367 1.004 -6.275 531 HB3 TRP 62 2HB TRP 62 12.581 0.926 -5.013 532 HD1 TRP 62 HD TRP 62 11.298 0.603 -2.389 533 HE1 TRP 62 1HE TRP 62 9.336 -0.940 -1.802 534 HE3 TRP 62 3HE TRP 62 9.476 -0.166 -7.022 535 HZ2 TRP 62 2HZ TRP 62 7.429 -2.661 -3.261 536 HZ3 TRP 62 3HZ TRP 62 7.596 -1.725 -7.461 537 HH2 TRP 62 HH TRP 62 6.564 -2.972 -5.549 538 H LYS 63 H LYS 63 10.352 3.696 -7.081 539 HA LYS 63 HA LYS 63 12.762 4.444 -8.493 540 HB2 LYS 63 1HB LYS 63 9.764 4.659 -8.903 541 HB3 LYS 63 2HB LYS 63 10.748 5.860 -9.680 542 HG2 LYS 63 1HG LYS 63 10.525 4.210 -11.299 543 HG3 LYS 63 2HG LYS 63 12.152 3.943 -10.661 544 HD2 LYS 63 1HD LYS 63 11.283 2.048 -9.286 545 HD3 LYS 63 2HD LYS 63 9.643 2.398 -9.833 546 HE2 LYS 63 1HE LYS 63 10.351 0.601 -11.186 547 HE3 LYS 63 2HE LYS 63 10.431 2.026 -12.226 548 HZ1 LYS 63 3HZ LYS 63 12.329 0.508 -12.380 549 HZ2 LYS 63 1HZ LYS 63 12.758 0.833 -10.828 550 HZ3 LYS 63 2HZ LYS 63 12.806 2.033 -11.974 551 H ARG 64 H ARG 64 10.262 6.442 -6.676 552 HA ARG 64 HA ARG 64 11.740 8.809 -7.179 553 HB2 ARG 64 1HB ARG 64 10.212 9.969 -5.976 554 HB3 ARG 64 2HB ARG 64 9.312 8.615 -6.648 555 HG2 ARG 64 1HG ARG 64 8.555 8.350 -4.580 556 HG3 ARG 64 2HG ARG 64 10.103 7.512 -4.430 557 HD2 ARG 64 1HD ARG 64 11.096 9.288 -3.187 558 HD3 ARG 64 2HD ARG 64 9.835 10.435 -3.683 559 HE ARG 64 HE ARG 64 8.384 8.556 -2.415 560 HH11 ARG 64 1HH1 ARG 64 11.273 10.318 -1.256 561 HH12 ARG 64 2HH1 ARG 64 10.758 10.308 0.377 562 HH21 ARG 64 1HH2 ARG 64 7.726 8.552 -0.329 563 HH22 ARG 64 2HH2 ARG 64 8.585 9.357 0.939 564 H ILE 65 H ILE 65 12.128 6.390 -4.711 565 HA ILE 65 HA ILE 65 13.998 7.945 -3.107 566 HB ILE 65 HB ILE 65 13.293 4.987 -3.279 567 HG12 ILE 65 1HG1 ILE 65 12.685 7.092 -1.148 568 HG13 ILE 65 2HG1 ILE 65 11.546 6.611 -2.393 569 HG21 ILE 65 1HG2 ILE 65 14.580 4.654 -1.202 570 HG22 ILE 65 2HG2 ILE 65 15.638 5.265 -2.475 571 HG23 ILE 65 3HG2 ILE 65 15.059 6.362 -1.207 572 HD11 ILE 65 3HD1 ILE 65 11.696 4.246 -1.541 573 HD12 ILE 65 1HD1 ILE 65 12.613 4.861 -0.151 574 HD13 ILE 65 2HD1 ILE 65 10.955 5.421 -0.425 575 H LYS 66 H LYS 66 14.274 5.332 -5.602 576 HA LYS 66 HA LYS 66 17.173 5.672 -5.855 577 HB2 LYS 66 1HB LYS 66 15.912 3.506 -5.882 578 HB3 LYS 66 2HB LYS 66 15.329 3.949 -7.504 579 HG2 LYS 66 1HG LYS 66 17.610 3.979 -8.360 580 HG3 LYS 66 2HG LYS 66 18.287 3.866 -6.713 581 HD2 LYS 66 1HD LYS 66 17.378 1.699 -6.371 582 HD3 LYS 66 2HD LYS 66 16.426 1.793 -7.875 583 HE2 LYS 66 1HE LYS 66 18.655 2.039 -9.110 584 HE3 LYS 66 2HE LYS 66 19.453 1.563 -7.607 585 HZ1 LYS 66 3HZ LYS 66 18.176 -0.496 -7.678 586 HZ2 LYS 66 1HZ LYS 66 19.089 -0.344 -9.003 587 HZ3 LYS 66 2HZ LYS 66 17.452 -0.041 -9.098 588 H ALA 67 H ALA 67 16.039 8.069 -6.266 589 HA ALA 67 HA ALA 67 16.399 8.569 -9.162 590 HB1 ALA 67 1HB ALA 67 14.873 10.530 -8.947 591 HB2 ALA 67 2HB ALA 67 13.992 9.019 -8.666 592 HB3 ALA 67 3HB ALA 67 14.478 10.047 -7.299 593 H GLY 68 H GLY 68 17.726 10.302 -9.586 594 HA2 GLY 68 1HA GLY 68 19.349 11.377 -7.385 595 HA3 GLY 68 2HA GLY 68 19.577 11.631 -9.130 596 H ASN 69 H ASN 69 17.964 12.764 -6.210 597 HA ASN 69 HA ASN 69 17.559 15.295 -7.448 598 HB2 ASN 69 1HB ASN 69 15.302 13.726 -7.735 599 HB3 ASN 69 2HB ASN 69 15.021 14.480 -6.168 600 HD21 ASN 69 1HD2 ASN 69 15.369 15.041 -9.627 601 HD22 ASN 69 2HD2 ASN 69 15.062 16.770 -9.579 602 H VAL 70 H VAL 70 16.109 16.571 -5.492 603 HA VAL 70 HA VAL 70 17.734 16.094 -3.055 604 HB VAL 70 HB VAL 70 18.241 18.494 -3.037 605 HG11 VAL 70 1HG1 VAL 70 19.805 16.827 -4.028 606 HG12 VAL 70 2HG1 VAL 70 19.105 17.150 -5.621 607 HG13 VAL 70 3HG1 VAL 70 19.966 18.434 -4.754 608 HG21 VAL 70 3HG2 VAL 70 17.123 18.626 -5.871 609 HG22 VAL 70 1HG2 VAL 70 16.334 19.324 -4.450 610 HG23 VAL 70 2HG2 VAL 70 17.913 19.922 -4.975 611 H SER 71 H SER 71 16.980 17.716 -1.300 612 HA SER 71 HA SER 71 15.586 17.589 0.417 613 HB2 SER 71 1HB SER 71 13.337 18.195 -1.521 614 HB3 SER 71 2HB SER 71 13.280 18.301 0.236 615 HG SER 71 HG SER 71 13.644 20.318 -0.556
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